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 3iap_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIQTHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.082 176.300 -0.363 0.000 0.893 13 R CA 0.000 55.957 56.100 -0.238 0.000 0.921 13 R CB 0.000 30.162 30.300 -0.230 0.000 0.687 14 R N 1.955 122.118 120.500 -0.562 0.000 3.188 14 R HA -0.149 4.190 4.340 -0.002 0.000 0.247 14 R C -0.317 175.442 176.300 -0.901 0.000 0.918 14 R CA 0.858 56.259 56.100 -1.165 0.000 0.629 14 R CB -1.315 28.458 30.300 -0.878 0.000 1.087 14 R HN 0.295 nan 8.270 nan 0.000 0.462 15 D N -0.081 119.956 120.400 -0.605 0.000 2.309 15 D HA -0.165 4.474 4.640 -0.002 0.000 0.212 15 D C 1.613 177.775 176.300 -0.231 0.000 0.968 15 D CA 1.629 55.355 54.000 -0.456 0.000 0.882 15 D CB -0.084 40.273 40.800 -0.738 0.000 0.918 15 D HN 0.729 nan 8.370 nan 0.000 0.503 16 W N 1.196 122.494 121.300 -0.004 0.000 3.180 16 W HA 0.226 4.885 4.660 -0.002 0.000 0.254 16 W C 0.779 177.390 176.519 0.153 0.000 1.318 16 W CA -0.226 57.236 57.345 0.196 0.000 1.608 16 W CB -0.156 29.476 29.460 0.287 0.000 1.124 16 W HN -0.197 nan 8.180 nan 0.000 0.694 17 E N 0.713 120.786 120.200 -0.211 0.000 2.812 17 E HA 0.025 4.374 4.350 -0.002 0.000 0.211 17 E C -0.522 175.915 176.600 -0.272 0.000 0.986 17 E CA -0.175 56.119 56.400 -0.176 0.000 1.119 17 E CB -0.051 29.513 29.700 -0.226 0.000 1.046 17 E HN 0.012 nan 8.360 nan 0.000 0.474 18 N N 1.339 119.910 118.700 -0.215 0.000 2.540 18 N HA 0.149 4.888 4.740 -0.002 0.000 0.275 18 N C -2.171 173.202 175.510 -0.228 0.000 1.053 18 N CA -2.204 50.691 53.050 -0.258 0.000 0.876 18 N CB 1.508 39.846 38.487 -0.248 0.000 1.284 18 N HN -0.200 nan 8.380 nan 0.000 0.518 19 P HA 0.050 nan 4.420 nan 0.000 0.230 19 P C 1.065 178.134 177.300 -0.385 0.000 1.158 19 P CA 0.578 63.389 63.100 -0.483 0.000 0.769 19 P CB 0.186 31.177 31.700 -1.182 0.000 0.807 20 G N -0.163 108.447 108.800 -0.317 0.000 2.511 20 G HA2 0.006 3.965 3.960 -0.002 0.000 0.217 20 G HA3 0.006 3.965 3.960 -0.002 0.000 0.217 20 G C 0.417 175.234 174.900 -0.138 0.000 1.133 20 G CA 0.193 45.157 45.100 -0.226 0.000 0.792 20 G HN 0.211 nan 8.290 nan 0.000 0.539 21 V N 1.843 121.690 119.914 -0.113 0.000 2.293 21 V HA 0.292 4.411 4.120 -0.002 0.000 0.275 21 V C 1.022 177.162 176.094 0.077 0.000 1.021 21 V CA 0.241 62.521 62.300 -0.034 0.000 0.815 21 V CB 0.989 32.761 31.823 -0.085 0.000 1.025 21 V HN 0.348 nan 8.190 nan 0.000 0.448 22 T N 0.860 115.468 114.554 0.089 0.000 3.014 22 T HA 0.286 4.635 4.350 -0.002 0.000 0.250 22 T C 0.360 175.147 174.700 0.145 0.000 1.060 22 T CA 0.163 62.338 62.100 0.126 0.000 1.040 22 T CB 0.302 69.196 68.868 0.043 0.000 0.971 22 T HN 0.669 nan 8.240 nan 0.000 0.497 23 Q N 0.285 120.192 119.800 0.178 0.000 2.578 23 Q HA 0.702 5.041 4.340 -0.002 0.000 0.284 23 Q C -2.140 173.992 176.000 0.220 0.000 0.960 23 Q CA -1.042 54.863 55.803 0.170 0.000 0.809 23 Q CB 1.147 29.901 28.738 0.026 0.000 1.462 23 Q HN 0.241 nan 8.270 nan 0.000 0.392 24 L N 1.917 123.297 121.223 0.261 0.000 2.438 24 L HA 0.593 4.931 4.340 -0.002 0.000 0.270 24 L C -0.590 176.397 176.870 0.196 0.000 0.972 24 L CA -0.889 54.103 54.840 0.253 0.000 0.831 24 L CB 1.884 44.199 42.059 0.427 0.000 1.273 24 L HN 0.842 nan 8.230 nan 0.000 0.405 25 N N 0.813 119.600 118.700 0.145 0.000 2.753 25 N HA -0.212 4.527 4.740 -0.002 0.000 0.251 25 N C 0.220 175.807 175.510 0.129 0.000 1.097 25 N CA 0.817 53.943 53.050 0.126 0.000 0.786 25 N CB -0.804 37.721 38.487 0.063 0.000 1.137 25 N HN 0.661 nan 8.380 nan 0.000 0.566 26 R N 0.875 121.372 120.500 -0.005 0.000 2.438 26 R HA 0.378 4.716 4.340 -0.002 0.000 0.287 26 R C 0.520 176.696 176.300 -0.206 0.000 1.077 26 R CA -0.285 55.609 56.100 -0.344 0.000 1.034 26 R CB 0.519 30.607 30.300 -0.354 0.000 0.993 26 R HN 0.129 nan 8.270 nan 0.000 0.459 27 L N 2.971 124.046 121.223 -0.247 0.000 2.466 27 L HA 0.328 4.667 4.340 -0.002 0.000 0.257 27 L C 0.630 177.455 176.870 -0.074 0.000 1.189 27 L CA -0.605 54.178 54.840 -0.094 0.000 0.813 27 L CB 0.907 42.944 42.059 -0.037 0.000 1.118 27 L HN 0.769 nan 8.230 nan 0.000 0.471 28 A N 1.367 124.184 122.820 -0.004 0.000 2.520 28 A HA 0.459 4.777 4.320 -0.002 0.000 0.235 28 A C 0.314 177.906 177.584 0.012 0.000 1.065 28 A CA 0.048 52.090 52.037 0.009 0.000 0.764 28 A CB 0.101 19.129 19.000 0.048 0.000 1.002 28 A HN 0.790 nan 8.150 nan 0.000 0.502 29 A N 1.442 124.227 122.820 -0.059 0.000 2.332 29 A HA 0.667 4.986 4.320 -0.002 0.000 0.258 29 A C 0.079 177.591 177.584 -0.121 0.000 1.087 29 A CA 0.467 52.399 52.037 -0.174 0.000 0.802 29 A CB -0.076 18.826 19.000 -0.164 0.000 1.042 29 A HN 1.941 nan 8.150 nan 0.000 0.489 30 H N -2.130 116.803 119.070 -0.228 0.000 2.987 30 H HA 0.618 5.172 4.556 -0.002 0.000 0.316 30 H C -3.439 171.606 175.328 -0.471 0.000 1.380 30 H CA -1.856 53.979 56.048 -0.354 0.000 1.160 30 H CB 0.058 29.503 29.762 -0.530 0.000 1.865 30 H HN 0.373 nan 8.280 nan 0.000 0.521 31 P HA 0.185 nan 4.420 nan 0.000 0.272 31 P C -2.566 174.554 177.300 -0.300 0.000 1.240 31 P CA -1.269 61.623 63.100 -0.346 0.000 0.791 31 P CB -0.213 31.188 31.700 -0.497 0.000 0.978 32 P HA 0.022 nan 4.420 nan 0.000 0.261 32 P C -0.843 176.637 177.300 0.300 0.000 1.183 32 P CA 1.013 64.147 63.100 0.057 0.000 0.761 32 P CB -0.126 31.653 31.700 0.132 0.000 0.785 33 F N 1.949 122.007 119.950 0.180 0.000 2.507 33 F HA 0.609 5.135 4.527 -0.002 0.000 0.327 33 F C 1.039 176.784 175.800 -0.093 0.000 1.068 33 F CA -1.390 56.658 58.000 0.080 0.000 0.965 33 F CB 1.281 40.282 39.000 0.001 0.000 1.192 33 F HN 0.305 nan 8.300 nan 0.000 0.476 34 A N 0.305 123.061 122.820 -0.107 0.000 2.377 34 A HA 0.311 4.630 4.320 -0.002 0.000 0.209 34 A C 0.687 177.966 177.584 -0.509 0.000 1.359 34 A CA 0.640 52.361 52.037 -0.528 0.000 1.026 34 A CB -0.323 17.843 19.000 -1.391 0.000 1.224 34 A HN 0.868 nan 8.150 nan 0.000 0.528 35 S N 0.407 115.914 115.700 -0.321 0.000 3.608 35 S HA -0.141 4.327 4.470 -0.002 0.000 0.382 35 S C -0.111 174.394 174.600 -0.158 0.000 0.945 35 S CA 0.348 58.422 58.200 -0.211 0.000 1.256 35 S CB -1.648 61.437 63.200 -0.193 0.000 0.913 35 S HN 0.449 nan 8.310 nan 0.000 0.518 36 W N 2.192 123.469 121.300 -0.037 0.000 2.170 36 W HA 0.224 4.883 4.660 -0.002 0.000 0.342 36 W C 1.394 177.886 176.519 -0.045 0.000 1.294 36 W CA -0.505 56.822 57.345 -0.031 0.000 1.246 36 W CB 0.239 29.681 29.460 -0.029 0.000 1.156 36 W HN 0.392 nan 8.180 nan 0.000 0.572 37 R N 1.846 122.463 120.500 0.194 0.000 2.543 37 R HA 0.080 4.419 4.340 -0.002 0.000 0.323 37 R C -0.036 176.313 176.300 0.081 0.000 1.002 37 R CA -0.081 56.075 56.100 0.093 0.000 1.106 37 R CB -0.017 30.307 30.300 0.039 0.000 1.280 37 R HN 0.374 nan 8.270 nan 0.000 0.549 38 N N 0.058 118.823 118.700 0.108 0.000 2.454 38 N HA 0.117 4.856 4.740 -0.002 0.000 0.291 38 N C -0.127 175.364 175.510 -0.031 0.000 1.079 38 N CA -0.013 53.056 53.050 0.033 0.000 0.893 38 N CB 1.903 40.408 38.487 0.030 0.000 1.512 38 N HN -0.266 nan 8.380 nan 0.000 0.497 39 S N 2.254 117.913 115.700 -0.069 0.000 2.402 39 S HA -0.144 4.325 4.470 -0.002 0.000 0.229 39 S C 1.384 175.828 174.600 -0.261 0.000 1.021 39 S CA 1.048 59.167 58.200 -0.135 0.000 0.974 39 S CB 0.050 63.198 63.200 -0.087 0.000 0.800 39 S HN 0.738 nan 8.310 nan 0.000 0.484 40 E N 1.560 121.620 120.200 -0.233 0.000 2.107 40 E HA -0.114 4.235 4.350 -0.002 0.000 0.191 40 E C 1.876 178.267 176.600 -0.348 0.000 0.982 40 E CA 1.013 57.234 56.400 -0.298 0.000 0.809 40 E CB -0.102 29.476 29.700 -0.204 0.000 0.756 40 E HN 0.255 nan 8.360 nan 0.000 0.459 41 E N 0.382 120.398 120.200 -0.307 0.000 2.077 41 E HA -0.177 4.172 4.350 -0.002 0.000 0.193 41 E C 2.022 178.056 176.600 -0.943 0.000 0.989 41 E CA 1.187 57.364 56.400 -0.372 0.000 0.800 41 E CB -0.613 29.038 29.700 -0.082 0.000 0.746 41 E HN 0.384 nan 8.360 nan 0.000 0.452 42 A N 1.659 123.723 122.820 -1.261 0.000 1.883 42 A HA -0.221 4.097 4.320 -0.002 0.000 0.217 42 A C 2.265 179.249 177.584 -1.001 0.000 1.186 42 A CA 1.841 52.839 52.037 -1.731 0.000 0.624 42 A CB -0.574 17.925 19.000 -0.836 0.000 0.822 42 A HN 0.156 nan 8.150 nan 0.000 0.444 43 R N -0.380 119.717 120.500 -0.672 0.000 2.083 43 R HA -0.153 4.186 4.340 -0.002 0.000 0.237 43 R C 2.117 178.147 176.300 -0.450 0.000 1.137 43 R CA 2.205 57.956 56.100 -0.582 0.000 0.951 43 R CB -0.531 29.294 30.300 -0.793 0.000 0.851 43 R HN 0.657 nan 8.270 nan 0.000 0.434 44 T N -2.556 111.749 114.554 -0.415 0.000 3.148 44 T HA -0.006 4.343 4.350 -0.002 0.000 0.253 44 T C 0.357 174.948 174.700 -0.182 0.000 1.134 44 T CA 0.635 62.581 62.100 -0.257 0.000 1.051 44 T CB -0.042 68.706 68.868 -0.201 0.000 0.959 44 T HN 0.400 nan 8.240 nan 0.000 0.525 45 D N 0.784 121.018 120.400 -0.277 0.000 2.772 45 D HA -0.166 4.472 4.640 -0.002 0.000 0.233 45 D C 0.032 176.414 176.300 0.137 0.000 1.143 45 D CA 0.434 54.394 54.000 -0.068 0.000 0.700 45 D CB -1.127 39.699 40.800 0.043 0.000 1.076 45 D HN 0.582 nan 8.370 nan 0.000 0.430 46 R N -0.072 120.484 120.500 0.095 0.000 2.577 46 R HA 0.459 4.798 4.340 -0.002 0.000 0.269 46 R C -2.098 174.440 176.300 0.398 0.000 1.084 46 R CA -1.446 54.768 56.100 0.189 0.000 1.163 46 R CB 0.265 30.622 30.300 0.094 0.000 1.100 46 R HN 0.066 nan 8.270 nan 0.000 0.547 47 P HA -0.071 nan 4.420 nan 0.000 0.264 47 P C -0.795 176.655 177.300 0.250 0.000 1.183 47 P CA 0.465 63.700 63.100 0.224 0.000 0.763 47 P CB 0.664 32.449 31.700 0.142 0.000 0.807 48 S N 1.980 117.729 115.700 0.080 0.000 2.462 48 S HA 0.115 4.584 4.470 -0.002 0.000 0.294 48 S C 0.993 175.596 174.600 0.004 0.000 1.144 48 S CA -0.539 57.617 58.200 -0.075 0.000 1.088 48 S CB 0.381 63.202 63.200 -0.631 0.000 1.009 48 S HN 0.254 nan 8.310 nan 0.000 0.484 49 Q N 2.742 122.575 119.800 0.056 0.000 2.436 49 Q HA -0.004 4.335 4.340 -0.002 0.000 0.209 49 Q C 0.829 176.927 176.000 0.164 0.000 0.965 49 Q CA 1.019 56.891 55.803 0.115 0.000 0.910 49 Q CB -0.012 28.793 28.738 0.112 0.000 0.980 49 Q HN 0.690 nan 8.270 nan 0.000 0.491 50 Q N -0.406 119.403 119.800 0.014 0.000 2.360 50 Q HA 0.126 4.465 4.340 -0.002 0.000 0.202 50 Q C -0.314 175.709 176.000 0.039 0.000 0.915 50 Q CA 0.092 55.834 55.803 -0.101 0.000 0.943 50 Q CB 0.533 29.136 28.738 -0.225 0.000 1.064 50 Q HN 0.021 nan 8.270 nan 0.000 0.511 51 L N 0.959 122.235 121.223 0.088 0.000 2.353 51 L HA 0.419 4.758 4.340 -0.002 0.000 0.270 51 L C -1.135 175.830 176.870 0.158 0.000 1.003 51 L CA -0.367 54.539 54.840 0.111 0.000 0.862 51 L CB 0.898 42.937 42.059 -0.035 0.000 1.221 51 L HN -0.114 nan 8.230 nan 0.000 0.430 52 R N 2.483 123.117 120.500 0.223 0.000 2.368 52 R HA 0.504 4.843 4.340 -0.002 0.000 0.302 52 R C -0.288 176.036 176.300 0.040 0.000 1.002 52 R CA -0.540 55.625 56.100 0.107 0.000 0.929 52 R CB 1.753 32.066 30.300 0.021 0.000 1.073 52 R HN 0.659 nan 8.270 nan 0.000 0.464 53 S N 2.624 118.338 115.700 0.022 0.000 2.537 53 S HA 0.239 4.707 4.470 -0.002 0.000 0.275 53 S C 0.631 175.227 174.600 -0.007 0.000 1.272 53 S CA -0.614 57.590 58.200 0.006 0.000 1.050 53 S CB 0.472 63.686 63.200 0.023 0.000 0.961 53 S HN 0.554 nan 8.310 nan 0.000 0.496 54 L N 3.746 124.963 121.223 -0.010 0.000 2.910 54 L HA 0.318 4.657 4.340 -0.002 0.000 0.252 54 L C 0.079 177.091 176.870 0.237 0.000 1.195 54 L CA -0.452 54.407 54.840 0.032 0.000 1.003 54 L CB -0.303 41.712 42.059 -0.073 0.000 1.328 54 L HN 0.493 nan 8.230 nan 0.000 0.540 55 N N 1.386 120.167 118.700 0.135 0.000 2.453 55 N HA 0.516 5.255 4.740 -0.002 0.000 0.253 55 N C 0.678 176.300 175.510 0.187 0.000 1.252 55 N CA 0.961 54.092 53.050 0.135 0.000 0.917 55 N CB 1.274 39.783 38.487 0.035 0.000 1.117 55 N HN 0.308 nan 8.380 nan 0.000 0.442 56 G N 0.371 109.298 108.800 0.211 0.000 2.236 56 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.231 56 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.231 56 G C -1.495 173.601 174.900 0.327 0.000 1.334 56 G CA -0.822 44.402 45.100 0.206 0.000 1.137 56 G HN 0.472 nan 8.290 nan 0.000 0.482 57 E N 0.209 120.568 120.200 0.265 0.000 2.180 57 E HA 0.413 4.762 4.350 -0.002 0.000 0.283 57 E C -0.894 175.928 176.600 0.370 0.000 1.061 57 E CA -0.028 56.536 56.400 0.273 0.000 0.861 57 E CB 0.813 30.603 29.700 0.151 0.000 1.056 57 E HN 0.340 nan 8.360 nan 0.000 0.407 58 W N 1.852 123.234 121.300 0.137 0.000 2.804 58 W HA 0.381 5.040 4.660 -0.002 0.000 0.352 58 W C 0.308 176.953 176.519 0.209 0.000 1.153 58 W CA -0.709 56.751 57.345 0.193 0.000 1.119 58 W CB 0.791 30.419 29.460 0.281 0.000 1.448 58 W HN 0.194 nan 8.180 nan 0.000 0.600 59 R N 1.378 122.155 120.500 0.461 0.000 2.540 59 R HA 0.594 4.933 4.340 -0.002 0.000 0.287 59 R C -1.508 175.056 176.300 0.440 0.000 0.980 59 R CA -0.925 55.392 56.100 0.362 0.000 0.966 59 R CB 1.282 31.733 30.300 0.252 0.000 1.106 59 R HN 0.465 nan 8.270 nan 0.000 0.480 60 F N 0.310 120.314 119.950 0.089 0.000 2.574 60 F HA 0.595 5.121 4.527 -0.002 0.000 0.313 60 F C -1.518 174.153 175.800 -0.216 0.000 1.130 60 F CA -0.606 57.301 58.000 -0.154 0.000 0.936 60 F CB 1.913 40.715 39.000 -0.330 0.000 1.219 60 F HN 0.622 nan 8.300 nan 0.000 0.445 61 A N 4.859 127.012 122.820 -1.111 0.000 2.393 61 A HA 0.581 4.900 4.320 -0.002 0.000 0.306 61 A C -2.248 174.385 177.584 -1.584 0.000 1.050 61 A CA -0.546 50.851 52.037 -1.067 0.000 0.724 61 A CB 0.719 19.367 19.000 -0.586 0.000 1.248 61 A HN 0.931 nan 8.150 nan 0.000 0.424 62 W N 2.585 122.989 121.300 -1.494 0.000 2.438 62 W HA 0.730 5.389 4.660 -0.002 0.000 0.324 62 W C -1.677 174.160 176.519 -1.136 0.000 1.119 62 W CA -0.215 56.409 57.345 -1.201 0.000 1.221 62 W CB 0.930 29.981 29.460 -0.683 0.000 1.253 62 W HN 0.492 nan 8.180 nan 0.000 0.555 63 F N 6.025 125.240 119.950 -1.226 0.000 2.588 63 F HA 0.333 4.859 4.527 -0.002 0.000 0.310 63 F C -1.279 173.611 175.800 -1.517 0.000 1.082 63 F CA -2.071 55.322 58.000 -1.012 0.000 0.929 63 F CB 2.030 40.619 39.000 -0.684 0.000 1.254 63 F HN 0.214 nan 8.300 nan 0.000 0.455 64 P HA 0.087 nan 4.420 nan 0.000 0.225 64 P C -0.312 176.841 177.300 -0.245 0.000 1.156 64 P CA 0.861 63.678 63.100 -0.471 0.000 0.787 64 P CB 0.725 32.413 31.700 -0.020 0.000 0.802 65 A N -0.529 122.159 122.820 -0.220 0.000 2.605 65 A HA 0.517 4.836 4.320 -0.002 0.000 0.294 65 A C -2.397 175.066 177.584 -0.202 0.000 1.062 65 A CA -1.073 50.883 52.037 -0.136 0.000 0.682 65 A CB 0.531 19.518 19.000 -0.023 0.000 1.278 65 A HN -0.279 nan 8.150 nan 0.000 0.410 66 P HA -0.139 nan 4.420 nan 0.000 0.219 66 P C 0.659 177.853 177.300 -0.177 0.000 1.146 66 P CA 1.484 64.435 63.100 -0.248 0.000 0.808 66 P CB 0.281 31.793 31.700 -0.314 0.000 0.779 67 E N 0.306 120.458 120.200 -0.080 0.000 2.268 67 E HA -0.038 4.311 4.350 -0.002 0.000 0.195 67 E C 2.114 178.629 176.600 -0.142 0.000 0.995 67 E CA 1.168 57.531 56.400 -0.062 0.000 0.836 67 E CB -0.896 28.807 29.700 0.005 0.000 0.763 67 E HN 0.238 nan 8.360 nan 0.000 0.491 68 A N 0.491 123.192 122.820 -0.199 0.000 2.206 68 A HA 0.055 4.374 4.320 -0.002 0.000 0.211 68 A C 0.757 177.999 177.584 -0.571 0.000 1.158 68 A CA -0.010 51.891 52.037 -0.227 0.000 0.761 68 A CB 0.117 19.075 19.000 -0.070 0.000 0.801 68 A HN 0.045 nan 8.150 nan 0.000 0.473 69 V N 3.416 122.872 119.914 -0.764 0.000 2.470 69 V HA 0.183 4.302 4.120 -0.002 0.000 0.276 69 V C -1.869 173.881 176.094 -0.574 0.000 1.040 69 V CA -1.392 60.249 62.300 -1.099 0.000 1.008 69 V CB 0.447 31.719 31.823 -0.919 0.000 0.990 69 V HN 0.387 nan 8.190 nan 0.000 0.477 70 P HA 0.156 nan 4.420 nan 0.000 0.275 70 P C 0.616 177.850 177.300 -0.111 0.000 1.228 70 P CA -0.306 62.677 63.100 -0.196 0.000 0.786 70 P CB 1.233 32.875 31.700 -0.097 0.000 0.927 71 E N 1.244 121.397 120.200 -0.079 0.000 2.204 71 E HA -0.153 4.196 4.350 -0.002 0.000 0.195 71 E C 1.591 178.163 176.600 -0.048 0.000 0.990 71 E CA 1.394 57.753 56.400 -0.069 0.000 0.821 71 E CB 0.038 29.704 29.700 -0.058 0.000 0.750 71 E HN 0.536 nan 8.360 nan 0.000 0.477 72 S N -0.148 115.544 115.700 -0.013 0.000 2.419 72 S HA -0.185 4.284 4.470 -0.002 0.000 0.233 72 S C 1.644 176.254 174.600 0.017 0.000 1.016 72 S CA 0.752 58.950 58.200 -0.002 0.000 0.974 72 S CB -0.786 62.424 63.200 0.017 0.000 0.786 72 S HN 0.577 nan 8.310 nan 0.000 0.492 73 W N 2.544 123.759 121.300 -0.142 0.000 2.350 73 W HA 0.029 4.687 4.660 -0.002 0.000 0.289 73 W C 1.582 177.998 176.519 -0.171 0.000 1.215 73 W CA 0.901 58.164 57.345 -0.137 0.000 1.236 73 W CB -0.345 29.016 29.460 -0.165 0.000 1.130 73 W HN 0.251 nan 8.180 nan 0.000 0.541 74 L N 0.278 121.280 121.223 -0.368 0.000 2.083 74 L HA -0.184 4.155 4.340 -0.002 0.000 0.209 74 L C 2.445 179.074 176.870 -0.402 0.000 1.083 74 L CA 1.360 55.832 54.840 -0.613 0.000 0.752 74 L CB -0.715 41.016 42.059 -0.546 0.000 0.899 74 L HN -0.027 nan 8.230 nan 0.000 0.433 75 E N -0.839 119.217 120.200 -0.241 0.000 2.201 75 E HA 0.043 4.392 4.350 -0.002 0.000 0.193 75 E C 0.546 177.068 176.600 -0.131 0.000 0.957 75 E CA 0.625 56.936 56.400 -0.147 0.000 0.858 75 E CB 0.581 30.230 29.700 -0.085 0.000 0.816 75 E HN 0.526 nan 8.360 nan 0.000 0.475 76 C N -0.349 118.876 119.300 -0.125 0.000 3.173 76 C HA 0.547 5.005 4.460 -0.002 0.000 0.310 76 C C -0.202 174.761 174.990 -0.046 0.000 1.306 76 C CA -1.535 57.436 59.018 -0.078 0.000 1.426 76 C CB 1.170 28.889 27.740 -0.036 0.000 1.800 76 C HN 0.070 nan 8.230 nan 0.000 0.470 77 D N 0.660 121.055 120.400 -0.009 0.000 2.488 77 D HA 0.306 4.944 4.640 -0.002 0.000 0.238 77 D C -0.202 176.160 176.300 0.103 0.000 1.138 77 D CA 0.310 54.346 54.000 0.059 0.000 0.873 77 D CB 0.493 41.324 40.800 0.052 0.000 1.183 77 D HN 0.581 nan 8.370 nan 0.000 0.458 78 L N 6.317 127.648 121.223 0.181 0.000 2.360 78 L HA 0.217 4.556 4.340 -0.002 0.000 0.276 78 L C -0.993 175.935 176.870 0.097 0.000 1.121 78 L CA -1.364 53.568 54.840 0.152 0.000 0.845 78 L CB 1.103 43.278 42.059 0.193 0.000 1.143 78 L HN 0.529 nan 8.230 nan 0.000 0.452 79 P HA -0.180 nan 4.420 nan 0.000 0.218 79 P C 0.662 177.988 177.300 0.044 0.000 1.148 79 P CA 1.263 64.393 63.100 0.051 0.000 0.822 79 P CB 0.279 32.002 31.700 0.039 0.000 0.784 80 E N 0.157 120.380 120.200 0.038 0.000 2.427 80 E HA 0.149 4.498 4.350 -0.002 0.000 0.196 80 E C 1.139 177.745 176.600 0.010 0.000 1.028 80 E CA 0.156 56.566 56.400 0.015 0.000 0.864 80 E CB -0.720 28.975 29.700 -0.008 0.000 0.813 80 E HN 0.246 nan 8.360 nan 0.000 0.514 81 A N 1.381 124.218 122.820 0.027 0.000 2.445 81 A HA 0.128 4.447 4.320 -0.002 0.000 0.242 81 A C -0.102 177.534 177.584 0.086 0.000 1.075 81 A CA -0.248 51.809 52.037 0.033 0.000 0.777 81 A CB 0.312 19.359 19.000 0.078 0.000 1.013 81 A HN -0.055 nan 8.150 nan 0.000 0.493 82 D N 0.182 120.664 120.400 0.137 0.000 2.326 82 D HA 0.478 5.117 4.640 -0.002 0.000 0.248 82 D C -0.430 175.986 176.300 0.194 0.000 1.001 82 D CA 0.062 54.167 54.000 0.175 0.000 0.961 82 D CB 1.354 42.308 40.800 0.256 0.000 1.183 82 D HN 0.407 nan 8.370 nan 0.000 0.502 83 T N 0.623 115.270 114.554 0.155 0.000 2.743 83 T HA 0.469 4.818 4.350 -0.002 0.000 0.293 83 T C 0.137 174.919 174.700 0.135 0.000 0.945 83 T CA -0.555 61.640 62.100 0.158 0.000 1.030 83 T CB 0.529 69.466 68.868 0.114 0.000 0.912 83 T HN 0.241 nan 8.240 nan 0.000 0.483 84 V N 1.364 121.388 119.914 0.182 0.000 3.001 84 V HA 0.763 4.882 4.120 -0.002 0.000 0.314 84 V C -0.186 176.006 176.094 0.162 0.000 1.099 84 V CA -1.108 61.247 62.300 0.092 0.000 0.989 84 V CB 1.689 33.562 31.823 0.085 0.000 1.040 84 V HN 0.509 nan 8.190 nan 0.000 0.434 85 V N 2.837 122.806 119.914 0.092 0.000 2.555 85 V HA 0.400 4.519 4.120 -0.002 0.000 0.286 85 V C 0.177 176.332 176.094 0.102 0.000 1.044 85 V CA -0.029 62.340 62.300 0.115 0.000 1.026 85 V CB 1.198 33.059 31.823 0.064 0.000 0.981 85 V HN 0.735 nan 8.190 nan 0.000 0.480 86 V N 7.683 127.596 119.914 -0.002 0.000 2.495 86 V HA 0.437 4.556 4.120 -0.002 0.000 0.298 86 V C -2.134 173.850 176.094 -0.183 0.000 1.031 86 V CA -1.823 60.332 62.300 -0.241 0.000 0.871 86 V CB 2.360 33.666 31.823 -0.862 0.000 0.988 86 V HN 0.760 nan 8.190 nan 0.000 0.432 87 P HA 0.308 nan 4.420 nan 0.000 0.271 87 P C -0.726 176.515 177.300 -0.098 0.000 1.218 87 P CA 0.066 63.050 63.100 -0.192 0.000 0.780 87 P CB 1.172 32.774 31.700 -0.163 0.000 0.901 88 S N 0.657 116.311 115.700 -0.077 0.000 2.578 88 S HA 0.385 4.854 4.470 -0.002 0.000 0.272 88 S C -1.195 173.351 174.600 -0.091 0.000 1.145 88 S CA -1.066 57.099 58.200 -0.059 0.000 0.835 88 S CB 0.405 63.621 63.200 0.025 0.000 1.104 88 S HN 0.354 nan 8.310 nan 0.000 0.458 89 N N 1.176 119.756 118.700 -0.199 0.000 2.426 89 N HA 0.416 5.155 4.740 -0.002 0.000 0.275 89 N C 0.537 175.850 175.510 -0.328 0.000 1.019 89 N CA -0.790 52.086 53.050 -0.289 0.000 0.941 89 N CB 0.577 38.858 38.487 -0.344 0.000 1.123 89 N HN 0.869 nan 8.380 nan 0.000 0.486 90 W N 2.239 123.399 121.300 -0.234 0.000 2.525 90 W HA -0.016 4.643 4.660 -0.002 0.000 0.259 90 W C 0.893 177.364 176.519 -0.081 0.000 1.253 90 W CA 0.508 57.695 57.345 -0.263 0.000 1.262 90 W CB -0.400 28.853 29.460 -0.346 0.000 1.122 90 W HN 0.499 nan 8.180 nan 0.000 0.607 91 Q N 0.548 120.326 119.800 -0.036 0.000 2.224 91 Q HA -0.097 4.242 4.340 -0.002 0.000 0.203 91 Q C 2.102 178.034 176.000 -0.113 0.000 0.970 91 Q CA 1.682 57.463 55.803 -0.038 0.000 0.865 91 Q CB -0.512 28.096 28.738 -0.218 0.000 0.922 91 Q HN 0.265 nan 8.270 nan 0.000 0.445 92 M N -0.807 118.661 119.600 -0.220 0.000 2.619 92 M HA -0.005 4.473 4.480 -0.002 0.000 0.251 92 M C 0.449 176.713 176.300 -0.060 0.000 1.106 92 M CA 1.217 56.394 55.300 -0.205 0.000 1.086 92 M CB -0.488 31.957 32.600 -0.259 0.000 1.465 92 M HN 0.366 nan 8.290 nan 0.000 0.506 93 H N -0.791 118.318 119.070 0.066 0.000 2.652 93 H HA 0.361 4.916 4.556 -0.002 0.000 0.274 93 H C 1.042 176.311 175.328 -0.099 0.000 1.021 93 H CA 0.051 56.127 56.048 0.048 0.000 1.187 93 H CB 0.404 30.278 29.762 0.187 0.000 1.505 93 H HN 0.511 nan 8.280 nan 0.000 0.530 94 G N 0.716 109.536 108.800 0.033 0.000 2.212 94 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.255 94 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.255 94 G C 0.078 174.844 174.900 -0.224 0.000 1.062 94 G CA 0.207 45.258 45.100 -0.081 0.000 0.815 94 G HN 0.491 nan 8.290 nan 0.000 0.497 95 Y N 0.878 121.168 120.300 -0.017 0.000 2.347 95 Y HA 0.267 4.816 4.550 -0.002 0.000 0.294 95 Y C 1.575 177.175 175.900 -0.501 0.000 1.117 95 Y CA 1.381 59.336 58.100 -0.242 0.000 1.184 95 Y CB 0.424 38.817 38.460 -0.112 0.000 1.047 95 Y HN 0.609 nan 8.280 nan 0.000 0.546 96 D N -1.650 118.760 120.400 0.017 0.000 2.677 96 D HA 0.476 5.114 4.640 -0.002 0.000 0.298 96 D C -1.080 175.282 176.300 0.102 0.000 1.250 96 D CA -0.994 53.017 54.000 0.019 0.000 0.888 96 D CB 0.731 41.646 40.800 0.192 0.000 1.397 96 D HN -0.053 nan 8.370 nan 0.000 0.461 97 A N 0.215 123.110 122.820 0.124 0.000 2.366 97 A HA 0.596 4.914 4.320 -0.002 0.000 0.272 97 A C -2.210 175.407 177.584 0.056 0.000 1.135 97 A CA -1.056 51.050 52.037 0.115 0.000 0.804 97 A CB -0.206 18.918 19.000 0.206 0.000 1.064 97 A HN 0.506 nan 8.150 nan 0.000 0.499 98 P HA 0.321 nan 4.420 nan 0.000 0.276 98 P C -0.761 176.680 177.300 0.234 0.000 1.243 98 P CA 0.282 63.319 63.100 -0.104 0.000 0.768 98 P CB 0.537 31.914 31.700 -0.538 0.000 0.856 99 I N 3.824 124.591 120.570 0.328 0.000 2.437 99 I HA 0.341 4.510 4.170 -0.002 0.000 0.298 99 I C -0.097 176.214 176.117 0.323 0.000 0.984 99 I CA -0.975 60.536 61.300 0.353 0.000 1.214 99 I CB 0.969 39.146 38.000 0.294 0.000 1.365 99 I HN 0.311 nan 8.210 nan 0.000 0.469 100 Y N 4.455 124.760 120.300 0.009 0.000 2.350 100 Y HA 0.603 5.152 4.550 -0.002 0.000 0.338 100 Y C -0.432 175.395 175.900 -0.123 0.000 0.961 100 Y CA -0.479 57.463 58.100 -0.264 0.000 1.100 100 Y CB 1.845 39.843 38.460 -0.769 0.000 1.179 100 Y HN 0.602 nan 8.280 nan 0.000 0.454 101 T N 5.539 119.585 114.554 -0.848 0.000 2.956 101 T HA 0.267 4.616 4.350 -0.002 0.000 0.312 101 T C -0.488 173.718 174.700 -0.824 0.000 1.151 101 T CA -0.600 61.072 62.100 -0.714 0.000 1.024 101 T CB 1.290 69.969 68.868 -0.315 0.000 1.140 101 T HN 0.828 nan 8.240 nan 0.000 0.473 102 N N 2.151 120.466 118.700 -0.641 0.000 2.358 102 N HA 0.056 4.794 4.740 -0.002 0.000 0.209 102 N C 1.729 177.066 175.510 -0.288 0.000 1.033 102 N CA 1.393 54.173 53.050 -0.450 0.000 1.021 102 N CB -0.334 37.913 38.487 -0.399 0.000 1.244 102 N HN 0.442 nan 8.380 nan 0.000 0.523 103 V N 1.035 120.772 119.914 -0.296 0.000 2.300 103 V HA 0.020 4.138 4.120 -0.002 0.000 0.241 103 V C 0.798 176.674 176.094 -0.363 0.000 1.034 103 V CA 1.068 63.175 62.300 -0.321 0.000 1.021 103 V CB -1.012 30.561 31.823 -0.416 0.000 0.662 103 V HN 0.302 nan 8.190 nan 0.000 0.458 104 T N -0.077 114.300 114.554 -0.294 0.000 2.926 104 T HA 0.218 4.567 4.350 -0.002 0.000 0.307 104 T C -0.379 174.192 174.700 -0.216 0.000 1.059 104 T CA 0.031 62.003 62.100 -0.213 0.000 1.122 104 T CB 0.107 68.888 68.868 -0.145 0.000 0.972 104 T HN 0.172 nan 8.240 nan 0.000 0.545 105 Y N 3.263 123.460 120.300 -0.172 0.000 2.578 105 Y HA 0.123 4.672 4.550 -0.002 0.000 0.339 105 Y C -0.756 175.024 175.900 -0.199 0.000 1.231 105 Y CA -1.519 56.468 58.100 -0.189 0.000 1.461 105 Y CB 0.496 38.824 38.460 -0.221 0.000 1.323 105 Y HN 0.507 nan 8.280 nan 0.000 0.590 106 P HA -0.052 nan 4.420 nan 0.000 0.233 106 P C -0.146 176.988 177.300 -0.277 0.000 1.167 106 P CA 1.208 64.246 63.100 -0.104 0.000 0.770 106 P CB 0.101 31.809 31.700 0.014 0.000 0.837 107 I N -4.732 115.622 120.570 -0.360 0.000 3.237 107 I HA 0.497 4.666 4.170 -0.002 0.000 0.308 107 I C -0.540 175.438 176.117 -0.232 0.000 1.093 107 I CA -1.238 59.798 61.300 -0.440 0.000 1.001 107 I CB 1.183 38.746 38.000 -0.728 0.000 1.245 107 I HN -0.471 nan 8.210 nan 0.000 0.485 108 T N 2.456 116.901 114.554 -0.181 0.000 2.799 108 T HA 0.207 4.556 4.350 -0.002 0.000 0.296 108 T C 0.246 174.895 174.700 -0.085 0.000 0.947 108 T CA -0.376 61.669 62.100 -0.091 0.000 1.141 108 T CB 0.528 69.370 68.868 -0.043 0.000 0.891 108 T HN 0.383 nan 8.240 nan 0.000 0.533 109 V N 4.755 124.626 119.914 -0.072 0.000 2.266 109 V HA 0.158 4.276 4.120 -0.002 0.000 0.240 109 V C 0.722 176.832 176.094 0.027 0.000 1.225 109 V CA -0.202 62.055 62.300 -0.072 0.000 1.237 109 V CB -1.197 30.600 31.823 -0.043 0.000 1.343 109 V HN 0.805 nan 8.190 nan 0.000 0.496 110 N N 5.046 123.819 118.700 0.122 0.000 2.722 110 N HA 0.310 5.049 4.740 -0.002 0.000 0.242 110 N C -2.812 172.772 175.510 0.122 0.000 1.398 110 N CA -1.293 51.829 53.050 0.120 0.000 0.755 110 N CB 1.842 40.407 38.487 0.129 0.000 1.268 110 N HN 0.262 nan 8.380 nan 0.000 0.522 111 P HA 0.210 nan 4.420 nan 0.000 0.268 111 P C -2.229 174.924 177.300 -0.245 0.000 1.205 111 P CA -0.782 61.982 63.100 -0.559 0.000 0.771 111 P CB 0.751 32.083 31.700 -0.615 0.000 0.858 112 P HA 0.248 nan 4.420 nan 0.000 0.263 112 P C -0.419 176.719 177.300 -0.271 0.000 1.448 112 P CA -0.300 62.525 63.100 -0.459 0.000 0.983 112 P CB -0.034 31.414 31.700 -0.419 0.000 1.481 113 F N 1.094 121.086 119.950 0.069 0.000 2.389 113 F HA 0.277 4.803 4.527 -0.002 0.000 0.337 113 F C 1.319 177.265 175.800 0.243 0.000 1.112 113 F CA -0.732 57.351 58.000 0.137 0.000 1.192 113 F CB 0.864 39.904 39.000 0.065 0.000 1.185 113 F HN -0.217 nan 8.300 nan 0.000 0.552 114 V N -0.004 120.163 119.914 0.422 0.000 3.019 114 V HA 0.670 4.788 4.120 -0.002 0.000 0.317 114 V C -2.676 173.562 176.094 0.241 0.000 1.094 114 V CA -3.039 59.442 62.300 0.303 0.000 1.000 114 V CB 1.218 33.288 31.823 0.412 0.000 1.060 114 V HN 0.477 nan 8.190 nan 0.000 0.443 115 P HA 0.134 nan 4.420 nan 0.000 0.264 115 P C 1.169 178.599 177.300 0.215 0.000 1.183 115 P CA 0.662 63.835 63.100 0.122 0.000 0.763 115 P CB 0.541 32.276 31.700 0.058 0.000 0.807 116 T N -0.722 113.935 114.554 0.172 0.000 2.788 116 T HA -0.116 4.233 4.350 -0.002 0.000 0.268 116 T C 0.647 175.452 174.700 0.175 0.000 1.044 116 T CA 0.931 63.138 62.100 0.178 0.000 1.139 116 T CB -0.437 68.502 68.868 0.119 0.000 0.867 116 T HN 0.288 nan 8.240 nan 0.000 0.454 117 E N 3.210 123.510 120.200 0.168 0.000 1.944 117 E HA 0.270 4.619 4.350 -0.002 0.000 0.272 117 E C -0.656 176.100 176.600 0.260 0.000 1.195 117 E CA -0.053 56.455 56.400 0.179 0.000 0.926 117 E CB 0.129 29.937 29.700 0.180 0.000 1.051 117 E HN 0.389 nan 8.360 nan 0.000 0.404 118 N N 4.063 122.889 118.700 0.210 0.000 2.623 118 N HA 0.247 4.986 4.740 -0.002 0.000 0.256 118 N C -2.879 172.661 175.510 0.051 0.000 1.045 118 N CA -2.358 50.851 53.050 0.265 0.000 0.863 118 N CB 1.158 39.794 38.487 0.247 0.000 1.182 118 N HN -0.065 nan 8.380 nan 0.000 0.523 119 P HA 0.003 nan 4.420 nan 0.000 0.260 119 P C -0.840 176.330 177.300 -0.216 0.000 1.172 119 P CA 0.578 63.607 63.100 -0.119 0.000 0.760 119 P CB 0.379 32.309 31.700 0.383 0.000 0.773 120 T N 3.008 117.173 114.554 -0.648 0.000 2.809 120 T HA 0.540 4.888 4.350 -0.002 0.000 0.284 120 T C 0.322 174.523 174.700 -0.833 0.000 0.992 120 T CA -0.558 61.235 62.100 -0.511 0.000 0.957 120 T CB 1.446 70.061 68.868 -0.420 0.000 0.942 120 T HN 0.323 nan 8.240 nan 0.000 0.439 121 G N 1.200 109.588 108.800 -0.686 0.000 2.347 121 G HA2 0.459 4.418 3.960 -0.002 0.000 0.314 121 G HA3 0.459 4.418 3.960 -0.002 0.000 0.314 121 G C -0.171 174.540 174.900 -0.314 0.000 1.126 121 G CA -0.377 44.275 45.100 -0.747 0.000 0.929 121 G HN 0.865 nan 8.290 nan 0.000 0.441 122 C N 3.614 122.504 119.300 -0.683 0.000 2.176 122 C HA 0.395 4.854 4.460 -0.002 0.000 0.329 122 C C -0.320 174.683 174.990 0.023 0.000 1.113 122 C CA -1.010 57.737 59.018 -0.451 0.000 1.562 122 C CB -1.925 25.119 27.740 -1.159 0.000 2.040 122 C HN 0.630 nan 8.230 nan 0.000 0.460 123 Y N 2.066 122.689 120.300 0.537 0.000 2.320 123 Y HA 0.558 5.107 4.550 -0.002 0.000 0.324 123 Y C 0.949 177.325 175.900 0.794 0.000 1.190 123 Y CA 0.114 58.636 58.100 0.703 0.000 1.215 123 Y CB 1.223 40.062 38.460 0.632 0.000 1.221 123 Y HN 0.669 nan 8.280 nan 0.000 0.486 124 S N 2.492 118.690 115.700 0.829 0.000 2.556 124 S HA 0.787 5.256 4.470 -0.002 0.000 0.271 124 S C -1.900 172.746 174.600 0.077 0.000 1.135 124 S CA -0.853 57.595 58.200 0.414 0.000 0.858 124 S CB 2.116 65.446 63.200 0.216 0.000 1.114 124 S HN 0.558 nan 8.310 nan 0.000 0.468 125 L N 1.244 122.310 121.223 -0.261 0.000 2.516 125 L HA 0.646 4.985 4.340 -0.002 0.000 0.267 125 L C -0.949 175.847 176.870 -0.123 0.000 0.957 125 L CA 0.124 54.655 54.840 -0.515 0.000 0.860 125 L CB 2.149 43.342 42.059 -1.445 0.000 1.265 125 L HN 0.916 nan 8.230 nan 0.000 0.403 126 T N 6.004 120.523 114.554 -0.058 0.000 2.771 126 T HA 0.684 5.032 4.350 -0.002 0.000 0.291 126 T C -0.640 174.107 174.700 0.079 0.000 0.954 126 T CA 0.083 62.192 62.100 0.015 0.000 1.045 126 T CB 0.091 68.936 68.868 -0.037 0.000 0.917 126 T HN 0.452 nan 8.240 nan 0.000 0.484 127 F N 0.847 120.699 119.950 -0.163 0.000 2.662 127 F HA 0.721 5.247 4.527 -0.002 0.000 0.312 127 F C -0.785 174.937 175.800 -0.130 0.000 1.113 127 F CA -1.563 56.343 58.000 -0.158 0.000 0.951 127 F CB 1.392 40.276 39.000 -0.194 0.000 1.344 127 F HN 0.320 nan 8.300 nan 0.000 0.462 128 N N 0.677 119.307 118.700 -0.118 0.000 2.498 128 N HA 0.595 5.334 4.740 -0.002 0.000 0.287 128 N C -1.768 173.606 175.510 -0.227 0.000 1.097 128 N CA -0.350 52.574 53.050 -0.211 0.000 0.973 128 N CB 1.768 40.182 38.487 -0.121 0.000 1.153 128 N HN 0.633 nan 8.380 nan 0.000 0.472 129 V N 2.365 122.109 119.914 -0.283 0.000 2.531 129 V HA 0.231 4.350 4.120 -0.002 0.000 0.301 129 V C -0.455 175.520 176.094 -0.198 0.000 1.034 129 V CA -0.930 61.213 62.300 -0.262 0.000 0.865 129 V CB 1.448 33.159 31.823 -0.188 0.000 0.995 129 V HN 0.742 nan 8.190 nan 0.000 0.424 130 D N 2.552 122.806 120.400 -0.244 0.000 2.372 130 D HA 0.125 4.764 4.640 -0.002 0.000 0.243 130 D C 1.467 177.779 176.300 0.020 0.000 1.121 130 D CA 0.047 53.987 54.000 -0.099 0.000 0.898 130 D CB 1.231 41.987 40.800 -0.073 0.000 1.202 130 D HN 0.782 nan 8.370 nan 0.000 0.428 131 E N 1.082 121.302 120.200 0.034 0.000 2.160 131 E HA -0.252 4.096 4.350 -0.002 0.000 0.195 131 E C 1.558 178.223 176.600 0.109 0.000 0.991 131 E CA 1.298 57.735 56.400 0.062 0.000 0.810 131 E CB -0.321 29.399 29.700 0.034 0.000 0.742 131 E HN 0.420 nan 8.360 nan 0.000 0.466 132 S N 0.489 116.266 115.700 0.128 0.000 2.383 132 S HA -0.193 4.276 4.470 -0.002 0.000 0.229 132 S C 1.541 176.209 174.600 0.114 0.000 1.030 132 S CA 0.938 59.206 58.200 0.114 0.000 1.002 132 S CB -0.840 62.427 63.200 0.112 0.000 0.829 132 S HN 0.474 nan 8.310 nan 0.000 0.467 133 W N 1.598 122.835 121.300 -0.106 0.000 2.465 133 W HA 0.307 4.965 4.660 -0.002 0.000 0.268 133 W C 1.943 178.536 176.519 0.124 0.000 1.242 133 W CA 0.191 57.470 57.345 -0.110 0.000 1.248 133 W CB -0.377 29.085 29.460 0.004 0.000 1.118 133 W HN 0.317 nan 8.180 nan 0.000 0.587 134 L N -1.259 120.135 121.223 0.285 0.000 2.575 134 L HA 0.078 4.417 4.340 -0.002 0.000 0.228 134 L C 2.084 179.041 176.870 0.143 0.000 1.075 134 L CA 0.328 55.296 54.840 0.213 0.000 0.867 134 L CB -0.580 41.573 42.059 0.157 0.000 1.097 134 L HN -0.111 nan 8.230 nan 0.000 0.485 135 Q N 0.901 120.771 119.800 0.116 0.000 2.167 135 Q HA -0.070 4.269 4.340 -0.002 0.000 0.202 135 Q C 0.115 176.163 176.000 0.079 0.000 0.970 135 Q CA 0.913 56.763 55.803 0.078 0.000 0.855 135 Q CB 0.282 29.054 28.738 0.056 0.000 0.911 135 Q HN 0.546 nan 8.270 nan 0.000 0.438 136 E N -1.215 119.052 120.200 0.112 0.000 2.383 136 E HA 0.554 4.902 4.350 -0.002 0.000 0.275 136 E C -0.058 176.656 176.600 0.190 0.000 0.918 136 E CA -0.577 55.889 56.400 0.110 0.000 0.764 136 E CB 1.899 31.645 29.700 0.076 0.000 1.252 136 E HN 0.101 nan 8.360 nan 0.000 0.449 137 G N 1.304 110.147 108.800 0.072 0.000 2.645 137 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.239 137 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.239 137 G C -0.746 174.045 174.900 -0.181 0.000 1.331 137 G CA 0.128 45.174 45.100 -0.090 0.000 0.890 137 G HN 0.766 nan 8.290 nan 0.000 0.572 138 Q N -0.293 119.239 119.800 -0.446 0.000 2.330 138 Q HA 0.607 4.946 4.340 -0.002 0.000 0.269 138 Q C -0.934 174.902 176.000 -0.274 0.000 1.022 138 Q CA -0.436 55.220 55.803 -0.245 0.000 0.796 138 Q CB 1.366 30.010 28.738 -0.157 0.000 1.271 138 Q HN 0.610 nan 8.270 nan 0.000 0.450 139 T N 5.173 119.739 114.554 0.020 0.000 2.756 139 T HA 0.440 4.789 4.350 -0.002 0.000 0.290 139 T C -0.475 174.344 174.700 0.198 0.000 0.985 139 T CA -0.584 61.641 62.100 0.208 0.000 0.955 139 T CB 0.387 69.515 68.868 0.433 0.000 0.930 139 T HN 0.607 nan 8.240 nan 0.000 0.451 140 R N 2.956 123.564 120.500 0.180 0.000 2.778 140 R HA 0.762 5.101 4.340 -0.002 0.000 0.277 140 R C -1.037 175.365 176.300 0.170 0.000 0.977 140 R CA -0.964 55.238 56.100 0.171 0.000 0.950 140 R CB 1.441 31.817 30.300 0.127 0.000 1.165 140 R HN 0.552 nan 8.270 nan 0.000 0.474 141 I N 2.831 123.499 120.570 0.163 0.000 2.437 141 I HA 0.413 4.582 4.170 -0.002 0.000 0.298 141 I C -1.002 175.143 176.117 0.045 0.000 0.984 141 I CA -1.234 60.103 61.300 0.062 0.000 1.214 141 I CB 1.247 39.271 38.000 0.039 0.000 1.365 141 I HN 0.627 nan 8.210 nan 0.000 0.469 142 I N 7.383 127.878 120.570 -0.125 0.000 2.410 142 I HA 0.279 4.448 4.170 -0.002 0.000 0.286 142 I C -1.247 174.696 176.117 -0.291 0.000 1.009 142 I CA -0.347 60.894 61.300 -0.099 0.000 1.111 142 I CB 1.290 39.255 38.000 -0.059 0.000 1.262 142 I HN 0.369 nan 8.210 nan 0.000 0.443 143 F N 4.558 124.489 119.950 -0.032 0.000 2.334 143 F HA 0.269 4.795 4.527 -0.002 0.000 0.367 143 F C 1.284 176.958 175.800 -0.210 0.000 1.115 143 F CA -0.426 57.473 58.000 -0.168 0.000 1.116 143 F CB 0.746 39.584 39.000 -0.270 0.000 1.230 143 F HN 0.460 nan 8.300 nan 0.000 0.484 144 D N 2.328 122.640 120.400 -0.147 0.000 2.269 144 D HA 0.057 4.696 4.640 -0.002 0.000 0.208 144 D C 1.019 177.141 176.300 -0.297 0.000 0.963 144 D CA 0.862 54.730 54.000 -0.221 0.000 0.864 144 D CB 0.393 41.014 40.800 -0.297 0.000 0.936 144 D HN 0.625 nan 8.370 nan 0.000 0.505 145 G N -0.285 108.269 108.800 -0.410 0.000 2.334 145 G HA2 0.436 4.394 3.960 -0.002 0.000 0.290 145 G HA3 0.436 4.394 3.960 -0.002 0.000 0.290 145 G C -1.415 173.169 174.900 -0.526 0.000 1.310 145 G CA -0.420 44.296 45.100 -0.641 0.000 1.308 145 G HN -0.056 nan 8.290 nan 0.000 0.612 146 V N 2.653 122.465 119.914 -0.170 0.000 2.577 146 V HA 0.539 4.657 4.120 -0.002 0.000 0.303 146 V C -0.800 175.363 176.094 0.114 0.000 1.042 146 V CA -1.217 61.010 62.300 -0.122 0.000 0.872 146 V CB 1.990 33.462 31.823 -0.586 0.000 0.998 146 V HN 0.666 nan 8.190 nan 0.000 0.423 147 N N 2.267 121.033 118.700 0.111 0.000 2.446 147 N HA 0.324 5.063 4.740 -0.002 0.000 0.265 147 N C 0.658 176.105 175.510 -0.104 0.000 0.975 147 N CA 0.211 53.242 53.050 -0.033 0.000 0.928 147 N CB 2.229 40.539 38.487 -0.295 0.000 1.160 147 N HN 0.741 nan 8.380 nan 0.000 0.495 148 S N 1.831 117.513 115.700 -0.030 0.000 2.524 148 S HA 0.523 4.992 4.470 -0.002 0.000 0.222 148 S C 0.422 175.092 174.600 0.117 0.000 1.040 148 S CA -0.034 58.194 58.200 0.047 0.000 0.915 148 S CB 0.460 63.702 63.200 0.070 0.000 0.831 148 S HN 0.590 nan 8.310 nan 0.000 0.492 149 A N 0.893 123.794 122.820 0.136 0.000 2.606 149 A HA 0.797 5.116 4.320 -0.002 0.000 0.293 149 A C -1.340 176.349 177.584 0.176 0.000 1.082 149 A CA -1.020 51.071 52.037 0.091 0.000 0.685 149 A CB 1.003 20.069 19.000 0.111 0.000 1.284 149 A HN 1.042 nan 8.150 nan 0.000 0.408 150 F N -0.515 119.264 119.950 -0.285 0.000 2.665 150 F HA 0.722 5.247 4.527 -0.002 0.000 0.308 150 F C -1.070 174.620 175.800 -0.183 0.000 1.112 150 F CA -0.742 57.171 58.000 -0.144 0.000 0.972 150 F CB 1.244 40.138 39.000 -0.176 0.000 1.295 150 F HN 0.621 nan 8.300 nan 0.000 0.440 151 H N 2.456 121.615 119.070 0.149 0.000 2.499 151 H HA 0.655 5.210 4.556 -0.002 0.000 0.340 151 H C -1.363 173.877 175.328 -0.146 0.000 1.148 151 H CA -0.682 55.345 56.048 -0.035 0.000 1.215 151 H CB 2.497 32.293 29.762 0.056 0.000 1.529 151 H HN 0.775 nan 8.280 nan 0.000 0.510 152 L N 3.348 124.304 121.223 -0.445 0.000 2.362 152 L HA 0.369 4.708 4.340 -0.002 0.000 0.275 152 L C -1.505 175.018 176.870 -0.579 0.000 0.998 152 L CA -0.506 54.123 54.840 -0.352 0.000 0.820 152 L CB 1.195 42.936 42.059 -0.531 0.000 1.270 152 L HN 0.503 nan 8.230 nan 0.000 0.415 153 W N 4.565 125.832 121.300 -0.055 0.000 2.736 153 W HA 0.553 5.211 4.660 -0.002 0.000 0.335 153 W C -1.002 175.452 176.519 -0.108 0.000 1.059 153 W CA -0.797 56.496 57.345 -0.086 0.000 1.226 153 W CB 1.997 31.449 29.460 -0.012 0.000 1.416 153 W HN 0.540 nan 8.180 nan 0.000 0.505 154 C N 5.156 124.499 119.300 0.072 0.000 2.340 154 C HA 0.287 4.746 4.460 -0.002 0.000 0.323 154 C C 0.374 175.480 174.990 0.193 0.000 1.260 154 C CA -0.328 58.751 59.018 0.101 0.000 1.464 154 C CB -0.652 27.091 27.740 0.005 0.000 2.156 154 C HN 0.801 nan 8.230 nan 0.000 0.476 155 N N 3.669 122.448 118.700 0.131 0.000 2.727 155 N HA -0.192 4.547 4.740 -0.002 0.000 0.249 155 N C 0.963 176.536 175.510 0.105 0.000 1.048 155 N CA 1.982 55.086 53.050 0.090 0.000 0.714 155 N CB -1.315 37.230 38.487 0.096 0.000 0.959 155 N HN 1.743 nan 8.380 nan 0.000 0.544 156 G N -1.385 107.472 108.800 0.095 0.000 2.225 156 G HA2 -0.363 3.595 3.960 -0.002 0.000 0.254 156 G HA3 -0.363 3.595 3.960 -0.002 0.000 0.254 156 G C 0.147 175.210 174.900 0.271 0.000 0.988 156 G CA 0.558 45.708 45.100 0.083 0.000 0.625 156 G HN 0.558 nan 8.290 nan 0.000 0.527 157 R N -0.888 119.839 120.500 0.379 0.000 2.407 157 R HA 0.468 4.806 4.340 -0.002 0.000 0.303 157 R C -0.232 176.373 176.300 0.508 0.000 0.981 157 R CA -0.850 55.550 56.100 0.500 0.000 0.905 157 R CB 1.055 31.672 30.300 0.529 0.000 1.099 157 R HN 0.228 nan 8.270 nan 0.000 0.459 158 W N 3.543 125.006 121.300 0.273 0.000 2.253 158 W HA 0.098 4.757 4.660 -0.002 0.000 0.322 158 W C 0.042 176.427 176.519 -0.223 0.000 1.342 158 W CA 0.003 57.198 57.345 -0.249 0.000 1.218 158 W CB 0.673 29.994 29.460 -0.231 0.000 1.205 158 W HN 0.339 nan 8.180 nan 0.000 0.551 159 V N 5.329 124.499 119.914 -1.241 0.000 2.627 159 V HA 0.546 4.665 4.120 -0.002 0.000 0.239 159 V C 1.065 176.234 176.094 -1.543 0.000 1.077 159 V CA 1.023 62.565 62.300 -1.264 0.000 1.103 159 V CB -0.460 30.651 31.823 -1.187 0.000 0.802 159 V HN 0.818 nan 8.190 nan 0.000 0.482 160 G N -1.760 105.891 108.800 -1.916 0.000 2.427 160 G HA2 0.463 4.422 3.960 -0.002 0.000 0.306 160 G HA3 0.463 4.422 3.960 -0.002 0.000 0.306 160 G C -2.437 172.008 174.900 -0.758 0.000 1.280 160 G CA -0.270 44.043 45.100 -1.311 0.000 0.837 160 G HN 0.027 nan 8.290 nan 0.000 0.482 161 Y N -0.427 119.631 120.300 -0.403 0.000 2.534 161 Y HA 0.682 5.231 4.550 -0.002 0.000 0.345 161 Y C -0.100 175.597 175.900 -0.339 0.000 1.031 161 Y CA -0.049 57.760 58.100 -0.486 0.000 1.022 161 Y CB 2.252 40.543 38.460 -0.281 0.000 1.292 161 Y HN 1.164 nan 8.280 nan 0.000 0.459 162 G N 4.140 112.127 108.800 -1.355 0.000 2.706 162 G HA2 0.593 4.552 3.960 -0.002 0.000 0.297 162 G HA3 0.593 4.552 3.960 -0.002 0.000 0.297 162 G C -2.021 172.460 174.900 -0.698 0.000 1.403 162 G CA -0.807 43.831 45.100 -0.770 0.000 0.954 162 G HN 0.624 nan 8.290 nan 0.000 0.500 163 Q N -0.272 119.371 119.800 -0.263 0.000 2.873 163 Q HA 0.572 4.911 4.340 -0.002 0.000 0.297 163 Q C -1.317 174.704 176.000 0.035 0.000 1.064 163 Q CA -0.866 54.898 55.803 -0.065 0.000 0.816 163 Q CB 2.432 31.188 28.738 0.031 0.000 1.481 163 Q HN 0.634 nan 8.270 nan 0.000 0.488 164 D N -0.267 120.183 120.400 0.085 0.000 4.736 164 D HA -0.104 4.535 4.640 -0.002 0.000 0.234 164 D C -0.454 175.911 176.300 0.108 0.000 1.210 164 D CA 0.519 54.578 54.000 0.098 0.000 1.126 164 D CB -0.452 40.391 40.800 0.071 0.000 0.669 164 D HN 0.528 nan 8.370 nan 0.000 0.319 165 S N 3.442 119.218 115.700 0.125 0.000 2.507 165 S HA -0.055 4.414 4.470 -0.002 0.000 0.235 165 S C 1.570 176.295 174.600 0.209 0.000 0.988 165 S CA 0.581 58.882 58.200 0.169 0.000 0.944 165 S CB 0.260 63.528 63.200 0.113 0.000 0.762 165 S HN 0.467 nan 8.310 nan 0.000 0.526 166 R N 0.007 120.591 120.500 0.139 0.000 2.508 166 R HA 0.426 4.765 4.340 -0.002 0.000 0.300 166 R C -0.349 176.001 176.300 0.082 0.000 0.970 166 R CA 0.056 56.237 56.100 0.134 0.000 1.102 166 R CB 0.213 30.614 30.300 0.169 0.000 1.246 166 R HN 0.320 nan 8.270 nan 0.000 0.539 167 L N 1.961 123.207 121.223 0.039 0.000 2.354 167 L HA 0.505 4.844 4.340 -0.002 0.000 0.264 167 L C -2.335 174.508 176.870 -0.045 0.000 1.008 167 L CA -2.279 52.556 54.840 -0.008 0.000 0.819 167 L CB 2.832 44.886 42.059 -0.010 0.000 1.339 167 L HN -0.217 nan 8.230 nan 0.000 0.420 168 P HA 0.094 nan 4.420 nan 0.000 0.271 168 P C -0.989 176.273 177.300 -0.063 0.000 1.216 168 P CA -0.206 62.842 63.100 -0.087 0.000 0.776 168 P CB 1.099 32.712 31.700 -0.145 0.000 0.881 169 S N 2.016 117.737 115.700 0.035 0.000 2.449 169 S HA 0.331 4.800 4.470 -0.002 0.000 0.310 169 S C -0.353 174.207 174.600 -0.065 0.000 1.096 169 S CA -0.580 57.614 58.200 -0.010 0.000 1.095 169 S CB 0.876 64.250 63.200 0.290 0.000 1.007 169 S HN 0.378 nan 8.310 nan 0.000 0.474 170 E N 1.903 121.860 120.200 -0.405 0.000 2.222 170 E HA 0.560 4.909 4.350 -0.002 0.000 0.267 170 E C -1.490 174.767 176.600 -0.571 0.000 0.884 170 E CA -0.536 55.704 56.400 -0.265 0.000 0.764 170 E CB 1.678 31.328 29.700 -0.084 0.000 1.169 170 E HN 0.421 nan 8.360 nan 0.000 0.413 171 F N 0.624 120.634 119.950 0.100 0.000 2.578 171 F HA 0.214 4.740 4.527 -0.002 0.000 0.311 171 F C -0.014 175.825 175.800 0.065 0.000 1.094 171 F CA -1.134 56.896 58.000 0.049 0.000 0.923 171 F CB 1.534 40.532 39.000 -0.004 0.000 1.230 171 F HN 0.271 nan 8.300 nan 0.000 0.450 172 D N 2.861 123.407 120.400 0.243 0.000 2.339 172 D HA 0.229 4.867 4.640 -0.002 0.000 0.256 172 D C 0.318 176.786 176.300 0.280 0.000 1.214 172 D CA 0.350 54.477 54.000 0.213 0.000 0.877 172 D CB 0.956 41.857 40.800 0.169 0.000 1.111 172 D HN 0.576 nan 8.370 nan 0.000 0.478 173 L N 2.716 124.106 121.223 0.278 0.000 2.667 173 L HA 0.043 4.382 4.340 -0.002 0.000 0.232 173 L C 2.068 179.163 176.870 0.376 0.000 1.138 173 L CA -0.146 54.908 54.840 0.358 0.000 0.921 173 L CB 0.124 42.343 42.059 0.268 0.000 1.180 173 L HN 0.264 nan 8.230 nan 0.000 0.487 174 S N 1.268 117.131 115.700 0.271 0.000 2.380 174 S HA -0.243 4.225 4.470 -0.002 0.000 0.229 174 S C 2.027 176.713 174.600 0.144 0.000 1.043 174 S CA 1.749 60.063 58.200 0.190 0.000 1.038 174 S CB -0.102 63.172 63.200 0.123 0.000 0.872 174 S HN 0.558 nan 8.310 nan 0.000 0.456 175 A N -0.637 122.243 122.820 0.100 0.000 2.218 175 A HA 0.363 4.682 4.320 -0.002 0.000 0.209 175 A C 1.376 178.829 177.584 -0.218 0.000 1.168 175 A CA 0.227 52.203 52.037 -0.100 0.000 0.804 175 A CB -0.363 18.497 19.000 -0.234 0.000 0.834 175 A HN 0.477 nan 8.150 nan 0.000 0.482 176 F N -0.558 119.435 119.950 0.071 0.000 2.622 176 F HA 0.350 4.876 4.527 -0.002 0.000 0.288 176 F C 0.720 176.555 175.800 0.058 0.000 1.120 176 F CA -0.069 57.972 58.000 0.069 0.000 1.423 176 F CB 0.076 39.124 39.000 0.079 0.000 1.127 176 F HN -0.038 nan 8.300 nan 0.000 0.588 177 L N 1.320 122.684 121.223 0.235 0.000 2.421 177 L HA 0.438 4.777 4.340 -0.002 0.000 0.263 177 L C 0.183 177.090 176.870 0.061 0.000 1.122 177 L CA -0.556 54.363 54.840 0.132 0.000 0.804 177 L CB 0.959 43.108 42.059 0.150 0.000 1.150 177 L HN 0.056 nan 8.230 nan 0.000 0.457 178 R N 1.416 121.915 120.500 -0.002 0.000 2.837 178 R HA 0.819 5.158 4.340 -0.002 0.000 0.271 178 R C -1.026 175.244 176.300 -0.050 0.000 0.993 178 R CA -0.970 55.120 56.100 -0.017 0.000 0.931 178 R CB 1.466 31.750 30.300 -0.027 0.000 1.206 178 R HN 0.541 nan 8.270 nan 0.000 0.474 179 A N 1.196 123.997 122.820 -0.032 0.000 2.520 179 A HA 0.500 4.819 4.320 -0.002 0.000 0.245 179 A C 1.042 178.578 177.584 -0.079 0.000 1.072 179 A CA 0.997 53.006 52.037 -0.046 0.000 0.761 179 A CB -0.690 18.298 19.000 -0.019 0.000 1.004 179 A HN 1.310 nan 8.150 nan 0.000 0.499 180 G N 1.668 110.402 108.800 -0.109 0.000 2.513 180 G HA2 -0.126 3.833 3.960 -0.002 0.000 0.227 180 G HA3 -0.126 3.833 3.960 -0.002 0.000 0.227 180 G C -0.335 174.447 174.900 -0.196 0.000 1.176 180 G CA -0.067 44.957 45.100 -0.125 0.000 0.967 180 G HN 0.892 nan 8.290 nan 0.000 0.587 181 E N 2.163 122.254 120.200 -0.180 0.000 2.316 181 E HA 0.394 4.743 4.350 -0.002 0.000 0.275 181 E C -0.016 176.403 176.600 -0.302 0.000 1.029 181 E CA -0.097 56.162 56.400 -0.235 0.000 0.871 181 E CB 0.778 30.387 29.700 -0.152 0.000 1.022 181 E HN 0.458 nan 8.360 nan 0.000 0.418 182 N N 2.092 120.487 118.700 -0.508 0.000 2.262 182 N HA 0.356 5.095 4.740 -0.002 0.000 0.295 182 N C -0.761 174.534 175.510 -0.358 0.000 1.161 182 N CA -0.637 52.102 53.050 -0.517 0.000 0.767 182 N CB 2.746 40.727 38.487 -0.843 0.000 1.499 182 N HN 0.230 nan 8.380 nan 0.000 0.476 183 R N 1.636 122.080 120.500 -0.093 0.000 2.480 183 R HA 0.484 4.823 4.340 -0.002 0.000 0.306 183 R C -1.159 175.224 176.300 0.138 0.000 0.958 183 R CA -0.500 55.622 56.100 0.037 0.000 0.861 183 R CB 0.932 31.204 30.300 -0.047 0.000 1.171 183 R HN 0.477 nan 8.270 nan 0.000 0.445 184 L N 3.334 124.671 121.223 0.190 0.000 2.307 184 L HA 0.673 5.012 4.340 -0.002 0.000 0.282 184 L C -0.187 176.742 176.870 0.098 0.000 1.051 184 L CA -0.732 54.207 54.840 0.165 0.000 0.804 184 L CB 1.877 44.023 42.059 0.143 0.000 1.197 184 L HN 0.707 nan 8.230 nan 0.000 0.431 185 A N 3.539 126.429 122.820 0.116 0.000 2.335 185 A HA 0.757 5.076 4.320 -0.002 0.000 0.304 185 A C -0.938 176.938 177.584 0.488 0.000 1.118 185 A CA -0.469 51.569 52.037 0.002 0.000 0.757 185 A CB 1.473 19.996 19.000 -0.796 0.000 1.188 185 A HN 0.392 nan 8.150 nan 0.000 0.460 186 V N 3.689 124.059 119.914 0.760 0.000 2.376 186 V HA 0.406 4.524 4.120 -0.002 0.000 0.287 186 V C -0.050 176.575 176.094 0.885 0.000 1.015 186 V CA -0.260 62.480 62.300 0.735 0.000 0.834 186 V CB 1.403 33.491 31.823 0.443 0.000 1.001 186 V HN 0.971 nan 8.190 nan 0.000 0.428 187 M N 6.167 126.298 119.600 0.884 0.000 2.063 187 M HA 0.528 5.007 4.480 -0.002 0.000 0.348 187 M C -1.316 175.238 176.300 0.424 0.000 1.180 187 M CA -0.259 55.375 55.300 0.556 0.000 1.059 187 M CB 0.938 33.888 32.600 0.583 0.000 1.544 187 M HN 0.466 nan 8.290 nan 0.000 0.447 188 V N 6.964 127.095 119.914 0.362 0.000 2.370 188 V HA 0.389 4.508 4.120 -0.002 0.000 0.283 188 V C -0.309 175.959 176.094 0.291 0.000 1.023 188 V CA -0.689 61.840 62.300 0.381 0.000 0.857 188 V CB 1.413 33.571 31.823 0.558 0.000 0.985 188 V HN 0.779 nan 8.190 nan 0.000 0.443 189 L N 4.885 126.213 121.223 0.176 0.000 2.275 189 L HA 0.537 4.876 4.340 -0.002 0.000 0.288 189 L C 1.520 178.432 176.870 0.071 0.000 1.046 189 L CA -0.246 54.625 54.840 0.051 0.000 0.805 189 L CB 1.040 43.027 42.059 -0.120 0.000 1.193 189 L HN 0.590 nan 8.230 nan 0.000 0.426 190 R N 2.852 123.361 120.500 0.014 0.000 2.073 190 R HA -0.072 4.266 4.340 -0.002 0.000 0.234 190 R C -0.397 175.624 176.300 -0.464 0.000 1.134 190 R CA 1.393 57.279 56.100 -0.357 0.000 0.952 190 R CB 0.171 30.137 30.300 -0.558 0.000 0.850 190 R HN 0.590 nan 8.270 nan 0.000 0.433 191 W N 0.351 121.733 121.300 0.136 0.000 2.573 191 W HA 0.407 5.066 4.660 -0.002 0.000 0.326 191 W C -0.334 176.322 176.519 0.228 0.000 1.049 191 W CA -0.853 56.584 57.345 0.154 0.000 1.220 191 W CB 1.745 31.298 29.460 0.155 0.000 1.373 191 W HN 0.035 nan 8.180 nan 0.000 0.507 192 S N -0.837 115.175 115.700 0.519 0.000 2.705 192 S HA 0.251 4.720 4.470 -0.002 0.000 0.280 192 S C 0.177 175.071 174.600 0.490 0.000 1.174 192 S CA -0.482 58.032 58.200 0.524 0.000 0.823 192 S CB 1.257 64.737 63.200 0.467 0.000 1.162 192 S HN 0.621 nan 8.310 nan 0.000 0.487 193 D N 0.220 120.896 120.400 0.459 0.000 2.309 193 D HA 0.073 4.711 4.640 -0.002 0.000 0.212 193 D C 1.730 178.357 176.300 0.545 0.000 0.968 193 D CA 1.099 55.402 54.000 0.505 0.000 0.882 193 D CB -0.642 40.311 40.800 0.256 0.000 0.918 193 D HN 0.682 nan 8.370 nan 0.000 0.503 194 G N 0.168 109.214 108.800 0.410 0.000 2.443 194 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.219 194 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.219 194 G C 1.698 176.798 174.900 0.332 0.000 1.131 194 G CA 0.670 45.977 45.100 0.345 0.000 0.775 194 G HN 0.311 nan 8.290 nan 0.000 0.547 195 S N 0.033 115.937 115.700 0.340 0.000 2.419 195 S HA -0.115 4.354 4.470 -0.002 0.000 0.233 195 S C 1.905 176.640 174.600 0.224 0.000 1.016 195 S CA 0.779 59.148 58.200 0.282 0.000 0.974 195 S CB -0.406 62.997 63.200 0.338 0.000 0.786 195 S HN 0.536 nan 8.310 nan 0.000 0.492 196 Y N 1.206 121.645 120.300 0.231 0.000 2.421 196 Y HA 0.069 4.618 4.550 -0.002 0.000 0.292 196 Y C 1.656 177.642 175.900 0.143 0.000 1.136 196 Y CA 0.678 58.855 58.100 0.129 0.000 1.255 196 Y CB -0.244 38.150 38.460 -0.110 0.000 0.991 196 Y HN 0.205 nan 8.280 nan 0.000 0.552 197 L N -0.546 120.848 121.223 0.285 0.000 2.640 197 L HA 0.122 4.461 4.340 -0.002 0.000 0.230 197 L C 0.134 177.123 176.870 0.199 0.000 1.123 197 L CA 0.394 55.358 54.840 0.205 0.000 0.900 197 L CB 0.125 42.310 42.059 0.211 0.000 1.146 197 L HN 0.101 nan 8.230 nan 0.000 0.484 198 E N -0.107 120.221 120.200 0.214 0.000 3.388 198 E HA 0.033 4.382 4.350 -0.002 0.000 0.214 198 E C -0.444 176.245 176.600 0.149 0.000 1.040 198 E CA -0.083 56.430 56.400 0.188 0.000 1.327 198 E CB 0.440 30.247 29.700 0.179 0.000 1.243 198 E HN 0.030 nan 8.360 nan 0.000 0.444 199 D N 1.141 121.587 120.400 0.077 0.000 2.690 199 D HA 0.017 4.656 4.640 -0.002 0.000 0.236 199 D C -0.354 175.918 176.300 -0.048 0.000 1.218 199 D CA -0.140 53.800 54.000 -0.099 0.000 0.829 199 D CB 0.086 40.605 40.800 -0.468 0.000 1.009 199 D HN 0.046 nan 8.370 nan 0.000 0.482 200 Q N 1.191 121.049 119.800 0.097 0.000 2.311 200 Q HA 0.086 4.424 4.340 -0.002 0.000 0.272 200 Q C -0.095 175.973 176.000 0.114 0.000 1.012 200 Q CA 0.056 55.978 55.803 0.199 0.000 0.891 200 Q CB 0.632 29.640 28.738 0.450 0.000 1.201 200 Q HN 0.264 nan 8.270 nan 0.000 0.391 201 D N 4.507 124.961 120.400 0.088 0.000 2.416 201 D HA 0.116 4.754 4.640 -0.002 0.000 0.240 201 D C -0.141 176.253 176.300 0.156 0.000 1.250 201 D CA -0.005 53.994 54.000 -0.002 0.000 0.967 201 D CB -0.118 40.636 40.800 -0.076 0.000 1.059 201 D HN 0.595 nan 8.370 nan 0.000 0.512 202 M N -1.148 118.517 119.600 0.107 0.000 3.517 202 M HA 0.499 4.978 4.480 -0.002 0.000 0.293 202 M C -1.425 174.944 176.300 0.116 0.000 1.404 202 M CA -1.272 54.076 55.300 0.080 0.000 0.837 202 M CB 1.318 33.854 32.600 -0.106 0.000 1.756 202 M HN -0.012 nan 8.290 nan 0.000 0.474 203 W N 2.412 123.787 121.300 0.124 0.000 2.308 203 W HA 0.303 4.962 4.660 -0.002 0.000 0.324 203 W C 0.234 176.741 176.519 -0.020 0.000 1.387 203 W CA -0.283 57.099 57.345 0.061 0.000 1.250 203 W CB 0.351 29.789 29.460 -0.037 0.000 1.257 203 W HN 0.233 nan 8.180 nan 0.000 0.554 204 R N 5.374 126.014 120.500 0.233 0.000 2.248 204 R HA 0.312 4.651 4.340 -0.002 0.000 0.337 204 R C -0.231 176.030 176.300 -0.065 0.000 1.106 204 R CA -0.004 56.146 56.100 0.082 0.000 0.959 204 R CB -0.049 30.365 30.300 0.191 0.000 1.075 204 R HN 0.537 nan 8.270 nan 0.000 0.480 205 M N 0.540 120.010 119.600 -0.217 0.000 2.777 205 M HA 0.442 4.921 4.480 -0.002 0.000 0.307 205 M C 0.017 175.963 176.300 -0.589 0.000 1.228 205 M CA -0.724 54.337 55.300 -0.398 0.000 0.871 205 M CB 2.462 34.833 32.600 -0.382 0.000 1.721 205 M HN 0.512 nan 8.290 nan 0.000 0.487 206 S N -0.664 114.538 115.700 -0.829 0.000 2.638 206 S HA 1.018 5.487 4.470 -0.002 0.000 0.274 206 S C -0.417 173.600 174.600 -0.971 0.000 1.157 206 S CA -0.265 57.355 58.200 -0.966 0.000 0.826 206 S CB 2.003 64.496 63.200 -1.178 0.000 1.139 206 S HN 1.343 nan 8.310 nan 0.000 0.474 207 G N 0.004 108.494 108.800 -0.516 0.000 2.362 207 G HA2 0.091 4.049 3.960 -0.002 0.000 0.517 207 G HA3 0.091 4.049 3.960 -0.002 0.000 0.517 207 G C -1.300 173.562 174.900 -0.064 0.000 1.256 207 G CA -0.647 44.463 45.100 0.018 0.000 1.027 207 G HN 1.056 nan 8.290 nan 0.000 0.491 208 I N 2.049 122.406 120.570 -0.354 0.000 2.256 208 I HA 0.295 4.463 4.170 -0.002 0.000 0.294 208 I C 1.188 177.143 176.117 -0.270 0.000 1.127 208 I CA -0.151 60.866 61.300 -0.470 0.000 1.247 208 I CB -0.259 37.207 38.000 -0.889 0.000 1.460 208 I HN 0.517 nan 8.210 nan 0.000 0.511 209 F N 3.969 123.746 119.950 -0.287 0.000 2.695 209 F HA 0.461 4.987 4.527 -0.002 0.000 0.303 209 F C 0.799 176.510 175.800 -0.150 0.000 1.091 209 F CA -0.563 57.309 58.000 -0.214 0.000 1.300 209 F CB 0.102 38.979 39.000 -0.205 0.000 1.071 209 F HN 0.129 nan 8.300 nan 0.000 0.578 210 R N 0.544 120.617 120.500 -0.711 0.000 2.960 210 R HA 0.246 4.585 4.340 -0.002 0.000 0.249 210 R C -0.700 175.401 176.300 -0.331 0.000 1.192 210 R CA -1.153 54.657 56.100 -0.485 0.000 1.035 210 R CB 0.596 30.518 30.300 -0.631 0.000 1.234 210 R HN -0.035 nan 8.270 nan 0.000 0.493 211 D N 0.930 121.187 120.400 -0.238 0.000 2.449 211 D HA 0.081 4.720 4.640 -0.002 0.000 0.236 211 D C -0.433 175.727 176.300 -0.234 0.000 1.149 211 D CA 0.408 54.298 54.000 -0.183 0.000 0.878 211 D CB 0.754 41.485 40.800 -0.116 0.000 1.198 211 D HN 0.001 nan 8.370 nan 0.000 0.446 212 V N 1.255 121.035 119.914 -0.224 0.000 2.513 212 V HA 0.575 4.693 4.120 -0.002 0.000 0.299 212 V C 0.236 176.210 176.094 -0.201 0.000 1.035 212 V CA -0.588 61.526 62.300 -0.310 0.000 0.889 212 V CB 1.585 33.226 31.823 -0.302 0.000 0.988 212 V HN 0.740 nan 8.190 nan 0.000 0.440 213 S N 4.381 119.940 115.700 -0.234 0.000 2.579 213 S HA 0.801 5.270 4.470 -0.002 0.000 0.272 213 S C -1.323 173.225 174.600 -0.087 0.000 1.141 213 S CA -0.894 57.236 58.200 -0.116 0.000 0.843 213 S CB 1.709 64.875 63.200 -0.055 0.000 1.122 213 S HN 0.482 nan 8.310 nan 0.000 0.468 214 L N 1.794 123.025 121.223 0.013 0.000 2.322 214 L HA 0.661 5.000 4.340 -0.002 0.000 0.281 214 L C -1.234 175.819 176.870 0.306 0.000 1.014 214 L CA -0.926 54.005 54.840 0.151 0.000 0.815 214 L CB 1.654 43.806 42.059 0.154 0.000 1.247 214 L HN 0.692 nan 8.230 nan 0.000 0.421 215 L N 3.511 124.901 121.223 0.278 0.000 2.356 215 L HA 0.437 4.776 4.340 -0.002 0.000 0.277 215 L C -0.589 176.348 176.870 0.110 0.000 0.996 215 L CA -0.138 54.814 54.840 0.187 0.000 0.822 215 L CB 1.335 43.458 42.059 0.106 0.000 1.256 215 L HN 0.462 nan 8.230 nan 0.000 0.413 216 H N 5.487 124.394 119.070 -0.272 0.000 2.517 216 H HA 0.454 5.009 4.556 -0.002 0.000 0.317 216 H C -1.178 173.961 175.328 -0.316 0.000 1.080 216 H CA -0.494 55.267 56.048 -0.479 0.000 1.301 216 H CB 1.039 30.042 29.762 -1.265 0.000 1.425 216 H HN 0.521 nan 8.280 nan 0.000 0.471 217 K N 5.663 125.746 120.400 -0.527 0.000 2.318 217 K HA 0.367 4.685 4.320 -0.002 0.000 0.249 217 K C -2.705 173.663 176.600 -0.387 0.000 0.942 217 K CA -2.051 54.033 56.287 -0.339 0.000 0.808 217 K CB 2.138 34.498 32.500 -0.233 0.000 1.189 217 K HN 0.477 nan 8.250 nan 0.000 0.428 218 P HA 0.133 nan 4.420 nan 0.000 0.274 218 P C 0.508 177.733 177.300 -0.124 0.000 1.246 218 P CA -0.161 62.864 63.100 -0.124 0.000 0.795 218 P CB 0.461 32.124 31.700 -0.061 0.000 1.006 219 T N -1.098 113.408 114.554 -0.081 0.000 2.720 219 T HA -0.061 4.288 4.350 -0.002 0.000 0.268 219 T C 0.619 175.279 174.700 -0.067 0.000 1.037 219 T CA 1.606 63.667 62.100 -0.066 0.000 1.144 219 T CB -0.646 68.201 68.868 -0.035 0.000 0.864 219 T HN 0.440 nan 8.240 nan 0.000 0.444 220 T N 3.590 118.109 114.554 -0.058 0.000 2.733 220 T HA 0.468 4.817 4.350 -0.002 0.000 0.294 220 T C -0.265 174.386 174.700 -0.080 0.000 0.956 220 T CA -0.665 61.392 62.100 -0.072 0.000 0.987 220 T CB 0.772 69.613 68.868 -0.046 0.000 0.920 220 T HN 0.480 nan 8.240 nan 0.000 0.470 221 Q N 2.338 122.075 119.800 -0.105 0.000 2.462 221 Q HA 0.610 4.949 4.340 -0.002 0.000 0.285 221 Q C -1.272 174.655 176.000 -0.121 0.000 1.035 221 Q CA -1.146 54.582 55.803 -0.124 0.000 0.799 221 Q CB 1.392 30.040 28.738 -0.151 0.000 1.452 221 Q HN 0.489 nan 8.270 nan 0.000 0.404 222 I N 2.636 123.107 120.570 -0.165 0.000 2.436 222 I HA 0.021 4.190 4.170 -0.002 0.000 0.289 222 I C 0.804 176.813 176.117 -0.180 0.000 1.083 222 I CA 0.015 61.233 61.300 -0.138 0.000 1.372 222 I CB 0.995 38.878 38.000 -0.194 0.000 1.408 222 I HN 0.884 nan 8.210 nan 0.000 0.516 223 S N 2.637 118.346 115.700 0.015 0.000 2.503 223 S HA 0.173 4.642 4.470 -0.002 0.000 0.215 223 S C 0.228 175.032 174.600 0.339 0.000 1.003 223 S CA -0.186 58.093 58.200 0.133 0.000 0.910 223 S CB 0.262 63.500 63.200 0.064 0.000 0.790 223 S HN 0.696 nan 8.310 nan 0.000 0.514 224 D N -0.222 120.370 120.400 0.320 0.000 2.706 224 D HA 0.519 5.158 4.640 -0.002 0.000 0.227 224 D C -1.849 174.607 176.300 0.260 0.000 1.233 224 D CA -0.701 53.469 54.000 0.284 0.000 0.768 224 D CB 1.730 42.575 40.800 0.075 0.000 1.490 224 D HN 0.220 nan 8.370 nan 0.000 0.458 225 F N 0.326 120.302 119.950 0.043 0.000 2.596 225 F HA 0.648 5.174 4.527 -0.002 0.000 0.311 225 F C -1.482 174.324 175.800 0.009 0.000 1.116 225 F CA -0.830 57.129 58.000 -0.069 0.000 0.957 225 F CB 1.588 40.614 39.000 0.043 0.000 1.250 225 F HN 0.099 nan 8.300 nan 0.000 0.444 226 H N 2.688 121.817 119.070 0.099 0.000 2.489 226 H HA 0.653 5.208 4.556 -0.002 0.000 0.343 226 H C -0.963 174.403 175.328 0.064 0.000 1.086 226 H CA -1.349 54.698 56.048 -0.002 0.000 1.198 226 H CB 2.223 31.968 29.762 -0.030 0.000 1.490 226 H HN 0.658 nan 8.280 nan 0.000 0.504 227 V N 2.099 122.103 119.914 0.151 0.000 2.398 227 V HA 0.664 4.782 4.120 -0.002 0.000 0.286 227 V C 0.288 176.371 176.094 -0.019 0.000 1.026 227 V CA -0.692 61.647 62.300 0.066 0.000 0.868 227 V CB 1.215 33.072 31.823 0.057 0.000 0.982 227 V HN 0.968 nan 8.190 nan 0.000 0.443 228 A N 3.429 126.214 122.820 -0.057 0.000 2.374 228 A HA 0.915 5.234 4.320 -0.002 0.000 0.317 228 A C -0.062 177.405 177.584 -0.195 0.000 1.094 228 A CA -0.542 51.436 52.037 -0.098 0.000 0.765 228 A CB 1.838 20.803 19.000 -0.058 0.000 1.268 228 A HN 0.893 nan 8.150 nan 0.000 0.438 229 T N 0.090 114.504 114.554 -0.235 0.000 2.815 229 T HA 0.709 5.058 4.350 -0.002 0.000 0.289 229 T C -0.388 174.070 174.700 -0.404 0.000 1.000 229 T CA -0.633 61.220 62.100 -0.413 0.000 0.958 229 T CB 0.864 69.374 68.868 -0.597 0.000 0.944 229 T HN 0.675 nan 8.240 nan 0.000 0.442 230 R N 1.892 122.099 120.500 -0.488 0.000 2.732 230 R HA 0.810 5.149 4.340 -0.002 0.000 0.278 230 R C -1.105 174.809 176.300 -0.642 0.000 0.976 230 R CA -0.751 55.136 56.100 -0.356 0.000 0.963 230 R CB 1.411 31.617 30.300 -0.157 0.000 1.150 230 R HN 0.577 nan 8.270 nan 0.000 0.478 231 F N 0.294 120.230 119.950 -0.023 0.000 2.603 231 F HA 0.332 4.858 4.527 -0.002 0.000 0.317 231 F C 0.407 176.079 175.800 -0.214 0.000 1.066 231 F CA -1.200 56.732 58.000 -0.112 0.000 0.941 231 F CB 1.107 39.975 39.000 -0.221 0.000 1.291 231 F HN 0.541 nan 8.300 nan 0.000 0.472 232 N N 0.150 118.838 118.700 -0.020 0.000 2.322 232 N HA 0.030 4.769 4.740 -0.002 0.000 0.270 232 N C 0.543 175.916 175.510 -0.228 0.000 1.286 232 N CA -0.043 52.954 53.050 -0.089 0.000 0.948 232 N CB 0.089 38.555 38.487 -0.035 0.000 1.164 232 N HN 0.677 nan 8.380 nan 0.000 0.551 233 D N -1.350 118.964 120.400 -0.142 0.000 2.182 233 D HA -0.230 4.408 4.640 -0.002 0.000 0.201 233 D C 0.486 176.711 176.300 -0.125 0.000 0.986 233 D CA 1.578 55.497 54.000 -0.135 0.000 0.847 233 D CB -0.521 40.254 40.800 -0.042 0.000 0.942 233 D HN 0.751 nan 8.370 nan 0.000 0.467 234 D N -1.438 118.933 120.400 -0.049 0.000 2.440 234 D HA -0.005 4.634 4.640 -0.002 0.000 0.216 234 D C 0.105 176.575 176.300 0.284 0.000 1.150 234 D CA -0.850 53.228 54.000 0.131 0.000 0.832 234 D CB -0.876 39.994 40.800 0.116 0.000 0.992 234 D HN 0.190 nan 8.370 nan 0.000 0.502 235 F N 0.511 120.514 119.950 0.089 0.000 2.988 235 F HA -0.281 4.245 4.527 -0.002 0.000 0.287 235 F C 1.636 177.517 175.800 0.134 0.000 0.781 235 F CA 0.786 58.851 58.000 0.109 0.000 1.221 235 F CB -2.514 36.444 39.000 -0.070 0.000 1.392 235 F HN 0.198 nan 8.300 nan 0.000 0.425 236 S N -1.391 114.429 115.700 0.201 0.000 2.503 236 S HA 0.238 4.707 4.470 -0.002 0.000 0.217 236 S C 0.724 175.387 174.600 0.106 0.000 0.999 236 S CA -0.024 58.258 58.200 0.138 0.000 0.914 236 S CB 0.447 63.702 63.200 0.092 0.000 0.782 236 S HN 0.419 nan 8.310 nan 0.000 0.520 237 R N 0.526 121.094 120.500 0.114 0.000 2.628 237 R HA 0.776 5.115 4.340 -0.002 0.000 0.288 237 R C -1.374 174.978 176.300 0.087 0.000 0.980 237 R CA -0.272 55.867 56.100 0.064 0.000 0.891 237 R CB 2.244 32.556 30.300 0.020 0.000 1.188 237 R HN 0.308 nan 8.270 nan 0.000 0.450 238 A N 2.183 125.006 122.820 0.005 0.000 2.435 238 A HA 0.668 4.987 4.320 -0.002 0.000 0.304 238 A C -1.103 176.422 177.584 -0.099 0.000 1.064 238 A CA -0.626 51.343 52.037 -0.114 0.000 0.727 238 A CB 1.906 20.858 19.000 -0.080 0.000 1.284 238 A HN 0.381 nan 8.150 nan 0.000 0.415 239 V N 2.354 122.174 119.914 -0.156 0.000 2.384 239 V HA 0.391 4.510 4.120 -0.002 0.000 0.287 239 V C -0.230 175.796 176.094 -0.114 0.000 1.020 239 V CA -0.369 61.871 62.300 -0.101 0.000 0.850 239 V CB 1.276 33.041 31.823 -0.097 0.000 0.987 239 V HN 0.805 nan 8.190 nan 0.000 0.436 240 L N 4.517 125.713 121.223 -0.045 0.000 2.290 240 L HA 0.536 4.875 4.340 -0.002 0.000 0.284 240 L C 0.134 176.957 176.870 -0.079 0.000 1.078 240 L CA 0.116 54.899 54.840 -0.096 0.000 0.815 240 L CB 0.940 42.974 42.059 -0.041 0.000 1.162 240 L HN 0.783 nan 8.230 nan 0.000 0.435 241 E N 4.427 124.574 120.200 -0.088 0.000 2.155 241 E HA 0.601 4.950 4.350 -0.002 0.000 0.264 241 E C -1.331 175.255 176.600 -0.023 0.000 0.886 241 E CA -0.730 55.639 56.400 -0.052 0.000 0.752 241 E CB 1.534 31.204 29.700 -0.051 0.000 1.133 241 E HN 0.708 nan 8.360 nan 0.000 0.414 242 A N 4.836 127.650 122.820 -0.009 0.000 2.285 242 A HA 0.274 4.593 4.320 -0.002 0.000 0.310 242 A C -0.514 177.077 177.584 0.013 0.000 1.266 242 A CA -0.641 51.413 52.037 0.029 0.000 0.832 242 A CB 0.919 19.939 19.000 0.033 0.000 1.163 242 A HN 0.719 nan 8.150 nan 0.000 0.499 243 E N 2.677 122.893 120.200 0.026 0.000 2.200 243 E HA 0.494 4.842 4.350 -0.002 0.000 0.283 243 E C -1.271 175.304 176.600 -0.041 0.000 1.015 243 E CA -0.239 56.144 56.400 -0.028 0.000 0.819 243 E CB 0.996 30.671 29.700 -0.042 0.000 1.081 243 E HN 0.387 nan 8.360 nan 0.000 0.397 244 V N 4.891 124.790 119.914 -0.025 0.000 2.540 244 V HA 0.283 4.402 4.120 -0.002 0.000 0.302 244 V C -0.437 175.719 176.094 0.102 0.000 1.035 244 V CA -0.806 61.520 62.300 0.043 0.000 0.873 244 V CB 1.731 33.559 31.823 0.009 0.000 0.992 244 V HN 0.718 nan 8.190 nan 0.000 0.428 245 Q N 4.144 124.010 119.800 0.110 0.000 2.342 245 Q HA 0.815 5.154 4.340 -0.002 0.000 0.267 245 Q C -0.809 175.258 176.000 0.111 0.000 1.038 245 Q CA -0.844 55.024 55.803 0.108 0.000 0.832 245 Q CB 2.647 31.384 28.738 -0.003 0.000 1.323 245 Q HN 0.824 nan 8.270 nan 0.000 0.448 246 M N -0.784 118.818 119.600 0.004 0.000 2.602 246 M HA 0.722 5.201 4.480 -0.002 0.000 0.312 246 M C -1.320 174.892 176.300 -0.147 0.000 1.181 246 M CA -0.432 54.781 55.300 -0.145 0.000 0.910 246 M CB 1.548 33.854 32.600 -0.491 0.000 1.723 246 M HN 0.484 nan 8.290 nan 0.000 0.459 247 C N 1.181 120.406 119.300 -0.125 0.000 2.562 247 C HA 1.047 5.506 4.460 -0.002 0.000 0.332 247 C C 0.669 175.582 174.990 -0.129 0.000 1.201 247 C CA 0.501 59.457 59.018 -0.104 0.000 1.803 247 C CB 0.961 28.667 27.740 -0.057 0.000 2.328 247 C HN 1.374 nan 8.230 nan 0.000 0.500 248 G N 1.626 110.360 108.800 -0.109 0.000 2.408 248 G HA2 0.062 4.020 3.960 -0.002 0.000 0.682 248 G HA3 0.062 4.020 3.960 -0.002 0.000 0.682 248 G C -1.417 173.412 174.900 -0.120 0.000 1.303 248 G CA -0.833 44.204 45.100 -0.104 0.000 0.966 248 G HN 0.660 nan 8.290 nan 0.000 0.560 249 E N 0.181 120.320 120.200 -0.100 0.000 2.344 249 E HA 0.304 4.653 4.350 -0.002 0.000 0.270 249 E C 0.708 177.209 176.600 -0.164 0.000 1.021 249 E CA -0.173 56.165 56.400 -0.104 0.000 0.887 249 E CB 0.935 30.595 29.700 -0.066 0.000 0.997 249 E HN 0.462 nan 8.360 nan 0.000 0.429 250 L N 4.234 125.356 121.223 -0.168 0.000 2.455 250 L HA 0.139 4.477 4.340 -0.002 0.000 0.272 250 L C 0.783 177.516 176.870 -0.227 0.000 1.174 250 L CA 0.324 55.038 54.840 -0.209 0.000 0.869 250 L CB 0.152 42.121 42.059 -0.149 0.000 1.130 250 L HN 0.131 nan 8.230 nan 0.000 0.474 251 R N 1.857 122.158 120.500 -0.331 0.000 2.621 251 R HA 0.183 4.522 4.340 -0.002 0.000 0.284 251 R C -0.249 175.787 176.300 -0.440 0.000 0.998 251 R CA -0.802 54.998 56.100 -0.500 0.000 0.895 251 R CB 1.801 31.462 30.300 -1.066 0.000 1.195 251 R HN 0.512 nan 8.270 nan 0.000 0.450 252 D N 1.108 121.340 120.400 -0.280 0.000 2.221 252 D HA -0.167 4.472 4.640 -0.002 0.000 0.204 252 D C 1.566 177.822 176.300 -0.074 0.000 0.982 252 D CA 1.636 55.564 54.000 -0.119 0.000 0.857 252 D CB 0.059 40.839 40.800 -0.033 0.000 0.934 252 D HN 0.598 nan 8.370 nan 0.000 0.475 253 Y N -0.281 120.031 120.300 0.020 0.000 2.544 253 Y HA 0.241 4.790 4.550 -0.002 0.000 0.286 253 Y C 0.674 176.583 175.900 0.014 0.000 1.141 253 Y CA -0.405 57.706 58.100 0.017 0.000 1.299 253 Y CB -0.920 37.550 38.460 0.016 0.000 1.030 253 Y HN -0.182 nan 8.280 nan 0.000 0.543 254 L N 3.027 124.204 121.223 -0.076 0.000 2.426 254 L HA 0.268 4.607 4.340 -0.002 0.000 0.271 254 L C 0.140 177.045 176.870 0.058 0.000 1.169 254 L CA 0.040 54.921 54.840 0.069 0.000 0.836 254 L CB 0.432 42.512 42.059 0.034 0.000 1.112 254 L HN 0.181 nan 8.230 nan 0.000 0.465 255 R N 2.312 122.744 120.500 -0.113 0.000 2.808 255 R HA 0.670 5.009 4.340 -0.002 0.000 0.272 255 R C -1.405 174.624 176.300 -0.452 0.000 0.995 255 R CA -0.836 55.050 56.100 -0.357 0.000 0.917 255 R CB 2.135 32.116 30.300 -0.532 0.000 1.217 255 R HN 0.255 nan 8.270 nan 0.000 0.471 256 V N 1.028 120.690 119.914 -0.419 0.000 2.604 256 V HA 0.470 4.588 4.120 -0.002 0.000 0.305 256 V C -0.212 175.842 176.094 -0.067 0.000 1.043 256 V CA -0.555 61.599 62.300 -0.244 0.000 0.888 256 V CB 2.230 33.862 31.823 -0.319 0.000 0.995 256 V HN 0.708 nan 8.190 nan 0.000 0.429 257 T N 4.024 118.649 114.554 0.119 0.000 2.779 257 T HA 0.553 4.901 4.350 -0.002 0.000 0.280 257 T C -0.491 174.228 174.700 0.032 0.000 0.987 257 T CA -0.333 61.834 62.100 0.111 0.000 0.966 257 T CB 1.518 70.486 68.868 0.166 0.000 0.933 257 T HN 0.341 nan 8.240 nan 0.000 0.442 258 V N 4.229 124.141 119.914 -0.002 0.000 2.357 258 V HA 0.588 4.707 4.120 -0.002 0.000 0.284 258 V C 0.160 176.259 176.094 0.008 0.000 1.018 258 V CA -0.743 61.553 62.300 -0.006 0.000 0.841 258 V CB 1.334 33.141 31.823 -0.027 0.000 0.991 258 V HN 1.040 nan 8.190 nan 0.000 0.437 259 S N 5.561 121.294 115.700 0.055 0.000 2.503 259 S HA 0.846 5.315 4.470 -0.002 0.000 0.301 259 S C -1.054 173.587 174.600 0.068 0.000 1.087 259 S CA -0.762 57.450 58.200 0.021 0.000 1.042 259 S CB 2.105 65.358 63.200 0.089 0.000 1.043 259 S HN 0.491 nan 8.310 nan 0.000 0.489 260 L N 2.530 123.693 121.223 -0.100 0.000 2.322 260 L HA 0.776 5.115 4.340 -0.002 0.000 0.281 260 L C -1.908 174.906 176.870 -0.094 0.000 1.014 260 L CA -0.351 54.514 54.840 0.043 0.000 0.815 260 L CB 0.970 43.058 42.059 0.047 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.561 124.966 121.300 0.175 0.000 2.702 261 W HA 0.575 5.234 4.660 -0.002 0.000 0.331 261 W C -0.634 175.986 176.519 0.168 0.000 1.049 261 W CA -0.509 56.917 57.345 0.135 0.000 1.230 261 W CB 1.574 31.064 29.460 0.051 0.000 1.408 261 W HN 0.388 nan 8.180 nan 0.000 0.492 262 Q N 2.570 122.539 119.800 0.282 0.000 2.462 262 Q HA 0.518 4.857 4.340 -0.002 0.000 0.247 262 Q C 0.732 176.787 176.000 0.092 0.000 1.044 262 Q CA 0.772 56.604 55.803 0.048 0.000 0.803 262 Q CB 0.522 29.211 28.738 -0.081 0.000 1.190 262 Q HN 0.731 nan 8.270 nan 0.000 0.507 263 G N 2.816 111.669 108.800 0.089 0.000 2.561 263 G HA2 -0.376 3.583 3.960 -0.002 0.000 0.289 263 G HA3 -0.376 3.583 3.960 -0.002 0.000 0.289 263 G C 0.468 175.463 174.900 0.158 0.000 1.169 263 G CA 0.378 45.524 45.100 0.077 0.000 0.980 263 G HN 0.644 nan 8.290 nan 0.000 0.550 264 E N 0.932 121.220 120.200 0.146 0.000 2.479 264 E HA 0.195 4.544 4.350 -0.002 0.000 0.193 264 E C 0.256 177.089 176.600 0.389 0.000 1.049 264 E CA 0.530 57.056 56.400 0.209 0.000 0.870 264 E CB 0.202 29.959 29.700 0.096 0.000 0.944 264 E HN 0.338 nan 8.360 nan 0.000 0.492 265 T N 1.359 116.098 114.554 0.307 0.000 2.744 265 T HA 0.109 4.458 4.350 -0.002 0.000 0.291 265 T C -0.211 174.489 174.700 -0.000 0.000 0.957 265 T CA -0.395 61.797 62.100 0.153 0.000 1.002 265 T CB 1.495 70.399 68.868 0.059 0.000 0.919 265 T HN 0.026 nan 8.240 nan 0.000 0.468 266 Q N 3.181 122.708 119.800 -0.454 0.000 2.323 266 Q HA 0.240 4.579 4.340 -0.002 0.000 0.257 266 Q C 1.143 176.877 176.000 -0.442 0.000 1.022 266 Q CA -0.482 54.724 55.803 -0.995 0.000 0.919 266 Q CB 0.629 28.527 28.738 -1.401 0.000 1.220 266 Q HN 0.726 nan 8.270 nan 0.000 0.427 267 V N 1.358 121.096 119.914 -0.293 0.000 2.725 267 V HA 0.452 4.571 4.120 -0.002 0.000 0.247 267 V C 0.436 176.434 176.094 -0.159 0.000 1.058 267 V CA 0.927 63.146 62.300 -0.134 0.000 1.080 267 V CB -0.165 31.668 31.823 0.016 0.000 0.713 267 V HN 0.636 nan 8.190 nan 0.000 0.465 268 A N -1.037 121.659 122.820 -0.207 0.000 2.612 268 A HA 0.818 5.137 4.320 -0.002 0.000 0.293 268 A C -0.649 176.828 177.584 -0.178 0.000 1.075 268 A CA 0.201 52.142 52.037 -0.160 0.000 0.680 268 A CB 1.661 20.595 19.000 -0.109 0.000 1.279 268 A HN 0.625 nan 8.150 nan 0.000 0.411 269 S N -1.087 114.537 115.700 -0.126 0.000 2.547 269 S HA 0.792 5.261 4.470 -0.002 0.000 0.270 269 S C -0.666 173.896 174.600 -0.063 0.000 1.150 269 S CA 0.202 58.343 58.200 -0.098 0.000 0.850 269 S CB 1.710 64.841 63.200 -0.114 0.000 1.118 269 S HN 2.333 nan 8.310 nan 0.000 0.461 270 G N 1.568 110.342 108.800 -0.043 0.000 2.746 270 G HA2 0.613 4.572 3.960 -0.002 0.000 0.297 270 G HA3 0.613 4.572 3.960 -0.002 0.000 0.297 270 G C -1.457 173.429 174.900 -0.023 0.000 1.426 270 G CA -0.383 44.695 45.100 -0.037 0.000 0.989 270 G HN 0.686 nan 8.290 nan 0.000 0.520 271 T N 0.149 114.692 114.554 -0.017 0.000 2.861 271 T HA 0.831 5.179 4.350 -0.002 0.000 0.287 271 T C -0.261 174.412 174.700 -0.045 0.000 1.003 271 T CA -0.098 62.001 62.100 -0.002 0.000 0.977 271 T CB 1.750 70.654 68.868 0.059 0.000 0.996 271 T HN 1.441 nan 8.240 nan 0.000 0.448 272 A N 4.022 126.781 122.820 -0.101 0.000 2.594 272 A HA 0.934 5.253 4.320 -0.002 0.000 0.295 272 A C -3.018 174.446 177.584 -0.200 0.000 1.071 272 A CA -1.727 50.232 52.037 -0.130 0.000 0.685 272 A CB 1.412 20.329 19.000 -0.139 0.000 1.285 272 A HN 0.533 nan 8.150 nan 0.000 0.405 273 P HA 0.474 nan 4.420 nan 0.000 0.276 273 P C -0.616 176.576 177.300 -0.181 0.000 1.261 273 P CA -0.195 62.832 63.100 -0.122 0.000 0.800 273 P CB 0.370 32.052 31.700 -0.031 0.000 1.066 274 F N -0.278 119.631 119.950 -0.068 0.000 2.450 274 F HA 0.475 5.001 4.527 -0.002 0.000 0.339 274 F C 1.479 177.260 175.800 -0.032 0.000 1.146 274 F CA 1.431 59.401 58.000 -0.051 0.000 1.267 274 F CB 0.250 39.213 39.000 -0.062 0.000 1.178 274 F HN 0.593 nan 8.300 nan 0.000 0.585 275 G N 1.571 110.486 108.800 0.191 0.000 2.881 275 G HA2 0.318 4.277 3.960 -0.002 0.000 0.597 275 G HA3 0.318 4.277 3.960 -0.002 0.000 0.597 275 G C -0.303 174.644 174.900 0.078 0.000 1.188 275 G CA -0.763 44.407 45.100 0.116 0.000 1.218 275 G HN 1.054 nan 8.290 nan 0.000 0.544 276 G N 0.749 109.615 108.800 0.110 0.000 2.653 276 G HA2 0.611 4.570 3.960 -0.002 0.000 0.265 276 G HA3 0.611 4.570 3.960 -0.002 0.000 0.265 276 G C 0.575 175.514 174.900 0.064 0.000 1.237 276 G CA 0.074 45.227 45.100 0.088 0.000 0.946 276 G HN 1.181 nan 8.290 nan 0.000 0.522 277 E N -0.901 119.330 120.200 0.052 0.000 2.418 277 E HA 0.064 4.413 4.350 -0.002 0.000 0.261 277 E C -0.230 176.395 176.600 0.041 0.000 1.070 277 E CA -0.336 56.085 56.400 0.036 0.000 0.931 277 E CB 0.733 30.450 29.700 0.028 0.000 0.954 277 E HN 0.289 nan 8.360 nan 0.000 0.439 278 I N 2.598 123.180 120.570 0.021 0.000 2.668 278 I HA -0.091 4.078 4.170 -0.002 0.000 0.285 278 I C 1.166 177.292 176.117 0.015 0.000 1.168 278 I CA 0.394 61.699 61.300 0.009 0.000 1.424 278 I CB 0.143 38.143 38.000 -0.000 0.000 1.377 278 I HN 0.603 nan 8.210 nan 0.000 0.560 279 I N 1.304 121.880 120.570 0.009 0.000 4.244 279 I HA 0.314 4.483 4.170 -0.002 0.000 0.318 279 I C -0.029 176.089 176.117 0.000 0.000 1.282 279 I CA -0.026 61.286 61.300 0.020 0.000 1.276 279 I CB 0.343 38.379 38.000 0.059 0.000 1.183 279 I HN 0.596 nan 8.210 nan 0.000 0.431 280 D N -0.232 120.155 120.400 -0.022 0.000 2.895 280 D HA 0.220 4.859 4.640 -0.002 0.000 0.320 280 D C 0.369 176.653 176.300 -0.028 0.000 1.249 280 D CA -0.522 53.465 54.000 -0.023 0.000 0.997 280 D CB 0.540 41.325 40.800 -0.026 0.000 1.430 280 D HN -0.131 nan 8.370 nan 0.000 0.558 281 E N -1.096 119.089 120.200 -0.025 0.000 2.204 281 E HA -0.020 4.329 4.350 -0.002 0.000 0.195 281 E C 1.292 177.873 176.600 -0.032 0.000 0.990 281 E CA 0.896 57.282 56.400 -0.024 0.000 0.821 281 E CB 0.012 29.701 29.700 -0.019 0.000 0.750 281 E HN 0.196 nan 8.360 nan 0.000 0.477 282 R N -0.168 120.305 120.500 -0.046 0.000 2.334 282 R HA 0.270 4.608 4.340 -0.002 0.000 0.220 282 R C 0.794 177.052 176.300 -0.070 0.000 0.917 282 R CA 0.674 56.740 56.100 -0.057 0.000 1.073 282 R CB 0.355 30.613 30.300 -0.069 0.000 1.056 282 R HN 0.219 nan 8.270 nan 0.000 0.506 283 G N -0.511 108.252 108.800 -0.062 0.000 2.464 283 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.216 283 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.216 283 G C -0.080 174.774 174.900 -0.076 0.000 1.186 283 G CA -0.581 44.484 45.100 -0.057 0.000 1.010 283 G HN 0.510 nan 8.290 nan 0.000 0.585 284 G N -2.037 106.719 108.800 -0.074 0.000 3.105 284 G HA2 0.646 4.604 3.960 -0.002 0.000 0.277 284 G HA3 0.646 4.604 3.960 -0.002 0.000 0.277 284 G C -1.423 173.405 174.900 -0.120 0.000 1.375 284 G CA -0.701 44.359 45.100 -0.067 0.000 0.962 284 G HN 0.780 nan 8.290 nan 0.000 0.541 285 Y N 0.995 121.308 120.300 0.021 0.000 2.486 285 Y HA 0.394 4.943 4.550 -0.002 0.000 0.348 285 Y C 1.486 177.410 175.900 0.040 0.000 1.000 285 Y CA 0.263 58.380 58.100 0.027 0.000 1.253 285 Y CB 1.650 40.132 38.460 0.037 0.000 1.140 285 Y HN 0.530 nan 8.280 nan 0.000 0.526 286 A N 1.937 124.835 122.820 0.129 0.000 2.066 286 A HA -0.132 4.187 4.320 -0.002 0.000 0.218 286 A C 1.405 179.055 177.584 0.109 0.000 1.157 286 A CA 1.321 53.414 52.037 0.093 0.000 0.670 286 A CB -0.254 18.760 19.000 0.023 0.000 0.804 286 A HN 0.800 nan 8.150 nan 0.000 0.453 287 D N -0.898 119.572 120.400 0.117 0.000 2.358 287 D HA 0.121 4.760 4.640 -0.002 0.000 0.224 287 D C 0.449 176.850 176.300 0.168 0.000 1.123 287 D CA -0.049 53.951 54.000 -0.000 0.000 0.833 287 D CB -0.032 40.750 40.800 -0.031 0.000 0.946 287 D HN 0.356 nan 8.370 nan 0.000 0.505 288 R N -0.569 120.136 120.500 0.342 0.000 2.795 288 R HA 0.720 5.059 4.340 -0.002 0.000 0.275 288 R C -1.592 174.852 176.300 0.241 0.000 0.981 288 R CA -1.105 55.176 56.100 0.301 0.000 0.917 288 R CB 3.176 33.522 30.300 0.078 0.000 1.202 288 R HN -0.017 nan 8.270 nan 0.000 0.469 289 V N 0.757 120.686 119.914 0.025 0.000 2.932 289 V HA 0.506 4.625 4.120 -0.002 0.000 0.307 289 V C -1.355 174.672 176.094 -0.112 0.000 1.147 289 V CA -0.288 61.926 62.300 -0.142 0.000 0.951 289 V CB 2.693 34.234 31.823 -0.470 0.000 1.031 289 V HN 0.803 nan 8.190 nan 0.000 0.426 290 T N 7.510 122.014 114.554 -0.083 0.000 2.792 290 T HA 0.654 5.003 4.350 -0.002 0.000 0.280 290 T C -0.603 174.054 174.700 -0.072 0.000 0.990 290 T CA -0.184 61.879 62.100 -0.062 0.000 0.960 290 T CB 1.068 69.916 68.868 -0.033 0.000 0.939 290 T HN 0.520 nan 8.240 nan 0.000 0.439 291 L N 3.591 124.773 121.223 -0.069 0.000 2.317 291 L HA 0.615 4.954 4.340 -0.002 0.000 0.281 291 L C 0.398 177.239 176.870 -0.048 0.000 1.024 291 L CA -0.742 54.059 54.840 -0.064 0.000 0.810 291 L CB 1.354 43.371 42.059 -0.070 0.000 1.240 291 L HN 0.381 nan 8.230 nan 0.000 0.427 292 R N 4.255 124.727 120.500 -0.047 0.000 2.409 292 R HA 0.614 4.953 4.340 -0.002 0.000 0.313 292 R C -1.449 174.825 176.300 -0.044 0.000 0.953 292 R CA -0.560 55.514 56.100 -0.045 0.000 0.849 292 R CB 1.427 31.701 30.300 -0.043 0.000 1.171 292 R HN 0.475 nan 8.270 nan 0.000 0.458 293 L N 2.921 124.120 121.223 -0.041 0.000 2.313 293 L HA 0.447 4.786 4.340 -0.002 0.000 0.283 293 L C -0.212 176.634 176.870 -0.040 0.000 1.013 293 L CA -1.125 53.691 54.840 -0.041 0.000 0.816 293 L CB 1.441 43.479 42.059 -0.035 0.000 1.236 293 L HN 0.452 nan 8.230 nan 0.000 0.419 294 N N 2.597 121.267 118.700 -0.049 0.000 2.488 294 N HA 0.345 5.084 4.740 -0.002 0.000 0.274 294 N C -0.740 174.727 175.510 -0.072 0.000 1.111 294 N CA -0.161 52.857 53.050 -0.054 0.000 0.974 294 N CB 2.442 40.900 38.487 -0.048 0.000 1.089 294 N HN 0.234 nan 8.380 nan 0.000 0.465 295 V N 2.381 122.241 119.914 -0.090 0.000 2.482 295 V HA 0.175 4.294 4.120 -0.002 0.000 0.295 295 V C -0.169 175.850 176.094 -0.125 0.000 1.026 295 V CA -0.885 61.321 62.300 -0.158 0.000 0.856 295 V CB 1.812 33.430 31.823 -0.342 0.000 1.001 295 V HN 0.450 nan 8.190 nan 0.000 0.424 296 E N 2.968 123.116 120.200 -0.087 0.000 2.283 296 E HA 0.271 4.620 4.350 -0.002 0.000 0.278 296 E C 0.255 176.833 176.600 -0.036 0.000 1.027 296 E CA -0.366 56.008 56.400 -0.043 0.000 0.843 296 E CB 0.498 30.181 29.700 -0.028 0.000 1.062 296 E HN 0.748 nan 8.360 nan 0.000 0.401 297 N N 1.413 120.116 118.700 0.004 0.000 2.686 297 N HA -0.152 4.587 4.740 -0.002 0.000 0.261 297 N C -2.432 173.085 175.510 0.012 0.000 1.001 297 N CA 0.118 53.186 53.050 0.031 0.000 0.764 297 N CB -0.996 37.510 38.487 0.032 0.000 0.898 297 N HN 0.341 nan 8.380 nan 0.000 0.544 298 P HA -0.005 nan 4.420 nan 0.000 0.269 298 P C -0.370 176.969 177.300 0.065 0.000 1.209 298 P CA 0.285 63.300 63.100 -0.140 0.000 0.776 298 P CB 0.755 32.159 31.700 -0.493 0.000 0.876 299 K N 2.519 123.038 120.400 0.198 0.000 2.349 299 K HA 0.264 4.583 4.320 -0.002 0.000 0.288 299 K C 0.185 176.941 176.600 0.260 0.000 1.058 299 K CA -0.313 56.078 56.287 0.174 0.000 0.953 299 K CB 0.217 32.770 32.500 0.089 0.000 0.997 299 K HN 0.437 nan 8.250 nan 0.000 0.477 300 L N 2.719 124.022 121.223 0.133 0.000 2.350 300 L HA 0.301 4.640 4.340 -0.002 0.000 0.275 300 L C -0.055 176.876 176.870 0.103 0.000 1.099 300 L CA -0.884 54.029 54.840 0.122 0.000 0.808 300 L CB 0.498 42.475 42.059 -0.137 0.000 1.149 300 L HN 0.601 nan 8.230 nan 0.000 0.442 301 W N 3.698 125.020 121.300 0.037 0.000 2.315 301 W HA 0.451 5.109 4.660 -0.002 0.000 0.316 301 W C 0.120 176.584 176.519 -0.091 0.000 1.211 301 W CA 0.171 57.525 57.345 0.014 0.000 1.201 301 W CB 1.198 30.722 29.460 0.106 0.000 1.184 301 W HN 0.628 nan 8.180 nan 0.000 0.544 302 S N 3.075 118.265 115.700 -0.850 0.000 2.656 302 S HA 0.663 5.132 4.470 -0.002 0.000 0.273 302 S C 0.229 174.046 174.600 -1.305 0.000 1.168 302 S CA -0.378 57.339 58.200 -0.805 0.000 0.817 302 S CB 1.161 64.129 63.200 -0.387 0.000 1.146 302 S HN 0.931 nan 8.310 nan 0.000 0.475 303 A N 0.534 122.766 122.820 -0.979 0.000 1.969 303 A HA 0.021 4.340 4.320 -0.002 0.000 0.218 303 A C 1.809 179.071 177.584 -0.537 0.000 1.169 303 A CA 1.561 53.047 52.037 -0.918 0.000 0.635 303 A CB -1.042 17.286 19.000 -1.121 0.000 0.810 303 A HN 0.876 nan 8.150 nan 0.000 0.445 304 E N -0.686 119.325 120.200 -0.314 0.000 2.047 304 E HA -0.016 4.333 4.350 -0.002 0.000 0.191 304 E C -0.172 176.279 176.600 -0.248 0.000 0.987 304 E CA 0.814 57.087 56.400 -0.213 0.000 0.799 304 E CB -0.065 29.638 29.700 0.006 0.000 0.752 304 E HN 0.612 nan 8.360 nan 0.000 0.449 305 I N 1.722 122.125 120.570 -0.279 0.000 2.542 305 I HA 0.163 4.332 4.170 -0.002 0.000 0.278 305 I C -2.490 173.398 176.117 -0.380 0.000 1.069 305 I CA -1.992 59.163 61.300 -0.243 0.000 1.100 305 I CB 2.200 40.112 38.000 -0.145 0.000 1.204 305 I HN -0.193 nan 8.210 nan 0.000 0.470 306 P HA 0.103 nan 4.420 nan 0.000 0.220 306 P C -0.662 176.610 177.300 -0.048 0.000 1.806 306 P CA -0.356 62.422 63.100 -0.536 0.000 0.976 306 P CB -0.250 31.279 31.700 -0.285 0.000 1.952 307 N N 1.949 120.649 118.700 -0.000 0.000 2.411 307 N HA 0.066 4.805 4.740 -0.002 0.000 0.265 307 N C 0.069 175.787 175.510 0.346 0.000 1.266 307 N CA 0.590 53.717 53.050 0.128 0.000 0.889 307 N CB 0.614 39.163 38.487 0.104 0.000 1.069 307 N HN 0.335 nan 8.380 nan 0.000 0.476 308 L N 2.650 123.999 121.223 0.211 0.000 2.354 308 L HA 0.468 4.806 4.340 -0.002 0.000 0.269 308 L C -0.665 176.280 176.870 0.126 0.000 1.005 308 L CA -0.894 54.109 54.840 0.272 0.000 0.819 308 L CB 1.185 43.380 42.059 0.227 0.000 1.311 308 L HN 0.379 nan 8.230 nan 0.000 0.423 309 Y N 0.481 120.928 120.300 0.244 0.000 2.567 309 Y HA 0.607 5.156 4.550 -0.002 0.000 0.333 309 Y C -0.051 175.966 175.900 0.196 0.000 1.106 309 Y CA -0.785 57.456 58.100 0.234 0.000 1.157 309 Y CB 1.532 40.184 38.460 0.321 0.000 1.277 309 Y HN 0.386 nan 8.280 nan 0.000 0.490 310 R N 1.220 121.944 120.500 0.374 0.000 2.387 310 R HA 0.769 5.107 4.340 -0.002 0.000 0.314 310 R C -1.484 175.004 176.300 0.314 0.000 0.958 310 R CA -0.491 55.767 56.100 0.263 0.000 0.846 310 R CB 0.824 31.212 30.300 0.148 0.000 1.147 310 R HN 0.741 nan 8.270 nan 0.000 0.447 311 A N 4.247 127.196 122.820 0.215 0.000 2.260 311 A HA 0.558 4.877 4.320 -0.002 0.000 0.314 311 A C -0.958 176.686 177.584 0.101 0.000 1.257 311 A CA -0.652 51.492 52.037 0.178 0.000 0.871 311 A CB 1.073 20.150 19.000 0.128 0.000 1.166 311 A HN 0.504 nan 8.150 nan 0.000 0.522 312 V N 3.529 123.513 119.914 0.118 0.000 2.398 312 V HA 0.359 4.478 4.120 -0.002 0.000 0.286 312 V C -0.239 175.836 176.094 -0.031 0.000 1.026 312 V CA -0.483 61.824 62.300 0.012 0.000 0.868 312 V CB 1.549 33.388 31.823 0.025 0.000 0.982 312 V HN 0.592 nan 8.190 nan 0.000 0.443 313 V N 4.844 124.672 119.914 -0.142 0.000 2.311 313 V HA 0.378 4.497 4.120 -0.002 0.000 0.275 313 V C 0.029 176.063 176.094 -0.101 0.000 1.022 313 V CA -0.560 61.628 62.300 -0.187 0.000 0.830 313 V CB 0.995 32.537 31.823 -0.467 0.000 1.012 313 V HN 0.915 nan 8.190 nan 0.000 0.452 314 E N 3.781 123.978 120.200 -0.005 0.000 2.156 314 E HA 0.483 4.832 4.350 -0.002 0.000 0.279 314 E C -0.901 175.787 176.600 0.145 0.000 0.965 314 E CA -0.785 55.662 56.400 0.078 0.000 0.789 314 E CB 2.335 32.103 29.700 0.112 0.000 1.098 314 E HN 0.465 nan 8.360 nan 0.000 0.397 315 L N 4.755 126.045 121.223 0.112 0.000 2.282 315 L HA 0.396 4.735 4.340 -0.002 0.000 0.288 315 L C -0.960 176.016 176.870 0.177 0.000 1.033 315 L CA 0.054 54.960 54.840 0.110 0.000 0.807 315 L CB 0.217 42.322 42.059 0.077 0.000 1.209 315 L HN 0.666 nan 8.230 nan 0.000 0.423 316 H N 0.114 119.240 119.070 0.092 0.000 2.981 316 H HA 0.646 5.201 4.556 -0.002 0.000 0.327 316 H C -0.701 174.710 175.328 0.138 0.000 1.342 316 H CA -0.508 55.592 56.048 0.087 0.000 1.123 316 H CB 0.459 30.250 29.762 0.049 0.000 1.851 316 H HN 0.552 nan 8.280 nan 0.000 0.531 317 T N -1.560 113.135 114.554 0.235 0.000 2.828 317 T HA 0.417 4.766 4.350 -0.002 0.000 0.290 317 T C 1.615 176.460 174.700 0.242 0.000 1.019 317 T CA -0.222 62.007 62.100 0.214 0.000 1.031 317 T CB 1.129 70.024 68.868 0.045 0.000 1.001 317 T HN 0.973 nan 8.240 nan 0.000 0.531 318 A N 0.726 123.660 122.820 0.191 0.000 1.927 318 A HA -0.133 4.186 4.320 -0.002 0.000 0.220 318 A C 1.897 179.573 177.584 0.154 0.000 1.185 318 A CA 2.107 54.239 52.037 0.157 0.000 0.639 318 A CB -1.136 17.941 19.000 0.129 0.000 0.820 318 A HN 0.935 nan 8.150 nan 0.000 0.451 319 D N -2.105 118.360 120.400 0.109 0.000 2.319 319 D HA 0.331 4.970 4.640 -0.002 0.000 0.230 319 D C 1.007 177.342 176.300 0.059 0.000 1.094 319 D CA 1.022 55.062 54.000 0.067 0.000 0.856 319 D CB -0.234 40.582 40.800 0.027 0.000 0.915 319 D HN 0.601 nan 8.370 nan 0.000 0.517 320 G N -0.029 108.843 108.800 0.121 0.000 2.130 320 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.216 320 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.216 320 G C 0.337 175.239 174.900 0.003 0.000 0.999 320 G CA 0.154 45.256 45.100 0.003 0.000 0.686 320 G HN 0.314 nan 8.290 nan 0.000 0.515 321 T N 1.354 115.945 114.554 0.062 0.000 2.737 321 T HA 0.458 4.807 4.350 -0.002 0.000 0.296 321 T C 0.465 175.218 174.700 0.088 0.000 0.922 321 T CA -0.212 61.913 62.100 0.041 0.000 1.079 321 T CB 1.732 70.608 68.868 0.013 0.000 0.892 321 T HN 0.530 nan 8.240 nan 0.000 0.514 322 L N 5.158 126.415 121.223 0.057 0.000 2.410 322 L HA 0.296 4.635 4.340 -0.002 0.000 0.273 322 L C 0.908 177.821 176.870 0.072 0.000 1.144 322 L CA 0.351 55.239 54.840 0.080 0.000 0.863 322 L CB 0.015 42.096 42.059 0.036 0.000 1.140 322 L HN 0.677 nan 8.230 nan 0.000 0.463 323 I N 2.793 123.418 120.570 0.091 0.000 2.364 323 I HA 0.062 4.231 4.170 -0.002 0.000 0.241 323 I C 0.398 176.534 176.117 0.031 0.000 1.082 323 I CA 0.616 61.950 61.300 0.056 0.000 1.401 323 I CB 0.071 38.108 38.000 0.060 0.000 1.126 323 I HN 0.795 nan 8.210 nan 0.000 0.429 324 E N 0.219 120.438 120.200 0.032 0.000 2.416 324 E HA 0.708 5.057 4.350 -0.002 0.000 0.280 324 E C -1.504 175.115 176.600 0.030 0.000 1.055 324 E CA -1.084 55.326 56.400 0.018 0.000 0.825 324 E CB 1.899 31.576 29.700 -0.040 0.000 1.312 324 E HN 0.017 nan 8.360 nan 0.000 0.452 325 A N 1.377 124.238 122.820 0.069 0.000 2.371 325 A HA 0.666 4.985 4.320 -0.002 0.000 0.311 325 A C -0.876 176.801 177.584 0.156 0.000 1.068 325 A CA -0.734 51.348 52.037 0.075 0.000 0.744 325 A CB 1.492 20.536 19.000 0.073 0.000 1.239 325 A HN 0.529 nan 8.150 nan 0.000 0.435 326 E N -0.157 120.059 120.200 0.028 0.000 2.316 326 E HA 0.848 5.196 4.350 -0.002 0.000 0.258 326 E C -0.496 176.126 176.600 0.036 0.000 0.952 326 E CA -0.607 55.864 56.400 0.119 0.000 0.818 326 E CB 2.350 31.998 29.700 -0.088 0.000 1.260 326 E HN 1.134 nan 8.360 nan 0.000 0.416 327 A N -0.120 122.835 122.820 0.224 0.000 2.608 327 A HA 0.669 4.988 4.320 -0.002 0.000 0.292 327 A C -1.051 176.731 177.584 0.330 0.000 1.066 327 A CA -0.489 51.632 52.037 0.140 0.000 0.676 327 A CB 0.692 19.682 19.000 -0.016 0.000 1.277 327 A HN 0.822 nan 8.150 nan 0.000 0.413 328 C N -0.432 119.016 119.300 0.246 0.000 3.288 328 C HA 0.839 5.297 4.460 -0.002 0.000 0.318 328 C C -1.340 173.741 174.990 0.153 0.000 1.356 328 C CA -0.940 58.216 59.018 0.230 0.000 1.359 328 C CB 1.293 29.184 27.740 0.252 0.000 1.688 328 C HN 0.804 nan 8.230 nan 0.000 0.467 329 D N 1.337 121.810 120.400 0.122 0.000 2.308 329 D HA 0.487 5.126 4.640 -0.002 0.000 0.251 329 D C -0.328 176.023 176.300 0.085 0.000 1.127 329 D CA 0.184 54.257 54.000 0.122 0.000 0.876 329 D CB 1.805 42.679 40.800 0.124 0.000 1.176 329 D HN 0.519 nan 8.370 nan 0.000 0.446 330 V N 1.468 121.465 119.914 0.138 0.000 2.417 330 V HA 0.610 4.729 4.120 -0.002 0.000 0.291 330 V C 0.689 176.871 176.094 0.146 0.000 1.024 330 V CA -0.805 61.536 62.300 0.068 0.000 0.861 330 V CB 1.914 33.762 31.823 0.042 0.000 0.985 330 V HN 0.614 nan 8.190 nan 0.000 0.436 331 G N 3.338 112.121 108.800 -0.028 0.000 2.437 331 G HA2 0.577 4.536 3.960 -0.002 0.000 0.315 331 G HA3 0.577 4.536 3.960 -0.002 0.000 0.315 331 G C -0.859 174.134 174.900 0.155 0.000 1.210 331 G CA -0.400 44.755 45.100 0.091 0.000 0.943 331 G HN 0.462 nan 8.290 nan 0.000 0.471 332 F N 2.658 122.809 119.950 0.334 0.000 2.494 332 F HA 0.379 4.905 4.527 -0.002 0.000 0.351 332 F C 1.173 177.230 175.800 0.427 0.000 1.205 332 F CA -0.078 58.183 58.000 0.435 0.000 1.125 332 F CB 0.472 39.736 39.000 0.441 0.000 1.268 332 F HN 0.536 nan 8.300 nan 0.000 0.593 333 R N 1.235 122.029 120.500 0.491 0.000 2.643 333 R HA 0.506 4.845 4.340 -0.002 0.000 0.269 333 R C -1.533 174.942 176.300 0.292 0.000 1.037 333 R CA -1.037 55.198 56.100 0.226 0.000 0.894 333 R CB 1.593 32.055 30.300 0.270 0.000 1.238 333 R HN 0.404 nan 8.270 nan 0.000 0.459 334 E N 2.329 122.601 120.200 0.121 0.000 2.171 334 E HA 0.417 4.766 4.350 -0.002 0.000 0.271 334 E C -1.198 175.484 176.600 0.137 0.000 0.916 334 E CA -1.015 55.538 56.400 0.256 0.000 0.774 334 E CB 1.906 31.852 29.700 0.410 0.000 1.128 334 E HN 0.457 nan 8.360 nan 0.000 0.403 335 V N 5.785 125.771 119.914 0.120 0.000 2.409 335 V HA 0.529 4.647 4.120 -0.002 0.000 0.291 335 V C -0.225 175.913 176.094 0.074 0.000 1.020 335 V CA -0.650 61.689 62.300 0.066 0.000 0.848 335 V CB 1.060 32.898 31.823 0.025 0.000 0.990 335 V HN 0.715 nan 8.190 nan 0.000 0.430 336 R N 4.227 124.768 120.500 0.068 0.000 2.707 336 R HA 0.753 5.091 4.340 -0.002 0.000 0.272 336 R C -1.854 174.476 176.300 0.049 0.000 1.011 336 R CA -0.931 55.210 56.100 0.067 0.000 0.893 336 R CB 1.980 32.334 30.300 0.089 0.000 1.233 336 R HN 0.497 nan 8.270 nan 0.000 0.464 337 I N 1.478 122.076 120.570 0.046 0.000 2.336 337 I HA 0.332 4.500 4.170 -0.002 0.000 0.292 337 I C -0.394 175.747 176.117 0.041 0.000 0.991 337 I CA -0.311 61.011 61.300 0.037 0.000 1.227 337 I CB 1.664 39.686 38.000 0.037 0.000 1.366 337 I HN 0.694 nan 8.210 nan 0.000 0.466 338 E N 5.803 126.023 120.200 0.034 0.000 2.290 338 E HA 0.233 4.582 4.350 -0.002 0.000 0.274 338 E C -0.314 176.301 176.600 0.026 0.000 0.889 338 E CA -0.605 55.816 56.400 0.035 0.000 0.760 338 E CB 1.104 30.831 29.700 0.044 0.000 1.206 338 E HN 0.554 nan 8.360 nan 0.000 0.419 339 N N 3.013 121.727 118.700 0.024 0.000 2.708 339 N HA -0.239 4.500 4.740 -0.002 0.000 0.249 339 N C 0.438 175.956 175.510 0.013 0.000 1.097 339 N CA 2.045 55.105 53.050 0.018 0.000 0.710 339 N CB -1.130 37.366 38.487 0.016 0.000 1.032 339 N HN 0.958 nan 8.380 nan 0.000 0.551 340 G N -2.254 106.555 108.800 0.014 0.000 2.159 340 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.256 340 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.256 340 G C -0.117 174.781 174.900 -0.003 0.000 0.977 340 G CA 0.464 45.569 45.100 0.008 0.000 0.652 340 G HN 0.455 nan 8.290 nan 0.000 0.531 341 L N 0.058 121.279 121.223 -0.002 0.000 2.346 341 L HA 0.666 5.005 4.340 -0.002 0.000 0.276 341 L C 0.264 177.127 176.870 -0.013 0.000 1.006 341 L CA -1.320 53.511 54.840 -0.015 0.000 0.817 341 L CB 1.844 43.894 42.059 -0.015 0.000 1.272 341 L HN 0.101 nan 8.230 nan 0.000 0.421 342 L N 4.726 125.930 121.223 -0.031 0.000 2.369 342 L HA 0.350 4.689 4.340 -0.002 0.000 0.279 342 L C -0.758 176.091 176.870 -0.035 0.000 1.108 342 L CA 0.547 55.368 54.840 -0.031 0.000 0.852 342 L CB 0.140 42.167 42.059 -0.053 0.000 1.169 342 L HN 0.395 nan 8.230 nan 0.000 0.452 343 L N 6.050 127.269 121.223 -0.008 0.000 2.334 343 L HA 0.528 4.867 4.340 -0.002 0.000 0.276 343 L C -0.773 176.102 176.870 0.008 0.000 1.014 343 L CA -0.797 54.047 54.840 0.007 0.000 0.815 343 L CB 1.846 43.932 42.059 0.045 0.000 1.268 343 L HN 0.533 nan 8.230 nan 0.000 0.428 344 L N 4.041 125.274 121.223 0.018 0.000 2.343 344 L HA 0.480 4.819 4.340 -0.002 0.000 0.278 344 L C -0.223 176.660 176.870 0.022 0.000 0.996 344 L CA -0.036 54.821 54.840 0.029 0.000 0.831 344 L CB 0.891 42.967 42.059 0.029 0.000 1.232 344 L HN 0.585 nan 8.230 nan 0.000 0.413 345 N N 4.214 122.790 118.700 -0.207 0.000 2.727 345 N HA -0.220 4.519 4.740 -0.002 0.000 0.249 345 N C 0.942 176.098 175.510 -0.590 0.000 1.048 345 N CA 1.306 53.874 53.050 -0.803 0.000 0.714 345 N CB -1.256 36.682 38.487 -0.916 0.000 0.959 345 N HN 1.179 nan 8.380 nan 0.000 0.544 346 G N -1.989 106.771 108.800 -0.067 0.000 2.184 346 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.264 346 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.264 346 G C -0.075 174.863 174.900 0.062 0.000 0.975 346 G CA 0.883 46.061 45.100 0.129 0.000 0.642 346 G HN 0.406 nan 8.290 nan 0.000 0.536 347 K N 0.914 121.335 120.400 0.034 0.000 2.221 347 K HA 0.514 4.833 4.320 -0.002 0.000 0.258 347 K C -2.728 173.845 176.600 -0.045 0.000 0.944 347 K CA -2.287 53.979 56.287 -0.035 0.000 0.823 347 K CB 2.480 34.875 32.500 -0.174 0.000 1.113 347 K HN 0.072 nan 8.250 nan 0.000 0.431 348 P HA 0.158 nan 4.420 nan 0.000 0.276 348 P C -0.064 177.179 177.300 -0.096 0.000 1.253 348 P CA -0.196 62.862 63.100 -0.069 0.000 0.766 348 P CB 0.521 32.183 31.700 -0.063 0.000 0.845 349 L N 3.574 124.737 121.223 -0.101 0.000 2.452 349 L HA 0.214 4.553 4.340 -0.002 0.000 0.267 349 L C 0.701 177.497 176.870 -0.122 0.000 1.188 349 L CA -0.503 54.267 54.840 -0.116 0.000 0.821 349 L CB 0.313 42.263 42.059 -0.181 0.000 1.102 349 L HN 0.285 nan 8.230 nan 0.000 0.470 350 L N 4.467 125.636 121.223 -0.090 0.000 2.345 350 L HA 0.417 4.756 4.340 -0.002 0.000 0.274 350 L C -0.474 176.350 176.870 -0.077 0.000 0.999 350 L CA -0.219 54.549 54.840 -0.120 0.000 0.849 350 L CB 0.970 42.992 42.059 -0.062 0.000 1.220 350 L HN 0.257 nan 8.230 nan 0.000 0.422 351 I N 5.252 125.696 120.570 -0.209 0.000 2.363 351 I HA 0.205 4.374 4.170 -0.002 0.000 0.292 351 I C 0.533 176.590 176.117 -0.100 0.000 1.075 351 I CA 0.123 61.308 61.300 -0.192 0.000 1.333 351 I CB 0.412 38.176 38.000 -0.392 0.000 1.415 351 I HN 0.560 nan 8.210 nan 0.000 0.502 352 R N 4.716 125.268 120.500 0.087 0.000 3.070 352 R HA 0.424 4.762 4.340 -0.002 0.000 0.252 352 R C 0.554 176.996 176.300 0.238 0.000 1.370 352 R CA -0.258 55.962 56.100 0.200 0.000 1.482 352 R CB 0.694 30.959 30.300 -0.060 0.000 1.220 352 R HN 0.747 nan 8.270 nan 0.000 0.622 353 G N 0.099 108.986 108.800 0.145 0.000 2.471 353 G HA2 0.563 4.522 3.960 -0.002 0.000 0.332 353 G HA3 0.563 4.522 3.960 -0.002 0.000 0.332 353 G C -1.283 173.910 174.900 0.488 0.000 1.176 353 G CA -0.455 44.700 45.100 0.092 0.000 0.949 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.554 120.735 119.914 0.444 0.000 2.888 354 V HA 0.433 4.552 4.120 -0.002 0.000 0.309 354 V C -0.867 175.366 176.094 0.231 0.000 1.114 354 V CA -1.229 61.225 62.300 0.257 0.000 0.940 354 V CB 2.139 33.833 31.823 -0.214 0.000 1.021 354 V HN 0.778 nan 8.190 nan 0.000 0.426 355 N N 4.437 123.211 118.700 0.123 0.000 2.520 355 N HA 0.359 5.098 4.740 -0.002 0.000 0.273 355 N C -0.621 174.720 175.510 -0.281 0.000 1.155 355 N CA -0.157 52.829 53.050 -0.106 0.000 0.967 355 N CB 1.181 39.597 38.487 -0.118 0.000 1.092 355 N HN 0.568 nan 8.380 nan 0.000 0.457 356 R N 2.196 122.486 120.500 -0.351 0.000 2.500 356 R HA 0.179 4.518 4.340 -0.002 0.000 0.299 356 R C -0.828 175.218 176.300 -0.423 0.000 1.038 356 R CA -0.561 55.339 56.100 -0.333 0.000 0.903 356 R CB 0.639 30.733 30.300 -0.343 0.000 1.177 356 R HN 0.598 nan 8.270 nan 0.000 0.455 357 H N 2.082 120.967 119.070 -0.307 0.000 2.607 357 H HA 0.085 4.640 4.556 -0.002 0.000 0.367 357 H C -0.374 174.924 175.328 -0.050 0.000 1.181 357 H CA 0.317 56.269 56.048 -0.160 0.000 1.402 357 H CB 1.196 30.918 29.762 -0.067 0.000 1.474 357 H HN 0.543 nan 8.280 nan 0.000 0.596 358 E N 1.970 122.338 120.200 0.280 0.000 2.003 358 E HA 0.103 4.452 4.350 -0.002 0.000 0.279 358 E C -0.599 176.143 176.600 0.235 0.000 1.132 358 E CA 0.052 56.558 56.400 0.176 0.000 0.888 358 E CB 0.295 30.114 29.700 0.198 0.000 1.056 358 E HN 0.394 nan 8.360 nan 0.000 0.399 359 H N 1.816 120.936 119.070 0.084 0.000 2.947 359 H HA 0.252 4.807 4.556 -0.002 0.000 0.354 359 H C -1.685 173.701 175.328 0.096 0.000 1.085 359 H CA -0.632 55.464 56.048 0.081 0.000 1.253 359 H CB 1.076 30.875 29.762 0.062 0.000 1.757 359 H HN 0.423 nan 8.280 nan 0.000 0.523 360 H N 6.098 124.803 119.070 -0.607 0.000 2.759 360 H HA 0.214 4.769 4.556 -0.002 0.000 0.354 360 H C -2.317 172.628 175.328 -0.639 0.000 1.074 360 H CA -2.342 53.448 56.048 -0.430 0.000 1.226 360 H CB 2.837 32.504 29.762 -0.159 0.000 1.648 360 H HN 0.544 nan 8.280 nan 0.000 0.529 361 P HA -0.101 nan 4.420 nan 0.000 0.225 361 P C 1.055 178.221 177.300 -0.223 0.000 1.148 361 P CA 0.556 63.473 63.100 -0.305 0.000 0.779 361 P CB 0.889 32.452 31.700 -0.228 0.000 0.780 362 L N -1.538 119.633 121.223 -0.086 0.000 2.547 362 L HA 0.198 4.537 4.340 -0.002 0.000 0.218 362 L C 2.071 178.784 176.870 -0.261 0.000 1.048 362 L CA 1.062 55.779 54.840 -0.205 0.000 0.859 362 L CB -0.466 41.396 42.059 -0.328 0.000 1.128 362 L HN -0.096 nan 8.230 nan 0.000 0.483 363 H N -0.788 118.281 119.070 -0.001 0.000 2.551 363 H HA 0.459 5.014 4.556 -0.002 0.000 0.271 363 H C 1.447 176.672 175.328 -0.171 0.000 0.984 363 H CA 0.434 56.383 56.048 -0.165 0.000 1.164 363 H CB 0.220 29.781 29.762 -0.335 0.000 1.437 363 H HN 0.366 nan 8.280 nan 0.000 0.550 364 G N 1.643 110.361 108.800 -0.138 0.000 2.889 364 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.308 364 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.308 364 G C 0.806 175.618 174.900 -0.147 0.000 1.248 364 G CA 0.540 45.506 45.100 -0.224 0.000 0.982 364 G HN 0.456 nan 8.290 nan 0.000 0.571 365 Q N -0.171 119.573 119.800 -0.094 0.000 2.171 365 Q HA 0.483 4.821 4.340 -0.002 0.000 0.218 365 Q C 0.124 176.205 176.000 0.134 0.000 0.822 365 Q CA -0.133 55.658 55.803 -0.021 0.000 0.987 365 Q CB 1.822 30.449 28.738 -0.186 0.000 1.144 365 Q HN 0.385 nan 8.270 nan 0.000 0.494 366 V N 2.359 122.329 119.914 0.094 0.000 2.470 366 V HA 0.130 4.249 4.120 -0.002 0.000 0.276 366 V C 0.173 176.287 176.094 0.033 0.000 1.040 366 V CA 0.316 62.669 62.300 0.089 0.000 1.008 366 V CB 0.663 32.480 31.823 -0.010 0.000 0.990 366 V HN 0.325 nan 8.190 nan 0.000 0.477 367 M N 5.067 124.686 119.600 0.031 0.000 2.300 367 M HA 0.441 4.919 4.480 -0.002 0.000 0.348 367 M C -0.382 175.810 176.300 -0.181 0.000 1.151 367 M CA -0.653 54.611 55.300 -0.060 0.000 1.046 367 M CB 1.411 33.962 32.600 -0.082 0.000 1.647 367 M HN 0.905 nan 8.290 nan 0.000 0.451 368 D N -0.580 119.741 120.400 -0.131 0.000 2.419 368 D HA 0.277 4.915 4.640 -0.002 0.000 0.234 368 D C 0.486 176.744 176.300 -0.069 0.000 1.014 368 D CA -0.712 53.214 54.000 -0.123 0.000 0.919 368 D CB 1.428 42.175 40.800 -0.089 0.000 1.366 368 D HN 0.663 nan 8.370 nan 0.000 0.490 369 E N -0.064 120.113 120.200 -0.039 0.000 2.085 369 E HA -0.336 4.012 4.350 -0.002 0.000 0.194 369 E C 1.705 178.342 176.600 0.063 0.000 0.994 369 E CA 1.281 57.697 56.400 0.027 0.000 0.801 369 E CB 0.110 29.841 29.700 0.053 0.000 0.743 369 E HN 0.641 nan 8.360 nan 0.000 0.453 370 Q N -0.358 119.478 119.800 0.061 0.000 2.061 370 Q HA -0.171 4.168 4.340 -0.002 0.000 0.204 370 Q C 1.960 178.022 176.000 0.103 0.000 0.984 370 Q CA 2.401 58.253 55.803 0.082 0.000 0.846 370 Q CB -0.041 28.746 28.738 0.082 0.000 0.902 370 Q HN 0.281 nan 8.270 nan 0.000 0.421 371 T N 0.706 115.331 114.554 0.119 0.000 2.777 371 T HA -0.110 4.239 4.350 -0.002 0.000 0.266 371 T C 1.817 176.604 174.700 0.144 0.000 1.040 371 T CA 1.424 63.616 62.100 0.153 0.000 1.141 371 T CB -0.150 68.846 68.868 0.213 0.000 0.868 371 T HN 0.296 nan 8.240 nan 0.000 0.444 372 M N 0.630 120.314 119.600 0.139 0.000 2.117 372 M HA -0.100 4.379 4.480 -0.002 0.000 0.262 372 M C 2.463 178.874 176.300 0.184 0.000 1.065 372 M CA 1.344 56.792 55.300 0.246 0.000 1.114 372 M CB -0.573 32.198 32.600 0.285 0.000 1.361 372 M HN 0.102 nan 8.290 nan 0.000 0.408 373 V N 0.120 120.084 119.914 0.083 0.000 2.358 373 V HA -0.296 3.823 4.120 -0.002 0.000 0.246 373 V C 2.301 178.373 176.094 -0.037 0.000 1.047 373 V CA 2.023 64.303 62.300 -0.033 0.000 1.035 373 V CB -0.844 31.000 31.823 0.034 0.000 0.658 373 V HN 0.558 nan 8.190 nan 0.000 0.452 374 Q N -0.254 119.580 119.800 0.056 0.000 2.061 374 Q HA -0.284 4.054 4.340 -0.002 0.000 0.204 374 Q C 1.987 178.061 176.000 0.124 0.000 0.984 374 Q CA 2.276 58.135 55.803 0.092 0.000 0.846 374 Q CB -0.150 28.662 28.738 0.124 0.000 0.902 374 Q HN 0.620 nan 8.270 nan 0.000 0.421 375 D N 0.313 120.801 120.400 0.147 0.000 2.084 375 D HA -0.153 4.485 4.640 -0.002 0.000 0.194 375 D C 1.939 178.182 176.300 -0.096 0.000 0.990 375 D CA 1.252 55.333 54.000 0.134 0.000 0.826 375 D CB -0.269 40.597 40.800 0.109 0.000 0.971 375 D HN 0.350 nan 8.370 nan 0.000 0.453 376 I N 0.650 121.154 120.570 -0.109 0.000 2.208 376 I HA -0.252 3.917 4.170 -0.002 0.000 0.245 376 I C 2.422 178.406 176.117 -0.222 0.000 1.097 376 I CA 0.692 61.831 61.300 -0.268 0.000 1.363 376 I CB -0.158 37.559 38.000 -0.471 0.000 1.051 376 I HN 0.017 nan 8.210 nan 0.000 0.413 377 L N 0.011 121.145 121.223 -0.148 0.000 2.017 377 L HA -0.221 4.118 4.340 -0.002 0.000 0.208 377 L C 2.566 179.510 176.870 0.123 0.000 1.073 377 L CA 1.427 56.269 54.840 0.003 0.000 0.745 377 L CB -0.600 41.479 42.059 0.033 0.000 0.894 377 L HN 0.270 nan 8.230 nan 0.000 0.432 378 L N -0.986 120.332 121.223 0.159 0.000 2.046 378 L HA -0.239 4.100 4.340 -0.002 0.000 0.208 378 L C 2.690 179.741 176.870 0.302 0.000 1.077 378 L CA 1.307 56.328 54.840 0.302 0.000 0.747 378 L CB -0.332 42.013 42.059 0.478 0.000 0.896 378 L HN 0.273 nan 8.230 nan 0.000 0.432 379 M N -0.568 119.028 119.600 -0.007 0.000 2.065 379 M HA -0.250 4.229 4.480 -0.002 0.000 0.259 379 M C 2.337 178.744 176.300 0.177 0.000 1.069 379 M CA 1.920 57.143 55.300 -0.128 0.000 1.110 379 M CB -0.332 31.948 32.600 -0.533 0.000 1.328 379 M HN 0.069 nan 8.290 nan 0.000 0.405 380 K N -0.105 120.306 120.400 0.017 0.000 2.057 380 K HA -0.187 4.132 4.320 -0.002 0.000 0.207 380 K C 1.976 178.608 176.600 0.054 0.000 1.049 380 K CA 1.385 57.603 56.287 -0.115 0.000 0.931 380 K CB -0.244 32.019 32.500 -0.394 0.000 0.714 380 K HN 0.435 nan 8.250 nan 0.000 0.440 381 Q N 0.416 120.400 119.800 0.306 0.000 2.226 381 Q HA -0.071 4.268 4.340 -0.002 0.000 0.204 381 Q C 0.833 177.152 176.000 0.531 0.000 0.975 381 Q CA 0.882 56.980 55.803 0.492 0.000 0.866 381 Q CB 0.086 29.081 28.738 0.429 0.000 0.915 381 Q HN 0.280 nan 8.270 nan 0.000 0.440 382 N N 0.520 119.479 118.700 0.433 0.000 2.273 382 N HA 0.054 4.793 4.740 -0.002 0.000 0.231 382 N C -0.658 174.953 175.510 0.168 0.000 1.134 382 N CA 0.020 53.301 53.050 0.385 0.000 0.856 382 N CB 0.693 39.487 38.487 0.511 0.000 1.068 382 N HN 0.163 nan 8.380 nan 0.000 0.510 383 N N 0.229 119.041 118.700 0.187 0.000 2.776 383 N HA -0.180 4.559 4.740 -0.002 0.000 0.250 383 N C -0.937 174.484 175.510 -0.149 0.000 1.112 383 N CA 0.770 53.868 53.050 0.080 0.000 0.733 383 N CB -1.781 36.642 38.487 -0.105 0.000 1.097 383 N HN 0.255 nan 8.380 nan 0.000 0.558 384 F N 1.097 121.074 119.950 0.046 0.000 2.384 384 F HA 0.286 4.812 4.527 -0.002 0.000 0.338 384 F C 1.814 177.615 175.800 0.002 0.000 1.103 384 F CA -0.588 57.422 58.000 0.018 0.000 1.157 384 F CB 0.785 39.773 39.000 -0.020 0.000 1.167 384 F HN 0.049 nan 8.300 nan 0.000 0.529 385 N N 0.852 119.673 118.700 0.203 0.000 2.159 385 N HA 0.397 5.136 4.740 -0.002 0.000 0.217 385 N C -0.764 174.787 175.510 0.069 0.000 1.223 385 N CA 0.025 53.118 53.050 0.072 0.000 0.896 385 N CB 0.711 39.289 38.487 0.151 0.000 1.064 385 N HN 0.463 nan 8.380 nan 0.000 0.518 386 A N -0.387 122.553 122.820 0.199 0.000 2.572 386 A HA 0.750 5.069 4.320 -0.002 0.000 0.295 386 A C -1.722 176.085 177.584 0.372 0.000 1.072 386 A CA -0.722 51.499 52.037 0.306 0.000 0.691 386 A CB 1.975 21.173 19.000 0.330 0.000 1.291 386 A HN 0.189 nan 8.150 nan 0.000 0.404 387 V N 1.465 121.651 119.914 0.455 0.000 2.808 387 V HA 0.752 4.871 4.120 -0.002 0.000 0.308 387 V C -0.574 175.658 176.094 0.229 0.000 1.099 387 V CA -0.703 61.815 62.300 0.363 0.000 0.920 387 V CB 1.825 33.797 31.823 0.248 0.000 1.014 387 V HN 1.080 nan 8.190 nan 0.000 0.425 388 R N 5.103 125.572 120.500 -0.052 0.000 2.294 388 R HA 0.464 4.803 4.340 -0.002 0.000 0.319 388 R C -0.664 175.493 176.300 -0.238 0.000 0.984 388 R CA -0.471 55.415 56.100 -0.357 0.000 0.861 388 R CB 0.985 30.838 30.300 -0.745 0.000 1.104 388 R HN 0.814 nan 8.270 nan 0.000 0.451 389 C N 4.500 123.690 119.300 -0.184 0.000 2.896 389 C HA 0.109 4.568 4.460 -0.002 0.000 0.499 389 C C 0.563 175.285 174.990 -0.447 0.000 1.022 389 C CA -0.455 58.406 59.018 -0.262 0.000 1.127 389 C CB -2.068 25.630 27.740 -0.069 0.000 1.452 389 C HN 0.720 nan 8.230 nan 0.000 0.580 390 S N 1.459 116.766 115.700 -0.655 0.000 2.465 390 S HA 0.189 4.657 4.470 -0.002 0.000 0.280 390 S C -0.071 173.606 174.600 -1.539 0.000 1.232 390 S CA 0.062 57.621 58.200 -1.068 0.000 1.066 390 S CB 0.136 62.635 63.200 -1.167 0.000 0.929 390 S HN 0.728 nan 8.310 nan 0.000 0.494 391 H N 3.732 122.196 119.070 -1.010 0.000 2.535 391 H HA 0.313 4.868 4.556 -0.002 0.000 0.232 391 H C -1.175 174.069 175.328 -0.140 0.000 1.405 391 H CA -0.345 55.496 56.048 -0.344 0.000 1.224 391 H CB -0.200 29.551 29.762 -0.019 0.000 1.763 391 H HN 0.884 nan 8.280 nan 0.000 0.529 392 Y N -2.908 117.487 120.300 0.158 0.000 2.662 392 Y HA 0.425 4.974 4.550 -0.002 0.000 0.334 392 Y C -3.321 172.681 175.900 0.170 0.000 1.185 392 Y CA -3.276 54.926 58.100 0.170 0.000 1.074 392 Y CB 0.105 38.671 38.460 0.176 0.000 1.330 392 Y HN -0.107 nan 8.280 nan 0.000 0.458 393 P HA 0.152 nan 4.420 nan 0.000 0.268 393 P C -0.706 176.867 177.300 0.454 0.000 1.205 393 P CA 0.284 63.627 63.100 0.405 0.000 0.771 393 P CB 0.612 32.485 31.700 0.289 0.000 0.858 394 N N 0.624 119.609 118.700 0.474 0.000 2.447 394 N HA 0.103 4.842 4.740 -0.002 0.000 0.271 394 N C -0.045 175.681 175.510 0.360 0.000 1.226 394 N CA -0.400 52.835 53.050 0.309 0.000 0.980 394 N CB 0.015 38.471 38.487 -0.051 0.000 1.206 394 N HN 0.473 nan 8.380 nan 0.000 0.558 395 H N 2.098 121.263 119.070 0.160 0.000 3.140 395 H HA -0.037 4.518 4.556 -0.002 0.000 0.316 395 H C -1.483 174.003 175.328 0.262 0.000 0.986 395 H CA -0.551 55.582 56.048 0.142 0.000 1.397 395 H CB 0.799 30.613 29.762 0.086 0.000 1.377 395 H HN 0.413 nan 8.280 nan 0.000 0.585 396 P HA -0.199 nan 4.420 nan 0.000 0.218 396 P C 1.792 179.355 177.300 0.438 0.000 1.148 396 P CA 0.665 63.953 63.100 0.313 0.000 0.822 396 P CB 0.235 31.985 31.700 0.084 0.000 0.784 397 L N -1.024 120.527 121.223 0.546 0.000 2.201 397 L HA -0.035 4.303 4.340 -0.002 0.000 0.212 397 L C 2.407 179.455 176.870 0.296 0.000 1.105 397 L CA 1.337 56.418 54.840 0.402 0.000 0.775 397 L CB -1.353 40.923 42.059 0.361 0.000 0.913 397 L HN 0.008 nan 8.230 nan 0.000 0.440 398 W N -0.424 120.919 121.300 0.071 0.000 2.318 398 W HA -0.341 4.318 4.660 -0.002 0.000 0.313 398 W C 2.029 178.410 176.519 -0.230 0.000 1.221 398 W CA 2.039 59.287 57.345 -0.161 0.000 1.266 398 W CB -0.377 28.874 29.460 -0.348 0.000 1.150 398 W HN 0.272 nan 8.180 nan 0.000 0.496 399 Y N 0.695 120.917 120.300 -0.129 0.000 2.242 399 Y HA -0.188 4.361 4.550 -0.002 0.000 0.291 399 Y C 2.857 178.560 175.900 -0.329 0.000 1.137 399 Y CA 2.073 59.907 58.100 -0.442 0.000 1.181 399 Y CB -1.231 36.671 38.460 -0.930 0.000 0.989 399 Y HN -0.224 nan 8.280 nan 0.000 0.527 400 T N 0.783 115.361 114.554 0.040 0.000 2.684 400 T HA -0.179 4.170 4.350 -0.002 0.000 0.267 400 T C 1.978 176.736 174.700 0.096 0.000 1.036 400 T CA 1.526 63.732 62.100 0.177 0.000 1.148 400 T CB -0.566 68.445 68.868 0.240 0.000 0.863 400 T HN 0.239 nan 8.240 nan 0.000 0.436 401 L N 0.215 121.454 121.223 0.026 0.000 2.093 401 L HA -0.071 4.268 4.340 -0.002 0.000 0.208 401 L C 2.864 179.731 176.870 -0.005 0.000 1.085 401 L CA 0.802 55.678 54.840 0.060 0.000 0.755 401 L CB -0.649 41.413 42.059 0.005 0.000 0.904 401 L HN 0.373 nan 8.230 nan 0.000 0.435 402 C N -0.219 118.911 119.300 -0.283 0.000 2.440 402 C HA -0.130 4.328 4.460 -0.002 0.000 0.278 402 C C 2.414 177.455 174.990 0.085 0.000 1.295 402 C CA 0.347 59.221 59.018 -0.240 0.000 1.738 402 C CB -0.740 26.719 27.740 -0.467 0.000 1.987 402 C HN 0.537 nan 8.230 nan 0.000 0.492 403 D N 0.590 121.054 120.400 0.106 0.000 2.104 403 D HA -0.124 4.515 4.640 -0.002 0.000 0.194 403 D C 2.375 178.894 176.300 0.365 0.000 0.994 403 D CA 1.349 55.485 54.000 0.226 0.000 0.830 403 D CB -0.338 40.554 40.800 0.154 0.000 0.959 403 D HN 0.524 nan 8.370 nan 0.000 0.452 404 R N -1.161 119.448 120.500 0.181 0.000 2.100 404 R HA 0.022 4.361 4.340 -0.002 0.000 0.220 404 R C 2.205 178.472 176.300 -0.055 0.000 1.091 404 R CA 0.500 56.634 56.100 0.057 0.000 0.986 404 R CB -0.136 30.129 30.300 -0.059 0.000 0.888 404 R HN 0.286 nan 8.270 nan 0.000 0.444 405 Y N -0.096 120.217 120.300 0.023 0.000 2.365 405 Y HA 0.164 4.713 4.550 -0.002 0.000 0.293 405 Y C 1.055 176.880 175.900 -0.126 0.000 1.119 405 Y CA 0.828 58.907 58.100 -0.035 0.000 1.203 405 Y CB 0.601 39.017 38.460 -0.074 0.000 1.026 405 Y HN 0.223 nan 8.280 nan 0.000 0.549 406 G N 1.151 109.973 108.800 0.037 0.000 2.894 406 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.263 406 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.263 406 G C -1.163 173.572 174.900 -0.274 0.000 1.013 406 G CA -0.555 44.421 45.100 -0.206 0.000 1.226 406 G HN 0.165 nan 8.290 nan 0.000 0.563 407 L N 1.017 122.159 121.223 -0.135 0.000 2.431 407 L HA 0.520 4.858 4.340 -0.002 0.000 0.266 407 L C 0.095 176.969 176.870 0.007 0.000 0.978 407 L CA -1.373 53.351 54.840 -0.193 0.000 0.822 407 L CB 1.939 43.906 42.059 -0.153 0.000 1.310 407 L HN 0.443 nan 8.230 nan 0.000 0.409 408 Y N 1.765 122.196 120.300 0.217 0.000 2.359 408 Y HA 0.347 4.895 4.550 -0.002 0.000 0.330 408 Y C 0.197 176.226 175.900 0.214 0.000 1.143 408 Y CA -0.705 57.552 58.100 0.262 0.000 1.318 408 Y CB 1.047 39.644 38.460 0.227 0.000 1.234 408 Y HN 0.149 nan 8.280 nan 0.000 0.522 409 V N 4.441 124.545 119.914 0.316 0.000 2.540 409 V HA 0.278 4.396 4.120 -0.002 0.000 0.302 409 V C -0.491 175.685 176.094 0.136 0.000 1.035 409 V CA -1.032 61.394 62.300 0.210 0.000 0.873 409 V CB 1.819 33.736 31.823 0.158 0.000 0.992 409 V HN 0.479 nan 8.190 nan 0.000 0.428 410 V N 3.493 123.456 119.914 0.082 0.000 2.348 410 V HA 0.295 4.413 4.120 -0.002 0.000 0.270 410 V C -0.159 175.966 176.094 0.052 0.000 1.037 410 V CA -0.284 62.013 62.300 -0.006 0.000 0.872 410 V CB 1.349 33.066 31.823 -0.176 0.000 1.002 410 V HN 0.867 nan 8.190 nan 0.000 0.464 411 D N 4.331 124.792 120.400 0.100 0.000 2.249 411 D HA 0.311 4.950 4.640 -0.002 0.000 0.246 411 D C -0.236 176.247 176.300 0.305 0.000 1.114 411 D CA -0.113 54.042 54.000 0.258 0.000 0.854 411 D CB 1.277 42.253 40.800 0.292 0.000 1.132 411 D HN 0.704 nan 8.370 nan 0.000 0.461 412 E N 2.079 122.430 120.200 0.252 0.000 2.224 412 E HA 0.602 4.951 4.350 -0.002 0.000 0.265 412 E C -1.074 175.665 176.600 0.232 0.000 0.878 412 E CA -1.048 55.484 56.400 0.220 0.000 0.759 412 E CB 1.314 31.094 29.700 0.133 0.000 1.164 412 E HN 0.452 nan 8.360 nan 0.000 0.414 413 A N 4.001 126.953 122.820 0.219 0.000 2.498 413 A HA 0.036 4.355 4.320 -0.002 0.000 0.239 413 A C 0.411 178.118 177.584 0.205 0.000 1.068 413 A CA -0.196 51.949 52.037 0.181 0.000 0.766 413 A CB 0.113 19.185 19.000 0.121 0.000 1.003 413 A HN 0.719 nan 8.150 nan 0.000 0.497 414 N N 1.334 120.161 118.700 0.212 0.000 3.027 414 N HA 0.191 4.930 4.740 -0.002 0.000 0.309 414 N C -0.947 174.685 175.510 0.203 0.000 1.222 414 N CA 0.289 53.491 53.050 0.253 0.000 1.187 414 N CB -0.892 37.741 38.487 0.244 0.000 1.458 414 N HN 0.487 nan 8.380 nan 0.000 0.535 415 I N 1.076 121.762 120.570 0.194 0.000 2.468 415 I HA 0.240 4.409 4.170 -0.002 0.000 0.284 415 I C -0.564 175.651 176.117 0.162 0.000 1.038 415 I CA -0.644 60.754 61.300 0.163 0.000 1.083 415 I CB 1.726 39.803 38.000 0.128 0.000 1.223 415 I HN 0.158 nan 8.210 nan 0.000 0.443 416 Q N 4.490 124.375 119.800 0.142 0.000 2.271 416 Q HA 0.465 4.804 4.340 -0.002 0.000 0.268 416 Q C -0.649 175.396 176.000 0.074 0.000 1.021 416 Q CA -0.527 55.328 55.803 0.088 0.000 0.802 416 Q CB 2.153 30.917 28.738 0.043 0.000 1.282 416 Q HN 0.709 nan 8.270 nan 0.000 0.431 417 T N -0.132 114.463 114.554 0.067 0.000 3.533 417 T HA 0.155 4.504 4.350 -0.002 0.000 0.275 417 T C 0.597 175.311 174.700 0.024 0.000 1.000 417 T CA -0.380 61.764 62.100 0.072 0.000 1.015 417 T CB -0.049 68.861 68.868 0.070 0.000 1.153 417 T HN 0.800 nan 8.240 nan 0.000 0.504 418 H N 1.053 120.010 119.070 -0.188 0.000 2.421 418 H HA -0.015 4.540 4.556 -0.002 0.000 0.298 418 H C 2.162 177.345 175.328 -0.242 0.000 1.087 418 H CA 1.391 57.307 56.048 -0.220 0.000 1.330 418 H CB -0.120 29.480 29.762 -0.270 0.000 1.388 418 H HN 0.622 nan 8.280 nan 0.000 0.526 419 G N 0.553 109.107 108.800 -0.410 0.000 2.598 419 G HA2 -0.056 3.902 3.960 -0.002 0.000 0.215 419 G HA3 -0.056 3.902 3.960 -0.002 0.000 0.215 419 G C 0.690 175.613 174.900 0.038 0.000 1.131 419 G CA -0.216 44.684 45.100 -0.333 0.000 0.785 419 G HN 0.133 nan 8.290 nan 0.000 0.539 420 M N 0.801 120.468 119.600 0.111 0.000 2.248 420 M HA 0.268 4.747 4.480 -0.002 0.000 0.337 420 M C -0.488 175.799 176.300 -0.023 0.000 1.121 420 M CA -0.179 55.172 55.300 0.086 0.000 1.155 420 M CB 1.353 33.985 32.600 0.054 0.000 1.514 420 M HN -0.214 nan 8.290 nan 0.000 0.452 421 V N 5.491 125.391 119.914 -0.025 0.000 2.409 421 V HA 0.370 4.488 4.120 -0.002 0.000 0.290 421 V C -1.852 174.221 176.094 -0.036 0.000 1.017 421 V CA -1.308 60.964 62.300 -0.047 0.000 0.841 421 V CB 1.562 33.352 31.823 -0.054 0.000 1.003 421 V HN 0.731 nan 8.190 nan 0.000 0.426 422 P HA 0.259 nan 4.420 nan 0.000 0.275 422 P C 0.982 178.265 177.300 -0.028 0.000 1.266 422 P CA -0.567 62.512 63.100 -0.035 0.000 0.793 422 P CB 1.100 32.788 31.700 -0.020 0.000 1.074 423 M N 0.639 120.225 119.600 -0.023 0.000 2.267 423 M HA -0.170 4.309 4.480 -0.002 0.000 0.263 423 M C 1.245 177.566 176.300 0.035 0.000 1.063 423 M CA 1.756 57.056 55.300 0.001 0.000 1.090 423 M CB -0.452 32.160 32.600 0.021 0.000 1.392 423 M HN 0.374 nan 8.290 nan 0.000 0.422 424 N N -0.102 118.620 118.700 0.037 0.000 2.314 424 N HA -0.079 4.660 4.740 -0.002 0.000 0.200 424 N C 1.173 176.668 175.510 -0.026 0.000 1.135 424 N CA 0.198 53.271 53.050 0.038 0.000 0.835 424 N CB -0.677 37.852 38.487 0.070 0.000 0.989 424 N HN 0.364 nan 8.380 nan 0.000 0.478 425 R N 0.430 120.902 120.500 -0.047 0.000 2.091 425 R HA -0.003 4.336 4.340 -0.002 0.000 0.238 425 R C 1.547 177.763 176.300 -0.140 0.000 1.136 425 R CA 1.344 57.399 56.100 -0.076 0.000 0.959 425 R CB -0.063 30.193 30.300 -0.074 0.000 0.856 425 R HN 0.276 nan 8.270 nan 0.000 0.437 426 L N -0.549 120.527 121.223 -0.244 0.000 2.127 426 L HA -0.034 4.305 4.340 -0.002 0.000 0.203 426 L C 2.492 179.222 176.870 -0.234 0.000 1.080 426 L CA 1.451 56.017 54.840 -0.457 0.000 0.768 426 L CB -0.542 41.015 42.059 -0.837 0.000 0.924 426 L HN 0.374 nan 8.230 nan 0.000 0.444 427 T N -4.632 109.815 114.554 -0.178 0.000 3.085 427 T HA -0.131 4.218 4.350 -0.002 0.000 0.263 427 T C 1.226 175.818 174.700 -0.180 0.000 1.127 427 T CA 0.991 62.960 62.100 -0.219 0.000 1.103 427 T CB -0.156 68.520 68.868 -0.320 0.000 0.921 427 T HN 0.105 nan 8.240 nan 0.000 0.510 428 D N 0.997 121.338 120.400 -0.099 0.000 2.349 428 D HA 0.106 4.745 4.640 -0.002 0.000 0.214 428 D C -0.224 176.058 176.300 -0.029 0.000 1.063 428 D CA -0.197 53.760 54.000 -0.072 0.000 0.847 428 D CB -0.041 40.729 40.800 -0.049 0.000 0.933 428 D HN 0.297 nan 8.370 nan 0.000 0.513 429 D N -0.013 120.389 120.400 0.004 0.000 2.317 429 D HA 0.108 4.747 4.640 -0.002 0.000 0.234 429 D C -1.622 174.729 176.300 0.085 0.000 1.112 429 D CA -2.174 51.869 54.000 0.073 0.000 0.840 429 D CB 1.953 42.858 40.800 0.174 0.000 1.078 429 D HN 0.001 nan 8.370 nan 0.000 0.486 430 P HA -0.100 nan 4.420 nan 0.000 0.225 430 P C 0.975 178.270 177.300 -0.009 0.000 1.148 430 P CA 0.527 63.632 63.100 0.007 0.000 0.779 430 P CB 0.419 32.114 31.700 -0.009 0.000 0.780 431 R N -1.643 118.854 120.500 -0.005 0.000 2.235 431 R HA -0.044 4.295 4.340 -0.002 0.000 0.213 431 R C 1.448 177.592 176.300 -0.260 0.000 1.059 431 R CA 0.920 56.941 56.100 -0.131 0.000 0.997 431 R CB -0.565 29.641 30.300 -0.155 0.000 0.884 431 R HN 0.370 nan 8.270 nan 0.000 0.462 432 W N -0.114 121.131 121.300 -0.092 0.000 3.220 432 W HA 0.117 4.776 4.660 -0.002 0.000 0.328 432 W C 1.585 178.044 176.519 -0.098 0.000 1.205 432 W CA -0.522 56.767 57.345 -0.092 0.000 1.773 432 W CB 0.016 29.422 29.460 -0.091 0.000 1.086 432 W HN -0.034 nan 8.180 nan 0.000 0.622 433 L N 2.147 123.400 121.223 0.051 0.000 2.017 433 L HA -0.032 4.306 4.340 -0.002 0.000 0.208 433 L C -0.624 176.215 176.870 -0.052 0.000 1.073 433 L CA 2.210 57.040 54.840 -0.016 0.000 0.745 433 L CB -1.738 40.298 42.059 -0.038 0.000 0.894 433 L HN -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.200 nan 4.420 nan 0.000 0.214 434 P C 1.606 178.860 177.300 -0.077 0.000 1.163 434 P CA 2.333 65.376 63.100 -0.096 0.000 0.889 434 P CB -0.237 31.393 31.700 -0.117 0.000 0.790 435 A N -1.308 121.484 122.820 -0.047 0.000 1.902 435 A HA -0.189 4.130 4.320 -0.002 0.000 0.217 435 A C 2.247 179.859 177.584 0.046 0.000 1.181 435 A CA 1.923 53.972 52.037 0.019 0.000 0.623 435 A CB -1.443 17.609 19.000 0.088 0.000 0.818 435 A HN 0.111 nan 8.150 nan 0.000 0.443 436 M N 0.243 119.875 119.600 0.054 0.000 2.132 436 M HA -0.149 4.330 4.480 -0.002 0.000 0.263 436 M C 2.561 178.814 176.300 -0.078 0.000 1.065 436 M CA 1.739 57.043 55.300 0.007 0.000 1.122 436 M CB -0.363 32.224 32.600 -0.022 0.000 1.365 436 M HN 0.673 nan 8.290 nan 0.000 0.411 437 S N 0.319 115.942 115.700 -0.127 0.000 2.370 437 S HA -0.187 4.282 4.470 -0.002 0.000 0.226 437 S C 1.609 176.043 174.600 -0.277 0.000 1.033 437 S CA 1.479 59.533 58.200 -0.244 0.000 1.011 437 S CB -0.628 62.410 63.200 -0.268 0.000 0.852 437 S HN 0.522 nan 8.310 nan 0.000 0.457 438 E N 1.016 121.107 120.200 -0.180 0.000 2.153 438 E HA -0.085 4.264 4.350 -0.002 0.000 0.194 438 E C 2.413 178.935 176.600 -0.129 0.000 0.988 438 E CA 0.937 57.241 56.400 -0.159 0.000 0.811 438 E CB -0.129 29.514 29.700 -0.095 0.000 0.746 438 E HN 0.567 nan 8.360 nan 0.000 0.466 439 R N 0.023 120.476 120.500 -0.079 0.000 2.148 439 R HA -0.050 4.289 4.340 -0.002 0.000 0.223 439 R C 2.229 178.494 176.300 -0.059 0.000 1.088 439 R CA 0.540 56.623 56.100 -0.029 0.000 0.985 439 R CB 0.113 30.435 30.300 0.036 0.000 0.880 439 R HN 0.013 nan 8.270 nan 0.000 0.451 440 V N 0.113 119.946 119.914 -0.136 0.000 2.331 440 V HA -0.179 3.939 4.120 -0.002 0.000 0.242 440 V C 2.467 178.388 176.094 -0.289 0.000 1.034 440 V CA 2.141 64.337 62.300 -0.172 0.000 1.027 440 V CB -0.380 31.337 31.823 -0.178 0.000 0.667 440 V HN 0.502 nan 8.190 nan 0.000 0.457 441 T N -0.698 113.555 114.554 -0.501 0.000 2.746 441 T HA -0.235 4.114 4.350 -0.002 0.000 0.267 441 T C 1.949 176.500 174.700 -0.247 0.000 1.039 441 T CA 1.415 63.122 62.100 -0.656 0.000 1.142 441 T CB -0.397 67.906 68.868 -0.942 0.000 0.866 441 T HN 0.378 nan 8.240 nan 0.000 0.444 442 R N 0.145 120.523 120.500 -0.203 0.000 2.148 442 R HA 0.241 4.579 4.340 -0.002 0.000 0.223 442 R C 2.619 178.852 176.300 -0.112 0.000 1.088 442 R CA 1.179 57.198 56.100 -0.135 0.000 0.985 442 R CB -0.407 29.820 30.300 -0.121 0.000 0.880 442 R HN 0.487 nan 8.270 nan 0.000 0.451 443 M N 0.484 120.024 119.600 -0.100 0.000 2.099 443 M HA -0.130 4.349 4.480 -0.002 0.000 0.262 443 M C 1.788 178.026 176.300 -0.104 0.000 1.067 443 M CA 1.634 56.904 55.300 -0.049 0.000 1.124 443 M CB 0.147 32.760 32.600 0.021 0.000 1.353 443 M HN -0.025 nan 8.290 nan 0.000 0.410 444 V N 0.916 120.661 119.914 -0.282 0.000 2.358 444 V HA -0.268 3.851 4.120 -0.002 0.000 0.246 444 V C 2.238 178.230 176.094 -0.169 0.000 1.047 444 V CA 1.880 63.880 62.300 -0.499 0.000 1.035 444 V CB -0.913 30.561 31.823 -0.582 0.000 0.658 444 V HN 0.580 nan 8.190 nan 0.000 0.452 445 Q N -0.561 119.184 119.800 -0.091 0.000 2.170 445 Q HA -0.228 4.111 4.340 -0.002 0.000 0.203 445 Q C 2.485 178.423 176.000 -0.104 0.000 0.976 445 Q CA 1.661 57.424 55.803 -0.066 0.000 0.858 445 Q CB -0.177 28.539 28.738 -0.037 0.000 0.907 445 Q HN 0.525 nan 8.270 nan 0.000 0.433 446 R N 0.213 120.643 120.500 -0.117 0.000 2.080 446 R HA -0.088 4.251 4.340 -0.002 0.000 0.222 446 R C 0.476 176.723 176.300 -0.088 0.000 1.107 446 R CA 1.322 57.332 56.100 -0.149 0.000 0.980 446 R CB 0.414 30.621 30.300 -0.154 0.000 0.879 446 R HN 0.154 nan 8.270 nan 0.000 0.439 447 D N -0.349 120.059 120.400 0.013 0.000 2.398 447 D HA 0.004 4.643 4.640 -0.002 0.000 0.210 447 D C 1.231 177.645 176.300 0.189 0.000 1.094 447 D CA 0.100 54.146 54.000 0.077 0.000 0.839 447 D CB 0.332 41.091 40.800 -0.068 0.000 0.963 447 D HN 0.365 nan 8.370 nan 0.000 0.506 448 R N 0.465 121.081 120.500 0.194 0.000 2.285 448 R HA 0.060 4.399 4.340 -0.002 0.000 0.213 448 R C 0.735 177.048 176.300 0.022 0.000 1.068 448 R CA 0.787 57.022 56.100 0.225 0.000 1.004 448 R CB -0.184 30.184 30.300 0.113 0.000 0.873 448 R HN -0.097 nan 8.270 nan 0.000 0.467 449 N N 0.291 118.936 118.700 -0.091 0.000 2.280 449 N HA -0.000 4.739 4.740 -0.002 0.000 0.192 449 N C -0.495 174.889 175.510 -0.209 0.000 1.109 449 N CA 0.206 53.164 53.050 -0.153 0.000 0.855 449 N CB 0.142 38.514 38.487 -0.192 0.000 0.974 449 N HN 0.286 nan 8.380 nan 0.000 0.482 450 H N 1.704 120.713 119.070 -0.102 0.000 2.800 450 H HA 0.096 4.651 4.556 -0.002 0.000 0.291 450 H C -1.182 173.999 175.328 -0.245 0.000 1.076 450 H CA -1.147 54.822 56.048 -0.132 0.000 1.452 450 H CB 1.456 31.169 29.762 -0.081 0.000 1.461 450 H HN 0.079 nan 8.280 nan 0.000 0.488 451 P HA -0.155 nan 4.420 nan 0.000 0.220 451 P C 1.475 178.295 177.300 -0.801 0.000 1.148 451 P CA 1.051 63.797 63.100 -0.591 0.000 0.803 451 P CB 0.304 31.453 31.700 -0.919 0.000 0.782 452 S N -0.532 114.801 115.700 -0.612 0.000 2.399 452 S HA -0.058 4.411 4.470 -0.002 0.000 0.231 452 S C 1.140 175.723 174.600 -0.028 0.000 1.022 452 S CA 0.474 58.517 58.200 -0.261 0.000 0.983 452 S CB -1.608 61.592 63.200 -0.001 0.000 0.803 452 S HN -0.048 nan 8.310 nan 0.000 0.480 453 V N 3.878 123.744 119.914 -0.081 0.000 2.421 453 V HA 0.191 4.310 4.120 -0.002 0.000 0.271 453 V C 1.164 177.122 176.094 -0.225 0.000 1.031 453 V CA 0.154 62.366 62.300 -0.147 0.000 1.032 453 V CB 0.081 31.721 31.823 -0.305 0.000 1.009 453 V HN 0.643 nan 8.190 nan 0.000 0.477 454 I N 2.510 123.003 120.570 -0.128 0.000 4.187 454 I HA 0.496 4.664 4.170 -0.002 0.000 0.326 454 I C 0.425 176.435 176.117 -0.179 0.000 1.302 454 I CA 0.562 61.796 61.300 -0.110 0.000 1.196 454 I CB 0.491 38.501 38.000 0.017 0.000 1.095 454 I HN 0.321 nan 8.210 nan 0.000 0.411 455 I N 0.391 120.829 120.570 -0.220 0.000 2.607 455 I HA 0.342 4.511 4.170 -0.002 0.000 0.290 455 I C -1.514 174.481 176.117 -0.203 0.000 1.129 455 I CA -0.395 60.813 61.300 -0.153 0.000 1.042 455 I CB 1.943 39.946 38.000 0.005 0.000 1.242 455 I HN 0.029 nan 8.210 nan 0.000 0.421 456 W N 4.521 125.868 121.300 0.078 0.000 2.365 456 W HA 0.574 5.233 4.660 -0.002 0.000 0.316 456 W C 0.527 177.109 176.519 0.105 0.000 1.164 456 W CA -0.526 56.871 57.345 0.087 0.000 1.204 456 W CB 1.509 31.016 29.460 0.078 0.000 1.213 456 W HN 0.315 nan 8.180 nan 0.000 0.539 457 S N 3.078 119.001 115.700 0.371 0.000 2.503 457 S HA 0.406 4.875 4.470 -0.002 0.000 0.301 457 S C 0.369 175.135 174.600 0.277 0.000 1.087 457 S CA -0.727 57.644 58.200 0.286 0.000 1.042 457 S CB 0.835 64.155 63.200 0.200 0.000 1.043 457 S HN 0.585 nan 8.310 nan 0.000 0.489 458 L N 4.020 125.398 121.223 0.258 0.000 2.599 458 L HA 0.337 4.676 4.340 -0.002 0.000 0.230 458 L C 1.389 178.329 176.870 0.117 0.000 1.141 458 L CA 0.510 55.422 54.840 0.121 0.000 0.877 458 L CB -1.032 40.984 42.059 -0.072 0.000 1.009 458 L HN 0.994 nan 8.230 nan 0.000 0.447 459 G N 0.059 109.013 108.800 0.256 0.000 2.280 459 G HA2 -0.136 3.822 3.960 -0.002 0.000 0.277 459 G HA3 -0.136 3.822 3.960 -0.002 0.000 0.277 459 G C -1.627 173.466 174.900 0.322 0.000 1.288 459 G CA -0.590 44.668 45.100 0.263 0.000 1.075 459 G HN 0.156 nan 8.290 nan 0.000 0.480 460 N N 0.227 119.050 118.700 0.205 0.000 2.324 460 N HA 0.483 5.222 4.740 -0.002 0.000 0.285 460 N C -0.355 175.116 175.510 -0.064 0.000 1.076 460 N CA 0.059 53.075 53.050 -0.055 0.000 0.864 460 N CB 1.612 39.788 38.487 -0.519 0.000 1.632 460 N HN 0.854 nan 8.380 nan 0.000 0.478 461 E N 0.908 121.017 120.200 -0.152 0.000 2.197 461 E HA -0.180 4.169 4.350 -0.002 0.000 0.184 461 E C -0.809 175.831 176.600 0.066 0.000 1.439 461 E CA 0.715 57.044 56.400 -0.119 0.000 0.688 461 E CB -1.255 28.240 29.700 -0.342 0.000 1.090 461 E HN 0.442 nan 8.360 nan 0.000 0.341 462 S N 0.054 115.885 115.700 0.218 0.000 2.843 462 S HA 0.397 4.866 4.470 -0.002 0.000 0.249 462 S C 0.665 175.463 174.600 0.330 0.000 1.047 462 S CA -0.119 58.243 58.200 0.270 0.000 1.042 462 S CB 1.353 64.757 63.200 0.340 0.000 0.936 462 S HN 0.831 nan 8.310 nan 0.000 0.531 463 G N 1.982 110.924 108.800 0.236 0.000 2.598 463 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.269 463 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.269 463 G C -0.522 174.611 174.900 0.388 0.000 1.289 463 G CA -0.145 45.088 45.100 0.221 0.000 0.926 463 G HN 0.612 nan 8.290 nan 0.000 0.567 464 H N 0.666 119.881 119.070 0.243 0.000 2.727 464 H HA 0.588 5.143 4.556 -0.002 0.000 0.330 464 H C 0.317 175.814 175.328 0.282 0.000 0.986 464 H CA 0.144 56.385 56.048 0.322 0.000 1.251 464 H CB 0.789 30.670 29.762 0.198 0.000 1.493 464 H HN 1.089 nan 8.280 nan 0.000 0.515 465 G N 1.453 110.212 108.800 -0.070 0.000 2.714 465 G HA2 0.458 4.417 3.960 -0.002 0.000 0.292 465 G HA3 0.458 4.417 3.960 -0.002 0.000 0.292 465 G C 0.505 175.204 174.900 -0.334 0.000 1.308 465 G CA -0.146 44.810 45.100 -0.239 0.000 0.964 465 G HN 0.650 nan 8.290 nan 0.000 0.484 466 A N 0.070 122.770 122.820 -0.201 0.000 2.019 466 A HA -0.067 4.252 4.320 -0.002 0.000 0.219 466 A C 2.095 179.628 177.584 -0.085 0.000 1.164 466 A CA 1.794 53.763 52.037 -0.114 0.000 0.644 466 A CB -0.415 18.553 19.000 -0.054 0.000 0.805 466 A HN 0.519 nan 8.150 nan 0.000 0.449 467 N N -0.155 118.458 118.700 -0.145 0.000 2.223 467 N HA -0.140 4.599 4.740 -0.002 0.000 0.185 467 N C 1.378 176.803 175.510 -0.143 0.000 1.016 467 N CA 1.689 54.647 53.050 -0.153 0.000 0.863 467 N CB -0.683 37.679 38.487 -0.208 0.000 0.983 467 N HN 0.785 nan 8.380 nan 0.000 0.429 468 H N 0.353 119.370 119.070 -0.089 0.000 2.353 468 H HA -0.038 4.517 4.556 -0.002 0.000 0.300 468 H C 1.212 176.583 175.328 0.072 0.000 1.090 468 H CA 1.288 57.294 56.048 -0.070 0.000 1.327 468 H CB 0.154 29.854 29.762 -0.103 0.000 1.383 468 H HN 0.181 nan 8.280 nan 0.000 0.508 469 D N 0.367 120.889 120.400 0.204 0.000 2.117 469 D HA -0.119 4.520 4.640 -0.002 0.000 0.197 469 D C 2.307 178.746 176.300 0.231 0.000 0.987 469 D CA 1.140 55.275 54.000 0.225 0.000 0.829 469 D CB -0.445 40.455 40.800 0.167 0.000 0.961 469 D HN 0.423 nan 8.370 nan 0.000 0.460 470 A N 0.742 123.647 122.820 0.141 0.000 1.877 470 A HA -0.125 4.194 4.320 -0.002 0.000 0.216 470 A C 2.389 180.071 177.584 0.163 0.000 1.186 470 A CA 1.026 53.138 52.037 0.126 0.000 0.620 470 A CB -0.754 18.279 19.000 0.055 0.000 0.822 470 A HN 0.208 nan 8.150 nan 0.000 0.443 471 L N -2.305 119.000 121.223 0.137 0.000 2.179 471 L HA -0.100 4.239 4.340 -0.002 0.000 0.208 471 L C 2.521 179.525 176.870 0.224 0.000 1.096 471 L CA 1.252 56.175 54.840 0.138 0.000 0.779 471 L CB -0.646 41.428 42.059 0.026 0.000 0.922 471 L HN 0.592 nan 8.230 nan 0.000 0.443 472 Y N 1.444 121.823 120.300 0.132 0.000 2.081 472 Y HA -0.376 4.173 4.550 -0.002 0.000 0.280 472 Y C 2.845 178.825 175.900 0.133 0.000 1.163 472 Y CA 2.017 60.199 58.100 0.138 0.000 1.135 472 Y CB -0.151 38.393 38.460 0.141 0.000 0.970 472 Y HN -0.020 nan 8.280 nan 0.000 0.498 473 R N -0.180 120.430 120.500 0.184 0.000 2.092 473 R HA -0.199 4.140 4.340 -0.002 0.000 0.231 473 R C 2.054 178.361 176.300 0.013 0.000 1.119 473 R CA 1.900 58.037 56.100 0.061 0.000 0.970 473 R CB -1.471 28.939 30.300 0.183 0.000 0.864 473 R HN 0.661 nan 8.270 nan 0.000 0.440 474 W N 0.542 121.800 121.300 -0.071 0.000 2.335 474 W HA -0.161 4.498 4.660 -0.002 0.000 0.311 474 W C 1.623 178.049 176.519 -0.155 0.000 1.213 474 W CA 2.088 59.376 57.345 -0.095 0.000 1.274 474 W CB -0.254 29.154 29.460 -0.085 0.000 1.148 474 W HN 0.086 nan 8.180 nan 0.000 0.498 475 I N 0.807 121.370 120.570 -0.012 0.000 2.179 475 I HA -0.355 3.813 4.170 -0.002 0.000 0.242 475 I C 2.473 178.384 176.117 -0.343 0.000 1.088 475 I CA 1.401 62.541 61.300 -0.267 0.000 1.357 475 I CB -0.776 37.135 38.000 -0.148 0.000 1.051 475 I HN -0.110 nan 8.210 nan 0.000 0.409 476 K N 0.354 120.564 120.400 -0.317 0.000 2.103 476 K HA -0.178 4.141 4.320 -0.002 0.000 0.207 476 K C 2.286 178.747 176.600 -0.232 0.000 1.048 476 K CA 1.539 57.661 56.287 -0.275 0.000 0.930 476 K CB -0.595 31.698 32.500 -0.346 0.000 0.716 476 K HN 0.246 nan 8.250 nan 0.000 0.444 477 S N 0.422 115.954 115.700 -0.279 0.000 2.371 477 S HA -0.059 4.410 4.470 -0.002 0.000 0.224 477 S C 2.028 176.413 174.600 -0.357 0.000 1.029 477 S CA 0.845 58.883 58.200 -0.269 0.000 0.978 477 S CB 0.042 63.089 63.200 -0.254 0.000 0.833 477 S HN 0.047 nan 8.310 nan 0.000 0.466 478 V N 0.818 120.378 119.914 -0.590 0.000 2.535 478 V HA 0.108 4.227 4.120 -0.002 0.000 0.246 478 V C 0.444 176.279 176.094 -0.432 0.000 1.045 478 V CA 1.381 63.287 62.300 -0.657 0.000 1.058 478 V CB -0.149 30.910 31.823 -1.273 0.000 0.689 478 V HN 0.489 nan 8.190 nan 0.000 0.461 479 D N -0.468 119.726 120.400 -0.343 0.000 2.363 479 D HA 0.240 4.879 4.640 -0.002 0.000 0.258 479 D C -2.041 174.227 176.300 -0.052 0.000 1.259 479 D CA -1.717 52.197 54.000 -0.144 0.000 0.921 479 D CB 1.574 42.365 40.800 -0.015 0.000 1.201 479 D HN 0.128 nan 8.370 nan 0.000 0.524 480 P HA -0.022 nan 4.420 nan 0.000 0.242 480 P C 0.894 178.205 177.300 0.018 0.000 1.197 480 P CA 0.307 63.391 63.100 -0.028 0.000 0.765 480 P CB 0.154 31.831 31.700 -0.038 0.000 0.936 481 S N -1.099 114.622 115.700 0.036 0.000 2.496 481 S HA 0.099 4.567 4.470 -0.002 0.000 0.224 481 S C 0.930 175.558 174.600 0.047 0.000 0.996 481 S CA -0.243 57.986 58.200 0.047 0.000 0.927 481 S CB -0.268 62.954 63.200 0.036 0.000 0.774 481 S HN 0.087 nan 8.310 nan 0.000 0.524 482 R N 1.352 121.894 120.500 0.069 0.000 2.628 482 R HA 0.540 4.879 4.340 -0.002 0.000 0.288 482 R C -3.216 173.140 176.300 0.092 0.000 0.980 482 R CA -2.279 53.837 56.100 0.026 0.000 0.891 482 R CB 1.425 31.639 30.300 -0.143 0.000 1.188 482 R HN 0.146 nan 8.270 nan 0.000 0.450 483 P HA 0.020 nan 4.420 nan 0.000 0.269 483 P C -0.770 176.634 177.300 0.174 0.000 1.215 483 P CA -0.282 62.883 63.100 0.108 0.000 0.780 483 P CB 0.623 32.371 31.700 0.081 0.000 0.898 484 V N 2.951 122.997 119.914 0.219 0.000 2.417 484 V HA 0.379 4.498 4.120 -0.002 0.000 0.291 484 V C 0.288 176.567 176.094 0.308 0.000 1.024 484 V CA -0.318 62.160 62.300 0.296 0.000 0.861 484 V CB 0.962 32.941 31.823 0.260 0.000 0.985 484 V HN 0.593 nan 8.190 nan 0.000 0.436 485 Q N 3.915 123.873 119.800 0.263 0.000 2.399 485 Q HA 0.815 5.154 4.340 -0.002 0.000 0.276 485 Q C -1.763 174.401 176.000 0.275 0.000 1.098 485 Q CA -0.920 55.009 55.803 0.209 0.000 0.827 485 Q CB 2.929 31.738 28.738 0.117 0.000 1.386 485 Q HN 0.653 nan 8.270 nan 0.000 0.443 486 Y N -0.012 120.306 120.300 0.030 0.000 2.409 486 Y HA 0.137 4.686 4.550 -0.002 0.000 0.321 486 Y C -0.528 175.330 175.900 -0.071 0.000 1.209 486 Y CA -0.711 57.376 58.100 -0.022 0.000 1.086 486 Y CB 2.026 40.464 38.460 -0.037 0.000 1.320 486 Y HN 0.944 nan 8.280 nan 0.000 0.440 487 E N 3.309 123.038 120.200 -0.785 0.000 2.250 487 E HA 0.134 4.483 4.350 -0.002 0.000 0.192 487 E C 0.663 176.860 176.600 -0.672 0.000 0.986 487 E CA 0.755 56.810 56.400 -0.574 0.000 0.849 487 E CB 0.237 29.708 29.700 -0.382 0.000 0.797 487 E HN 0.886 nan 8.360 nan 0.000 0.482 488 G N -0.178 107.840 108.800 -1.304 0.000 2.484 488 G HA2 0.239 4.198 3.960 -0.002 0.000 0.235 488 G HA3 0.239 4.198 3.960 -0.002 0.000 0.235 488 G C 0.770 175.578 174.900 -0.153 0.000 1.282 488 G CA 0.280 45.030 45.100 -0.584 0.000 0.857 488 G HN 0.337 nan 8.290 nan 0.000 0.571 489 G N -0.538 108.263 108.800 0.002 0.000 2.176 489 G HA2 0.237 4.196 3.960 -0.002 0.000 0.252 489 G HA3 0.237 4.196 3.960 -0.002 0.000 0.252 489 G C 1.259 176.180 174.900 0.036 0.000 1.024 489 G CA 0.995 46.144 45.100 0.080 0.000 0.755 489 G HN 2.631 nan 8.290 nan 0.000 0.507 490 G N -1.571 107.245 108.800 0.026 0.000 2.168 490 G HA2 0.422 4.381 3.960 -0.002 0.000 0.197 490 G HA3 0.422 4.381 3.960 -0.002 0.000 0.197 490 G C 1.047 176.072 174.900 0.209 0.000 0.997 490 G CA 1.228 46.401 45.100 0.121 0.000 0.658 490 G HN 2.379 nan 8.290 nan 0.000 0.513 491 A N -0.384 122.449 122.820 0.021 0.000 3.396 491 A HA -0.128 4.191 4.320 -0.002 0.000 0.267 491 A C 1.137 178.666 177.584 -0.092 0.000 1.139 491 A CA 2.634 54.623 52.037 -0.080 0.000 1.115 491 A CB -1.742 17.184 19.000 -0.122 0.000 1.133 491 A HN 2.134 nan 8.150 nan 0.000 0.920 492 D N -0.792 119.632 120.400 0.041 0.000 2.692 492 D HA 0.318 4.957 4.640 -0.002 0.000 0.290 492 D C 0.420 176.717 176.300 -0.005 0.000 1.455 492 D CA 0.823 54.848 54.000 0.042 0.000 0.796 492 D CB -1.114 39.842 40.800 0.259 0.000 1.131 492 D HN 0.815 nan 8.370 nan 0.000 0.467 493 T N -2.544 111.944 114.554 -0.110 0.000 2.698 493 T HA 0.207 4.555 4.350 -0.002 0.000 0.295 493 T C 1.628 176.195 174.700 -0.221 0.000 1.007 493 T CA 0.393 62.346 62.100 -0.246 0.000 0.980 493 T CB 0.884 69.365 68.868 -0.645 0.000 1.036 493 T HN 0.087 nan 8.240 nan 0.000 0.526 494 T N -2.511 111.900 114.554 -0.237 0.000 3.155 494 T HA 0.165 4.514 4.350 -0.002 0.000 0.264 494 T C 1.537 175.994 174.700 -0.405 0.000 1.160 494 T CA 0.345 62.321 62.100 -0.206 0.000 1.075 494 T CB -0.525 68.298 68.868 -0.075 0.000 0.921 494 T HN 0.838 nan 8.240 nan 0.000 0.533 495 A N 0.345 122.977 122.820 -0.314 0.000 2.460 495 A HA 0.511 4.830 4.320 -0.002 0.000 0.258 495 A C 0.818 178.294 177.584 -0.180 0.000 1.300 495 A CA -0.280 51.568 52.037 -0.314 0.000 0.913 495 A CB 0.088 19.180 19.000 0.153 0.000 1.031 495 A HN 0.425 nan 8.150 nan 0.000 0.512 496 T N -1.204 113.226 114.554 -0.207 0.000 2.971 496 T HA 0.337 4.686 4.350 -0.002 0.000 0.304 496 T C -0.618 174.107 174.700 0.041 0.000 1.038 496 T CA -0.468 61.649 62.100 0.029 0.000 1.007 496 T CB 1.127 70.010 68.868 0.025 0.000 1.055 496 T HN 0.113 nan 8.240 nan 0.000 0.451 497 D N 3.087 123.591 120.400 0.173 0.000 2.347 497 D HA 0.217 4.855 4.640 -0.002 0.000 0.213 497 D C 0.401 176.735 176.300 0.056 0.000 0.985 497 D CA 0.784 54.869 54.000 0.141 0.000 0.879 497 D CB 0.457 41.371 40.800 0.189 0.000 0.919 497 D HN 0.546 nan 8.370 nan 0.000 0.526 498 I N 1.064 121.650 120.570 0.026 0.000 2.499 498 I HA 0.236 4.404 4.170 -0.002 0.000 0.288 498 I C -0.221 175.836 176.117 -0.100 0.000 1.048 498 I CA -0.866 60.415 61.300 -0.031 0.000 1.062 498 I CB 2.746 40.739 38.000 -0.011 0.000 1.238 498 I HN -0.347 nan 8.210 nan 0.000 0.426 499 I N 5.969 126.432 120.570 -0.179 0.000 2.578 499 I HA 0.011 4.180 4.170 -0.002 0.000 0.286 499 I C 0.337 176.245 176.117 -0.347 0.000 1.126 499 I CA 0.107 61.202 61.300 -0.342 0.000 1.380 499 I CB -0.011 37.667 38.000 -0.536 0.000 1.408 499 I HN 0.688 nan 8.210 nan 0.000 0.532 500 C N 5.703 124.817 119.300 -0.311 0.000 3.290 500 C HA 0.470 4.929 4.460 -0.002 0.000 0.206 500 C C -2.127 172.733 174.990 -0.217 0.000 1.639 500 C CA -2.207 56.683 59.018 -0.213 0.000 1.408 500 C CB -0.857 26.815 27.740 -0.113 0.000 2.197 500 C HN 0.428 nan 8.230 nan 0.000 0.508 501 P HA 0.289 nan 4.420 nan 0.000 0.272 501 P C -0.377 176.874 177.300 -0.081 0.000 1.240 501 P CA 0.328 63.342 63.100 -0.144 0.000 0.791 501 P CB 0.866 32.503 31.700 -0.105 0.000 0.978 502 M N 0.537 120.109 119.600 -0.046 0.000 2.205 502 M HA 0.413 4.892 4.480 -0.002 0.000 0.344 502 M C -0.682 175.621 176.300 0.005 0.000 1.085 502 M CA -0.625 54.552 55.300 -0.205 0.000 1.001 502 M CB 0.744 33.200 32.600 -0.241 0.000 1.626 502 M HN 0.322 nan 8.290 nan 0.000 0.442 503 Y N -0.118 120.339 120.300 0.263 0.000 4.177 503 Y HA -0.217 4.332 4.550 -0.002 0.000 0.227 503 Y C 0.531 176.603 175.900 0.287 0.000 1.154 503 Y CA 0.421 58.685 58.100 0.273 0.000 1.887 503 Y CB -2.268 36.328 38.460 0.226 0.000 1.594 503 Y HN 0.968 nan 8.280 nan 0.000 0.668 504 A N 1.128 124.169 122.820 0.369 0.000 2.477 504 A HA 0.538 4.857 4.320 -0.002 0.000 0.246 504 A C 0.727 178.538 177.584 0.379 0.000 1.078 504 A CA -0.394 51.869 52.037 0.375 0.000 0.770 504 A CB 0.367 19.631 19.000 0.440 0.000 1.011 504 A HN 0.432 nan 8.150 nan 0.000 0.494 505 R N 1.603 122.257 120.500 0.256 0.000 2.543 505 R HA 0.345 4.684 4.340 -0.002 0.000 0.268 505 R C 0.972 177.251 176.300 -0.035 0.000 1.067 505 R CA -0.763 55.413 56.100 0.128 0.000 1.142 505 R CB 0.710 31.054 30.300 0.072 0.000 1.110 505 R HN 0.490 nan 8.270 nan 0.000 0.549 506 V N 0.717 120.452 119.914 -0.298 0.000 2.283 506 V HA -0.199 3.920 4.120 -0.002 0.000 0.243 506 V C 0.966 176.947 176.094 -0.188 0.000 1.039 506 V CA 1.877 63.958 62.300 -0.366 0.000 1.016 506 V CB -0.241 31.237 31.823 -0.574 0.000 0.650 506 V HN 0.752 nan 8.190 nan 0.000 0.449 507 D N -1.515 118.805 120.400 -0.133 0.000 2.454 507 D HA 0.093 4.732 4.640 -0.002 0.000 0.219 507 D C 0.936 177.219 176.300 -0.028 0.000 1.081 507 D CA 0.054 54.010 54.000 -0.072 0.000 0.867 507 D CB 0.639 41.401 40.800 -0.064 0.000 1.054 507 D HN 0.449 nan 8.370 nan 0.000 0.500 508 E N 2.084 122.272 120.200 -0.021 0.000 2.167 508 E HA 0.086 4.435 4.350 -0.002 0.000 0.284 508 E C -0.817 175.783 176.600 0.001 0.000 1.016 508 E CA -0.565 55.830 56.400 -0.008 0.000 0.817 508 E CB 0.828 30.523 29.700 -0.008 0.000 1.080 508 E HN -0.145 nan 8.360 nan 0.000 0.397 509 D N 3.824 124.227 120.400 0.005 0.000 2.382 509 D HA 0.073 4.712 4.640 -0.002 0.000 0.245 509 D C -0.503 175.695 176.300 -0.169 0.000 1.120 509 D CA 0.389 54.386 54.000 -0.005 0.000 0.890 509 D CB 1.015 41.882 40.800 0.111 0.000 1.201 509 D HN 0.418 nan 8.370 nan 0.000 0.433 510 Q N 1.903 121.491 119.800 -0.353 0.000 2.674 510 Q HA 0.244 4.583 4.340 -0.002 0.000 0.249 510 Q C -2.189 173.214 176.000 -0.995 0.000 1.011 510 Q CA -1.537 53.858 55.803 -0.681 0.000 0.734 510 Q CB 2.303 30.617 28.738 -0.707 0.000 1.201 510 Q HN 0.184 nan 8.270 nan 0.000 0.498 511 P HA 0.022 nan 4.420 nan 0.000 0.218 511 P C -0.649 176.342 177.300 -0.515 0.000 1.793 511 P CA -0.180 62.490 63.100 -0.717 0.000 0.941 511 P CB -0.556 30.928 31.700 -0.361 0.000 1.919 512 F N 1.716 121.483 119.950 -0.305 0.000 2.629 512 F HA 0.072 4.598 4.527 -0.002 0.000 0.369 512 F C -1.153 174.536 175.800 -0.186 0.000 1.125 512 F CA -1.905 55.977 58.000 -0.195 0.000 1.330 512 F CB -0.781 38.125 39.000 -0.157 0.000 1.071 512 F HN 0.077 nan 8.300 nan 0.000 0.595 513 P HA 0.102 nan 4.420 nan 0.000 0.268 513 P C 0.307 177.618 177.300 0.019 0.000 1.204 513 P CA 1.155 64.267 63.100 0.021 0.000 0.768 513 P CB 1.071 32.784 31.700 0.022 0.000 0.842 514 A N 2.837 125.662 122.820 0.009 0.000 2.617 514 A HA -0.253 4.066 4.320 -0.002 0.000 0.236 514 A C 0.806 178.399 177.584 0.015 0.000 0.514 514 A CA 2.062 54.110 52.037 0.020 0.000 1.126 514 A CB -2.689 16.325 19.000 0.023 0.000 1.393 514 A HN 0.701 nan 8.150 nan 0.000 0.693 515 V N -2.803 117.113 119.914 0.004 0.000 2.572 515 V HA 0.552 4.670 4.120 -0.002 0.000 0.274 515 V C -2.287 173.793 176.094 -0.024 0.000 1.075 515 V CA -1.270 61.035 62.300 0.007 0.000 1.237 515 V CB 0.480 32.312 31.823 0.015 0.000 1.517 515 V HN 0.503 nan 8.190 nan 0.000 0.616 516 P HA 0.230 nan 4.420 nan 0.000 0.269 516 P C -0.567 176.331 177.300 -0.670 0.000 1.209 516 P CA 0.168 62.891 63.100 -0.629 0.000 0.776 516 P CB 0.979 31.831 31.700 -1.413 0.000 0.876 517 K N 2.664 122.774 120.400 -0.483 0.000 2.357 517 K HA 0.187 4.505 4.320 -0.002 0.000 0.251 517 K C -0.344 175.999 176.600 -0.429 0.000 1.069 517 K CA -0.261 55.887 56.287 -0.231 0.000 0.994 517 K CB 0.261 32.883 32.500 0.204 0.000 1.411 517 K HN 0.471 nan 8.250 nan 0.000 0.450 518 W N 1.580 122.551 121.300 -0.549 0.000 2.150 518 W HA -0.003 4.656 4.660 -0.002 0.000 0.341 518 W C 1.313 177.835 176.519 0.004 0.000 1.276 518 W CA -0.515 56.602 57.345 -0.380 0.000 1.238 518 W CB 0.422 29.469 29.460 -0.688 0.000 1.128 518 W HN 0.406 nan 8.180 nan 0.000 0.581 519 S N 3.642 119.494 115.700 0.253 0.000 2.558 519 S HA -0.078 4.391 4.470 -0.002 0.000 0.293 519 S C 1.085 175.833 174.600 0.248 0.000 1.292 519 S CA -0.123 58.180 58.200 0.171 0.000 1.063 519 S CB 0.191 63.431 63.200 0.067 0.000 0.831 519 S HN 0.538 nan 8.310 nan 0.000 0.499 520 I N 1.538 122.224 120.570 0.192 0.000 2.361 520 I HA -0.157 4.012 4.170 -0.002 0.000 0.251 520 I C 2.100 178.242 176.117 0.041 0.000 1.133 520 I CA 1.217 62.628 61.300 0.186 0.000 1.413 520 I CB -0.471 37.583 38.000 0.090 0.000 1.073 520 I HN 0.615 nan 8.210 nan 0.000 0.424 521 K N 1.526 121.846 120.400 -0.135 0.000 2.057 521 K HA -0.177 4.142 4.320 -0.002 0.000 0.207 521 K C 2.297 178.876 176.600 -0.034 0.000 1.049 521 K CA 1.749 57.861 56.287 -0.292 0.000 0.931 521 K CB -0.219 32.024 32.500 -0.429 0.000 0.714 521 K HN 0.396 nan 8.250 nan 0.000 0.440 522 K N 0.212 120.625 120.400 0.021 0.000 2.103 522 K HA -0.165 4.154 4.320 -0.002 0.000 0.204 522 K C 1.933 178.553 176.600 0.033 0.000 1.052 522 K CA 0.823 57.111 56.287 0.002 0.000 0.945 522 K CB -0.070 32.402 32.500 -0.047 0.000 0.722 522 K HN 0.205 nan 8.250 nan 0.000 0.443 523 W N 2.158 123.436 121.300 -0.036 0.000 2.318 523 W HA -0.207 4.452 4.660 -0.002 0.000 0.313 523 W C 1.670 178.168 176.519 -0.035 0.000 1.221 523 W CA 1.215 58.553 57.345 -0.012 0.000 1.266 523 W CB -0.711 28.821 29.460 0.119 0.000 1.150 523 W HN 0.096 nan 8.180 nan 0.000 0.496 524 L N 0.747 122.118 121.223 0.246 0.000 2.081 524 L HA -0.263 4.076 4.340 -0.002 0.000 0.212 524 L C 2.238 179.169 176.870 0.103 0.000 1.080 524 L CA 2.093 57.013 54.840 0.133 0.000 0.754 524 L CB -1.025 41.099 42.059 0.108 0.000 0.893 524 L HN 0.018 nan 8.230 nan 0.000 0.433 525 S N -1.617 114.129 115.700 0.076 0.000 2.568 525 S HA 0.259 4.728 4.470 -0.002 0.000 0.232 525 S C 0.510 175.097 174.600 -0.021 0.000 0.975 525 S CA -0.574 57.645 58.200 0.031 0.000 0.949 525 S CB -0.361 62.859 63.200 0.033 0.000 0.829 525 S HN 0.149 nan 8.310 nan 0.000 0.479 526 L N 2.214 123.413 121.223 -0.040 0.000 2.514 526 L HA 0.206 4.545 4.340 -0.002 0.000 0.280 526 L C -2.181 174.656 176.870 -0.055 0.000 1.223 526 L CA -1.571 53.200 54.840 -0.115 0.000 0.864 526 L CB -0.299 41.662 42.059 -0.164 0.000 1.118 526 L HN 0.045 nan 8.230 nan 0.000 0.494 527 P HA -0.060 nan 4.420 nan 0.000 0.257 527 P C 0.758 178.051 177.300 -0.012 0.000 1.162 527 P CA 1.233 64.310 63.100 -0.039 0.000 0.762 527 P CB 0.451 32.122 31.700 -0.048 0.000 0.753 528 G N 1.924 110.723 108.800 -0.000 0.000 2.225 528 G HA2 -0.270 3.688 3.960 -0.002 0.000 0.254 528 G HA3 -0.270 3.688 3.960 -0.002 0.000 0.254 528 G C 0.272 175.187 174.900 0.025 0.000 0.988 528 G CA 0.074 45.181 45.100 0.012 0.000 0.625 528 G HN 0.608 nan 8.290 nan 0.000 0.527 529 E N 1.111 121.331 120.200 0.032 0.000 2.316 529 E HA 0.599 4.948 4.350 -0.002 0.000 0.275 529 E C 1.393 178.016 176.600 0.039 0.000 1.029 529 E CA 0.699 57.130 56.400 0.051 0.000 0.871 529 E CB 0.834 30.588 29.700 0.091 0.000 1.022 529 E HN 0.520 nan 8.360 nan 0.000 0.418 530 T N 0.606 115.179 114.554 0.033 0.000 3.009 530 T HA 0.317 4.666 4.350 -0.002 0.000 0.267 530 T C 0.621 175.331 174.700 0.016 0.000 0.942 530 T CA -0.431 61.683 62.100 0.024 0.000 0.883 530 T CB 0.107 68.989 68.868 0.023 0.000 1.192 530 T HN 0.239 nan 8.240 nan 0.000 0.524 531 R N 2.597 123.102 120.500 0.009 0.000 2.679 531 R HA 0.410 4.749 4.340 -0.002 0.000 0.269 531 R C -2.459 173.823 176.300 -0.030 0.000 1.076 531 R CA -1.766 54.328 56.100 -0.009 0.000 1.160 531 R CB 0.065 30.352 30.300 -0.021 0.000 1.054 531 R HN 0.259 nan 8.270 nan 0.000 0.507 532 P HA 0.047 nan 4.420 nan 0.000 0.274 532 P C -1.043 176.190 177.300 -0.111 0.000 1.237 532 P CA -0.055 63.006 63.100 -0.064 0.000 0.793 532 P CB 0.734 32.398 31.700 -0.060 0.000 0.977 533 L N 3.130 124.269 121.223 -0.140 0.000 2.325 533 L HA 0.561 4.900 4.340 -0.002 0.000 0.281 533 L C -0.830 175.905 176.870 -0.225 0.000 1.004 533 L CA -0.676 54.043 54.840 -0.202 0.000 0.823 533 L CB 0.543 42.475 42.059 -0.212 0.000 1.236 533 L HN 0.244 nan 8.230 nan 0.000 0.415 534 I N 5.788 126.230 120.570 -0.214 0.000 2.500 534 I HA 0.254 4.423 4.170 -0.002 0.000 0.286 534 I C -0.756 175.274 176.117 -0.146 0.000 1.063 534 I CA -0.575 60.588 61.300 -0.229 0.000 1.062 534 I CB 1.972 39.891 38.000 -0.136 0.000 1.223 534 I HN 0.468 nan 8.210 nan 0.000 0.435 535 L N 5.568 126.677 121.223 -0.190 0.000 2.477 535 L HA 0.021 4.360 4.340 -0.002 0.000 0.272 535 L C 1.530 178.479 176.870 0.132 0.000 1.157 535 L CA -0.157 54.636 54.840 -0.078 0.000 0.889 535 L CB 0.605 42.584 42.059 -0.133 0.000 1.158 535 L HN 0.882 nan 8.230 nan 0.000 0.473 536 C N 0.515 119.867 119.300 0.087 0.000 2.446 536 C HA 0.097 4.555 4.460 -0.002 0.000 0.279 536 C C 0.656 175.764 174.990 0.196 0.000 1.366 536 C CA -0.105 58.995 59.018 0.138 0.000 1.763 536 C CB -0.941 26.789 27.740 -0.016 0.000 1.929 536 C HN 0.814 nan 8.230 nan 0.000 0.509 537 E N -0.657 119.581 120.200 0.062 0.000 2.304 537 E HA 0.617 4.966 4.350 -0.002 0.000 0.277 537 E C -1.328 175.169 176.600 -0.172 0.000 0.898 537 E CA -0.379 56.016 56.400 -0.008 0.000 0.764 537 E CB 1.913 31.437 29.700 -0.293 0.000 1.216 537 E HN 0.699 nan 8.360 nan 0.000 0.419 538 Y N -0.966 119.274 120.300 -0.100 0.000 2.725 538 Y HA 0.633 5.181 4.550 -0.002 0.000 0.333 538 Y C -0.677 175.365 175.900 0.236 0.000 1.242 538 Y CA -0.894 57.177 58.100 -0.049 0.000 1.059 538 Y CB 0.897 39.200 38.460 -0.262 0.000 1.306 538 Y HN 0.646 nan 8.280 nan 0.000 0.454 539 A N 1.974 124.829 122.820 0.058 0.000 2.303 539 A HA -0.265 4.053 4.320 -0.002 0.000 0.286 539 A C -0.343 177.358 177.584 0.194 0.000 1.429 539 A CA 1.065 53.148 52.037 0.078 0.000 0.738 539 A CB -2.496 16.463 19.000 -0.069 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.691 119.913 119.070 0.253 0.000 3.226 540 H HA 0.234 4.789 4.556 -0.002 0.000 0.260 540 H C 1.122 176.503 175.328 0.087 0.000 0.967 540 H CA 0.964 57.160 56.048 0.247 0.000 1.435 540 H CB 0.368 30.163 29.762 0.055 0.000 1.533 540 H HN 0.796 nan 8.280 nan 0.000 0.525 541 A N 6.695 129.435 122.820 -0.133 0.000 2.840 541 A HA 0.069 4.388 4.320 -0.002 0.000 0.269 541 A C 0.900 178.337 177.584 -0.246 0.000 1.439 541 A CA -0.415 51.507 52.037 -0.192 0.000 1.083 541 A CB -0.573 18.272 19.000 -0.258 0.000 1.019 541 A HN 0.787 nan 8.150 nan 0.000 0.607 542 M N 1.524 121.022 119.600 -0.170 0.000 2.156 542 M HA 0.427 4.905 4.480 -0.002 0.000 0.345 542 M C 1.048 177.226 176.300 -0.202 0.000 1.398 542 M CA 1.244 56.448 55.300 -0.159 0.000 1.148 542 M CB -0.223 32.375 32.600 -0.003 0.000 1.663 542 M HN 0.817 nan 8.290 nan 0.000 0.464 543 G N 4.452 113.121 108.800 -0.218 0.000 2.574 543 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.286 543 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.286 543 G C -0.103 174.404 174.900 -0.654 0.000 1.212 543 G CA 0.083 44.936 45.100 -0.410 0.000 0.979 543 G HN 0.827 nan 8.290 nan 0.000 0.557 544 N N 1.454 119.567 118.700 -0.979 0.000 2.434 544 N HA 0.464 5.203 4.740 -0.002 0.000 0.273 544 N C 0.013 175.297 175.510 -0.376 0.000 1.210 544 N CA 1.154 53.773 53.050 -0.720 0.000 0.992 544 N CB 0.311 38.386 38.487 -0.688 0.000 1.355 544 N HN 0.777 nan 8.380 nan 0.000 0.495 545 S N 1.858 117.421 115.700 -0.229 0.000 2.998 545 S HA 0.582 5.050 4.470 -0.002 0.000 0.321 545 S C -0.055 174.490 174.600 -0.092 0.000 1.171 545 S CA -0.404 57.706 58.200 -0.149 0.000 0.882 545 S CB 0.191 63.320 63.200 -0.119 0.000 1.301 545 S HN 0.375 nan 8.310 nan 0.000 0.629 546 L N 0.256 121.453 121.223 -0.043 0.000 4.560 546 L HA -0.076 4.263 4.340 -0.002 0.000 0.415 546 L C 0.529 177.446 176.870 0.078 0.000 1.123 546 L CA 0.876 55.719 54.840 0.005 0.000 0.991 546 L CB -1.722 40.250 42.059 -0.144 0.000 2.127 546 L HN 0.731 nan 8.230 nan 0.000 0.765 547 G N -0.609 108.205 108.800 0.024 0.000 2.313 547 G HA2 0.459 4.418 3.960 -0.002 0.000 0.250 547 G HA3 0.459 4.418 3.960 -0.002 0.000 0.250 547 G C 1.228 176.179 174.900 0.085 0.000 1.281 547 G CA 0.184 45.279 45.100 -0.009 0.000 0.917 547 G HN 1.435 nan 8.290 nan 0.000 0.501 548 G N 1.787 110.633 108.800 0.077 0.000 2.141 548 G HA2 -0.310 3.648 3.960 -0.002 0.000 0.242 548 G HA3 -0.310 3.648 3.960 -0.002 0.000 0.242 548 G C 0.934 176.025 174.900 0.319 0.000 0.982 548 G CA 0.700 45.899 45.100 0.166 0.000 0.662 548 G HN 0.785 nan 8.290 nan 0.000 0.527 549 F N 1.691 121.770 119.950 0.215 0.000 2.134 549 F HA 0.157 4.682 4.527 -0.002 0.000 0.299 549 F C 2.641 178.658 175.800 0.361 0.000 1.097 549 F CA 2.433 60.634 58.000 0.335 0.000 1.264 549 F CB -0.391 38.745 39.000 0.227 0.000 1.001 549 F HN 0.338 nan 8.300 nan 0.000 0.479 550 A N -0.325 122.667 122.820 0.286 0.000 2.019 550 A HA -0.237 4.082 4.320 -0.002 0.000 0.219 550 A C 2.286 179.903 177.584 0.055 0.000 1.164 550 A CA 1.758 53.894 52.037 0.165 0.000 0.644 550 A CB -0.788 18.314 19.000 0.170 0.000 0.805 550 A HN 0.454 nan 8.150 nan 0.000 0.449 551 K N -1.541 118.873 120.400 0.022 0.000 2.057 551 K HA -0.169 4.150 4.320 -0.002 0.000 0.207 551 K C 1.726 178.113 176.600 -0.355 0.000 1.049 551 K CA 1.614 57.827 56.287 -0.122 0.000 0.931 551 K CB -0.327 32.099 32.500 -0.124 0.000 0.714 551 K HN 0.572 nan 8.250 nan 0.000 0.440 552 Y N -0.857 119.189 120.300 -0.423 0.000 2.128 552 Y HA -0.265 4.283 4.550 -0.002 0.000 0.284 552 Y C 2.003 176.984 175.900 -1.531 0.000 1.154 552 Y CA 1.675 59.164 58.100 -1.018 0.000 1.149 552 Y CB -0.319 37.552 38.460 -0.981 0.000 0.976 552 Y HN 0.200 nan 8.280 nan 0.000 0.505 553 W N -0.226 120.662 121.300 -0.687 0.000 2.436 553 W HA -0.152 4.507 4.660 -0.002 0.000 0.284 553 W C 2.585 178.944 176.519 -0.266 0.000 1.225 553 W CA 1.181 58.252 57.345 -0.458 0.000 1.271 553 W CB -0.398 28.880 29.460 -0.303 0.000 1.114 553 W HN 0.044 nan 8.180 nan 0.000 0.559 554 Q N 0.820 120.571 119.800 -0.082 0.000 2.084 554 Q HA -0.166 4.173 4.340 -0.002 0.000 0.202 554 Q C 2.184 178.146 176.000 -0.063 0.000 0.978 554 Q CA 2.008 57.788 55.803 -0.038 0.000 0.844 554 Q CB -0.513 28.212 28.738 -0.023 0.000 0.898 554 Q HN 0.275 nan 8.270 nan 0.000 0.426 555 A N 0.259 122.950 122.820 -0.214 0.000 1.873 555 A HA -0.138 4.180 4.320 -0.002 0.000 0.215 555 A C 1.846 179.417 177.584 -0.021 0.000 1.186 555 A CA 1.229 53.165 52.037 -0.168 0.000 0.616 555 A CB -0.869 17.899 19.000 -0.387 0.000 0.823 555 A HN 0.363 nan 8.150 nan 0.000 0.442 556 F N 0.274 120.084 119.950 -0.234 0.000 2.091 556 F HA -0.187 4.339 4.527 -0.002 0.000 0.299 556 F C 2.529 178.259 175.800 -0.116 0.000 1.103 556 F CA 1.509 59.337 58.000 -0.287 0.000 1.228 556 F CB -0.961 37.662 39.000 -0.627 0.000 0.984 556 F HN 0.183 nan 8.300 nan 0.000 0.477 557 R N -0.363 120.220 120.500 0.138 0.000 2.090 557 R HA -0.141 4.198 4.340 -0.002 0.000 0.228 557 R C 2.180 178.525 176.300 0.075 0.000 1.110 557 R CA 1.141 57.298 56.100 0.095 0.000 0.973 557 R CB -0.456 29.895 30.300 0.086 0.000 0.869 557 R HN 0.391 nan 8.270 nan 0.000 0.440 558 Q N -0.244 119.625 119.800 0.115 0.000 2.137 558 Q HA -0.073 4.266 4.340 -0.002 0.000 0.198 558 Q C -0.410 175.610 176.000 0.034 0.000 0.960 558 Q CA 1.016 56.869 55.803 0.084 0.000 0.847 558 Q CB 0.344 29.162 28.738 0.133 0.000 0.915 558 Q HN 0.202 nan 8.270 nan 0.000 0.448 559 Y N 0.261 120.551 120.300 -0.015 0.000 2.385 559 Y HA 0.249 4.798 4.550 -0.002 0.000 0.341 559 Y C -1.765 174.118 175.900 -0.028 0.000 0.965 559 Y CA -2.775 55.315 58.100 -0.018 0.000 1.180 559 Y CB 1.324 39.777 38.460 -0.011 0.000 1.139 559 Y HN 0.154 nan 8.280 nan 0.000 0.502 560 P HA -0.224 nan 4.420 nan 0.000 0.216 560 P C 1.143 178.449 177.300 0.011 0.000 1.157 560 P CA 1.963 65.069 63.100 0.010 0.000 0.880 560 P CB 0.299 31.991 31.700 -0.015 0.000 0.791 561 R N -1.298 119.227 120.500 0.042 0.000 2.299 561 R HA 0.116 4.455 4.340 -0.002 0.000 0.197 561 R C 0.445 176.731 176.300 -0.023 0.000 0.971 561 R CA 0.040 56.145 56.100 0.008 0.000 1.030 561 R CB -0.415 29.900 30.300 0.025 0.000 0.932 561 R HN 0.244 nan 8.270 nan 0.000 0.477 562 L N 1.944 123.173 121.223 0.010 0.000 2.334 562 L HA 0.131 4.470 4.340 -0.002 0.000 0.286 562 L C 0.527 177.265 176.870 -0.221 0.000 1.108 562 L CA 0.207 55.008 54.840 -0.065 0.000 0.875 562 L CB 1.008 43.103 42.059 0.060 0.000 1.246 562 L HN 0.065 nan 8.230 nan 0.000 0.439 563 Q N 2.815 122.401 119.800 -0.356 0.000 2.201 563 Q HA 0.320 4.659 4.340 -0.002 0.000 0.236 563 Q C 0.799 176.384 176.000 -0.691 0.000 0.857 563 Q CA 0.062 55.620 55.803 -0.409 0.000 1.025 563 Q CB 1.109 29.699 28.738 -0.247 0.000 1.124 563 Q HN 0.955 nan 8.270 nan 0.000 0.473 564 G N -0.286 107.706 108.800 -1.346 0.000 2.418 564 G HA2 0.094 4.053 3.960 -0.002 0.000 0.206 564 G HA3 0.094 4.053 3.960 -0.002 0.000 0.206 564 G C -0.282 173.760 174.900 -1.429 0.000 1.202 564 G CA -0.725 43.209 45.100 -1.943 0.000 1.061 564 G HN 0.594 nan 8.290 nan 0.000 0.563 565 G N -2.197 106.052 108.800 -0.917 0.000 2.328 565 G HA2 0.634 4.593 3.960 -0.002 0.000 0.295 565 G HA3 0.634 4.593 3.960 -0.002 0.000 0.295 565 G C -1.764 173.062 174.900 -0.124 0.000 1.413 565 G CA -0.259 44.543 45.100 -0.496 0.000 0.817 565 G HN 1.162 nan 8.290 nan 0.000 0.546 566 F N 0.641 120.819 119.950 0.381 0.000 2.402 566 F HA 0.523 5.049 4.527 -0.002 0.000 0.355 566 F C 0.770 176.823 175.800 0.423 0.000 1.123 566 F CA -0.803 57.437 58.000 0.399 0.000 1.021 566 F CB 2.067 41.204 39.000 0.228 0.000 1.160 566 F HN 0.246 nan 8.300 nan 0.000 0.451 567 V N 3.449 123.625 119.914 0.436 0.000 2.763 567 V HA -0.134 3.985 4.120 -0.002 0.000 0.306 567 V C -0.213 176.014 176.094 0.222 0.000 1.059 567 V CA -0.332 62.036 62.300 0.112 0.000 1.138 567 V CB 0.676 32.584 31.823 0.141 0.000 0.940 567 V HN 0.755 nan 8.190 nan 0.000 0.489 568 W N 6.632 127.964 121.300 0.054 0.000 2.291 568 W HA 0.441 5.100 4.660 -0.002 0.000 0.312 568 W C -0.757 175.710 176.519 -0.086 0.000 1.061 568 W CA -0.618 56.777 57.345 0.082 0.000 1.296 568 W CB 1.344 30.990 29.460 0.309 0.000 1.223 568 W HN 0.927 nan 8.180 nan 0.000 0.421 569 D N 2.667 122.769 120.400 -0.497 0.000 2.867 569 D HA 0.110 4.749 4.640 -0.002 0.000 0.308 569 D C 0.834 176.922 176.300 -0.354 0.000 1.202 569 D CA -0.542 53.090 54.000 -0.614 0.000 1.035 569 D CB 0.120 40.051 40.800 -1.449 0.000 1.427 569 D HN 0.406 nan 8.370 nan 0.000 0.570 570 W N 0.281 121.286 121.300 -0.492 0.000 2.380 570 W HA 0.132 4.791 4.660 -0.002 0.000 0.317 570 W C -0.154 176.155 176.519 -0.351 0.000 1.196 570 W CA 1.111 58.220 57.345 -0.395 0.000 1.307 570 W CB 0.312 29.566 29.460 -0.343 0.000 1.157 570 W HN 0.136 nan 8.180 nan 0.000 0.483 571 V N 2.695 122.363 119.914 -0.410 0.000 2.709 571 V HA 0.223 4.342 4.120 -0.002 0.000 0.308 571 V C -0.903 174.986 176.094 -0.341 0.000 1.062 571 V CA -0.808 61.219 62.300 -0.454 0.000 0.901 571 V CB 1.488 33.158 31.823 -0.255 0.000 1.003 571 V HN -0.101 nan 8.190 nan 0.000 0.425 572 D N 4.189 124.395 120.400 -0.323 0.000 2.525 572 D HA 0.070 4.709 4.640 -0.002 0.000 0.235 572 D C 0.335 176.496 176.300 -0.232 0.000 1.137 572 D CA 0.718 54.586 54.000 -0.221 0.000 0.868 572 D CB 0.826 41.582 40.800 -0.073 0.000 1.180 572 D HN 0.604 nan 8.370 nan 0.000 0.465 573 Q N 1.116 120.719 119.800 -0.329 0.000 3.041 573 Q HA 0.134 4.473 4.340 -0.002 0.000 0.372 573 Q C -0.165 175.851 176.000 0.027 0.000 1.241 573 Q CA -0.329 55.090 55.803 -0.640 0.000 1.010 573 Q CB 0.110 28.519 28.738 -0.548 0.000 1.467 573 Q HN 0.365 nan 8.270 nan 0.000 0.462 574 S N -0.172 115.633 115.700 0.175 0.000 2.616 574 S HA 0.657 5.126 4.470 -0.002 0.000 0.277 574 S C -0.148 174.600 174.600 0.246 0.000 1.234 574 S CA -0.756 57.621 58.200 0.295 0.000 1.028 574 S CB 1.430 64.766 63.200 0.227 0.000 0.988 574 S HN 0.303 nan 8.310 nan 0.000 0.522 575 L N 1.616 122.885 121.223 0.077 0.000 2.342 575 L HA 0.553 4.891 4.340 -0.002 0.000 0.271 575 L C -0.444 176.282 176.870 -0.239 0.000 1.008 575 L CA -1.043 53.722 54.840 -0.125 0.000 0.818 575 L CB 1.543 43.423 42.059 -0.298 0.000 1.296 575 L HN 0.643 nan 8.230 nan 0.000 0.427 576 I N 2.594 122.979 120.570 -0.308 0.000 2.452 576 I HA 0.130 4.299 4.170 -0.002 0.000 0.287 576 I C 0.198 175.898 176.117 -0.695 0.000 1.079 576 I CA 0.277 61.268 61.300 -0.515 0.000 1.387 576 I CB 0.300 38.033 38.000 -0.444 0.000 1.404 576 I HN 0.512 nan 8.210 nan 0.000 0.522 577 K N 5.390 125.110 120.400 -1.135 0.000 2.258 577 K HA 0.610 4.929 4.320 -0.002 0.000 0.236 577 K C -1.504 174.362 176.600 -1.224 0.000 1.008 577 K CA -0.828 54.758 56.287 -1.169 0.000 0.869 577 K CB 1.956 33.523 32.500 -1.555 0.000 1.171 577 K HN 0.263 nan 8.250 nan 0.000 0.447 578 Y N 0.630 120.749 120.300 -0.301 0.000 2.425 578 Y HA 0.142 4.691 4.550 -0.002 0.000 0.344 578 Y C 0.065 176.113 175.900 0.248 0.000 0.969 578 Y CA -1.054 57.054 58.100 0.015 0.000 1.052 578 Y CB 1.436 39.882 38.460 -0.024 0.000 1.215 578 Y HN 0.677 nan 8.280 nan 0.000 0.451 579 D N 0.023 120.683 120.400 0.434 0.000 2.511 579 D HA 0.133 4.771 4.640 -0.002 0.000 0.276 579 D C 0.569 176.962 176.300 0.155 0.000 1.220 579 D CA -0.428 53.724 54.000 0.252 0.000 1.077 579 D CB 0.476 41.345 40.800 0.115 0.000 1.126 579 D HN 0.634 nan 8.370 nan 0.000 0.583 580 E N -0.861 119.389 120.200 0.083 0.000 2.118 580 E HA -0.159 4.190 4.350 -0.002 0.000 0.195 580 E C 1.320 177.950 176.600 0.050 0.000 0.992 580 E CA 0.972 57.403 56.400 0.051 0.000 0.804 580 E CB -0.133 29.581 29.700 0.023 0.000 0.741 580 E HN 0.365 nan 8.360 nan 0.000 0.458 581 N N -0.343 118.393 118.700 0.060 0.000 2.494 581 N HA -0.043 4.695 4.740 -0.002 0.000 0.182 581 N C 1.133 176.688 175.510 0.074 0.000 1.076 581 N CA 1.062 54.146 53.050 0.055 0.000 0.908 581 N CB 0.775 39.293 38.487 0.051 0.000 0.967 581 N HN 0.301 nan 8.380 nan 0.000 0.449 582 G N 0.783 109.653 108.800 0.116 0.000 2.136 582 G HA2 -0.240 3.718 3.960 -0.002 0.000 0.242 582 G HA3 -0.240 3.718 3.960 -0.002 0.000 0.242 582 G C -0.282 174.774 174.900 0.260 0.000 0.989 582 G CA -0.389 44.798 45.100 0.146 0.000 0.682 582 G HN 0.259 nan 8.290 nan 0.000 0.522 583 N N 1.956 120.796 118.700 0.234 0.000 2.472 583 N HA 0.407 5.145 4.740 -0.002 0.000 0.277 583 N C -2.263 173.377 175.510 0.217 0.000 1.081 583 N CA -1.109 52.067 53.050 0.211 0.000 0.973 583 N CB 1.576 40.148 38.487 0.141 0.000 1.105 583 N HN 0.204 nan 8.380 nan 0.000 0.470 584 P HA 0.154 nan 4.420 nan 0.000 0.271 584 P C -0.444 176.804 177.300 -0.087 0.000 1.218 584 P CA -0.134 62.803 63.100 -0.272 0.000 0.780 584 P CB 0.542 32.089 31.700 -0.254 0.000 0.901 585 W N -0.262 120.786 121.300 -0.420 0.000 3.217 585 W HA 0.398 5.057 4.660 -0.002 0.000 0.323 585 W C -1.480 174.837 176.519 -0.337 0.000 1.216 585 W CA -1.038 56.069 57.345 -0.396 0.000 1.194 585 W CB 0.307 29.329 29.460 -0.730 0.000 1.397 585 W HN 0.118 nan 8.180 nan 0.000 0.537 586 S N 1.780 117.472 115.700 -0.013 0.000 2.505 586 S HA 0.573 5.042 4.470 -0.002 0.000 0.276 586 S C 0.123 174.763 174.600 0.066 0.000 1.274 586 S CA -0.174 58.012 58.200 -0.024 0.000 1.053 586 S CB 0.871 64.146 63.200 0.125 0.000 0.919 586 S HN 0.620 nan 8.310 nan 0.000 0.490 587 A N 3.057 125.786 122.820 -0.152 0.000 2.350 587 A HA 0.809 5.128 4.320 -0.002 0.000 0.324 587 A C -0.618 177.149 177.584 0.305 0.000 1.118 587 A CA -0.837 51.145 52.037 -0.092 0.000 0.783 587 A CB 0.654 19.249 19.000 -0.675 0.000 1.236 587 A HN 0.808 nan 8.150 nan 0.000 0.457 588 Y N 0.285 120.868 120.300 0.471 0.000 2.782 588 Y HA 0.784 5.332 4.550 -0.002 0.000 0.329 588 Y C 0.739 176.989 175.900 0.584 0.000 1.192 588 Y CA -1.537 56.847 58.100 0.472 0.000 1.216 588 Y CB -0.121 38.453 38.460 0.190 0.000 1.447 588 Y HN 0.754 nan 8.280 nan 0.000 0.616 589 G N -0.388 108.738 108.800 0.544 0.000 2.335 589 G HA2 0.409 4.368 3.960 -0.002 0.000 0.268 589 G HA3 0.409 4.368 3.960 -0.002 0.000 0.268 589 G C 0.739 175.985 174.900 0.577 0.000 1.228 589 G CA 0.165 45.512 45.100 0.412 0.000 0.968 589 G HN 1.861 nan 8.290 nan 0.000 0.459 590 G N 2.330 111.440 108.800 0.516 0.000 2.211 590 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.201 590 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.201 590 G C 0.681 175.761 174.900 0.300 0.000 0.997 590 G CA 0.415 45.748 45.100 0.389 0.000 0.652 590 G HN 0.581 nan 8.290 nan 0.000 0.500 591 D N -0.212 120.354 120.400 0.276 0.000 2.348 591 D HA 0.213 4.852 4.640 -0.002 0.000 0.211 591 D C 1.281 177.506 176.300 -0.126 0.000 0.998 591 D CA 0.262 54.285 54.000 0.037 0.000 0.873 591 D CB -0.042 40.697 40.800 -0.101 0.000 0.925 591 D HN 0.424 nan 8.370 nan 0.000 0.524 592 F N -0.147 119.908 119.950 0.176 0.000 2.641 592 F HA 0.286 4.812 4.527 -0.002 0.000 0.302 592 F C 1.846 177.727 175.800 0.136 0.000 1.098 592 F CA -0.048 58.027 58.000 0.125 0.000 1.318 592 F CB 0.722 39.798 39.000 0.126 0.000 1.035 592 F HN -0.022 nan 8.300 nan 0.000 0.551 593 G N 0.194 109.153 108.800 0.265 0.000 2.176 593 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.253 593 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.253 593 G C -0.084 174.950 174.900 0.224 0.000 0.979 593 G CA 0.111 45.334 45.100 0.206 0.000 0.641 593 G HN 0.430 nan 8.290 nan 0.000 0.530 594 D N 0.546 121.121 120.400 0.292 0.000 2.425 594 D HA 0.466 5.105 4.640 -0.002 0.000 0.247 594 D C -0.012 176.416 176.300 0.214 0.000 1.147 594 D CA 1.010 55.169 54.000 0.266 0.000 0.879 594 D CB 1.614 42.611 40.800 0.328 0.000 1.179 594 D HN 0.301 nan 8.370 nan 0.000 0.456 595 T N 1.544 116.196 114.554 0.164 0.000 3.041 595 T HA 0.382 4.731 4.350 -0.002 0.000 0.321 595 T C -2.750 172.002 174.700 0.087 0.000 1.184 595 T CA -1.151 61.023 62.100 0.122 0.000 1.050 595 T CB 1.400 70.336 68.868 0.114 0.000 1.159 595 T HN 0.401 nan 8.240 nan 0.000 0.469 596 P HA 0.434 nan 4.420 nan 0.000 0.275 596 P C -1.116 176.210 177.300 0.042 0.000 1.228 596 P CA -0.398 62.727 63.100 0.041 0.000 0.786 596 P CB 0.530 32.230 31.700 0.000 0.000 0.927 597 N N -0.851 117.888 118.700 0.065 0.000 2.357 597 N HA 0.319 5.058 4.740 -0.002 0.000 0.284 597 N C -1.363 174.190 175.510 0.072 0.000 1.236 597 N CA -0.881 52.221 53.050 0.087 0.000 0.774 597 N CB 0.898 39.514 38.487 0.214 0.000 1.534 597 N HN 0.067 nan 8.380 nan 0.000 0.478 598 D N 0.221 120.669 120.400 0.079 0.000 3.071 598 D HA 0.176 4.815 4.640 -0.002 0.000 0.259 598 D C 0.446 176.935 176.300 0.314 0.000 1.331 598 D CA -0.419 53.652 54.000 0.118 0.000 0.861 598 D CB 0.093 40.854 40.800 -0.065 0.000 1.059 598 D HN 0.644 nan 8.370 nan 0.000 0.486 599 R N 0.308 120.951 120.500 0.238 0.000 3.517 599 R HA -0.356 3.983 4.340 -0.002 0.000 0.577 599 R C 0.846 177.010 176.300 -0.226 0.000 0.241 599 R CA 1.444 57.599 56.100 0.091 0.000 1.784 599 R CB -1.318 28.960 30.300 -0.037 0.000 0.850 599 R HN 0.314 nan 8.270 nan 0.000 0.625 600 Q N 1.503 120.919 119.800 -0.640 0.000 2.228 600 Q HA 0.105 4.444 4.340 -0.002 0.000 0.211 600 Q C 0.971 176.704 176.000 -0.445 0.000 0.890 600 Q CA 0.573 55.891 55.803 -0.808 0.000 0.953 600 Q CB 0.198 28.298 28.738 -1.062 0.000 1.053 600 Q HN 0.605 nan 8.270 nan 0.000 0.471 601 F N 1.003 120.837 119.950 -0.194 0.000 2.802 601 F HA -0.015 4.511 4.527 -0.002 0.000 0.300 601 F C 1.884 177.676 175.800 -0.014 0.000 1.168 601 F CA 0.352 58.342 58.000 -0.015 0.000 1.433 601 F CB 0.224 39.277 39.000 0.088 0.000 1.115 601 F HN 0.438 nan 8.300 nan 0.000 0.582 602 C N -1.414 117.741 119.300 -0.242 0.000 2.697 602 C HA 0.304 4.763 4.460 -0.002 0.000 0.267 602 C C 0.962 175.810 174.990 -0.237 0.000 1.278 602 C CA -0.470 58.282 59.018 -0.444 0.000 1.708 602 C CB -1.485 25.518 27.740 -1.228 0.000 1.860 602 C HN 0.193 nan 8.230 nan 0.000 0.589 603 M N 2.705 122.200 119.600 -0.175 0.000 2.268 603 M HA 0.274 4.753 4.480 -0.002 0.000 0.340 603 M C -0.455 175.740 176.300 -0.175 0.000 1.099 603 M CA 0.304 55.513 55.300 -0.152 0.000 1.053 603 M CB -0.212 32.343 32.600 -0.075 0.000 1.284 603 M HN 0.367 nan 8.290 nan 0.000 0.410 604 N N 0.551 119.120 118.700 -0.218 0.000 2.299 604 N HA 0.204 4.943 4.740 -0.002 0.000 0.246 604 N C 0.409 175.662 175.510 -0.428 0.000 1.254 604 N CA -0.511 52.363 53.050 -0.293 0.000 0.879 604 N CB 1.160 39.529 38.487 -0.198 0.000 1.214 604 N HN 0.594 nan 8.380 nan 0.000 0.510 605 G N -0.036 108.459 108.800 -0.509 0.000 2.448 605 G HA2 0.328 4.287 3.960 -0.002 0.000 0.285 605 G HA3 0.328 4.287 3.960 -0.002 0.000 0.285 605 G C 0.710 175.088 174.900 -0.869 0.000 1.176 605 G CA -0.529 44.184 45.100 -0.644 0.000 0.852 605 G HN 0.132 nan 8.290 nan 0.000 0.530 606 L N 0.375 121.153 121.223 -0.741 0.000 2.313 606 L HA 0.100 4.439 4.340 -0.002 0.000 0.214 606 L C 1.011 177.410 176.870 -0.785 0.000 1.119 606 L CA 0.435 54.869 54.840 -0.677 0.000 0.809 606 L CB -0.281 41.526 42.059 -0.419 0.000 0.933 606 L HN 0.420 nan 8.230 nan 0.000 0.449 607 V N -4.830 114.533 119.914 -0.919 0.000 2.864 607 V HA 0.460 4.578 4.120 -0.002 0.000 0.314 607 V C -0.103 175.727 176.094 -0.440 0.000 1.073 607 V CA -1.314 60.624 62.300 -0.604 0.000 0.956 607 V CB 1.462 32.869 31.823 -0.693 0.000 1.023 607 V HN -0.135 nan 8.190 nan 0.000 0.435 608 F N 1.572 121.525 119.950 0.006 0.000 2.480 608 F HA 0.496 5.021 4.527 -0.002 0.000 0.319 608 F C 1.979 177.727 175.800 -0.087 0.000 1.230 608 F CA 0.667 58.682 58.000 0.024 0.000 1.285 608 F CB 0.637 39.632 39.000 -0.009 0.000 1.208 608 F HN 0.771 nan 8.300 nan 0.000 0.579 609 A N 0.754 123.676 122.820 0.169 0.000 2.032 609 A HA -0.222 4.096 4.320 -0.002 0.000 0.221 609 A C 1.672 179.238 177.584 -0.031 0.000 1.165 609 A CA 1.901 53.977 52.037 0.065 0.000 0.645 609 A CB -0.935 18.127 19.000 0.104 0.000 0.807 609 A HN 0.794 nan 8.150 nan 0.000 0.453 610 D N -2.798 117.599 120.400 -0.004 0.000 2.328 610 D HA 0.108 4.747 4.640 -0.002 0.000 0.226 610 D C 0.637 176.930 176.300 -0.011 0.000 1.066 610 D CA 0.016 53.985 54.000 -0.051 0.000 0.861 610 D CB -0.150 40.617 40.800 -0.055 0.000 0.912 610 D HN 0.193 nan 8.370 nan 0.000 0.521 611 R N -1.565 118.935 120.500 0.000 0.000 3.892 611 R HA -0.122 4.217 4.340 -0.002 0.000 0.441 611 R C -0.397 175.918 176.300 0.025 0.000 1.052 611 R CA 1.073 57.168 56.100 -0.010 0.000 1.190 611 R CB -3.178 27.152 30.300 0.050 0.000 1.808 611 R HN 0.228 nan 8.270 nan 0.000 0.538 612 T N 2.430 117.036 114.554 0.086 0.000 2.834 612 T HA 0.321 4.669 4.350 -0.002 0.000 0.298 612 T C -2.315 172.514 174.700 0.215 0.000 0.966 612 T CA -0.836 61.341 62.100 0.128 0.000 1.141 612 T CB 1.021 69.937 68.868 0.079 0.000 0.905 612 T HN -0.083 nan 8.240 nan 0.000 0.535 613 P HA 0.094 nan 4.420 nan 0.000 0.268 613 P C 0.122 177.486 177.300 0.106 0.000 1.205 613 P CA -0.161 62.970 63.100 0.051 0.000 0.771 613 P CB 0.357 32.079 31.700 0.037 0.000 0.858 614 H N 3.388 122.310 119.070 -0.246 0.000 2.607 614 H HA 0.056 4.611 4.556 -0.002 0.000 0.367 614 H C -1.278 173.972 175.328 -0.130 0.000 1.181 614 H CA -1.560 54.330 56.048 -0.263 0.000 1.402 614 H CB 0.248 29.799 29.762 -0.353 0.000 1.474 614 H HN 0.346 nan 8.280 nan 0.000 0.596 615 P HA -0.154 nan 4.420 nan 0.000 0.219 615 P C 1.150 178.458 177.300 0.013 0.000 1.146 615 P CA 1.401 64.496 63.100 -0.008 0.000 0.808 615 P CB 0.076 31.770 31.700 -0.011 0.000 0.779 616 A N -0.640 122.192 122.820 0.020 0.000 2.019 616 A HA -0.175 4.144 4.320 -0.002 0.000 0.219 616 A C 2.058 179.595 177.584 -0.080 0.000 1.164 616 A CA 1.163 53.171 52.037 -0.049 0.000 0.644 616 A CB -1.557 17.386 19.000 -0.096 0.000 0.805 616 A HN 0.156 nan 8.150 nan 0.000 0.449 617 L N -0.492 120.709 121.223 -0.037 0.000 2.079 617 L HA -0.141 4.198 4.340 -0.002 0.000 0.210 617 L C 2.553 179.469 176.870 0.076 0.000 1.081 617 L CA 2.711 57.564 54.840 0.022 0.000 0.752 617 L CB -0.976 41.105 42.059 0.036 0.000 0.896 617 L HN 0.393 nan 8.230 nan 0.000 0.433 618 T N -1.721 112.884 114.554 0.085 0.000 2.867 618 T HA -0.197 4.152 4.350 -0.002 0.000 0.268 618 T C 1.812 176.618 174.700 0.177 0.000 1.057 618 T CA 1.411 63.616 62.100 0.174 0.000 1.136 618 T CB -0.109 68.848 68.868 0.149 0.000 0.874 618 T HN 0.467 nan 8.240 nan 0.000 0.466 619 E N 0.774 121.019 120.200 0.076 0.000 2.077 619 E HA 0.020 4.369 4.350 -0.002 0.000 0.193 619 E C 2.169 178.772 176.600 0.005 0.000 0.989 619 E CA 1.408 57.851 56.400 0.071 0.000 0.800 619 E CB -0.600 29.112 29.700 0.021 0.000 0.746 619 E HN 0.542 nan 8.360 nan 0.000 0.452 620 A N 0.989 123.698 122.820 -0.185 0.000 1.877 620 A HA -0.226 4.093 4.320 -0.002 0.000 0.216 620 A C 2.174 179.637 177.584 -0.201 0.000 1.186 620 A CA 1.926 53.804 52.037 -0.265 0.000 0.620 620 A CB -0.647 18.186 19.000 -0.279 0.000 0.822 620 A HN 0.268 nan 8.150 nan 0.000 0.443 621 K N -1.222 119.126 120.400 -0.086 0.000 2.032 621 K HA -0.291 4.028 4.320 -0.002 0.000 0.209 621 K C 2.068 178.535 176.600 -0.221 0.000 1.048 621 K CA 2.049 58.291 56.287 -0.076 0.000 0.927 621 K CB -0.361 32.248 32.500 0.181 0.000 0.712 621 K HN 0.649 nan 8.250 nan 0.000 0.441 622 H N 0.346 119.207 119.070 -0.349 0.000 2.326 622 H HA -0.033 4.522 4.556 -0.002 0.000 0.301 622 H C 1.969 177.012 175.328 -0.475 0.000 1.081 622 H CA 1.829 57.479 56.048 -0.664 0.000 1.334 622 H CB 0.086 29.504 29.762 -0.573 0.000 1.385 622 H HN 0.238 nan 8.280 nan 0.000 0.504 623 Q N 0.170 119.707 119.800 -0.438 0.000 2.224 623 Q HA -0.076 4.263 4.340 -0.002 0.000 0.203 623 Q C 1.546 176.976 176.000 -0.950 0.000 0.970 623 Q CA 1.159 56.627 55.803 -0.557 0.000 0.865 623 Q CB 0.094 28.687 28.738 -0.241 0.000 0.922 623 Q HN 0.703 nan 8.270 nan 0.000 0.445 624 Q N 0.103 119.315 119.800 -0.981 0.000 2.280 624 Q HA 0.086 4.424 4.340 -0.002 0.000 0.202 624 Q C -0.163 175.254 176.000 -0.972 0.000 0.903 624 Q CA -0.230 54.826 55.803 -1.245 0.000 0.948 624 Q CB 0.414 28.486 28.738 -1.109 0.000 1.058 624 Q HN 0.372 nan 8.270 nan 0.000 0.493 625 Q N -0.415 118.969 119.800 -0.694 0.000 2.369 625 Q HA -0.072 4.267 4.340 -0.002 0.000 0.295 625 Q C -0.109 175.538 176.000 -0.588 0.000 1.075 625 Q CA 0.496 56.026 55.803 -0.454 0.000 0.941 625 Q CB 0.427 28.996 28.738 -0.283 0.000 1.260 625 Q HN 0.312 nan 8.270 nan 0.000 0.417 626 F N 0.266 119.998 119.950 -0.364 0.000 2.727 626 F HA 0.209 4.735 4.527 -0.002 0.000 0.302 626 F C -0.074 175.211 175.800 -0.857 0.000 1.097 626 F CA -0.032 57.526 58.000 -0.736 0.000 1.330 626 F CB 0.574 38.823 39.000 -1.251 0.000 1.084 626 F HN 0.326 nan 8.300 nan 0.000 0.578 627 F N 0.532 120.415 119.950 -0.112 0.000 2.482 627 F HA 0.470 4.996 4.527 -0.002 0.000 0.331 627 F C -0.012 175.489 175.800 -0.500 0.000 1.115 627 F CA -1.065 56.767 58.000 -0.280 0.000 0.955 627 F CB 1.193 40.050 39.000 -0.237 0.000 1.136 627 F HN -0.316 nan 8.300 nan 0.000 0.452 628 Q N 3.084 122.664 119.800 -0.366 0.000 2.266 628 Q HA 0.554 4.893 4.340 -0.002 0.000 0.261 628 Q C -1.340 174.410 176.000 -0.417 0.000 0.985 628 Q CA -0.644 54.988 55.803 -0.285 0.000 0.873 628 Q CB 2.748 31.424 28.738 -0.104 0.000 1.306 628 Q HN 0.531 nan 8.270 nan 0.000 0.447 629 F N 0.489 120.569 119.950 0.215 0.000 2.551 629 F HA 0.569 5.095 4.527 -0.002 0.000 0.316 629 F C 0.427 176.465 175.800 0.395 0.000 1.089 629 F CA -0.805 57.401 58.000 0.344 0.000 0.915 629 F CB 1.882 41.199 39.000 0.527 0.000 1.186 629 F HN 0.104 nan 8.300 nan 0.000 0.456 630 R N 1.944 122.720 120.500 0.460 0.000 2.744 630 R HA 0.715 5.054 4.340 -0.002 0.000 0.279 630 R C -1.914 174.396 176.300 0.017 0.000 0.977 630 R CA -1.299 54.989 56.100 0.314 0.000 0.906 630 R CB 3.058 33.456 30.300 0.163 0.000 1.197 630 R HN 0.571 nan 8.270 nan 0.000 0.463 631 L N 0.614 121.710 121.223 -0.212 0.000 2.341 631 L HA 0.486 4.825 4.340 -0.002 0.000 0.278 631 L C -0.904 175.802 176.870 -0.273 0.000 1.005 631 L CA 0.032 54.546 54.840 -0.544 0.000 0.818 631 L CB 2.047 43.329 42.059 -1.295 0.000 1.259 631 L HN 0.589 nan 8.230 nan 0.000 0.418 632 S N 3.857 119.423 115.700 -0.223 0.000 2.775 632 S HA 0.683 5.151 4.470 -0.002 0.000 0.277 632 S C 0.284 174.796 174.600 -0.147 0.000 1.156 632 S CA 0.251 58.365 58.200 -0.143 0.000 1.081 632 S CB 0.268 63.417 63.200 -0.085 0.000 1.054 632 S HN 1.532 nan 8.310 nan 0.000 0.482 633 G N 4.764 113.478 108.800 -0.144 0.000 2.601 633 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.306 633 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.306 633 G C 0.495 175.294 174.900 -0.168 0.000 1.172 633 G CA 0.615 45.636 45.100 -0.131 0.000 0.966 633 G HN 0.644 nan 8.290 nan 0.000 0.542 634 Q N 1.180 120.886 119.800 -0.158 0.000 2.356 634 Q HA 0.182 4.520 4.340 -0.002 0.000 0.205 634 Q C 0.669 176.540 176.000 -0.215 0.000 0.901 634 Q CA 1.023 56.711 55.803 -0.191 0.000 0.938 634 Q CB 0.597 29.241 28.738 -0.157 0.000 1.081 634 Q HN 0.581 nan 8.270 nan 0.000 0.517 635 T N 1.676 116.118 114.554 -0.187 0.000 2.744 635 T HA 0.494 4.843 4.350 -0.002 0.000 0.291 635 T C 0.347 174.932 174.700 -0.192 0.000 0.957 635 T CA -0.304 61.700 62.100 -0.160 0.000 1.002 635 T CB 1.015 69.820 68.868 -0.105 0.000 0.919 635 T HN -0.010 nan 8.240 nan 0.000 0.468 636 I N 2.892 123.364 120.570 -0.163 0.000 2.342 636 I HA 0.252 4.421 4.170 -0.002 0.000 0.291 636 I C 0.707 176.828 176.117 0.007 0.000 1.010 636 I CA -0.438 60.795 61.300 -0.113 0.000 1.308 636 I CB 0.968 38.942 38.000 -0.044 0.000 1.400 636 I HN 0.583 nan 8.210 nan 0.000 0.488 637 E N 6.757 126.985 120.200 0.046 0.000 2.109 637 E HA 0.380 4.729 4.350 -0.002 0.000 0.278 637 E C -1.423 175.254 176.600 0.128 0.000 0.954 637 E CA -0.593 55.851 56.400 0.073 0.000 0.779 637 E CB 1.355 31.084 29.700 0.047 0.000 1.093 637 E HN 0.365 nan 8.360 nan 0.000 0.401 638 V N 4.373 124.347 119.914 0.100 0.000 2.370 638 V HA 0.288 4.407 4.120 -0.002 0.000 0.279 638 V C 0.034 176.142 176.094 0.025 0.000 1.029 638 V CA -0.525 61.790 62.300 0.026 0.000 0.870 638 V CB 1.578 33.441 31.823 0.067 0.000 0.984 638 V HN 0.681 nan 8.190 nan 0.000 0.451 639 T N 3.374 117.909 114.554 -0.032 0.000 2.797 639 T HA 0.332 4.680 4.350 -0.002 0.000 0.279 639 T C 0.021 174.731 174.700 0.017 0.000 0.991 639 T CA -0.272 61.830 62.100 0.003 0.000 0.979 639 T CB 1.535 70.387 68.868 -0.027 0.000 0.943 639 T HN 0.681 nan 8.240 nan 0.000 0.444 640 S N 1.841 117.565 115.700 0.041 0.000 2.513 640 S HA 0.190 4.659 4.470 -0.002 0.000 0.276 640 S C 0.837 175.320 174.600 -0.196 0.000 1.254 640 S CA -0.552 57.587 58.200 -0.102 0.000 1.053 640 S CB 0.519 63.744 63.200 0.041 0.000 0.958 640 S HN 0.710 nan 8.310 nan 0.000 0.491 641 E N 3.042 123.030 120.200 -0.353 0.000 2.481 641 E HA 0.071 4.420 4.350 -0.002 0.000 0.198 641 E C -0.663 175.780 176.600 -0.261 0.000 1.027 641 E CA -0.109 56.126 56.400 -0.275 0.000 0.900 641 E CB 0.233 29.763 29.700 -0.283 0.000 0.993 641 E HN 0.712 nan 8.360 nan 0.000 0.482 642 Y N 0.608 120.788 120.300 -0.200 0.000 2.597 642 Y HA -0.066 4.483 4.550 -0.002 0.000 0.336 642 Y C 1.506 177.228 175.900 -0.296 0.000 1.216 642 Y CA 0.095 58.062 58.100 -0.221 0.000 1.463 642 Y CB 0.675 38.979 38.460 -0.261 0.000 1.303 642 Y HN -0.016 nan 8.280 nan 0.000 0.576 643 L N 1.522 122.581 121.223 -0.273 0.000 2.408 643 L HA 0.043 4.382 4.340 -0.002 0.000 0.215 643 L C 0.647 177.010 176.870 -0.846 0.000 1.081 643 L CA 0.606 55.010 54.840 -0.726 0.000 0.840 643 L CB 0.026 41.342 42.059 -1.238 0.000 1.002 643 L HN 0.651 nan 8.230 nan 0.000 0.468 644 F N -0.736 119.197 119.950 -0.028 0.000 2.577 644 F HA 0.200 4.726 4.527 -0.002 0.000 0.282 644 F C 1.192 176.944 175.800 -0.081 0.000 0.957 644 F CA -0.823 57.138 58.000 -0.065 0.000 1.168 644 F CB 0.194 39.149 39.000 -0.076 0.000 0.958 644 F HN -0.186 nan 8.300 nan 0.000 0.702 645 R N 1.461 121.976 120.500 0.025 0.000 2.410 645 R HA 0.310 4.649 4.340 -0.002 0.000 0.288 645 R C -0.560 175.675 176.300 -0.108 0.000 1.051 645 R CA -0.440 55.620 56.100 -0.066 0.000 1.021 645 R CB 0.402 30.558 30.300 -0.241 0.000 1.032 645 R HN 0.178 nan 8.270 nan 0.000 0.481 646 H N 0.832 119.881 119.070 -0.034 0.000 2.546 646 H HA 0.029 4.584 4.556 -0.002 0.000 0.365 646 H C 0.266 175.610 175.328 0.026 0.000 1.220 646 H CA 0.125 56.188 56.048 0.024 0.000 1.386 646 H CB 1.498 31.283 29.762 0.037 0.000 1.510 646 H HN 0.792 nan 8.280 nan 0.000 0.591 647 S N 0.951 116.799 115.700 0.246 0.000 4.175 647 S HA -0.057 4.411 4.470 -0.002 0.000 0.193 647 S C 0.452 175.154 174.600 0.169 0.000 1.373 647 S CA -0.649 57.709 58.200 0.264 0.000 0.908 647 S CB -0.714 62.714 63.200 0.381 0.000 1.547 647 S HN 0.607 nan 8.310 nan 0.000 0.440 648 D N 0.902 121.373 120.400 0.119 0.000 2.328 648 D HA 0.032 4.671 4.640 -0.002 0.000 0.221 648 D C 0.338 176.678 176.300 0.065 0.000 1.072 648 D CA -0.164 53.883 54.000 0.079 0.000 0.850 648 D CB -0.328 40.503 40.800 0.052 0.000 0.922 648 D HN 0.513 nan 8.370 nan 0.000 0.516 649 N N 0.093 118.844 118.700 0.087 0.000 2.646 649 N HA 0.153 4.892 4.740 -0.002 0.000 0.296 649 N C -1.557 174.022 175.510 0.115 0.000 1.886 649 N CA -0.204 52.895 53.050 0.080 0.000 0.855 649 N CB 0.364 38.887 38.487 0.060 0.000 1.336 649 N HN -0.073 nan 8.380 nan 0.000 0.496 650 E N -0.071 120.194 120.200 0.109 0.000 2.308 650 E HA 0.512 4.861 4.350 -0.002 0.000 0.275 650 E C -1.816 174.833 176.600 0.083 0.000 0.890 650 E CA -0.661 55.800 56.400 0.102 0.000 0.754 650 E CB 2.403 32.143 29.700 0.066 0.000 1.207 650 E HN 0.189 nan 8.360 nan 0.000 0.426 651 L N 3.080 124.371 121.223 0.113 0.000 2.436 651 L HA 0.572 4.911 4.340 -0.002 0.000 0.268 651 L C -1.892 175.105 176.870 0.211 0.000 0.974 651 L CA -0.793 54.135 54.840 0.146 0.000 0.826 651 L CB 1.651 43.819 42.059 0.182 0.000 1.291 651 L HN 0.628 nan 8.230 nan 0.000 0.406 652 L N 5.200 126.533 121.223 0.184 0.000 2.260 652 L HA 0.429 4.768 4.340 -0.002 0.000 0.289 652 L C -0.614 176.411 176.870 0.258 0.000 1.057 652 L CA 0.166 55.153 54.840 0.245 0.000 0.811 652 L CB 0.121 42.323 42.059 0.239 0.000 1.184 652 L HN 0.576 nan 8.230 nan 0.000 0.429 653 H N 6.083 125.228 119.070 0.124 0.000 2.517 653 H HA 0.256 4.811 4.556 -0.002 0.000 0.317 653 H C -1.056 174.361 175.328 0.149 0.000 1.080 653 H CA -0.526 55.557 56.048 0.058 0.000 1.301 653 H CB 0.757 30.522 29.762 0.005 0.000 1.425 653 H HN 0.685 nan 8.280 nan 0.000 0.471 654 W N 3.780 125.154 121.300 0.123 0.000 2.706 654 W HA 0.570 5.229 4.660 -0.002 0.000 0.346 654 W C -1.544 175.031 176.519 0.093 0.000 1.071 654 W CA -1.267 56.145 57.345 0.113 0.000 1.206 654 W CB 1.551 31.065 29.460 0.091 0.000 1.413 654 W HN 0.415 nan 8.180 nan 0.000 0.542 655 M N 3.136 122.979 119.600 0.404 0.000 2.322 655 M HA 0.485 4.964 4.480 -0.002 0.000 0.285 655 M C -2.465 174.051 176.300 0.360 0.000 1.119 655 M CA -0.414 55.015 55.300 0.215 0.000 0.953 655 M CB 1.895 34.537 32.600 0.070 0.000 1.701 655 M HN 0.213 nan 8.290 nan 0.000 0.479 656 V N 4.045 124.164 119.914 0.343 0.000 2.417 656 V HA 1.006 5.125 4.120 -0.002 0.000 0.291 656 V C -0.284 175.922 176.094 0.188 0.000 1.024 656 V CA -0.291 62.182 62.300 0.289 0.000 0.861 656 V CB 1.152 33.154 31.823 0.298 0.000 0.985 656 V HN 1.027 nan 8.190 nan 0.000 0.436 657 A N 4.541 127.477 122.820 0.193 0.000 2.414 657 A HA 0.872 5.191 4.320 -0.002 0.000 0.306 657 A C -1.369 176.329 177.584 0.190 0.000 1.054 657 A CA -0.628 51.494 52.037 0.141 0.000 0.724 657 A CB 1.658 20.704 19.000 0.077 0.000 1.267 657 A HN 0.799 nan 8.150 nan 0.000 0.418 658 L N 1.758 123.063 121.223 0.136 0.000 2.262 658 L HA 0.481 4.820 4.340 -0.002 0.000 0.288 658 L C -0.520 176.441 176.870 0.153 0.000 1.035 658 L CA 0.270 55.200 54.840 0.150 0.000 0.820 658 L CB 0.203 42.319 42.059 0.095 0.000 1.204 658 L HN 0.764 nan 8.230 nan 0.000 0.424 659 D N 4.924 125.476 120.400 0.254 0.000 2.720 659 D HA -0.209 4.430 4.640 -0.002 0.000 0.229 659 D C 1.206 177.549 176.300 0.071 0.000 1.198 659 D CA 1.547 55.697 54.000 0.250 0.000 0.639 659 D CB -1.000 39.918 40.800 0.196 0.000 1.003 659 D HN 1.143 nan 8.370 nan 0.000 0.411 660 G N -0.738 108.066 108.800 0.007 0.000 2.176 660 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.253 660 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.253 660 G C 0.275 175.098 174.900 -0.127 0.000 0.979 660 G CA 0.418 45.415 45.100 -0.173 0.000 0.641 660 G HN 0.484 nan 8.290 nan 0.000 0.530 661 K N 2.245 122.620 120.400 -0.041 0.000 2.264 661 K HA 0.431 4.750 4.320 -0.002 0.000 0.277 661 K C -2.396 174.199 176.600 -0.009 0.000 1.067 661 K CA -1.835 54.433 56.287 -0.032 0.000 0.900 661 K CB 1.721 34.217 32.500 -0.006 0.000 1.124 661 K HN 0.097 nan 8.250 nan 0.000 0.469 662 P HA -0.040 nan 4.420 nan 0.000 0.263 662 P C -0.110 177.195 177.300 0.010 0.000 1.195 662 P CA 0.308 63.400 63.100 -0.013 0.000 0.762 662 P CB 0.760 32.433 31.700 -0.045 0.000 0.799 663 L N 1.724 122.973 121.223 0.042 0.000 2.577 663 L HA 0.413 4.752 4.340 -0.002 0.000 0.225 663 L C 1.033 177.940 176.870 0.062 0.000 1.053 663 L CA 0.387 55.259 54.840 0.053 0.000 0.866 663 L CB 0.168 42.272 42.059 0.075 0.000 1.132 663 L HN 0.388 nan 8.230 nan 0.000 0.486 664 A N -0.145 122.725 122.820 0.083 0.000 2.604 664 A HA 0.683 5.002 4.320 -0.002 0.000 0.295 664 A C -0.874 176.647 177.584 -0.105 0.000 1.067 664 A CA -0.179 51.901 52.037 0.072 0.000 0.683 664 A CB 1.676 20.838 19.000 0.271 0.000 1.281 664 A HN 0.058 nan 8.150 nan 0.000 0.407 665 S N -0.124 115.305 115.700 -0.452 0.000 2.570 665 S HA 0.957 5.426 4.470 -0.002 0.000 0.270 665 S C -0.224 173.618 174.600 -1.264 0.000 1.149 665 S CA -0.086 57.541 58.200 -0.956 0.000 0.837 665 S CB 1.383 64.306 63.200 -0.462 0.000 1.124 665 S HN 2.477 nan 8.310 nan 0.000 0.465 666 G N 0.135 107.877 108.800 -1.764 0.000 2.619 666 G HA2 0.724 4.682 3.960 -0.002 0.000 0.305 666 G HA3 0.724 4.682 3.960 -0.002 0.000 0.305 666 G C -2.109 172.333 174.900 -0.763 0.000 1.330 666 G CA -0.703 43.783 45.100 -1.025 0.000 0.789 666 G HN 1.127 nan 8.290 nan 0.000 0.487 667 E N -1.418 118.592 120.200 -0.317 0.000 2.321 667 E HA 0.608 4.957 4.350 -0.002 0.000 0.278 667 E C -1.823 174.777 176.600 -0.001 0.000 0.902 667 E CA -0.920 55.339 56.400 -0.234 0.000 0.758 667 E CB 2.513 31.896 29.700 -0.529 0.000 1.213 667 E HN 0.397 nan 8.360 nan 0.000 0.426 668 V N 2.608 122.572 119.914 0.083 0.000 2.588 668 V HA 0.420 4.539 4.120 -0.002 0.000 0.304 668 V C -2.404 173.738 176.094 0.080 0.000 1.042 668 V CA -2.180 60.182 62.300 0.103 0.000 0.877 668 V CB 1.816 33.730 31.823 0.151 0.000 0.996 668 V HN 0.685 nan 8.190 nan 0.000 0.425 669 P HA 0.216 nan 4.420 nan 0.000 0.268 669 P C -0.624 176.716 177.300 0.067 0.000 1.204 669 P CA -0.007 63.130 63.100 0.060 0.000 0.768 669 P CB 0.483 32.212 31.700 0.050 0.000 0.842 670 L N 3.498 124.757 121.223 0.061 0.000 2.305 670 L HA 0.291 4.630 4.340 -0.002 0.000 0.281 670 L C 0.626 177.544 176.870 0.080 0.000 1.085 670 L CA 0.264 55.134 54.840 0.051 0.000 0.813 670 L CB 0.601 42.643 42.059 -0.028 0.000 1.157 670 L HN 0.321 nan 8.230 nan 0.000 0.436 671 D N 3.200 123.658 120.400 0.097 0.000 2.656 671 D HA 0.262 4.901 4.640 -0.002 0.000 0.303 671 D C -1.152 175.239 176.300 0.151 0.000 1.199 671 D CA -0.145 53.927 54.000 0.120 0.000 0.797 671 D CB 0.878 41.732 40.800 0.090 0.000 1.170 671 D HN 0.028 nan 8.370 nan 0.000 0.509 672 V N 1.359 121.390 119.914 0.194 0.000 2.417 672 V HA 0.773 4.892 4.120 -0.002 0.000 0.291 672 V C 0.934 177.130 176.094 0.170 0.000 1.024 672 V CA -1.204 61.214 62.300 0.197 0.000 0.861 672 V CB 1.160 33.143 31.823 0.267 0.000 0.985 672 V HN 0.479 nan 8.190 nan 0.000 0.436 673 A N 7.491 130.362 122.820 0.085 0.000 2.406 673 A HA 0.591 4.910 4.320 -0.002 0.000 0.243 673 A C -2.167 175.291 177.584 -0.210 0.000 1.082 673 A CA -1.240 50.673 52.037 -0.205 0.000 0.786 673 A CB -0.252 18.699 19.000 -0.082 0.000 1.029 673 A HN 0.680 nan 8.150 nan 0.000 0.495 674 P HA 0.012 nan 4.420 nan 0.000 0.261 674 P C -0.423 176.798 177.300 -0.133 0.000 1.183 674 P CA 0.605 63.593 63.100 -0.187 0.000 0.761 674 P CB 0.674 32.241 31.700 -0.222 0.000 0.785 675 Q N -0.885 118.856 119.800 -0.100 0.000 2.305 675 Q HA -0.160 4.179 4.340 -0.002 0.000 0.203 675 Q C 0.777 176.750 176.000 -0.045 0.000 0.663 675 Q CA 1.825 57.578 55.803 -0.082 0.000 1.389 675 Q CB -2.429 26.254 28.738 -0.092 0.000 1.566 675 Q HN 0.762 nan 8.270 nan 0.000 0.755 676 G N 0.166 108.951 108.800 -0.026 0.000 2.537 676 G HA2 0.565 4.524 3.960 -0.002 0.000 0.297 676 G HA3 0.565 4.524 3.960 -0.002 0.000 0.297 676 G C -0.261 174.658 174.900 0.032 0.000 1.310 676 G CA -0.495 44.609 45.100 0.006 0.000 1.027 676 G HN -0.008 nan 8.290 nan 0.000 0.505 677 K N -0.748 119.677 120.400 0.042 0.000 2.435 677 K HA 0.482 4.800 4.320 -0.002 0.000 0.251 677 K C -1.009 175.627 176.600 0.060 0.000 0.954 677 K CA -0.629 55.687 56.287 0.049 0.000 0.820 677 K CB 2.616 35.135 32.500 0.032 0.000 1.292 677 K HN 0.517 nan 8.250 nan 0.000 0.436 678 Q N 2.535 122.374 119.800 0.065 0.000 2.305 678 Q HA 0.384 4.723 4.340 -0.002 0.000 0.271 678 Q C -1.722 174.310 176.000 0.053 0.000 1.046 678 Q CA -0.664 55.177 55.803 0.063 0.000 0.798 678 Q CB 1.492 30.277 28.738 0.080 0.000 1.286 678 Q HN 0.528 nan 8.270 nan 0.000 0.435 679 L N 5.232 126.477 121.223 0.037 0.000 2.265 679 L HA 0.522 4.860 4.340 -0.002 0.000 0.289 679 L C -0.521 176.356 176.870 0.012 0.000 1.033 679 L CA -0.499 54.352 54.840 0.019 0.000 0.814 679 L CB 1.153 43.214 42.059 0.004 0.000 1.203 679 L HN 0.565 nan 8.230 nan 0.000 0.423 680 I N 2.902 123.474 120.570 0.003 0.000 2.339 680 I HA 0.209 4.377 4.170 -0.002 0.000 0.290 680 I C -0.042 176.030 176.117 -0.076 0.000 0.994 680 I CA -0.479 60.813 61.300 -0.013 0.000 1.191 680 I CB 1.822 39.834 38.000 0.020 0.000 1.343 680 I HN 0.525 nan 8.210 nan 0.000 0.458 681 E N 7.104 127.258 120.200 -0.077 0.000 2.081 681 E HA 0.367 4.715 4.350 -0.002 0.000 0.281 681 E C -0.916 175.580 176.600 -0.172 0.000 0.986 681 E CA -0.386 55.946 56.400 -0.114 0.000 0.796 681 E CB 0.684 30.341 29.700 -0.072 0.000 1.085 681 E HN 0.424 nan 8.360 nan 0.000 0.398 682 L N 6.928 127.979 121.223 -0.287 0.000 2.453 682 L HA 0.263 4.602 4.340 -0.002 0.000 0.272 682 L C -1.594 175.112 176.870 -0.273 0.000 1.182 682 L CA -1.603 52.963 54.840 -0.457 0.000 0.858 682 L CB 0.157 41.832 42.059 -0.641 0.000 1.120 682 L HN 0.541 nan 8.230 nan 0.000 0.474 683 P HA -0.031 nan 4.420 nan 0.000 0.272 683 P C -0.585 176.672 177.300 -0.072 0.000 1.240 683 P CA -0.511 62.551 63.100 -0.063 0.000 0.791 683 P CB 0.444 32.179 31.700 0.058 0.000 0.978 684 E N 0.947 121.129 120.200 -0.030 0.000 2.614 684 E HA -0.002 4.347 4.350 -0.002 0.000 0.245 684 E C -0.548 176.051 176.600 -0.001 0.000 1.039 684 E CA -0.018 56.367 56.400 -0.024 0.000 0.948 684 E CB -0.292 29.403 29.700 -0.009 0.000 0.937 684 E HN 0.291 nan 8.360 nan 0.000 0.498 685 L N 8.186 129.398 121.223 -0.018 0.000 2.278 685 L HA 0.322 4.661 4.340 -0.002 0.000 0.287 685 L C -1.728 175.154 176.870 0.020 0.000 1.072 685 L CA -2.020 52.830 54.840 0.017 0.000 0.819 685 L CB 0.561 42.618 42.059 -0.004 0.000 1.176 685 L HN 0.471 nan 8.230 nan 0.000 0.435 686 P HA 0.090 nan 4.420 nan 0.000 0.271 686 P C -0.872 176.443 177.300 0.025 0.000 1.216 686 P CA -0.529 62.588 63.100 0.027 0.000 0.771 686 P CB 0.773 32.493 31.700 0.034 0.000 0.864 687 Q N 3.846 123.655 119.800 0.015 0.000 2.274 687 Q HA 0.170 4.509 4.340 -0.002 0.000 0.280 687 Q C -1.586 174.426 176.000 0.019 0.000 1.047 687 Q CA -0.643 55.167 55.803 0.013 0.000 0.907 687 Q CB -0.530 28.211 28.738 0.006 0.000 1.171 687 Q HN 0.413 nan 8.270 nan 0.000 0.381 688 P HA 0.013 nan 4.420 nan 0.000 0.272 688 P C -0.496 176.818 177.300 0.022 0.000 1.230 688 P CA -0.089 63.027 63.100 0.027 0.000 0.788 688 P CB 1.045 32.765 31.700 0.034 0.000 0.949 689 E N -0.020 120.193 120.200 0.023 0.000 2.033 689 E HA -0.035 4.314 4.350 -0.002 0.000 0.189 689 E C 0.998 177.611 176.600 0.022 0.000 0.979 689 E CA 0.662 57.074 56.400 0.020 0.000 0.802 689 E CB -0.173 29.538 29.700 0.018 0.000 0.763 689 E HN 0.416 nan 8.360 nan 0.000 0.449 690 S N -0.028 115.688 115.700 0.027 0.000 2.593 690 S HA 0.396 4.865 4.470 -0.002 0.000 0.269 690 S C -0.107 174.513 174.600 0.034 0.000 1.334 690 S CA -0.417 57.802 58.200 0.031 0.000 1.015 690 S CB 0.819 64.039 63.200 0.034 0.000 0.912 690 S HN 0.254 nan 8.310 nan 0.000 0.541 691 A N 1.714 124.556 122.820 0.037 0.000 2.332 691 A HA 0.724 5.043 4.320 -0.002 0.000 0.258 691 A C 0.814 178.430 177.584 0.052 0.000 1.087 691 A CA 0.321 52.382 52.037 0.039 0.000 0.802 691 A CB -0.506 18.518 19.000 0.040 0.000 1.042 691 A HN 1.830 nan 8.150 nan 0.000 0.489 692 G N -0.634 108.196 108.800 0.050 0.000 2.361 692 G HA2 0.414 4.373 3.960 -0.002 0.000 0.331 692 G HA3 0.414 4.373 3.960 -0.002 0.000 0.331 692 G C -1.063 173.865 174.900 0.046 0.000 1.324 692 G CA -0.275 44.867 45.100 0.069 0.000 0.984 692 G HN 1.115 nan 8.290 nan 0.000 0.586 693 Q N -0.089 119.749 119.800 0.063 0.000 2.296 693 Q HA 0.679 5.018 4.340 -0.002 0.000 0.257 693 Q C -0.002 176.009 176.000 0.018 0.000 0.942 693 Q CA -0.410 55.370 55.803 -0.039 0.000 0.939 693 Q CB 0.977 29.640 28.738 -0.124 0.000 1.198 693 Q HN 0.544 nan 8.270 nan 0.000 0.429 694 L N 4.575 125.760 121.223 -0.065 0.000 2.331 694 L HA 0.360 4.699 4.340 -0.002 0.000 0.278 694 L C -0.697 176.118 176.870 -0.091 0.000 1.106 694 L CA -0.227 54.623 54.840 0.015 0.000 0.824 694 L CB 0.574 42.639 42.059 0.010 0.000 1.142 694 L HN 0.672 nan 8.230 nan 0.000 0.443 695 W N 4.455 125.798 121.300 0.072 0.000 2.656 695 W HA 0.499 5.158 4.660 -0.003 0.000 0.327 695 W C -0.757 175.854 176.519 0.153 0.000 1.041 695 W CA -0.546 56.861 57.345 0.104 0.000 1.229 695 W CB 1.678 31.209 29.460 0.118 0.000 1.397 695 W HN 0.144 nan 8.180 nan 0.000 0.479 696 L N 3.683 125.165 121.223 0.432 0.000 2.272 696 L HA 0.688 5.027 4.340 -0.002 0.000 0.289 696 L C -0.260 176.893 176.870 0.472 0.000 1.032 696 L CA 0.187 55.279 54.840 0.420 0.000 0.810 696 L CB 1.090 43.368 42.059 0.364 0.000 1.205 696 L HN 0.300 nan 8.230 nan 0.000 0.422 697 T N 5.202 119.981 114.554 0.375 0.000 2.797 697 T HA 0.634 4.983 4.350 -0.002 0.000 0.279 697 T C -0.528 174.355 174.700 0.305 0.000 0.991 697 T CA -0.432 61.842 62.100 0.289 0.000 0.979 697 T CB 1.425 70.402 68.868 0.181 0.000 0.943 697 T HN 0.582 nan 8.240 nan 0.000 0.444 698 V N 1.840 121.907 119.914 0.255 0.000 2.715 698 V HA 0.932 5.051 4.120 -0.002 0.000 0.310 698 V C -0.632 175.530 176.094 0.115 0.000 1.054 698 V CA -1.305 61.124 62.300 0.214 0.000 0.928 698 V CB 1.784 33.727 31.823 0.200 0.000 1.007 698 V HN 1.019 nan 8.190 nan 0.000 0.437 699 R N 2.144 122.747 120.500 0.170 0.000 2.584 699 R HA 0.782 5.121 4.340 -0.002 0.000 0.276 699 R C -2.072 174.359 176.300 0.217 0.000 1.046 699 R CA -0.804 55.412 56.100 0.193 0.000 0.906 699 R CB 2.071 32.457 30.300 0.143 0.000 1.215 699 R HN 0.532 nan 8.270 nan 0.000 0.449 700 V N 3.285 123.356 119.914 0.262 0.000 2.385 700 V HA 0.267 4.386 4.120 -0.002 0.000 0.269 700 V C -0.081 176.117 176.094 0.173 0.000 1.043 700 V CA -0.486 61.945 62.300 0.219 0.000 0.906 700 V CB 1.307 33.252 31.823 0.204 0.000 0.995 700 V HN 0.526 nan 8.190 nan 0.000 0.467 701 V N 5.444 125.435 119.914 0.129 0.000 2.513 701 V HA 0.374 4.493 4.120 -0.002 0.000 0.299 701 V C -0.080 176.085 176.094 0.120 0.000 1.035 701 V CA -0.753 61.583 62.300 0.060 0.000 0.889 701 V CB 1.857 33.606 31.823 -0.123 0.000 0.988 701 V HN 0.883 nan 8.190 nan 0.000 0.440 702 Q N 5.439 125.319 119.800 0.132 0.000 2.377 702 Q HA 0.251 4.590 4.340 -0.002 0.000 0.249 702 Q C -1.824 174.217 176.000 0.068 0.000 1.005 702 Q CA -1.707 54.170 55.803 0.123 0.000 0.912 702 Q CB 1.656 30.482 28.738 0.146 0.000 1.223 702 Q HN 0.485 nan 8.270 nan 0.000 0.459 703 P HA -0.140 nan 4.420 nan 0.000 0.217 703 P C -0.296 177.014 177.300 0.016 0.000 1.150 703 P CA 1.130 64.258 63.100 0.047 0.000 0.832 703 P CB 0.414 32.148 31.700 0.058 0.000 0.787 704 N N -0.361 118.339 118.700 -0.001 0.000 2.456 704 N HA 0.378 5.117 4.740 -0.002 0.000 0.296 704 N C -0.113 175.350 175.510 -0.080 0.000 1.102 704 N CA -0.507 52.525 53.050 -0.030 0.000 0.924 704 N CB 1.110 39.582 38.487 -0.025 0.000 1.186 704 N HN -0.080 nan 8.380 nan 0.000 0.492 705 A N 0.775 123.541 122.820 -0.090 0.000 2.466 705 A HA 0.424 4.742 4.320 -0.002 0.000 0.238 705 A C 0.814 178.278 177.584 -0.200 0.000 1.074 705 A CA 0.080 52.028 52.037 -0.148 0.000 0.774 705 A CB -0.070 18.871 19.000 -0.099 0.000 1.015 705 A HN 0.756 nan 8.150 nan 0.000 0.498 706 T N -2.716 111.636 114.554 -0.336 0.000 2.724 706 T HA 0.634 4.983 4.350 -0.002 0.000 0.274 706 T C 1.029 175.589 174.700 -0.234 0.000 0.984 706 T CA 0.031 61.924 62.100 -0.346 0.000 1.024 706 T CB 1.079 69.529 68.868 -0.696 0.000 1.320 706 T HN 1.342 nan 8.240 nan 0.000 0.555 707 A N -0.171 122.600 122.820 -0.082 0.000 2.121 707 A HA 0.095 4.414 4.320 -0.002 0.000 0.218 707 A C 1.711 179.462 177.584 0.278 0.000 1.154 707 A CA 1.163 53.258 52.037 0.097 0.000 0.679 707 A CB -0.933 18.128 19.000 0.102 0.000 0.795 707 A HN 0.912 nan 8.150 nan 0.000 0.458 708 W N -0.975 120.394 121.300 0.115 0.000 2.868 708 W HA 0.376 5.035 4.660 -0.002 0.000 0.320 708 W C -0.070 176.432 176.519 -0.028 0.000 1.076 708 W CA 0.585 57.975 57.345 0.075 0.000 1.576 708 W CB -0.842 28.655 29.460 0.061 0.000 1.030 708 W HN 0.408 nan 8.180 nan 0.000 0.558 709 S N 0.337 115.673 115.700 -0.607 0.000 2.588 709 S HA 0.491 4.960 4.470 -0.002 0.000 0.275 709 S C -1.017 173.367 174.600 -0.361 0.000 1.130 709 S CA -0.714 57.126 58.200 -0.599 0.000 0.855 709 S CB 2.776 65.215 63.200 -1.268 0.000 1.116 709 S HN 0.091 nan 8.310 nan 0.000 0.472 710 E N 0.664 120.756 120.200 -0.179 0.000 2.318 710 E HA 0.598 4.946 4.350 -0.002 0.000 0.265 710 E C 0.143 176.707 176.600 -0.061 0.000 1.069 710 E CA -0.835 55.515 56.400 -0.083 0.000 0.893 710 E CB 1.064 30.758 29.700 -0.009 0.000 1.076 710 E HN 0.877 nan 8.360 nan 0.000 0.414 711 A N 1.044 123.839 122.820 -0.042 0.000 2.540 711 A HA 0.366 4.685 4.320 -0.002 0.000 0.239 711 A C 1.156 178.747 177.584 0.011 0.000 1.061 711 A CA 0.812 52.838 52.037 -0.018 0.000 0.758 711 A CB -0.649 18.343 19.000 -0.014 0.000 0.991 711 A HN 0.835 nan 8.150 nan 0.000 0.502 712 G N 0.917 109.730 108.800 0.022 0.000 2.157 712 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.239 712 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.239 712 G C 0.193 175.111 174.900 0.030 0.000 0.982 712 G CA 0.602 45.708 45.100 0.009 0.000 0.650 712 G HN 1.735 nan 8.290 nan 0.000 0.527 713 H N 0.573 119.634 119.070 -0.016 0.000 3.070 713 H HA 0.443 4.998 4.556 -0.002 0.000 0.313 713 H C 0.748 176.128 175.328 0.088 0.000 0.997 713 H CA 0.292 56.357 56.048 0.029 0.000 1.438 713 H CB 0.152 29.912 29.762 -0.002 0.000 1.455 713 H HN 0.304 nan 8.280 nan 0.000 0.575 714 I N 4.805 125.121 120.570 -0.423 0.000 2.325 714 I HA 0.042 4.211 4.170 -0.002 0.000 0.291 714 I C 0.952 176.939 176.117 -0.217 0.000 1.019 714 I CA 0.100 61.281 61.300 -0.199 0.000 1.302 714 I CB 1.490 39.430 38.000 -0.101 0.000 1.401 714 I HN 0.786 nan 8.210 nan 0.000 0.485 715 S N 4.172 119.967 115.700 0.158 0.000 2.505 715 S HA 0.560 5.028 4.470 -0.002 0.000 0.216 715 S C 0.457 175.320 174.600 0.438 0.000 1.018 715 S CA 0.025 58.459 58.200 0.389 0.000 0.911 715 S CB 0.615 64.166 63.200 0.585 0.000 0.818 715 S HN 0.696 nan 8.310 nan 0.000 0.497 716 A N 0.512 123.619 122.820 0.479 0.000 2.594 716 A HA 0.659 4.978 4.320 -0.002 0.000 0.296 716 A C -1.682 176.222 177.584 0.533 0.000 1.061 716 A CA -0.890 51.403 52.037 0.427 0.000 0.689 716 A CB 0.496 19.843 19.000 0.579 0.000 1.280 716 A HN 0.908 nan 8.150 nan 0.000 0.406 717 W N 0.215 121.653 121.300 0.229 0.000 3.025 717 W HA 0.827 5.486 4.660 -0.002 0.000 0.343 717 W C -1.175 175.310 176.519 -0.056 0.000 1.246 717 W CA -0.679 56.668 57.345 0.002 0.000 1.178 717 W CB 1.242 30.698 29.460 -0.007 0.000 1.463 717 W HN 0.955 nan 8.180 nan 0.000 0.578 718 Q N 1.068 120.829 119.800 -0.064 0.000 2.527 718 Q HA 0.385 4.724 4.340 -0.002 0.000 0.280 718 Q C -1.722 174.055 176.000 -0.372 0.000 0.977 718 Q CA -0.467 55.149 55.803 -0.311 0.000 0.837 718 Q CB 2.425 30.778 28.738 -0.643 0.000 1.454 718 Q HN 0.616 nan 8.270 nan 0.000 0.387 719 Q N 1.557 121.092 119.800 -0.442 0.000 2.394 719 Q HA 0.610 4.949 4.340 -0.002 0.000 0.273 719 Q C -1.245 174.552 176.000 -0.337 0.000 1.089 719 Q CA -0.642 55.073 55.803 -0.147 0.000 0.812 719 Q CB 2.008 30.850 28.738 0.174 0.000 1.353 719 Q HN 0.600 nan 8.270 nan 0.000 0.438 720 W N 1.468 122.917 121.300 0.249 0.000 2.936 720 W HA 0.455 5.113 4.660 -0.002 0.000 0.338 720 W C -0.286 176.191 176.519 -0.071 0.000 1.121 720 W CA -0.707 56.699 57.345 0.102 0.000 1.209 720 W CB 1.563 31.048 29.460 0.041 0.000 1.420 720 W HN 0.426 nan 8.180 nan 0.000 0.516 721 R N 1.833 122.234 120.500 -0.165 0.000 2.442 721 R HA 0.359 4.698 4.340 -0.002 0.000 0.291 721 R C 0.480 176.642 176.300 -0.230 0.000 1.069 721 R CA -0.025 55.722 56.100 -0.588 0.000 1.022 721 R CB 0.857 30.752 30.300 -0.675 0.000 0.976 721 R HN 0.303 nan 8.270 nan 0.000 0.443 722 L N 1.441 122.520 121.223 -0.240 0.000 2.793 722 L HA 0.505 4.844 4.340 -0.002 0.000 0.188 722 L C 0.578 177.359 176.870 -0.149 0.000 1.949 722 L CA -1.040 53.722 54.840 -0.130 0.000 2.556 722 L CB -0.054 41.967 42.059 -0.063 0.000 2.898 722 L HN 0.587 nan 8.230 nan 0.000 0.621 723 A N 0.431 123.192 122.820 -0.099 0.000 2.498 723 A HA 0.170 4.489 4.320 -0.002 0.000 0.239 723 A C -0.269 177.258 177.584 -0.095 0.000 1.068 723 A CA 0.218 52.205 52.037 -0.083 0.000 0.766 723 A CB 0.015 18.984 19.000 -0.051 0.000 1.003 723 A HN 0.601 nan 8.150 nan 0.000 0.497 724 E N 1.498 121.647 120.200 -0.085 0.000 2.199 724 E HA 0.305 4.654 4.350 -0.002 0.000 0.269 724 E C -1.260 175.320 176.600 -0.033 0.000 0.899 724 E CA -0.704 55.653 56.400 -0.071 0.000 0.772 724 E CB 0.811 30.457 29.700 -0.089 0.000 1.155 724 E HN 0.706 nan 8.360 nan 0.000 0.408 725 N N 5.073 123.765 118.700 -0.013 0.000 2.564 725 N HA 0.250 4.989 4.740 -0.002 0.000 0.248 725 N C -0.620 174.897 175.510 0.012 0.000 0.986 725 N CA -0.336 52.715 53.050 0.001 0.000 0.921 725 N CB 1.145 39.636 38.487 0.007 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.943 122.173 121.223 0.012 0.000 2.453 726 L HA 0.072 4.410 4.340 -0.002 0.000 0.272 726 L C 1.307 178.194 176.870 0.028 0.000 1.182 726 L CA 0.121 54.974 54.840 0.022 0.000 0.858 726 L CB 0.497 42.568 42.059 0.020 0.000 1.120 726 L HN 0.369 nan 8.230 nan 0.000 0.474 727 S N 2.053 117.776 115.700 0.038 0.000 2.465 727 S HA 0.178 4.647 4.470 -0.002 0.000 0.280 727 S C 0.707 175.328 174.600 0.035 0.000 1.232 727 S CA -0.796 57.427 58.200 0.039 0.000 1.066 727 S CB 0.604 63.834 63.200 0.049 0.000 0.929 727 S HN 0.470 nan 8.310 nan 0.000 0.494 728 V N 2.524 122.456 119.914 0.030 0.000 3.528 728 V HA 0.300 4.418 4.120 -0.002 0.000 0.294 728 V C 0.722 176.832 176.094 0.027 0.000 1.404 728 V CA 0.092 62.408 62.300 0.027 0.000 1.065 728 V CB -0.830 31.006 31.823 0.021 0.000 0.904 728 V HN 0.845 nan 8.190 nan 0.000 0.435 729 T N 0.995 115.566 114.554 0.029 0.000 2.814 729 T HA 0.612 4.960 4.350 -0.002 0.000 0.297 729 T C -0.317 174.402 174.700 0.031 0.000 0.956 729 T CA -0.309 61.808 62.100 0.029 0.000 1.123 729 T CB 1.133 70.019 68.868 0.029 0.000 0.902 729 T HN 0.180 nan 8.240 nan 0.000 0.528 730 L N 5.834 127.074 121.223 0.028 0.000 2.360 730 L HA 0.340 4.679 4.340 -0.002 0.000 0.276 730 L C -1.189 175.699 176.870 0.031 0.000 1.121 730 L CA -1.288 53.569 54.840 0.029 0.000 0.845 730 L CB -0.359 41.715 42.059 0.025 0.000 1.143 730 L HN 0.620 nan 8.230 nan 0.000 0.452 731 P HA 0.183 nan 4.420 nan 0.000 0.269 731 P C -0.769 176.552 177.300 0.034 0.000 1.215 731 P CA -0.624 62.498 63.100 0.036 0.000 0.780 731 P CB 0.654 32.379 31.700 0.040 0.000 0.898 732 A N 2.033 124.874 122.820 0.035 0.000 2.548 732 A HA 0.403 4.722 4.320 -0.002 0.000 0.247 732 A C 0.835 178.442 177.584 0.039 0.000 1.067 732 A CA 0.034 52.091 52.037 0.035 0.000 0.757 732 A CB -0.653 18.368 19.000 0.034 0.000 0.996 732 A HN 0.730 nan 8.150 nan 0.000 0.504 733 A N 3.450 126.293 122.820 0.039 0.000 2.511 733 A HA 0.481 4.799 4.320 -0.002 0.000 0.242 733 A C 0.932 178.549 177.584 0.056 0.000 1.069 733 A CA 0.430 52.492 52.037 0.042 0.000 0.763 733 A CB -0.276 18.748 19.000 0.040 0.000 1.001 733 A HN 1.819 nan 8.150 nan 0.000 0.498 734 S N 1.534 117.267 115.700 0.055 0.000 2.541 734 S HA 0.313 4.781 4.470 -0.002 0.000 0.283 734 S C 0.787 175.441 174.600 0.089 0.000 1.196 734 S CA -0.385 57.859 58.200 0.074 0.000 1.062 734 S CB 1.024 64.260 63.200 0.060 0.000 1.009 734 S HN 0.806 nan 8.310 nan 0.000 0.502 735 H N 2.389 121.473 119.070 0.024 0.000 2.384 735 H HA 0.212 4.768 4.556 0.000 0.000 0.300 735 H C 1.030 176.373 175.328 0.025 0.000 1.057 735 H CA 1.019 57.080 56.048 0.021 0.000 1.370 735 H CB -0.279 29.494 29.762 0.018 0.000 1.417 735 H HN 0.866 nan 8.280 nan 0.000 0.527 736 A N 1.276 124.148 122.820 0.087 0.000 2.407 736 A HA 0.425 4.744 4.320 -0.002 0.000 0.248 736 A C -0.161 177.428 177.584 0.008 0.000 1.082 736 A CA -0.128 51.937 52.037 0.047 0.000 0.785 736 A CB 0.057 19.116 19.000 0.098 0.000 1.020 736 A HN 0.387 nan 8.150 nan 0.000 0.489 737 I N 3.232 123.805 120.570 0.006 0.000 2.418 737 I HA 0.321 4.490 4.170 -0.002 0.000 0.287 737 I C -2.083 174.070 176.117 0.060 0.000 1.008 737 I CA -2.093 59.215 61.300 0.013 0.000 1.104 737 I CB 2.096 40.089 38.000 -0.010 0.000 1.264 737 I HN 0.493 nan 8.210 nan 0.000 0.438 738 P HA -0.015 nan 4.420 nan 0.000 0.268 738 P C -0.992 176.381 177.300 0.120 0.000 1.205 738 P CA 0.237 63.400 63.100 0.105 0.000 0.771 738 P CB 0.646 32.376 31.700 0.050 0.000 0.858 739 H N 2.889 122.000 119.070 0.067 0.000 2.459 739 H HA 0.346 4.901 4.556 -0.002 0.000 0.332 739 H C -1.062 174.308 175.328 0.070 0.000 1.094 739 H CA -0.958 55.121 56.048 0.052 0.000 1.224 739 H CB 1.440 31.230 29.762 0.047 0.000 1.449 739 H HN 0.234 nan 8.280 nan 0.000 0.484 740 L N 5.118 126.002 121.223 -0.565 0.000 2.276 740 L HA 0.283 4.622 4.340 -0.002 0.000 0.286 740 L C -0.594 175.999 176.870 -0.462 0.000 1.061 740 L CA 0.087 54.709 54.840 -0.364 0.000 0.807 740 L CB 1.222 43.131 42.059 -0.250 0.000 1.177 740 L HN 0.580 nan 8.230 nan 0.000 0.429 741 T N 3.276 117.780 114.554 -0.083 0.000 2.856 741 T HA 0.630 4.979 4.350 -0.002 0.000 0.283 741 T C -0.487 174.298 174.700 0.143 0.000 1.008 741 T CA -0.463 61.673 62.100 0.061 0.000 0.997 741 T CB 1.459 70.418 68.868 0.153 0.000 0.992 741 T HN 0.663 nan 8.240 nan 0.000 0.454 742 T N 2.226 116.860 114.554 0.133 0.000 2.863 742 T HA 0.752 5.101 4.350 -0.002 0.000 0.285 742 T C -0.187 174.548 174.700 0.058 0.000 1.009 742 T CA -0.813 61.379 62.100 0.153 0.000 0.989 742 T CB 1.570 70.556 68.868 0.196 0.000 1.004 742 T HN 0.729 nan 8.240 nan 0.000 0.455 743 S N 0.790 116.483 115.700 -0.011 0.000 2.806 743 S HA 0.488 4.956 4.470 -0.002 0.000 0.306 743 S C 0.908 175.446 174.600 -0.103 0.000 1.167 743 S CA -0.850 57.328 58.200 -0.036 0.000 0.847 743 S CB 1.704 64.893 63.200 -0.019 0.000 1.216 743 S HN 0.719 nan 8.310 nan 0.000 0.532 744 E N -0.202 119.952 120.200 -0.078 0.000 2.106 744 E HA -0.063 4.285 4.350 -0.002 0.000 0.192 744 E C 1.516 178.035 176.600 -0.136 0.000 0.984 744 E CA 1.200 57.542 56.400 -0.096 0.000 0.806 744 E CB -0.188 29.480 29.700 -0.054 0.000 0.750 744 E HN 0.699 nan 8.360 nan 0.000 0.458 745 M N 0.118 119.654 119.600 -0.106 0.000 2.492 745 M HA 0.120 4.599 4.480 -0.002 0.000 0.255 745 M C -0.316 175.916 176.300 -0.113 0.000 1.139 745 M CA 0.322 55.568 55.300 -0.090 0.000 1.096 745 M CB 0.702 33.282 32.600 -0.034 0.000 1.360 745 M HN -0.147 nan 8.290 nan 0.000 0.480 746 D N -0.608 119.704 120.400 -0.148 0.000 2.756 746 D HA 0.358 4.997 4.640 -0.002 0.000 0.226 746 D C -1.516 174.691 176.300 -0.155 0.000 1.186 746 D CA -0.346 53.600 54.000 -0.090 0.000 0.845 746 D CB 2.418 43.247 40.800 0.049 0.000 1.610 746 D HN -0.163 nan 8.370 nan 0.000 0.465 747 F N 1.070 121.101 119.950 0.134 0.000 2.411 747 F HA 0.334 4.860 4.527 -0.002 0.000 0.352 747 F C 0.266 176.195 175.800 0.215 0.000 1.123 747 F CA -0.737 57.338 58.000 0.126 0.000 1.044 747 F CB 1.049 40.093 39.000 0.074 0.000 1.135 747 F HN 0.128 nan 8.300 nan 0.000 0.461 748 C N 4.956 124.473 119.300 0.362 0.000 2.417 748 C HA 0.767 5.226 4.460 -0.002 0.000 0.324 748 C C -0.175 174.986 174.990 0.285 0.000 1.240 748 C CA -0.868 58.344 59.018 0.324 0.000 1.632 748 C CB 0.766 28.643 27.740 0.229 0.000 2.241 748 C HN 0.555 nan 8.230 nan 0.000 0.499 749 I N 2.848 123.641 120.570 0.372 0.000 2.436 749 I HA 0.430 4.599 4.170 -0.002 0.000 0.289 749 I C -0.483 175.910 176.117 0.459 0.000 1.010 749 I CA -0.130 61.382 61.300 0.353 0.000 1.098 749 I CB 1.497 39.686 38.000 0.315 0.000 1.266 749 I HN 0.573 nan 8.210 nan 0.000 0.434 750 E N 6.237 126.643 120.200 0.344 0.000 2.199 750 E HA 0.775 5.124 4.350 -0.002 0.000 0.269 750 E C -1.311 175.470 176.600 0.300 0.000 0.899 750 E CA -0.651 55.922 56.400 0.289 0.000 0.772 750 E CB 2.462 32.273 29.700 0.186 0.000 1.155 750 E HN 0.389 nan 8.360 nan 0.000 0.408 751 L N 2.485 123.885 121.223 0.296 0.000 2.580 751 L HA 0.606 4.945 4.340 -0.002 0.000 0.266 751 L C 0.422 177.380 176.870 0.147 0.000 0.955 751 L CA 0.467 55.452 54.840 0.243 0.000 0.886 751 L CB 1.192 43.453 42.059 0.336 0.000 1.263 751 L HN 0.647 nan 8.230 nan 0.000 0.406 752 G N 4.455 113.311 108.800 0.092 0.000 2.622 752 G HA2 -0.428 3.531 3.960 -0.002 0.000 0.307 752 G HA3 -0.428 3.531 3.960 -0.002 0.000 0.307 752 G C 0.485 175.392 174.900 0.012 0.000 1.226 752 G CA 0.651 45.779 45.100 0.048 0.000 0.997 752 G HN 1.324 nan 8.290 nan 0.000 0.551 753 N N 1.424 120.117 118.700 -0.011 0.000 2.313 753 N HA 0.151 4.889 4.740 -0.002 0.000 0.207 753 N C 0.202 175.659 175.510 -0.089 0.000 1.141 753 N CA 0.628 53.651 53.050 -0.045 0.000 0.830 753 N CB 0.225 38.687 38.487 -0.041 0.000 1.008 753 N HN 0.715 nan 8.380 nan 0.000 0.481 754 K N 0.398 120.726 120.400 -0.121 0.000 2.221 754 K HA 0.487 4.805 4.320 -0.002 0.000 0.258 754 K C -0.515 175.846 176.600 -0.398 0.000 0.944 754 K CA -0.538 55.541 56.287 -0.347 0.000 0.823 754 K CB 2.042 34.265 32.500 -0.462 0.000 1.113 754 K HN 0.007 nan 8.250 nan 0.000 0.431 755 R N 1.507 121.720 120.500 -0.479 0.000 2.686 755 R HA 0.431 4.770 4.340 -0.002 0.000 0.283 755 R C -1.205 174.937 176.300 -0.263 0.000 0.978 755 R CA -0.789 55.219 56.100 -0.153 0.000 0.897 755 R CB 1.758 32.115 30.300 0.094 0.000 1.192 755 R HN 0.517 nan 8.270 nan 0.000 0.457 756 W N 2.259 123.671 121.300 0.186 0.000 2.702 756 W HA 0.376 5.035 4.660 -0.003 0.000 0.331 756 W C -0.433 176.146 176.519 0.100 0.000 1.049 756 W CA -0.546 56.816 57.345 0.029 0.000 1.230 756 W CB 2.168 31.628 29.460 -0.001 0.000 1.408 756 W HN 0.364 nan 8.180 nan 0.000 0.492 757 Q N 2.556 122.408 119.800 0.086 0.000 2.325 757 Q HA 0.425 4.764 4.340 -0.002 0.000 0.270 757 Q C -1.836 174.067 176.000 -0.162 0.000 1.020 757 Q CA -0.502 55.374 55.803 0.123 0.000 0.785 757 Q CB 1.366 30.232 28.738 0.215 0.000 1.259 757 Q HN 0.350 nan 8.270 nan 0.000 0.452 758 F N 2.857 122.883 119.950 0.127 0.000 2.402 758 F HA 0.308 4.833 4.527 -0.002 0.000 0.355 758 F C 0.573 176.412 175.800 0.065 0.000 1.123 758 F CA -0.858 57.189 58.000 0.078 0.000 1.021 758 F CB 1.236 40.286 39.000 0.083 0.000 1.160 758 F HN 0.475 nan 8.300 nan 0.000 0.451 759 N N 3.628 122.435 118.700 0.180 0.000 2.452 759 N HA 0.075 4.814 4.740 -0.002 0.000 0.266 759 N C 0.910 176.455 175.510 0.058 0.000 1.175 759 N CA 0.094 53.203 53.050 0.098 0.000 0.945 759 N CB 0.763 39.311 38.487 0.101 0.000 1.063 759 N HN 0.707 nan 8.380 nan 0.000 0.472 760 R N 2.421 122.888 120.500 -0.055 0.000 2.236 760 R HA -0.046 4.293 4.340 -0.002 0.000 0.208 760 R C 1.089 177.344 176.300 -0.075 0.000 1.036 760 R CA 0.850 56.872 56.100 -0.130 0.000 1.001 760 R CB 0.296 30.397 30.300 -0.331 0.000 0.896 760 R HN 0.582 nan 8.270 nan 0.000 0.464 761 Q N -0.423 119.355 119.800 -0.036 0.000 2.204 761 Q HA -0.020 4.318 4.340 -0.002 0.000 0.198 761 Q C 2.095 178.096 176.000 0.002 0.000 0.946 761 Q CA 1.681 57.473 55.803 -0.018 0.000 0.859 761 Q CB 0.283 29.021 28.738 0.000 0.000 0.946 761 Q HN 0.255 nan 8.270 nan 0.000 0.474 762 S N -1.766 113.960 115.700 0.042 0.000 2.470 762 S HA 0.219 4.688 4.470 -0.002 0.000 0.222 762 S C 1.580 176.130 174.600 -0.084 0.000 1.024 762 S CA 0.485 58.735 58.200 0.084 0.000 0.931 762 S CB 0.237 63.593 63.200 0.260 0.000 0.791 762 S HN 0.441 nan 8.310 nan 0.000 0.513 763 G N 0.506 109.272 108.800 -0.057 0.000 2.143 763 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.248 763 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.248 763 G C -0.120 174.730 174.900 -0.083 0.000 0.991 763 G CA 0.312 45.357 45.100 -0.091 0.000 0.689 763 G HN 0.540 nan 8.290 nan 0.000 0.522 764 F N -1.225 118.908 119.950 0.304 0.000 2.538 764 F HA 0.653 5.179 4.527 -0.002 0.000 0.325 764 F C 0.568 176.418 175.800 0.083 0.000 1.066 764 F CA -1.448 56.693 58.000 0.236 0.000 0.946 764 F CB 1.472 40.561 39.000 0.148 0.000 1.199 764 F HN 0.008 nan 8.300 nan 0.000 0.473 765 L N 2.164 123.440 121.223 0.088 0.000 2.638 765 L HA 0.099 4.438 4.340 -0.002 0.000 0.273 765 L C 1.015 177.773 176.870 -0.187 0.000 1.147 765 L CA 0.534 55.094 54.840 -0.466 0.000 0.941 765 L CB 0.226 41.924 42.059 -0.602 0.000 1.251 765 L HN 0.735 nan 8.230 nan 0.000 0.479 766 S N 2.421 118.008 115.700 -0.188 0.000 2.503 766 S HA 0.245 4.713 4.470 -0.002 0.000 0.215 766 S C 0.543 174.994 174.600 -0.249 0.000 1.003 766 S CA -0.158 57.969 58.200 -0.121 0.000 0.910 766 S CB 0.147 63.330 63.200 -0.029 0.000 0.790 766 S HN 0.660 nan 8.310 nan 0.000 0.514 767 Q N -0.011 119.550 119.800 -0.399 0.000 2.479 767 Q HA 0.599 4.938 4.340 -0.002 0.000 0.276 767 Q C -1.910 173.607 176.000 -0.805 0.000 0.989 767 Q CA -0.364 55.029 55.803 -0.683 0.000 0.864 767 Q CB 1.759 29.914 28.738 -0.972 0.000 1.444 767 Q HN 0.281 nan 8.270 nan 0.000 0.388 768 M N 2.721 121.783 119.600 -0.897 0.000 2.386 768 M HA 0.524 5.003 4.480 -0.002 0.000 0.293 768 M C -1.964 173.886 176.300 -0.750 0.000 1.120 768 M CA -0.134 54.711 55.300 -0.760 0.000 0.909 768 M CB 1.557 33.763 32.600 -0.655 0.000 1.661 768 M HN 0.758 nan 8.290 nan 0.000 0.452 769 W N 5.767 126.824 121.300 -0.406 0.000 2.702 769 W HA 0.576 5.235 4.660 -0.002 0.000 0.331 769 W C -1.089 175.231 176.519 -0.331 0.000 1.049 769 W CA -0.628 56.543 57.345 -0.290 0.000 1.230 769 W CB 1.599 30.922 29.460 -0.228 0.000 1.408 769 W HN 0.514 nan 8.180 nan 0.000 0.492 770 I N 2.255 122.817 120.570 -0.015 0.000 2.411 770 I HA 0.299 4.468 4.170 -0.002 0.000 0.284 770 I C 0.905 177.007 176.117 -0.025 0.000 1.012 770 I CA -0.554 60.703 61.300 -0.073 0.000 1.119 770 I CB 1.414 39.348 38.000 -0.111 0.000 1.261 770 I HN 0.714 nan 8.210 nan 0.000 0.448 771 G N 4.184 112.962 108.800 -0.036 0.000 2.323 771 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.292 771 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.292 771 G C 0.347 175.239 174.900 -0.013 0.000 1.040 771 G CA 0.383 45.464 45.100 -0.031 0.000 0.942 771 G HN 0.887 nan 8.290 nan 0.000 0.506 772 D N -2.020 118.379 120.400 -0.003 0.000 3.077 772 D HA -0.151 4.487 4.640 -0.002 0.000 0.217 772 D C 0.592 176.993 176.300 0.167 0.000 1.162 772 D CA 1.812 55.796 54.000 -0.027 0.000 0.943 772 D CB -0.313 40.413 40.800 -0.123 0.000 1.122 772 D HN 0.594 nan 8.370 nan 0.000 0.413 773 K N 1.161 121.678 120.400 0.196 0.000 2.185 773 K HA 0.351 4.670 4.320 -0.002 0.000 0.269 773 K C 0.530 177.223 176.600 0.154 0.000 0.987 773 K CA -0.451 55.936 56.287 0.167 0.000 0.865 773 K CB 1.571 34.101 32.500 0.050 0.000 1.090 773 K HN 0.038 nan 8.250 nan 0.000 0.450 774 K N 2.224 122.664 120.400 0.067 0.000 2.401 774 K HA 0.018 4.337 4.320 -0.002 0.000 0.278 774 K C 1.053 177.542 176.600 -0.185 0.000 1.018 774 K CA -0.036 56.115 56.287 -0.227 0.000 0.981 774 K CB 0.636 33.039 32.500 -0.161 0.000 0.933 774 K HN 0.316 nan 8.250 nan 0.000 0.477 775 Q N 1.478 121.115 119.800 -0.271 0.000 2.350 775 Q HA 0.190 4.529 4.340 -0.002 0.000 0.225 775 Q C 0.071 176.008 176.000 -0.104 0.000 0.878 775 Q CA 0.491 56.238 55.803 -0.094 0.000 0.935 775 Q CB 0.487 29.224 28.738 -0.002 0.000 1.099 775 Q HN 0.512 nan 8.270 nan 0.000 0.527 776 L N 0.462 121.553 121.223 -0.221 0.000 2.346 776 L HA 0.393 4.732 4.340 -0.002 0.000 0.274 776 L C 0.866 177.612 176.870 -0.206 0.000 1.007 776 L CA -0.356 54.364 54.840 -0.200 0.000 0.818 776 L CB 1.725 43.652 42.059 -0.221 0.000 1.284 776 L HN -0.090 nan 8.230 nan 0.000 0.424 777 L N 0.402 121.494 121.223 -0.218 0.000 2.537 777 L HA 0.241 4.580 4.340 -0.002 0.000 0.224 777 L C 0.071 176.825 176.870 -0.194 0.000 1.065 777 L CA 0.641 55.361 54.840 -0.200 0.000 0.860 777 L CB 0.692 42.616 42.059 -0.224 0.000 1.086 777 L HN 0.609 nan 8.230 nan 0.000 0.482 778 T N 0.249 114.653 114.554 -0.250 0.000 2.886 778 T HA 0.396 4.745 4.350 -0.002 0.000 0.292 778 T C -2.569 172.045 174.700 -0.144 0.000 1.012 778 T CA -1.236 60.758 62.100 -0.177 0.000 0.982 778 T CB 2.319 71.055 68.868 -0.220 0.000 1.018 778 T HN -0.279 nan 8.240 nan 0.000 0.451 779 P HA 0.122 nan 4.420 nan 0.000 0.269 779 P C -0.519 176.738 177.300 -0.071 0.000 1.217 779 P CA -0.711 62.349 63.100 -0.066 0.000 0.783 779 P CB 0.430 32.125 31.700 -0.008 0.000 0.898 780 L N 3.670 124.889 121.223 -0.008 0.000 2.385 780 L HA 0.208 4.547 4.340 -0.002 0.000 0.281 780 L C 0.158 176.979 176.870 -0.083 0.000 1.106 780 L CA 0.742 55.609 54.840 0.046 0.000 0.856 780 L CB -0.642 41.556 42.059 0.233 0.000 1.186 780 L HN 0.286 nan 8.230 nan 0.000 0.453 781 R N 2.876 123.227 120.500 -0.248 0.000 2.795 781 R HA 0.443 4.782 4.340 -0.002 0.000 0.275 781 R C -0.998 175.139 176.300 -0.272 0.000 0.981 781 R CA -1.055 54.695 56.100 -0.584 0.000 0.917 781 R CB 1.278 31.122 30.300 -0.760 0.000 1.202 781 R HN 0.540 nan 8.270 nan 0.000 0.469 782 D N 1.383 121.680 120.400 -0.171 0.000 2.423 782 D HA 0.020 4.659 4.640 -0.002 0.000 0.238 782 D C -0.420 175.476 176.300 -0.673 0.000 1.142 782 D CA 0.501 54.255 54.000 -0.409 0.000 0.884 782 D CB 0.669 41.165 40.800 -0.506 0.000 1.199 782 D HN 0.203 nan 8.370 nan 0.000 0.438 783 Q N 1.211 120.451 119.800 -0.934 0.000 2.323 783 Q HA 0.374 4.713 4.340 -0.002 0.000 0.271 783 Q C -1.120 174.174 176.000 -1.176 0.000 1.048 783 Q CA -0.611 54.689 55.803 -0.837 0.000 0.792 783 Q CB 0.881 29.336 28.738 -0.471 0.000 1.280 783 Q HN 0.560 nan 8.270 nan 0.000 0.441 784 F N 0.457 120.000 119.950 -0.679 0.000 2.746 784 F HA 0.188 4.714 4.527 -0.002 0.000 0.320 784 F C 0.611 175.953 175.800 -0.764 0.000 1.097 784 F CA -0.259 57.225 58.000 -0.859 0.000 1.195 784 F CB 1.523 39.654 39.000 -1.449 0.000 1.056 784 F HN 0.433 nan 8.300 nan 0.000 0.562 785 T N -0.710 113.524 114.554 -0.533 0.000 2.930 785 T HA 0.756 5.104 4.350 -0.002 0.000 0.290 785 T C -0.533 173.900 174.700 -0.444 0.000 1.052 785 T CA -0.947 60.774 62.100 -0.632 0.000 1.017 785 T CB 2.660 71.108 68.868 -0.700 0.000 1.137 785 T HN 0.251 nan 8.240 nan 0.000 0.511 786 R N 0.064 120.337 120.500 -0.378 0.000 2.795 786 R HA 0.764 5.103 4.340 -0.002 0.000 0.275 786 R C -0.659 175.672 176.300 0.051 0.000 0.981 786 R CA -1.188 54.824 56.100 -0.147 0.000 0.917 786 R CB 1.521 31.739 30.300 -0.136 0.000 1.202 786 R HN 0.824 nan 8.270 nan 0.000 0.469 787 A N 3.786 126.628 122.820 0.036 0.000 2.537 787 A HA 0.235 4.554 4.320 -0.002 0.000 0.260 787 A C -1.942 175.694 177.584 0.086 0.000 1.082 787 A CA -1.090 50.971 52.037 0.041 0.000 0.765 787 A CB -0.513 18.460 19.000 -0.045 0.000 1.019 787 A HN 0.576 nan 8.150 nan 0.000 0.507 788 P HA 0.161 nan 4.420 nan 0.000 0.267 788 P C -0.233 177.166 177.300 0.165 0.000 1.205 788 P CA 0.230 63.481 63.100 0.252 0.000 0.765 788 P CB 0.486 32.371 31.700 0.307 0.000 0.828 789 L N 2.472 123.765 121.223 0.116 0.000 2.476 789 L HA 0.137 4.475 4.340 -0.002 0.000 0.255 789 L C 1.852 178.735 176.870 0.022 0.000 1.218 789 L CA -0.460 54.385 54.840 0.009 0.000 0.819 789 L CB -0.182 41.819 42.059 -0.097 0.000 1.119 789 L HN 0.275 nan 8.230 nan 0.000 0.485 790 D N 0.302 120.660 120.400 -0.069 0.000 2.133 790 D HA -0.165 4.474 4.640 -0.002 0.000 0.195 790 D C 1.665 177.890 176.300 -0.126 0.000 0.997 790 D CA 1.445 55.343 54.000 -0.171 0.000 0.840 790 D CB -0.116 40.514 40.800 -0.283 0.000 0.947 790 D HN 0.484 nan 8.370 nan 0.000 0.452 791 N N 1.026 119.670 118.700 -0.093 0.000 2.309 791 N HA -0.110 4.629 4.740 -0.002 0.000 0.182 791 N C 1.135 176.659 175.510 0.023 0.000 1.018 791 N CA 0.705 53.727 53.050 -0.047 0.000 0.876 791 N CB -0.176 38.278 38.487 -0.055 0.000 0.972 791 N HN 0.249 nan 8.380 nan 0.000 0.434 792 D N 0.387 120.817 120.400 0.049 0.000 2.183 792 D HA 0.029 4.667 4.640 -0.002 0.000 0.203 792 D C 1.980 178.325 176.300 0.076 0.000 0.969 792 D CA 0.443 54.507 54.000 0.106 0.000 0.842 792 D CB 0.112 41.049 40.800 0.227 0.000 0.957 792 D HN 0.324 nan 8.370 nan 0.000 0.484 793 I N 0.045 120.645 120.570 0.050 0.000 2.494 793 I HA 0.076 4.244 4.170 -0.002 0.000 0.250 793 I C 1.794 177.932 176.117 0.034 0.000 1.112 793 I CA 0.625 61.946 61.300 0.034 0.000 1.438 793 I CB -0.302 37.696 38.000 -0.003 0.000 1.111 793 I HN 0.065 nan 8.210 nan 0.000 0.431 794 G N 1.301 110.130 108.800 0.048 0.000 2.550 794 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.277 794 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.277 794 G C 0.656 175.732 174.900 0.293 0.000 1.190 794 G CA 0.694 45.886 45.100 0.152 0.000 0.971 794 G HN 0.540 nan 8.290 nan 0.000 0.559 795 V N -1.815 118.230 119.914 0.219 0.000 3.596 795 V HA 0.602 4.721 4.120 -0.002 0.000 0.289 795 V C 1.283 177.417 176.094 0.066 0.000 1.336 795 V CA 1.260 63.643 62.300 0.138 0.000 1.137 795 V CB 0.092 31.884 31.823 -0.051 0.000 0.966 795 V HN 1.382 nan 8.190 nan 0.000 0.428 796 S N 1.252 116.987 115.700 0.058 0.000 2.537 796 S HA 0.276 4.745 4.470 -0.002 0.000 0.286 796 S C 0.021 174.639 174.600 0.031 0.000 1.299 796 S CA 0.044 58.259 58.200 0.026 0.000 1.067 796 S CB 0.154 63.363 63.200 0.015 0.000 0.864 796 S HN 0.803 nan 8.310 nan 0.000 0.494 797 E N 1.722 121.935 120.200 0.021 0.000 2.423 797 E HA 0.582 4.930 4.350 -0.002 0.000 0.269 797 E C 0.750 177.367 176.600 0.027 0.000 0.948 797 E CA -0.676 55.741 56.400 0.028 0.000 0.802 797 E CB 1.225 30.941 29.700 0.025 0.000 1.339 797 E HN 0.576 nan 8.360 nan 0.000 0.445 798 A N 0.070 122.912 122.820 0.036 0.000 1.933 798 A HA -0.161 4.158 4.320 -0.002 0.000 0.218 798 A C 1.979 179.579 177.584 0.026 0.000 1.175 798 A CA 2.389 54.447 52.037 0.035 0.000 0.628 798 A CB -0.907 18.119 19.000 0.044 0.000 0.814 798 A HN 0.659 nan 8.150 nan 0.000 0.444 799 T N -3.706 110.862 114.554 0.024 0.000 3.054 799 T HA 0.212 4.561 4.350 -0.002 0.000 0.259 799 T C 0.892 175.595 174.700 0.005 0.000 1.092 799 T CA 0.268 62.377 62.100 0.016 0.000 1.121 799 T CB 0.011 68.889 68.868 0.017 0.000 0.912 799 T HN 0.325 nan 8.240 nan 0.000 0.489 800 R N 0.754 121.255 120.500 0.002 0.000 2.607 800 R HA 0.479 4.818 4.340 -0.002 0.000 0.278 800 R C -1.136 175.159 176.300 -0.008 0.000 1.637 800 R CA -0.404 55.690 56.100 -0.010 0.000 1.325 800 R CB 0.821 31.107 30.300 -0.023 0.000 1.211 800 R HN 0.343 nan 8.270 nan 0.000 0.565 801 I N 1.584 122.150 120.570 -0.006 0.000 2.496 801 I HA -0.015 4.153 4.170 -0.002 0.000 0.285 801 I C 0.382 176.488 176.117 -0.019 0.000 1.080 801 I CA 0.186 61.483 61.300 -0.006 0.000 1.404 801 I CB 0.627 38.627 38.000 -0.001 0.000 1.403 801 I HN 0.305 nan 8.210 nan 0.000 0.539 802 D N 9.504 129.890 120.400 -0.024 0.000 2.467 802 D HA 0.206 4.845 4.640 -0.002 0.000 0.220 802 D C -1.531 174.732 176.300 -0.061 0.000 1.103 802 D CA -2.412 51.563 54.000 -0.040 0.000 0.886 802 D CB 1.236 42.016 40.800 -0.034 0.000 1.025 802 D HN 0.215 nan 8.370 nan 0.000 0.514 803 P HA -0.109 nan 4.420 nan 0.000 0.228 803 P C 0.808 178.022 177.300 -0.142 0.000 1.151 803 P CA 0.569 63.618 63.100 -0.085 0.000 0.770 803 P CB 0.485 32.144 31.700 -0.069 0.000 0.786 804 N N 0.124 118.731 118.700 -0.155 0.000 2.415 804 N HA 0.048 4.787 4.740 -0.002 0.000 0.176 804 N C 0.526 175.843 175.510 -0.321 0.000 1.042 804 N CA 0.084 52.995 53.050 -0.232 0.000 0.902 804 N CB -0.453 37.925 38.487 -0.182 0.000 0.986 804 N HN -0.049 nan 8.380 nan 0.000 0.447 805 A N -0.390 122.294 122.820 -0.227 0.000 2.520 805 A HA 0.017 4.336 4.320 -0.002 0.000 0.235 805 A C 0.764 178.146 177.584 -0.335 0.000 1.065 805 A CA -0.207 51.697 52.037 -0.222 0.000 0.764 805 A CB -0.222 18.723 19.000 -0.093 0.000 1.002 805 A HN 0.550 nan 8.150 nan 0.000 0.502 806 W N 1.629 122.680 121.300 -0.415 0.000 2.318 806 W HA -0.178 4.481 4.660 -0.002 0.000 0.313 806 W C 2.237 178.141 176.519 -1.026 0.000 1.221 806 W CA 1.673 58.500 57.345 -0.863 0.000 1.266 806 W CB -0.300 28.549 29.460 -1.018 0.000 1.150 806 W HN 0.569 nan 8.180 nan 0.000 0.496 807 V N 0.835 120.615 119.914 -0.224 0.000 2.392 807 V HA -0.267 3.852 4.120 -0.002 0.000 0.249 807 V C 2.103 178.294 176.094 0.162 0.000 1.059 807 V CA 2.124 64.531 62.300 0.179 0.000 1.051 807 V CB -0.322 31.644 31.823 0.239 0.000 0.658 807 V HN 0.096 nan 8.190 nan 0.000 0.455 808 E N -0.189 120.008 120.200 -0.005 0.000 2.112 808 E HA -0.126 4.223 4.350 -0.002 0.000 0.190 808 E C 2.349 178.928 176.600 -0.035 0.000 0.979 808 E CA 0.845 57.245 56.400 -0.001 0.000 0.814 808 E CB -0.300 29.376 29.700 -0.041 0.000 0.762 808 E HN 0.609 nan 8.360 nan 0.000 0.460 809 R N -0.050 120.353 120.500 -0.161 0.000 2.081 809 R HA -0.120 4.219 4.340 -0.002 0.000 0.235 809 R C 2.267 178.516 176.300 -0.085 0.000 1.131 809 R CA 1.276 57.261 56.100 -0.192 0.000 0.960 809 R CB -0.178 29.897 30.300 -0.375 0.000 0.856 809 R HN 0.251 nan 8.270 nan 0.000 0.436 810 W N 1.423 122.693 121.300 -0.051 0.000 2.358 810 W HA -0.095 4.564 4.660 -0.002 0.000 0.303 810 W C 1.971 178.479 176.519 -0.017 0.000 1.208 810 W CA 0.730 57.959 57.345 -0.194 0.000 1.274 810 W CB -0.683 28.772 29.460 -0.009 0.000 1.138 810 W HN 0.109 nan 8.180 nan 0.000 0.515 811 K N 0.068 120.694 120.400 0.376 0.000 2.026 811 K HA -0.082 4.237 4.320 -0.002 0.000 0.208 811 K C 2.294 178.970 176.600 0.127 0.000 1.048 811 K CA 1.762 58.227 56.287 0.296 0.000 0.929 811 K CB -0.606 32.023 32.500 0.215 0.000 0.713 811 K HN -0.024 nan 8.250 nan 0.000 0.439 812 A N 1.108 123.975 122.820 0.077 0.000 1.972 812 A HA -0.067 4.251 4.320 -0.002 0.000 0.219 812 A C 2.176 179.785 177.584 0.041 0.000 1.169 812 A CA 1.742 53.810 52.037 0.052 0.000 0.635 812 A CB -0.479 18.536 19.000 0.024 0.000 0.810 812 A HN 0.340 nan 8.150 nan 0.000 0.446 813 A N -1.956 120.872 122.820 0.012 0.000 2.208 813 A HA 0.413 4.731 4.320 -0.002 0.000 0.209 813 A C 1.769 179.332 177.584 -0.034 0.000 1.161 813 A CA 1.195 53.256 52.037 0.040 0.000 0.782 813 A CB -0.772 18.242 19.000 0.023 0.000 0.816 813 A HN 1.851 nan 8.150 nan 0.000 0.477 814 G N -1.501 107.158 108.800 -0.235 0.000 2.132 814 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.234 814 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.234 814 G C 0.615 175.501 174.900 -0.024 0.000 0.989 814 G CA 0.620 45.346 45.100 -0.623 0.000 0.676 814 G HN 0.719 nan 8.290 nan 0.000 0.522 815 H N -1.357 117.697 119.070 -0.026 0.000 2.352 815 H HA -0.130 4.425 4.556 -0.002 0.000 0.299 815 H C 2.228 177.515 175.328 -0.068 0.000 1.097 815 H CA 1.813 57.859 56.048 -0.004 0.000 1.311 815 H CB 0.086 29.792 29.762 -0.095 0.000 1.377 815 H HN 0.631 nan 8.280 nan 0.000 0.504 816 Y N 0.320 120.738 120.300 0.196 0.000 2.457 816 Y HA -0.094 4.455 4.550 -0.002 0.000 0.292 816 Y C 2.322 178.298 175.900 0.125 0.000 1.125 816 Y CA 0.357 58.531 58.100 0.123 0.000 1.254 816 Y CB 0.356 38.877 38.460 0.101 0.000 1.012 816 Y HN 0.157 nan 8.280 nan 0.000 0.555 817 Q N -0.041 119.912 119.800 0.255 0.000 2.396 817 Q HA 0.255 4.594 4.340 -0.002 0.000 0.209 817 Q C 0.854 177.020 176.000 0.276 0.000 0.906 817 Q CA 0.297 56.242 55.803 0.235 0.000 0.927 817 Q CB -0.010 28.858 28.738 0.217 0.000 1.069 817 Q HN 0.286 nan 8.270 nan 0.000 0.523 818 A N 2.102 125.098 122.820 0.293 0.000 2.567 818 A HA 0.000 4.319 4.320 -0.002 0.000 0.240 818 A C -0.137 177.723 177.584 0.459 0.000 1.053 818 A CA 0.397 52.666 52.037 0.386 0.000 0.755 818 A CB 0.000 19.251 19.000 0.419 0.000 0.978 818 A HN 0.116 nan 8.150 nan 0.000 0.507 819 E N 1.331 121.730 120.200 0.331 0.000 2.175 819 E HA 0.471 4.820 4.350 -0.002 0.000 0.278 819 E C -0.006 176.590 176.600 -0.006 0.000 0.969 819 E CA -0.531 55.995 56.400 0.210 0.000 0.796 819 E CB 1.682 31.468 29.700 0.143 0.000 1.104 819 E HN 0.798 nan 8.360 nan 0.000 0.395 820 A N 2.499 125.210 122.820 -0.182 0.000 2.454 820 A HA 0.450 4.769 4.320 -0.002 0.000 0.260 820 A C -0.140 177.292 177.584 -0.253 0.000 1.106 820 A CA -0.119 51.529 52.037 -0.648 0.000 0.780 820 A CB 0.227 18.967 19.000 -0.433 0.000 1.044 820 A HN 0.590 nan 8.150 nan 0.000 0.498 821 A N 2.988 125.645 122.820 -0.271 0.000 2.287 821 A HA 0.575 4.894 4.320 -0.002 0.000 0.317 821 A C -0.406 177.095 177.584 -0.139 0.000 1.220 821 A CA -0.556 51.406 52.037 -0.125 0.000 0.835 821 A CB 0.460 19.411 19.000 -0.082 0.000 1.180 821 A HN 1.230 nan 8.150 nan 0.000 0.500 822 L N 3.394 124.535 121.223 -0.137 0.000 2.360 822 L HA 0.338 4.677 4.340 -0.002 0.000 0.276 822 L C 0.411 177.157 176.870 -0.207 0.000 1.121 822 L CA 0.318 54.992 54.840 -0.276 0.000 0.845 822 L CB 0.320 42.234 42.059 -0.241 0.000 1.143 822 L HN 0.775 nan 8.230 nan 0.000 0.452 823 L N 3.236 124.316 121.223 -0.238 0.000 2.500 823 L HA 0.332 4.671 4.340 -0.002 0.000 0.219 823 L C 0.457 177.257 176.870 -0.118 0.000 1.057 823 L CA 0.053 54.814 54.840 -0.132 0.000 0.854 823 L CB 0.055 42.063 42.059 -0.085 0.000 1.078 823 L HN 0.687 nan 8.230 nan 0.000 0.480 824 Q N -0.223 119.478 119.800 -0.165 0.000 2.352 824 Q HA 0.326 4.665 4.340 -0.002 0.000 0.270 824 Q C -2.011 173.919 176.000 -0.116 0.000 1.006 824 Q CA -0.427 55.314 55.803 -0.104 0.000 0.880 824 Q CB 3.102 31.802 28.738 -0.065 0.000 1.392 824 Q HN 0.094 nan 8.270 nan 0.000 0.401 825 C N 3.593 122.871 119.300 -0.037 0.000 3.171 825 C HA 0.636 5.094 4.460 -0.002 0.000 0.336 825 C C -0.644 174.436 174.990 0.150 0.000 1.035 825 C CA 0.186 59.227 59.018 0.038 0.000 1.361 825 C CB 0.136 27.904 27.740 0.046 0.000 1.804 825 C HN 0.811 nan 8.230 nan 0.000 0.535 826 T N 1.991 116.558 114.554 0.022 0.000 2.932 826 T HA 0.892 5.241 4.350 -0.002 0.000 0.289 826 T C -0.364 174.098 174.700 -0.398 0.000 1.039 826 T CA -0.348 61.702 62.100 -0.082 0.000 1.024 826 T CB 1.989 70.810 68.868 -0.078 0.000 1.090 826 T HN 1.493 nan 8.240 nan 0.000 0.496 827 A N 1.786 124.213 122.820 -0.654 0.000 2.359 827 A HA 0.681 5.000 4.320 -0.002 0.000 0.303 827 A C -1.166 176.157 177.584 -0.435 0.000 1.066 827 A CA -0.810 50.753 52.037 -0.790 0.000 0.730 827 A CB 1.099 19.169 19.000 -1.549 0.000 1.211 827 A HN 0.855 nan 8.150 nan 0.000 0.439 828 D N 2.033 122.247 120.400 -0.311 0.000 2.502 828 D HA 0.376 5.015 4.640 -0.002 0.000 0.249 828 D C -0.709 175.485 176.300 -0.175 0.000 1.092 828 D CA 0.055 53.935 54.000 -0.200 0.000 0.839 828 D CB 2.087 42.800 40.800 -0.144 0.000 1.264 828 D HN 0.405 nan 8.370 nan 0.000 0.511 829 T N 2.791 117.259 114.554 -0.142 0.000 2.749 829 T HA 0.372 4.721 4.350 -0.002 0.000 0.295 829 T C 0.780 175.432 174.700 -0.080 0.000 0.936 829 T CA -0.299 61.734 62.100 -0.113 0.000 1.060 829 T CB 0.652 69.459 68.868 -0.101 0.000 0.904 829 T HN 0.104 nan 8.240 nan 0.000 0.500 830 L N 1.597 122.777 121.223 -0.071 0.000 2.421 830 L HA 0.617 4.955 4.340 -0.002 0.000 0.267 830 L C 2.018 178.864 176.870 -0.040 0.000 1.036 830 L CA -1.227 53.581 54.840 -0.054 0.000 0.829 830 L CB 0.214 42.240 42.059 -0.054 0.000 1.437 830 L HN 0.645 nan 8.230 nan 0.000 0.488 831 A N 0.507 123.307 122.820 -0.033 0.000 1.883 831 A HA -0.175 4.144 4.320 -0.002 0.000 0.217 831 A C 1.178 178.744 177.584 -0.030 0.000 1.186 831 A CA 2.170 54.190 52.037 -0.028 0.000 0.624 831 A CB -0.484 18.502 19.000 -0.024 0.000 0.822 831 A HN 0.907 nan 8.150 nan 0.000 0.444 832 D N -2.526 117.857 120.400 -0.029 0.000 2.563 832 D HA 0.545 5.183 4.640 -0.002 0.000 0.237 832 D C -0.025 176.259 176.300 -0.028 0.000 1.282 832 D CA 0.645 54.630 54.000 -0.026 0.000 0.816 832 D CB -0.170 40.619 40.800 -0.019 0.000 1.066 832 D HN 0.481 nan 8.370 nan 0.000 0.501 833 A N -0.430 122.366 122.820 -0.040 0.000 2.602 833 A HA 0.658 4.977 4.320 -0.002 0.000 0.290 833 A C -1.638 175.899 177.584 -0.079 0.000 1.114 833 A CA -0.702 51.300 52.037 -0.059 0.000 0.683 833 A CB 1.780 20.744 19.000 -0.060 0.000 1.281 833 A HN 0.012 nan 8.150 nan 0.000 0.416 834 V N 0.788 120.636 119.914 -0.109 0.000 2.448 834 V HA 0.580 4.698 4.120 -0.002 0.000 0.295 834 V C -0.927 175.069 176.094 -0.163 0.000 1.025 834 V CA -0.385 61.831 62.300 -0.141 0.000 0.859 834 V CB 1.320 33.056 31.823 -0.145 0.000 0.988 834 V HN 0.797 nan 8.190 nan 0.000 0.431 835 L N 6.645 127.763 121.223 -0.174 0.000 2.294 835 L HA 0.604 4.943 4.340 -0.002 0.000 0.283 835 L C -0.631 176.098 176.870 -0.235 0.000 1.015 835 L CA 0.017 54.759 54.840 -0.163 0.000 0.831 835 L CB 0.923 42.913 42.059 -0.116 0.000 1.217 835 L HN 0.421 nan 8.230 nan 0.000 0.420 836 I N 4.085 124.497 120.570 -0.263 0.000 2.353 836 I HA 0.377 4.545 4.170 -0.002 0.000 0.293 836 I C 0.067 176.113 176.117 -0.118 0.000 0.992 836 I CA -0.185 60.896 61.300 -0.364 0.000 1.268 836 I CB 1.289 38.779 38.000 -0.851 0.000 1.387 836 I HN 0.538 nan 8.210 nan 0.000 0.478 837 T N 4.804 119.292 114.554 -0.111 0.000 2.792 837 T HA 0.598 4.946 4.350 -0.002 0.000 0.280 837 T C 0.213 174.922 174.700 0.016 0.000 0.990 837 T CA -0.566 61.524 62.100 -0.017 0.000 0.960 837 T CB 1.742 70.585 68.868 -0.042 0.000 0.939 837 T HN 0.781 nan 8.240 nan 0.000 0.439 838 T N -0.458 114.149 114.554 0.088 0.000 2.906 838 T HA 0.866 5.215 4.350 -0.002 0.000 0.295 838 T C -1.104 173.622 174.700 0.043 0.000 1.061 838 T CA -1.063 61.071 62.100 0.058 0.000 1.000 838 T CB 2.002 70.981 68.868 0.185 0.000 1.103 838 T HN 0.775 nan 8.240 nan 0.000 0.486 839 A N 1.750 124.507 122.820 -0.106 0.000 2.427 839 A HA 0.752 5.071 4.320 -0.002 0.000 0.298 839 A C -1.371 176.064 177.584 -0.247 0.000 1.036 839 A CA -0.779 51.233 52.037 -0.041 0.000 0.701 839 A CB 0.852 19.845 19.000 -0.012 0.000 1.250 839 A HN 1.007 nan 8.150 nan 0.000 0.412 840 H N 0.186 119.291 119.070 0.058 0.000 2.747 840 H HA 0.786 5.341 4.556 -0.002 0.000 0.371 840 H C -0.063 175.260 175.328 -0.008 0.000 1.161 840 H CA 0.218 56.208 56.048 -0.096 0.000 1.167 840 H CB 2.178 31.778 29.762 -0.270 0.000 1.732 840 H HN 0.976 nan 8.280 nan 0.000 0.544 841 A N 2.015 124.819 122.820 -0.025 0.000 2.343 841 A HA 0.363 4.681 4.320 -0.002 0.000 0.308 841 A C -1.358 176.210 177.584 -0.027 0.000 1.092 841 A CA -0.713 51.378 52.037 0.089 0.000 0.751 841 A CB 1.020 20.055 19.000 0.058 0.000 1.203 841 A HN 0.587 nan 8.150 nan 0.000 0.452 842 W N 2.292 123.694 121.300 0.170 0.000 2.335 842 W HA 0.395 5.053 4.660 -0.002 0.000 0.307 842 W C -0.252 176.282 176.519 0.026 0.000 1.117 842 W CA -0.100 57.338 57.345 0.154 0.000 1.228 842 W CB 1.339 30.961 29.460 0.269 0.000 1.240 842 W HN 0.705 nan 8.180 nan 0.000 0.468 843 Q N 1.558 121.480 119.800 0.203 0.000 2.394 843 Q HA 0.306 4.644 4.340 -0.002 0.000 0.273 843 Q C -1.279 174.840 176.000 0.199 0.000 1.089 843 Q CA -0.969 54.913 55.803 0.132 0.000 0.812 843 Q CB 3.338 32.119 28.738 0.072 0.000 1.353 843 Q HN 0.396 nan 8.270 nan 0.000 0.438 844 H N 1.100 120.204 119.070 0.056 0.000 2.924 844 H HA 0.145 4.700 4.556 -0.002 0.000 0.333 844 H C -1.148 174.212 175.328 0.053 0.000 0.979 844 H CA -0.117 55.975 56.048 0.073 0.000 1.326 844 H CB 0.767 30.585 29.762 0.094 0.000 1.600 844 H HN 0.674 nan 8.280 nan 0.000 0.520 845 Q N 3.915 123.513 119.800 -0.338 0.000 2.435 845 Q HA -0.259 4.080 4.340 -0.002 0.000 0.312 845 Q C 1.016 176.958 176.000 -0.096 0.000 1.333 845 Q CA 1.202 56.852 55.803 -0.255 0.000 0.883 845 Q CB -1.418 27.096 28.738 -0.373 0.000 1.170 845 Q HN 1.279 nan 8.270 nan 0.000 0.443 846 G N -0.673 108.101 108.800 -0.044 0.000 2.217 846 G HA2 -0.361 3.598 3.960 -0.002 0.000 0.246 846 G HA3 -0.361 3.598 3.960 -0.002 0.000 0.246 846 G C 0.050 174.953 174.900 0.004 0.000 0.990 846 G CA 0.344 45.436 45.100 -0.014 0.000 0.627 846 G HN 0.334 nan 8.290 nan 0.000 0.522 847 K N 1.976 122.386 120.400 0.016 0.000 2.234 847 K HA 0.623 4.942 4.320 -0.002 0.000 0.277 847 K C 0.073 176.684 176.600 0.019 0.000 1.038 847 K CA -0.096 56.206 56.287 0.025 0.000 0.888 847 K CB 0.740 33.268 32.500 0.046 0.000 1.091 847 K HN 0.010 nan 8.250 nan 0.000 0.467 848 T N 6.453 121.008 114.554 0.001 0.000 2.727 848 T HA 0.186 4.535 4.350 -0.002 0.000 0.295 848 T C 1.130 175.766 174.700 -0.107 0.000 0.915 848 T CA -0.288 61.804 62.100 -0.013 0.000 1.066 848 T CB 0.257 69.135 68.868 0.017 0.000 0.891 848 T HN 0.539 nan 8.240 nan 0.000 0.516 849 L N 2.586 123.652 121.223 -0.261 0.000 2.130 849 L HA 0.324 4.663 4.340 -0.002 0.000 0.200 849 L C 0.003 176.349 176.870 -0.873 0.000 1.075 849 L CA 0.883 55.281 54.840 -0.738 0.000 0.768 849 L CB 0.011 41.305 42.059 -1.275 0.000 0.933 849 L HN 0.517 nan 8.230 nan 0.000 0.451 850 F N -0.989 118.910 119.950 -0.084 0.000 2.576 850 F HA 0.583 5.109 4.527 -0.002 0.000 0.313 850 F C -0.431 175.460 175.800 0.151 0.000 1.078 850 F CA -0.835 57.057 58.000 -0.180 0.000 0.921 850 F CB 1.815 40.272 39.000 -0.905 0.000 1.232 850 F HN -0.301 nan 8.300 nan 0.000 0.459 851 I N 1.474 122.252 120.570 0.346 0.000 2.465 851 I HA 0.387 4.556 4.170 -0.002 0.000 0.291 851 I C -0.702 175.686 176.117 0.452 0.000 1.014 851 I CA -0.576 60.961 61.300 0.395 0.000 1.093 851 I CB 2.183 40.326 38.000 0.237 0.000 1.267 851 I HN 0.556 nan 8.210 nan 0.000 0.431 852 S N 6.601 122.668 115.700 0.612 0.000 2.498 852 S HA 0.564 5.033 4.470 -0.002 0.000 0.317 852 S C -0.660 174.183 174.600 0.404 0.000 1.090 852 S CA -0.690 57.844 58.200 0.556 0.000 1.089 852 S CB 0.669 64.341 63.200 0.786 0.000 0.997 852 S HN 0.542 nan 8.310 nan 0.000 0.470 853 R N 3.521 124.181 120.500 0.267 0.000 2.387 853 R HA 0.542 4.881 4.340 -0.002 0.000 0.314 853 R C -0.761 175.611 176.300 0.120 0.000 0.958 853 R CA -0.733 55.474 56.100 0.178 0.000 0.846 853 R CB 1.747 32.124 30.300 0.129 0.000 1.147 853 R HN 0.538 nan 8.270 nan 0.000 0.447 854 K N 1.036 121.496 120.400 0.100 0.000 2.435 854 K HA 0.413 4.732 4.320 -0.002 0.000 0.251 854 K C -0.759 175.819 176.600 -0.037 0.000 0.954 854 K CA -0.855 55.421 56.287 -0.019 0.000 0.820 854 K CB 2.616 35.085 32.500 -0.052 0.000 1.292 854 K HN 0.609 nan 8.250 nan 0.000 0.436 855 T N -1.240 113.232 114.554 -0.137 0.000 2.861 855 T HA 0.526 4.875 4.350 -0.002 0.000 0.287 855 T C -1.086 173.496 174.700 -0.197 0.000 1.003 855 T CA -0.748 61.301 62.100 -0.085 0.000 0.977 855 T CB 0.466 69.305 68.868 -0.047 0.000 0.996 855 T HN 0.359 nan 8.240 nan 0.000 0.448 856 Y N 1.073 121.329 120.300 -0.073 0.000 2.328 856 Y HA 0.575 5.124 4.550 -0.002 0.000 0.333 856 Y C 0.570 176.393 175.900 -0.127 0.000 0.958 856 Y CA -1.139 56.930 58.100 -0.053 0.000 1.167 856 Y CB 1.571 40.025 38.460 -0.009 0.000 1.151 856 Y HN 0.608 nan 8.280 nan 0.000 0.470 857 R N 4.395 124.907 120.500 0.021 0.000 2.288 857 R HA 0.609 4.948 4.340 -0.002 0.000 0.326 857 R C -1.448 174.792 176.300 -0.101 0.000 0.959 857 R CA -0.453 55.617 56.100 -0.050 0.000 0.834 857 R CB 0.479 30.756 30.300 -0.038 0.000 1.157 857 R HN 0.757 nan 8.270 nan 0.000 0.470 858 I N 5.259 125.714 120.570 -0.191 0.000 2.312 858 I HA 0.169 4.338 4.170 -0.002 0.000 0.290 858 I C -0.144 175.855 176.117 -0.197 0.000 1.008 858 I CA -0.655 60.451 61.300 -0.324 0.000 1.226 858 I CB 1.273 38.880 38.000 -0.655 0.000 1.371 858 I HN 0.664 nan 8.210 nan 0.000 0.468 859 D N 4.362 124.687 120.400 -0.125 0.000 2.487 859 D HA 0.248 4.887 4.640 -0.002 0.000 0.262 859 D C 1.277 177.569 176.300 -0.014 0.000 1.130 859 D CA -0.783 53.186 54.000 -0.053 0.000 1.038 859 D CB 0.797 41.585 40.800 -0.021 0.000 1.142 859 D HN 0.453 nan 8.370 nan 0.000 0.575 860 G N -1.254 107.553 108.800 0.012 0.000 2.509 860 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.218 860 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.218 860 G C 1.184 176.125 174.900 0.067 0.000 1.124 860 G CA 0.990 46.116 45.100 0.043 0.000 0.776 860 G HN 0.547 nan 8.290 nan 0.000 0.547 861 S N -0.881 114.854 115.700 0.060 0.000 2.562 861 S HA 0.357 4.825 4.470 -0.002 0.000 0.221 861 S C 1.841 176.504 174.600 0.104 0.000 0.975 861 S CA 0.940 59.184 58.200 0.074 0.000 0.918 861 S CB -0.028 63.209 63.200 0.062 0.000 0.772 861 S HN 1.437 nan 8.310 nan 0.000 0.531 862 G N 0.562 109.437 108.800 0.126 0.000 2.157 862 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.248 862 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.248 862 G C -0.219 174.810 174.900 0.214 0.000 0.979 862 G CA 0.006 45.247 45.100 0.234 0.000 0.650 862 G HN 0.602 nan 8.290 nan 0.000 0.529 863 Q N -0.350 119.510 119.800 0.099 0.000 2.243 863 Q HA 0.597 4.936 4.340 -0.002 0.000 0.252 863 Q C 0.123 176.123 176.000 0.000 0.000 0.909 863 Q CA -0.314 55.545 55.803 0.094 0.000 0.922 863 Q CB 1.690 30.482 28.738 0.089 0.000 1.215 863 Q HN 0.450 nan 8.270 nan 0.000 0.427 864 M N 2.168 121.795 119.600 0.046 0.000 2.047 864 M HA 0.440 4.919 4.480 -0.002 0.000 0.342 864 M C -1.208 175.163 176.300 0.118 0.000 1.058 864 M CA -0.454 54.841 55.300 -0.008 0.000 0.991 864 M CB 0.818 33.386 32.600 -0.052 0.000 1.474 864 M HN 0.687 nan 8.290 nan 0.000 0.419 865 A N 6.805 129.665 122.820 0.067 0.000 2.309 865 A HA 0.597 4.916 4.320 -0.002 0.000 0.290 865 A C -0.639 176.969 177.584 0.040 0.000 1.206 865 A CA -0.493 51.588 52.037 0.073 0.000 0.850 865 A CB -0.151 18.877 19.000 0.047 0.000 1.118 865 A HN 0.924 nan 8.150 nan 0.000 0.523 866 I N 2.717 123.303 120.570 0.026 0.000 2.330 866 I HA 0.273 4.442 4.170 -0.002 0.000 0.289 866 I C -0.072 175.938 176.117 -0.177 0.000 1.001 866 I CA -0.103 61.117 61.300 -0.133 0.000 1.193 866 I CB 1.879 39.824 38.000 -0.091 0.000 1.345 866 I HN 0.480 nan 8.210 nan 0.000 0.461 867 T N 5.979 120.399 114.554 -0.222 0.000 2.758 867 T HA 0.515 4.864 4.350 -0.002 0.000 0.285 867 T C -0.182 174.345 174.700 -0.287 0.000 0.981 867 T CA -0.459 61.520 62.100 -0.202 0.000 0.965 867 T CB 1.542 70.384 68.868 -0.043 0.000 0.927 867 T HN 0.199 nan 8.240 nan 0.000 0.448 868 V N 3.988 123.622 119.914 -0.467 0.000 2.487 868 V HA 0.478 4.597 4.120 -0.002 0.000 0.298 868 V C -0.582 175.372 176.094 -0.234 0.000 1.028 868 V CA -0.898 61.137 62.300 -0.440 0.000 0.860 868 V CB 1.959 33.259 31.823 -0.873 0.000 0.991 868 V HN 0.854 nan 8.190 nan 0.000 0.427 869 D N 3.426 123.838 120.400 0.021 0.000 2.549 869 D HA 0.496 5.134 4.640 -0.002 0.000 0.251 869 D C -1.107 175.323 176.300 0.217 0.000 1.153 869 D CA -0.152 53.949 54.000 0.169 0.000 0.861 869 D CB 2.849 43.764 40.800 0.192 0.000 1.207 869 D HN 0.259 nan 8.370 nan 0.000 0.543 870 V N 2.450 122.531 119.914 0.279 0.000 2.495 870 V HA 0.253 4.372 4.120 -0.002 0.000 0.298 870 V C 0.151 176.402 176.094 0.261 0.000 1.031 870 V CA -0.690 61.798 62.300 0.312 0.000 0.871 870 V CB 2.301 34.362 31.823 0.398 0.000 0.988 870 V HN 0.372 nan 8.190 nan 0.000 0.432 871 E N 2.729 123.065 120.200 0.228 0.000 2.191 871 E HA 0.636 4.985 4.350 -0.002 0.000 0.278 871 E C -1.419 175.301 176.600 0.200 0.000 0.972 871 E CA -0.562 55.948 56.400 0.183 0.000 0.804 871 E CB 2.458 32.245 29.700 0.146 0.000 1.110 871 E HN 0.422 nan 8.360 nan 0.000 0.394 872 V N 2.196 122.230 119.914 0.200 0.000 2.483 872 V HA 0.332 4.450 4.120 -0.002 0.000 0.297 872 V C -0.050 176.139 176.094 0.157 0.000 1.027 872 V CA -0.965 61.475 62.300 0.234 0.000 0.855 872 V CB 1.517 33.528 31.823 0.312 0.000 0.995 872 V HN 0.837 nan 8.190 nan 0.000 0.424 873 A N 3.516 126.382 122.820 0.077 0.000 2.566 873 A HA 0.256 4.574 4.320 -0.002 0.000 0.245 873 A C 1.649 179.301 177.584 0.114 0.000 1.056 873 A CA 0.675 52.747 52.037 0.058 0.000 0.757 873 A CB 0.212 19.208 19.000 -0.008 0.000 0.979 873 A HN 1.392 nan 8.150 nan 0.000 0.508 874 S N 1.490 117.255 115.700 0.109 0.000 2.419 874 S HA -0.172 4.297 4.470 -0.002 0.000 0.233 874 S C 1.025 175.702 174.600 0.128 0.000 1.016 874 S CA 1.381 59.665 58.200 0.140 0.000 0.974 874 S CB -0.258 63.004 63.200 0.103 0.000 0.786 874 S HN 0.838 nan 8.310 nan 0.000 0.492 875 D N 0.210 120.660 120.400 0.082 0.000 2.339 875 D HA 0.093 4.732 4.640 -0.002 0.000 0.217 875 D C 0.578 176.907 176.300 0.048 0.000 1.050 875 D CA 0.105 54.136 54.000 0.051 0.000 0.856 875 D CB -0.536 40.284 40.800 0.034 0.000 0.922 875 D HN 0.306 nan 8.370 nan 0.000 0.518 876 T N 2.170 116.776 114.554 0.087 0.000 2.910 876 T HA 0.300 4.649 4.350 -0.002 0.000 0.293 876 T C -2.514 172.282 174.700 0.159 0.000 1.015 876 T CA -1.673 60.507 62.100 0.133 0.000 1.094 876 T CB 1.167 70.129 68.868 0.158 0.000 0.968 876 T HN -0.066 nan 8.240 nan 0.000 0.521 877 P HA 0.051 nan 4.420 nan 0.000 0.264 877 P C -0.424 177.163 177.300 0.479 0.000 1.193 877 P CA -0.176 63.018 63.100 0.157 0.000 0.763 877 P CB 0.179 31.943 31.700 0.107 0.000 0.810 878 H N 3.793 123.212 119.070 0.581 0.000 3.125 878 H HA 0.035 4.590 4.556 -0.002 0.000 0.310 878 H C -1.693 173.947 175.328 0.520 0.000 0.980 878 H CA -1.247 55.084 56.048 0.473 0.000 1.422 878 H CB -0.848 29.134 29.762 0.366 0.000 1.432 878 H HN 0.375 nan 8.280 nan 0.000 0.577 879 P HA 0.064 nan 4.420 nan 0.000 0.274 879 P C 0.382 177.581 177.300 -0.169 0.000 1.231 879 P CA -0.280 62.891 63.100 0.118 0.000 0.790 879 P CB 0.834 32.463 31.700 -0.118 0.000 0.951 880 A N 3.257 125.711 122.820 -0.610 0.000 1.972 880 A HA -0.109 4.209 4.320 -0.002 0.000 0.219 880 A C 1.130 178.325 177.584 -0.649 0.000 1.169 880 A CA 1.371 52.998 52.037 -0.683 0.000 0.635 880 A CB -0.528 17.808 19.000 -1.108 0.000 0.810 880 A HN 0.762 nan 8.150 nan 0.000 0.446 881 R N -2.705 117.442 120.500 -0.588 0.000 2.716 881 R HA 0.710 5.049 4.340 -0.002 0.000 0.271 881 R C -1.957 174.096 176.300 -0.412 0.000 1.028 881 R CA -0.817 54.957 56.100 -0.544 0.000 0.883 881 R CB 0.697 30.622 30.300 -0.625 0.000 1.250 881 R HN 0.003 nan 8.270 nan 0.000 0.465 882 I N 1.325 121.691 120.570 -0.339 0.000 2.476 882 I HA 0.671 4.839 4.170 -0.002 0.000 0.281 882 I C -0.218 175.669 176.117 -0.384 0.000 1.040 882 I CA -0.168 60.961 61.300 -0.286 0.000 1.094 882 I CB 1.977 39.897 38.000 -0.134 0.000 1.219 882 I HN 0.971 nan 8.210 nan 0.000 0.450 883 G N 5.662 114.170 108.800 -0.487 0.000 2.561 883 G HA2 0.738 4.697 3.960 -0.002 0.000 0.310 883 G HA3 0.738 4.697 3.960 -0.002 0.000 0.310 883 G C -1.794 172.915 174.900 -0.318 0.000 1.292 883 G CA -0.632 44.214 45.100 -0.423 0.000 0.811 883 G HN 0.282 nan 8.290 nan 0.000 0.482 884 L N 1.015 122.106 121.223 -0.220 0.000 2.354 884 L HA 0.630 4.969 4.340 -0.002 0.000 0.264 884 L C -0.825 175.932 176.870 -0.189 0.000 1.008 884 L CA -1.153 53.590 54.840 -0.162 0.000 0.819 884 L CB 2.503 44.552 42.059 -0.017 0.000 1.339 884 L HN 0.796 nan 8.230 nan 0.000 0.420 885 N N 0.868 119.481 118.700 -0.144 0.000 2.416 885 N HA 0.726 5.465 4.740 -0.002 0.000 0.276 885 N C -1.181 174.320 175.510 -0.015 0.000 1.261 885 N CA -0.600 52.402 53.050 -0.080 0.000 0.790 885 N CB 2.294 40.762 38.487 -0.031 0.000 1.554 885 N HN 0.814 nan 8.380 nan 0.000 0.481 886 C N -1.393 117.906 119.300 -0.001 0.000 3.311 886 C HA 0.602 5.061 4.460 -0.002 0.000 0.325 886 C C -0.988 173.814 174.990 -0.313 0.000 1.352 886 C CA -0.863 58.107 59.018 -0.081 0.000 1.308 886 C CB 1.077 28.799 27.740 -0.030 0.000 1.619 886 C HN 0.849 nan 8.230 nan 0.000 0.469 887 Q N 1.348 120.748 119.800 -0.666 0.000 2.372 887 Q HA 0.642 4.980 4.340 -0.002 0.000 0.259 887 Q C -1.058 174.654 176.000 -0.480 0.000 0.993 887 Q CA -0.404 54.790 55.803 -1.015 0.000 0.854 887 Q CB 0.839 28.585 28.738 -1.655 0.000 1.231 887 Q HN 0.771 nan 8.270 nan 0.000 0.462 888 L N 2.618 123.659 121.223 -0.303 0.000 2.417 888 L HA 0.259 4.597 4.340 -0.002 0.000 0.268 888 L C 1.191 177.998 176.870 -0.104 0.000 1.158 888 L CA -0.186 54.597 54.840 -0.096 0.000 0.819 888 L CB 0.826 42.934 42.059 0.083 0.000 1.112 888 L HN 0.817 nan 8.230 nan 0.000 0.458 889 A N 2.027 124.816 122.820 -0.052 0.000 1.968 889 A HA -0.107 4.212 4.320 -0.002 0.000 0.217 889 A C 1.137 178.720 177.584 -0.003 0.000 1.169 889 A CA 0.524 52.530 52.037 -0.051 0.000 0.638 889 A CB -0.276 18.692 19.000 -0.053 0.000 0.812 889 A HN 0.790 nan 8.150 nan 0.000 0.446 890 Q N 0.251 120.089 119.800 0.062 0.000 2.332 890 Q HA 0.381 4.720 4.340 -0.002 0.000 0.263 890 Q C -1.136 174.922 176.000 0.097 0.000 0.979 890 Q CA 0.225 56.066 55.803 0.062 0.000 0.885 890 Q CB 0.788 29.579 28.738 0.087 0.000 1.218 890 Q HN 0.140 nan 8.270 nan 0.000 0.405 891 V N 4.132 124.064 119.914 0.030 0.000 2.326 891 V HA 0.718 4.837 4.120 -0.002 0.000 0.281 891 V C -0.278 175.790 176.094 -0.044 0.000 1.015 891 V CA -0.392 61.946 62.300 0.063 0.000 0.823 891 V CB 0.693 32.535 31.823 0.032 0.000 1.009 891 V HN 0.903 nan 8.190 nan 0.000 0.436 892 A N 3.302 126.027 122.820 -0.159 0.000 2.311 892 A HA 0.677 4.996 4.320 -0.002 0.000 0.334 892 A C 0.788 178.346 177.584 -0.044 0.000 1.139 892 A CA -0.485 51.384 52.037 -0.281 0.000 0.830 892 A CB 0.990 19.543 19.000 -0.744 0.000 1.234 892 A HN 0.813 nan 8.150 nan 0.000 0.483 893 E N 0.110 120.292 120.200 -0.031 0.000 2.112 893 E HA -0.046 4.303 4.350 -0.002 0.000 0.190 893 E C 0.127 176.782 176.600 0.091 0.000 0.979 893 E CA 0.704 57.125 56.400 0.035 0.000 0.814 893 E CB 0.126 29.834 29.700 0.013 0.000 0.762 893 E HN 0.434 nan 8.360 nan 0.000 0.460 894 R N 0.479 121.035 120.500 0.094 0.000 2.778 894 R HA 0.494 4.833 4.340 -0.002 0.000 0.277 894 R C -0.701 175.765 176.300 0.276 0.000 0.977 894 R CA -0.808 55.386 56.100 0.156 0.000 0.950 894 R CB 1.841 32.205 30.300 0.107 0.000 1.165 894 R HN -0.159 nan 8.270 nan 0.000 0.474 895 V N 2.224 122.331 119.914 0.321 0.000 2.487 895 V HA 0.350 4.469 4.120 -0.002 0.000 0.298 895 V C -0.156 176.208 176.094 0.451 0.000 1.028 895 V CA -0.915 61.626 62.300 0.401 0.000 0.860 895 V CB 1.806 33.821 31.823 0.320 0.000 0.991 895 V HN 0.638 nan 8.190 nan 0.000 0.427 896 N N 4.683 123.621 118.700 0.397 0.000 2.354 896 N HA 0.491 5.230 4.740 -0.002 0.000 0.287 896 N C -1.362 174.389 175.510 0.401 0.000 1.016 896 N CA -0.434 52.815 53.050 0.332 0.000 0.871 896 N CB 2.417 40.998 38.487 0.155 0.000 1.299 896 N HN 0.815 nan 8.380 nan 0.000 0.482 897 W N 3.498 124.836 121.300 0.063 0.000 3.107 897 W HA 0.585 5.243 4.660 -0.002 0.000 0.331 897 W C -1.987 174.492 176.519 -0.067 0.000 1.204 897 W CA -1.138 56.215 57.345 0.014 0.000 1.184 897 W CB 0.720 30.218 29.460 0.063 0.000 1.421 897 W HN 0.213 nan 8.180 nan 0.000 0.544 898 L N 4.450 125.625 121.223 -0.080 0.000 2.283 898 L HA 0.894 5.233 4.340 -0.002 0.000 0.281 898 L C -0.004 176.615 176.870 -0.418 0.000 1.033 898 L CA 0.289 54.889 54.840 -0.399 0.000 0.848 898 L CB 0.454 42.367 42.059 -0.243 0.000 1.226 898 L HN 0.948 nan 8.230 nan 0.000 0.429 899 G N 3.646 112.066 108.800 -0.633 0.000 2.348 899 G HA2 0.237 4.196 3.960 -0.002 0.000 0.296 899 G HA3 0.237 4.196 3.960 -0.002 0.000 0.296 899 G C -1.604 173.248 174.900 -0.079 0.000 1.258 899 G CA -1.062 43.853 45.100 -0.308 0.000 0.868 899 G HN 0.390 nan 8.290 nan 0.000 0.488 900 L N 1.049 122.375 121.223 0.172 0.000 2.410 900 L HA 0.585 4.924 4.340 -0.002 0.000 0.273 900 L C 1.086 178.071 176.870 0.192 0.000 1.152 900 L CA 0.792 55.732 54.840 0.167 0.000 0.855 900 L CB 0.479 42.589 42.059 0.085 0.000 1.129 900 L HN 1.121 nan 8.230 nan 0.000 0.463 901 G N 2.938 111.671 108.800 -0.112 0.000 2.428 901 G HA2 0.253 4.212 3.960 -0.002 0.000 0.305 901 G HA3 0.253 4.212 3.960 -0.002 0.000 0.305 901 G C -2.708 171.411 174.900 -1.302 0.000 1.260 901 G CA -0.254 44.435 45.100 -0.685 0.000 0.853 901 G HN 0.309 nan 8.290 nan 0.000 0.480 902 P HA 0.063 nan 4.420 nan 0.000 0.227 902 P C 0.443 177.531 177.300 -0.353 0.000 1.161 902 P CA 0.704 63.126 63.100 -1.131 0.000 0.788 902 P CB 0.411 31.564 31.700 -0.912 0.000 0.822 903 Q N 0.506 120.095 119.800 -0.351 0.000 2.317 903 Q HA 0.150 4.489 4.340 -0.002 0.000 0.229 903 Q C 0.361 176.236 176.000 -0.209 0.000 0.984 903 Q CA -0.661 55.012 55.803 -0.216 0.000 0.911 903 Q CB 0.763 29.396 28.738 -0.176 0.000 1.217 903 Q HN 0.141 nan 8.270 nan 0.000 0.501 904 E N 1.622 121.704 120.200 -0.198 0.000 2.708 904 E HA -0.154 4.195 4.350 -0.002 0.000 0.260 904 E C -1.135 175.367 176.600 -0.165 0.000 0.937 904 E CA 0.376 56.647 56.400 -0.215 0.000 0.953 904 E CB 0.185 29.820 29.700 -0.108 0.000 0.915 904 E HN 0.590 nan 8.360 nan 0.000 0.487 905 N N 2.938 121.460 118.700 -0.296 0.000 2.308 905 N HA 0.337 5.076 4.740 -0.002 0.000 0.283 905 N C -1.865 173.387 175.510 -0.430 0.000 1.105 905 N CA -0.680 52.246 53.050 -0.206 0.000 0.840 905 N CB 0.772 39.168 38.487 -0.152 0.000 1.633 905 N HN 0.245 nan 8.380 nan 0.000 0.476 906 Y N 0.006 120.211 120.300 -0.158 0.000 2.598 906 Y HA 0.489 5.038 4.550 -0.002 0.000 0.340 906 Y C -1.647 174.171 175.900 -0.136 0.000 1.038 906 Y CA -2.055 55.939 58.100 -0.177 0.000 1.100 906 Y CB 2.131 40.486 38.460 -0.175 0.000 1.281 906 Y HN 0.455 nan 8.280 nan 0.000 0.488 907 P HA -0.183 nan 4.420 nan 0.000 0.216 907 P C 0.389 177.548 177.300 -0.234 0.000 1.150 907 P CA 2.099 65.227 63.100 0.047 0.000 0.843 907 P CB 0.205 32.038 31.700 0.222 0.000 0.787 908 D N -2.355 117.694 120.400 -0.586 0.000 2.342 908 D HA 0.005 4.644 4.640 -0.002 0.000 0.221 908 D C 0.664 176.800 176.300 -0.273 0.000 1.101 908 D CA 0.075 53.529 54.000 -0.910 0.000 0.837 908 D CB -0.256 39.789 40.800 -1.258 0.000 0.938 908 D HN 0.105 nan 8.370 nan 0.000 0.508 909 R N 1.050 121.492 120.500 -0.097 0.000 2.754 909 R HA 0.205 4.544 4.340 -0.002 0.000 0.255 909 R C -0.622 175.702 176.300 0.040 0.000 1.723 909 R CA -0.171 55.940 56.100 0.018 0.000 1.596 909 R CB 0.118 30.439 30.300 0.035 0.000 1.424 909 R HN 0.117 nan 8.270 nan 0.000 0.662 910 L N -1.451 119.802 121.223 0.049 0.000 3.360 910 L HA 0.315 4.654 4.340 -0.002 0.000 0.303 910 L C 1.371 178.286 176.870 0.076 0.000 1.218 910 L CA 0.224 55.090 54.840 0.044 0.000 1.059 910 L CB 0.075 42.150 42.059 0.027 0.000 1.468 910 L HN 0.116 nan 8.230 nan 0.000 0.614 911 T N -2.283 112.344 114.554 0.121 0.000 2.833 911 T HA -0.043 4.306 4.350 -0.002 0.000 0.269 911 T C 1.845 176.558 174.700 0.022 0.000 1.054 911 T CA 1.474 63.668 62.100 0.157 0.000 1.135 911 T CB -0.437 68.590 68.868 0.264 0.000 0.869 911 T HN 0.398 nan 8.240 nan 0.000 0.466 912 A N 2.021 124.867 122.820 0.044 0.000 1.969 912 A HA 0.572 4.890 4.320 -0.002 0.000 0.218 912 A C 1.729 179.379 177.584 0.110 0.000 1.169 912 A CA 0.744 52.784 52.037 0.005 0.000 0.635 912 A CB -1.138 17.996 19.000 0.223 0.000 0.810 912 A HN 0.887 nan 8.150 nan 0.000 0.445 913 A N -1.175 121.659 122.820 0.022 0.000 2.445 913 A HA 0.422 4.741 4.320 -0.002 0.000 0.242 913 A C 0.037 177.630 177.584 0.015 0.000 1.075 913 A CA 0.049 52.063 52.037 -0.038 0.000 0.777 913 A CB -0.188 18.779 19.000 -0.055 0.000 1.013 913 A HN 0.527 nan 8.150 nan 0.000 0.493 914 C N 0.756 120.070 119.300 0.024 0.000 2.507 914 C HA 0.513 4.972 4.460 -0.002 0.000 0.319 914 C C -0.064 175.022 174.990 0.160 0.000 1.208 914 C CA -0.515 58.569 59.018 0.109 0.000 1.619 914 C CB 0.637 28.456 27.740 0.132 0.000 2.230 914 C HN 0.791 nan 8.230 nan 0.000 0.492 915 F N 3.861 123.634 119.950 -0.294 0.000 2.472 915 F HA 0.438 4.963 4.527 -0.002 0.000 0.364 915 F C 0.440 175.865 175.800 -0.625 0.000 1.090 915 F CA 1.376 59.028 58.000 -0.581 0.000 1.188 915 F CB -0.024 38.097 39.000 -1.466 0.000 1.105 915 F HN 0.618 nan 8.300 nan 0.000 0.536 916 D N 3.222 123.033 120.400 -0.982 0.000 2.809 916 D HA 0.147 4.786 4.640 -0.002 0.000 0.336 916 D C -1.663 173.745 176.300 -1.487 0.000 1.367 916 D CA -0.758 52.546 54.000 -1.159 0.000 0.815 916 D CB 1.369 41.360 40.800 -1.348 0.000 1.381 916 D HN 0.428 nan 8.370 nan 0.000 0.471 917 R N 0.866 120.624 120.500 -1.236 0.000 2.210 917 R HA 0.460 4.799 4.340 -0.002 0.000 0.338 917 R C -1.339 174.269 176.300 -1.154 0.000 1.062 917 R CA -0.073 55.445 56.100 -0.970 0.000 0.902 917 R CB -0.009 29.963 30.300 -0.547 0.000 1.050 917 R HN 0.268 nan 8.270 nan 0.000 0.461 918 W N 2.984 123.779 121.300 -0.841 0.000 2.627 918 W HA 0.393 5.052 4.660 -0.001 0.000 0.339 918 W C -0.388 175.757 176.519 -0.624 0.000 1.058 918 W CA -0.766 56.020 57.345 -0.931 0.000 1.223 918 W CB 1.723 30.156 29.460 -1.711 0.000 1.389 918 W HN 0.378 nan 8.180 nan 0.000 0.541 919 D N 3.315 123.684 120.400 -0.051 0.000 2.479 919 D HA 0.419 5.058 4.640 -0.002 0.000 0.246 919 D C -1.519 174.874 176.300 0.155 0.000 1.336 919 D CA -0.160 53.890 54.000 0.083 0.000 0.967 919 D CB 0.968 41.784 40.800 0.026 0.000 1.275 919 D HN 0.366 nan 8.370 nan 0.000 0.577 920 L N 3.614 125.001 121.223 0.274 0.000 2.354 920 L HA 0.562 4.901 4.340 -0.002 0.000 0.264 920 L C -2.187 174.800 176.870 0.194 0.000 1.008 920 L CA -2.095 52.881 54.840 0.226 0.000 0.819 920 L CB 2.732 44.962 42.059 0.285 0.000 1.339 920 L HN 0.180 nan 8.230 nan 0.000 0.420 921 P HA -0.023 nan 4.420 nan 0.000 0.269 921 P C 0.590 177.968 177.300 0.130 0.000 1.209 921 P CA -0.321 62.849 63.100 0.117 0.000 0.776 921 P CB 1.056 32.804 31.700 0.079 0.000 0.876 922 L N 3.605 124.912 121.223 0.140 0.000 2.043 922 L HA -0.253 4.086 4.340 -0.002 0.000 0.212 922 L C 2.422 179.348 176.870 0.094 0.000 1.075 922 L CA 2.776 57.694 54.840 0.131 0.000 0.752 922 L CB -1.516 40.635 42.059 0.154 0.000 0.891 922 L HN 0.484 nan 8.230 nan 0.000 0.432 923 S N -1.770 113.984 115.700 0.090 0.000 2.419 923 S HA -0.193 4.276 4.470 -0.002 0.000 0.235 923 S C 1.628 176.296 174.600 0.115 0.000 1.019 923 S CA 1.233 59.500 58.200 0.111 0.000 0.982 923 S CB -0.790 62.464 63.200 0.089 0.000 0.789 923 S HN 0.534 nan 8.310 nan 0.000 0.490 924 D N 1.091 121.534 120.400 0.072 0.000 2.348 924 D HA 0.094 4.733 4.640 -0.002 0.000 0.216 924 D C 1.299 177.596 176.300 -0.004 0.000 0.970 924 D CA 0.648 54.666 54.000 0.029 0.000 0.889 924 D CB -0.149 40.676 40.800 0.042 0.000 0.912 924 D HN 0.384 nan 8.370 nan 0.000 0.524 925 M N -0.505 119.106 119.600 0.018 0.000 2.561 925 M HA 0.062 4.541 4.480 -0.002 0.000 0.238 925 M C -0.077 176.222 176.300 -0.001 0.000 1.131 925 M CA -0.023 55.242 55.300 -0.058 0.000 1.046 925 M CB -0.783 31.778 32.600 -0.066 0.000 1.532 925 M HN -0.048 nan 8.290 nan 0.000 0.497 926 Y N 0.191 120.446 120.300 -0.075 0.000 2.350 926 Y HA 0.472 5.021 4.550 -0.002 0.000 0.338 926 Y C -0.692 175.140 175.900 -0.114 0.000 0.961 926 Y CA -0.915 57.154 58.100 -0.051 0.000 1.100 926 Y CB 1.233 39.730 38.460 0.062 0.000 1.179 926 Y HN -0.125 nan 8.280 nan 0.000 0.454 927 T N 9.220 123.320 114.554 -0.757 0.000 2.733 927 T HA 0.268 4.617 4.350 -0.002 0.000 0.294 927 T C -2.628 171.285 174.700 -1.312 0.000 0.956 927 T CA -1.462 60.089 62.100 -0.916 0.000 0.987 927 T CB 0.955 69.347 68.868 -0.794 0.000 0.920 927 T HN 0.464 nan 8.240 nan 0.000 0.470 928 P HA 0.123 nan 4.420 nan 0.000 0.226 928 P C -0.679 176.439 177.300 -0.303 0.000 1.783 928 P CA -0.445 62.215 63.100 -0.733 0.000 0.980 928 P CB -0.718 30.692 31.700 -0.482 0.000 1.967 929 Y N -0.208 120.016 120.300 -0.126 0.000 2.717 929 Y HA -0.095 4.453 4.550 -0.002 0.000 0.330 929 Y C 2.273 178.230 175.900 0.096 0.000 1.217 929 Y CA -0.527 57.590 58.100 0.028 0.000 1.506 929 Y CB 0.471 38.904 38.460 -0.044 0.000 1.268 929 Y HN -0.068 nan 8.280 nan 0.000 0.561 930 V N 3.319 123.460 119.914 0.378 0.000 2.332 930 V HA -0.314 3.805 4.120 -0.002 0.000 0.248 930 V C 0.596 176.870 176.094 0.300 0.000 1.055 930 V CA 1.401 63.900 62.300 0.330 0.000 1.038 930 V CB -0.564 31.484 31.823 0.376 0.000 0.651 930 V HN 0.577 nan 8.190 nan 0.000 0.450 931 F N 3.057 123.065 119.950 0.096 0.000 2.350 931 F HA 0.475 5.001 4.527 -0.002 0.000 0.365 931 F C -2.360 173.451 175.800 0.019 0.000 1.122 931 F CA -3.531 54.469 58.000 0.001 0.000 1.139 931 F CB 0.579 39.503 39.000 -0.127 0.000 1.220 931 F HN 0.015 nan 8.300 nan 0.000 0.499 932 P HA 0.183 nan 4.420 nan 0.000 0.268 932 P C -0.994 176.109 177.300 -0.328 0.000 1.205 932 P CA 0.202 63.144 63.100 -0.263 0.000 0.771 932 P CB 1.018 32.544 31.700 -0.289 0.000 0.858 933 S N 0.369 116.005 115.700 -0.106 0.000 2.672 933 S HA 0.457 4.926 4.470 -0.002 0.000 0.271 933 S C -0.783 173.817 174.600 -0.000 0.000 1.171 933 S CA -0.973 57.184 58.200 -0.070 0.000 0.817 933 S CB 0.554 63.722 63.200 -0.052 0.000 1.150 933 S HN 0.302 nan 8.310 nan 0.000 0.478 934 E N 1.234 121.440 120.200 0.009 0.000 2.652 934 E HA 0.301 4.650 4.350 -0.002 0.000 0.255 934 E C -0.245 176.415 176.600 0.099 0.000 0.952 934 E CA 0.862 57.295 56.400 0.054 0.000 0.947 934 E CB -0.420 29.332 29.700 0.087 0.000 0.912 934 E HN 0.755 nan 8.360 nan 0.000 0.489 935 N N 1.839 120.629 118.700 0.149 0.000 2.823 935 N HA 0.522 5.261 4.740 -0.002 0.000 0.251 935 N C 0.151 175.707 175.510 0.076 0.000 1.392 935 N CA -0.558 52.613 53.050 0.202 0.000 0.864 935 N CB 1.214 39.804 38.487 0.171 0.000 1.481 935 N HN 0.652 nan 8.380 nan 0.000 0.508 936 G N -1.004 107.800 108.800 0.006 0.000 2.148 936 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.254 936 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.254 936 G C -0.261 174.368 174.900 -0.451 0.000 0.981 936 G CA 0.349 45.328 45.100 -0.201 0.000 0.670 936 G HN 0.704 nan 8.290 nan 0.000 0.528 937 L N 0.894 121.768 121.223 -0.583 0.000 2.514 937 L HA 0.494 4.833 4.340 -0.002 0.000 0.280 937 L C 0.559 176.839 176.870 -0.984 0.000 1.223 937 L CA 0.292 54.563 54.840 -0.948 0.000 0.864 937 L CB 0.387 41.603 42.059 -1.405 0.000 1.118 937 L HN 0.223 nan 8.230 nan 0.000 0.494 938 R N 3.809 123.633 120.500 -1.126 0.000 2.480 938 R HA 0.442 4.781 4.340 -0.002 0.000 0.306 938 R C -0.802 175.124 176.300 -0.623 0.000 0.958 938 R CA -0.556 55.011 56.100 -0.889 0.000 0.861 938 R CB 0.855 30.462 30.300 -1.156 0.000 1.171 938 R HN 0.630 nan 8.270 nan 0.000 0.445 939 C N -0.339 118.746 119.300 -0.357 0.000 2.328 939 C HA 0.616 5.075 4.460 -0.002 0.000 0.378 939 C C 1.452 176.404 174.990 -0.064 0.000 1.249 939 C CA 0.295 59.189 59.018 -0.208 0.000 2.204 939 C CB 0.950 28.597 27.740 -0.154 0.000 2.218 939 C HN 1.036 nan 8.230 nan 0.000 0.564 940 G N 1.722 110.508 108.800 -0.023 0.000 2.341 940 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.292 940 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.292 940 G C -0.028 174.924 174.900 0.086 0.000 1.021 940 G CA 0.604 45.749 45.100 0.076 0.000 0.905 940 G HN 0.805 nan 8.290 nan 0.000 0.508 941 T N 0.163 114.633 114.554 -0.141 0.000 2.771 941 T HA 0.484 4.833 4.350 -0.002 0.000 0.291 941 T C 1.374 175.758 174.700 -0.527 0.000 0.954 941 T CA -0.583 61.362 62.100 -0.259 0.000 1.045 941 T CB 1.295 70.011 68.868 -0.253 0.000 0.917 941 T HN 0.233 nan 8.240 nan 0.000 0.484 942 R N 1.678 122.092 120.500 -0.145 0.000 2.282 942 R HA 0.276 4.615 4.340 -0.002 0.000 0.195 942 R C 0.550 176.901 176.300 0.085 0.000 0.909 942 R CA 0.217 56.321 56.100 0.006 0.000 1.039 942 R CB 0.432 30.864 30.300 0.221 0.000 1.015 942 R HN 0.680 nan 8.270 nan 0.000 0.513 943 E N 0.552 120.792 120.200 0.067 0.000 2.321 943 E HA 0.297 4.646 4.350 -0.002 0.000 0.281 943 E C -1.870 174.862 176.600 0.221 0.000 0.910 943 E CA -0.636 55.883 56.400 0.200 0.000 0.770 943 E CB 1.527 31.312 29.700 0.140 0.000 1.225 943 E HN -0.092 nan 8.360 nan 0.000 0.417 944 L N 4.127 125.547 121.223 0.327 0.000 2.385 944 L HA 0.589 4.927 4.340 -0.002 0.000 0.273 944 L C -1.787 175.272 176.870 0.314 0.000 0.990 944 L CA -0.420 54.554 54.840 0.224 0.000 0.821 944 L CB 1.731 43.790 42.059 -0.001 0.000 1.279 944 L HN 0.458 nan 8.230 nan 0.000 0.412 945 N N 4.500 123.357 118.700 0.261 0.000 2.354 945 N HA 0.395 5.134 4.740 -0.002 0.000 0.287 945 N C -1.958 173.769 175.510 0.362 0.000 1.016 945 N CA -0.247 52.952 53.050 0.247 0.000 0.871 945 N CB 2.159 40.734 38.487 0.148 0.000 1.299 945 N HN 0.608 nan 8.380 nan 0.000 0.482 946 Y N 1.196 121.628 120.300 0.220 0.000 2.307 946 Y HA 0.391 4.940 4.550 -0.002 0.000 0.323 946 Y C 0.699 176.697 175.900 0.162 0.000 1.100 946 Y CA 0.142 58.373 58.100 0.219 0.000 1.140 946 Y CB 0.579 39.228 38.460 0.315 0.000 1.159 946 Y HN 0.849 nan 8.280 nan 0.000 0.436 947 G N 6.420 115.047 108.800 -0.289 0.000 2.622 947 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.307 947 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.307 947 G C -1.617 173.179 174.900 -0.174 0.000 1.226 947 G CA 0.247 45.188 45.100 -0.265 0.000 0.997 947 G HN 0.598 nan 8.290 nan 0.000 0.551 948 P HA 0.160 nan 4.420 nan 0.000 0.245 948 P C 0.183 177.287 177.300 -0.327 0.000 1.206 948 P CA 0.677 63.597 63.100 -0.300 0.000 0.781 948 P CB 0.045 31.518 31.700 -0.377 0.000 0.994 949 H N 0.556 119.558 119.070 -0.114 0.000 2.487 949 H HA 0.415 4.970 4.556 -0.002 0.000 0.333 949 H C -0.072 174.965 175.328 -0.484 0.000 1.114 949 H CA 0.041 55.886 56.048 -0.338 0.000 1.310 949 H CB 1.532 30.933 29.762 -0.603 0.000 1.462 949 H HN 0.111 nan 8.280 nan 0.000 0.516 950 Q N 3.055 122.597 119.800 -0.432 0.000 2.304 950 Q HA 0.224 4.563 4.340 -0.002 0.000 0.270 950 Q C -1.444 174.278 176.000 -0.462 0.000 1.035 950 Q CA -0.727 54.899 55.803 -0.295 0.000 0.781 950 Q CB 1.809 30.516 28.738 -0.051 0.000 1.261 950 Q HN 0.578 nan 8.270 nan 0.000 0.444 951 W N 4.122 125.371 121.300 -0.084 0.000 2.529 951 W HA 0.567 5.227 4.660 -0.001 0.000 0.321 951 W C -0.096 176.487 176.519 0.107 0.000 1.047 951 W CA -0.734 56.525 57.345 -0.142 0.000 1.216 951 W CB 1.693 30.863 29.460 -0.483 0.000 1.357 951 W HN 0.485 nan 8.180 nan 0.000 0.489 952 R N 0.813 121.523 120.500 0.351 0.000 2.750 952 R HA 0.763 5.102 4.340 -0.002 0.000 0.281 952 R C 0.190 176.745 176.300 0.426 0.000 0.972 952 R CA -0.463 55.874 56.100 0.394 0.000 0.912 952 R CB 2.390 32.837 30.300 0.244 0.000 1.187 952 R HN 0.763 nan 8.270 nan 0.000 0.464 953 G N 0.815 109.894 108.800 0.465 0.000 2.564 953 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.139 953 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.139 953 G C -1.793 173.293 174.900 0.310 0.000 1.147 953 G CA -0.364 44.977 45.100 0.403 0.000 1.031 953 G HN 0.491 nan 8.290 nan 0.000 0.482 954 D N 0.043 120.633 120.400 0.317 0.000 2.328 954 D HA 0.597 5.235 4.640 -0.002 0.000 0.243 954 D C -0.777 175.578 176.300 0.092 0.000 1.324 954 D CA -0.461 53.604 54.000 0.109 0.000 0.966 954 D CB 0.237 41.105 40.800 0.113 0.000 1.324 954 D HN 0.610 nan 8.370 nan 0.000 0.549 955 F N -0.036 119.910 119.950 -0.008 0.000 2.692 955 F HA 0.716 5.242 4.527 -0.002 0.000 0.320 955 F C -1.176 174.580 175.800 -0.074 0.000 1.123 955 F CA -1.042 56.893 58.000 -0.109 0.000 0.961 955 F CB 0.908 39.842 39.000 -0.110 0.000 1.383 955 F HN -0.148 nan 8.300 nan 0.000 0.483 956 Q N 1.974 121.835 119.800 0.102 0.000 2.306 956 Q HA 0.614 4.953 4.340 -0.002 0.000 0.265 956 Q C -1.275 174.789 176.000 0.108 0.000 1.022 956 Q CA -0.522 55.260 55.803 -0.034 0.000 0.853 956 Q CB 2.597 31.221 28.738 -0.190 0.000 1.327 956 Q HN 0.845 nan 8.270 nan 0.000 0.449 957 F N -0.731 119.106 119.950 -0.188 0.000 2.631 957 F HA 0.743 5.269 4.527 -0.001 0.000 0.308 957 F C -1.335 174.253 175.800 -0.354 0.000 1.097 957 F CA -1.061 56.795 58.000 -0.239 0.000 0.952 957 F CB 1.625 40.525 39.000 -0.167 0.000 1.307 957 F HN 0.566 nan 8.300 nan 0.000 0.450 958 N N 2.180 120.723 118.700 -0.261 0.000 2.321 958 N HA 0.757 5.495 4.740 -0.002 0.000 0.290 958 N C -2.042 173.414 175.510 -0.091 0.000 1.212 958 N CA -0.839 52.035 53.050 -0.293 0.000 0.767 958 N CB 2.661 40.984 38.487 -0.273 0.000 1.494 958 N HN 1.095 nan 8.380 nan 0.000 0.479 959 I N 0.266 120.774 120.570 -0.104 0.000 2.627 959 I HA 0.609 4.777 4.170 -0.002 0.000 0.288 959 I C -1.479 174.569 176.117 -0.114 0.000 1.202 959 I CA 0.080 61.290 61.300 -0.150 0.000 1.050 959 I CB 1.159 39.000 38.000 -0.265 0.000 1.264 959 I HN 1.032 nan 8.210 nan 0.000 0.429 960 S N 6.179 121.827 115.700 -0.087 0.000 2.661 960 S HA 0.539 5.008 4.470 -0.002 0.000 0.268 960 S C -0.125 174.395 174.600 -0.135 0.000 1.162 960 S CA -0.998 57.159 58.200 -0.073 0.000 0.817 960 S CB 1.819 65.055 63.200 0.059 0.000 1.141 960 S HN 0.609 nan 8.310 nan 0.000 0.477 961 R N -0.177 120.082 120.500 -0.403 0.000 2.320 961 R HA 0.235 4.574 4.340 -0.002 0.000 0.211 961 R C -0.877 175.070 176.300 -0.589 0.000 0.931 961 R CA 0.326 56.122 56.100 -0.506 0.000 1.071 961 R CB -0.927 28.958 30.300 -0.692 0.000 1.025 961 R HN 0.662 nan 8.270 nan 0.000 0.495 962 Y N 0.139 120.406 120.300 -0.054 0.000 2.350 962 Y HA 0.221 4.770 4.550 -0.002 0.000 0.338 962 Y C 0.664 176.365 175.900 -0.332 0.000 0.961 962 Y CA -1.141 56.844 58.100 -0.190 0.000 1.100 962 Y CB 1.441 39.737 38.460 -0.272 0.000 1.179 962 Y HN -0.105 nan 8.280 nan 0.000 0.454 963 S N 1.651 117.022 115.700 -0.549 0.000 2.603 963 S HA 0.073 4.542 4.470 -0.002 0.000 0.268 963 S C 0.879 175.149 174.600 -0.551 0.000 1.317 963 S CA -0.788 56.740 58.200 -1.120 0.000 1.012 963 S CB 1.223 63.488 63.200 -1.558 0.000 0.926 963 S HN 0.725 nan 8.310 nan 0.000 0.539 964 Q N 0.843 120.338 119.800 -0.509 0.000 2.135 964 Q HA -0.220 4.119 4.340 -0.002 0.000 0.204 964 Q C 2.182 178.037 176.000 -0.241 0.000 0.981 964 Q CA 1.907 57.542 55.803 -0.280 0.000 0.856 964 Q CB -0.552 28.054 28.738 -0.220 0.000 0.902 964 Q HN 0.968 nan 8.270 nan 0.000 0.425 965 Q N 0.598 120.216 119.800 -0.304 0.000 2.030 965 Q HA -0.225 4.114 4.340 -0.002 0.000 0.204 965 Q C 2.173 178.061 176.000 -0.187 0.000 0.986 965 Q CA 1.639 57.318 55.803 -0.207 0.000 0.843 965 Q CB 0.001 28.620 28.738 -0.199 0.000 0.904 965 Q HN 0.406 nan 8.270 nan 0.000 0.420 966 Q N -0.032 119.632 119.800 -0.228 0.000 2.050 966 Q HA -0.175 4.164 4.340 -0.002 0.000 0.202 966 Q C 2.229 178.108 176.000 -0.202 0.000 0.980 966 Q CA 1.404 57.090 55.803 -0.195 0.000 0.840 966 Q CB -0.096 28.504 28.738 -0.229 0.000 0.898 966 Q HN 0.479 nan 8.270 nan 0.000 0.424 967 L N 0.167 121.264 121.223 -0.209 0.000 2.042 967 L HA -0.229 4.109 4.340 -0.002 0.000 0.210 967 L C 2.710 179.440 176.870 -0.232 0.000 1.076 967 L CA 1.368 56.080 54.840 -0.213 0.000 0.749 967 L CB -0.407 41.558 42.059 -0.156 0.000 0.893 967 L HN 0.401 nan 8.230 nan 0.000 0.432 968 M N -0.502 118.988 119.600 -0.184 0.000 2.229 968 M HA -0.182 4.297 4.480 -0.002 0.000 0.264 968 M C 1.691 177.896 176.300 -0.159 0.000 1.063 968 M CA 1.720 56.921 55.300 -0.164 0.000 1.114 968 M CB 0.122 32.642 32.600 -0.133 0.000 1.387 968 M HN 0.184 nan 8.290 nan 0.000 0.420 969 E N -0.764 119.350 120.200 -0.143 0.000 2.472 969 E HA 0.066 4.415 4.350 -0.002 0.000 0.196 969 E C -0.356 176.188 176.600 -0.093 0.000 1.033 969 E CA 0.098 56.439 56.400 -0.097 0.000 0.886 969 E CB 0.591 30.248 29.700 -0.071 0.000 0.944 969 E HN 0.326 nan 8.360 nan 0.000 0.492 970 T N 0.492 114.956 114.554 -0.151 0.000 2.767 970 T HA 0.081 4.429 4.350 -0.002 0.000 0.284 970 T C 1.200 175.797 174.700 -0.172 0.000 0.973 970 T CA -0.370 61.648 62.100 -0.138 0.000 0.996 970 T CB 1.657 70.423 68.868 -0.170 0.000 0.927 970 T HN 0.044 nan 8.240 nan 0.000 0.456 971 S N 2.529 118.219 115.700 -0.016 0.000 2.395 971 S HA -0.015 4.454 4.470 -0.002 0.000 0.225 971 S C 0.397 175.025 174.600 0.047 0.000 1.027 971 S CA 0.565 58.824 58.200 0.099 0.000 0.965 971 S CB -0.323 63.080 63.200 0.338 0.000 0.812 971 S HN 0.756 nan 8.310 nan 0.000 0.482 972 H N 0.432 119.535 119.070 0.055 0.000 2.622 972 H HA 0.571 5.125 4.556 -0.002 0.000 0.363 972 H C 1.106 176.443 175.328 0.014 0.000 1.151 972 H CA -0.710 55.428 56.048 0.149 0.000 1.184 972 H CB 1.464 31.363 29.762 0.228 0.000 1.643 972 H HN 0.199 nan 8.280 nan 0.000 0.531 973 R N 1.266 121.893 120.500 0.212 0.000 2.120 973 R HA -0.152 4.187 4.340 -0.002 0.000 0.234 973 R C 1.273 177.603 176.300 0.050 0.000 1.123 973 R CA 1.791 57.941 56.100 0.084 0.000 0.975 973 R CB -0.417 29.956 30.300 0.122 0.000 0.866 973 R HN 0.775 nan 8.270 nan 0.000 0.446 974 H N 1.078 120.163 119.070 0.025 0.000 2.524 974 H HA 0.057 4.612 4.556 -0.002 0.000 0.282 974 H C 1.493 176.759 175.328 -0.104 0.000 1.016 974 H CA 0.706 56.731 56.048 -0.037 0.000 1.270 974 H CB -0.083 29.660 29.762 -0.032 0.000 1.394 974 H HN 0.302 nan 8.280 nan 0.000 0.568 975 L N 0.940 121.776 121.223 -0.645 0.000 2.591 975 L HA 0.181 4.520 4.340 -0.002 0.000 0.228 975 L C 0.676 177.424 176.870 -0.204 0.000 1.133 975 L CA -0.122 54.416 54.840 -0.504 0.000 0.880 975 L CB 0.057 41.815 42.059 -0.503 0.000 1.033 975 L HN 0.056 nan 8.230 nan 0.000 0.450 976 L N 1.286 122.394 121.223 -0.192 0.000 2.416 976 L HA 0.095 4.434 4.340 -0.002 0.000 0.272 976 L C 0.222 177.086 176.870 -0.010 0.000 1.161 976 L CA -0.065 54.658 54.840 -0.196 0.000 0.845 976 L CB 0.267 42.054 42.059 -0.454 0.000 1.119 976 L HN 0.199 nan 8.230 nan 0.000 0.464 977 H N 2.242 121.351 119.070 0.064 0.000 2.495 977 H HA 0.578 5.133 4.556 -0.002 0.000 0.348 977 H C -0.593 174.830 175.328 0.158 0.000 1.113 977 H CA -1.268 54.835 56.048 0.092 0.000 1.195 977 H CB 1.271 31.044 29.762 0.019 0.000 1.521 977 H HN 0.656 nan 8.280 nan 0.000 0.509 978 A N 3.826 126.712 122.820 0.110 0.000 2.524 978 A HA 0.081 4.399 4.320 -0.002 0.000 0.250 978 A C 0.397 177.972 177.584 -0.015 0.000 1.078 978 A CA -0.204 51.737 52.037 -0.160 0.000 0.761 978 A CB -0.184 18.711 19.000 -0.175 0.000 1.012 978 A HN 0.851 nan 8.150 nan 0.000 0.500 979 E N 1.175 121.342 120.200 -0.055 0.000 2.342 979 E HA 0.182 4.531 4.350 -0.002 0.000 0.257 979 E C 0.032 176.647 176.600 0.025 0.000 1.150 979 E CA -0.579 55.875 56.400 0.090 0.000 0.926 979 E CB 0.732 30.566 29.700 0.223 0.000 1.074 979 E HN 0.796 nan 8.360 nan 0.000 0.449 980 E N 0.333 120.553 120.200 0.034 0.000 2.414 980 E HA 0.159 4.508 4.350 -0.002 0.000 0.263 980 E C 0.411 176.960 176.600 -0.085 0.000 1.000 980 E CA 0.612 56.998 56.400 -0.023 0.000 0.914 980 E CB 0.350 30.038 29.700 -0.021 0.000 0.948 980 E HN 0.670 nan 8.360 nan 0.000 0.444 981 G N 3.082 111.835 108.800 -0.078 0.000 2.601 981 G HA2 -0.251 3.707 3.960 -0.002 0.000 0.261 981 G HA3 -0.251 3.707 3.960 -0.002 0.000 0.261 981 G C -0.581 174.254 174.900 -0.108 0.000 1.289 981 G CA -0.031 45.013 45.100 -0.093 0.000 0.920 981 G HN 0.625 nan 8.290 nan 0.000 0.571 982 T N 0.123 114.598 114.554 -0.133 0.000 2.881 982 T HA 0.482 4.831 4.350 -0.002 0.000 0.291 982 T C -0.689 173.873 174.700 -0.229 0.000 0.990 982 T CA -0.190 61.836 62.100 -0.123 0.000 0.976 982 T CB 1.319 70.167 68.868 -0.034 0.000 0.970 982 T HN 0.563 nan 8.240 nan 0.000 0.438 983 W N 3.328 124.530 121.300 -0.163 0.000 2.356 983 W HA 0.534 5.193 4.660 -0.002 0.000 0.311 983 W C -0.140 176.244 176.519 -0.225 0.000 1.328 983 W CA -0.650 56.596 57.345 -0.165 0.000 1.251 983 W CB 0.528 29.906 29.460 -0.138 0.000 1.280 983 W HN 0.388 nan 8.180 nan 0.000 0.524 984 L N 5.903 127.099 121.223 -0.044 0.000 2.325 984 L HA 0.484 4.823 4.340 -0.002 0.000 0.281 984 L C -0.886 175.873 176.870 -0.185 0.000 1.004 984 L CA -0.466 54.235 54.840 -0.232 0.000 0.823 984 L CB 0.743 42.509 42.059 -0.489 0.000 1.236 984 L HN 0.302 nan 8.230 nan 0.000 0.415 985 N N 7.050 125.641 118.700 -0.181 0.000 2.476 985 N HA 0.439 5.178 4.740 -0.002 0.000 0.257 985 N C -1.069 174.299 175.510 -0.236 0.000 0.970 985 N CA -0.184 52.757 53.050 -0.182 0.000 0.938 985 N CB 1.946 40.357 38.487 -0.127 0.000 1.144 985 N HN 0.567 nan 8.380 nan 0.000 0.500 986 I N 1.792 122.170 120.570 -0.320 0.000 2.339 986 I HA 0.215 4.384 4.170 -0.002 0.000 0.290 986 I C -0.470 175.458 176.117 -0.315 0.000 0.994 986 I CA -0.638 60.447 61.300 -0.359 0.000 1.191 986 I CB 1.269 38.879 38.000 -0.650 0.000 1.343 986 I HN 0.141 nan 8.210 nan 0.000 0.458 987 D N 4.900 125.151 120.400 -0.247 0.000 2.278 987 D HA 0.244 4.882 4.640 -0.002 0.000 0.245 987 D C 0.949 176.957 176.300 -0.486 0.000 1.052 987 D CA -0.279 53.514 54.000 -0.346 0.000 0.834 987 D CB 2.373 43.076 40.800 -0.161 0.000 1.194 987 D HN 0.694 nan 8.370 nan 0.000 0.481 988 G N 1.268 109.472 108.800 -0.993 0.000 2.403 988 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.216 988 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.216 988 G C 0.116 174.328 174.900 -1.147 0.000 1.154 988 G CA 0.587 45.005 45.100 -1.137 0.000 0.784 988 G HN 0.388 nan 8.290 nan 0.000 0.538 989 F N -1.973 117.791 119.950 -0.311 0.000 2.608 989 F HA 0.569 5.095 4.527 -0.002 0.000 0.309 989 F C -0.582 175.115 175.800 -0.171 0.000 1.103 989 F CA -1.130 56.757 58.000 -0.189 0.000 0.954 989 F CB 2.114 40.936 39.000 -0.297 0.000 1.267 989 F HN 0.029 nan 8.300 nan 0.000 0.444 990 H N 2.318 121.392 119.070 0.006 0.000 2.865 990 H HA 0.526 5.081 4.556 -0.002 0.000 0.362 990 H C -0.792 174.557 175.328 0.035 0.000 1.114 990 H CA -0.875 55.154 56.048 -0.032 0.000 1.208 990 H CB 1.841 31.571 29.762 -0.053 0.000 1.727 990 H HN 0.778 nan 8.280 nan 0.000 0.534 991 M N 3.446 123.023 119.600 -0.038 0.000 2.245 991 M HA 0.290 4.769 4.480 -0.002 0.000 0.330 991 M C 0.472 176.878 176.300 0.177 0.000 1.098 991 M CA 0.249 55.575 55.300 0.043 0.000 1.172 991 M CB 0.387 32.916 32.600 -0.119 0.000 1.467 991 M HN 0.836 nan 8.290 nan 0.000 0.454 992 G N 2.799 111.683 108.800 0.139 0.000 2.664 992 G HA2 0.256 4.215 3.960 -0.002 0.000 0.242 992 G HA3 0.256 4.215 3.960 -0.002 0.000 0.242 992 G C 0.605 175.485 174.900 -0.032 0.000 1.225 992 G CA -0.324 44.798 45.100 0.037 0.000 0.849 992 G HN 0.976 nan 8.290 nan 0.000 0.581 993 I N -1.333 119.172 120.570 -0.109 0.000 3.462 993 I HA 0.396 4.565 4.170 -0.002 0.000 0.290 993 I C 1.265 177.321 176.117 -0.101 0.000 1.236 993 I CA 0.462 61.662 61.300 -0.167 0.000 1.418 993 I CB -0.570 37.230 38.000 -0.332 0.000 1.102 993 I HN 0.923 nan 8.210 nan 0.000 0.441 994 G N 1.699 110.464 108.800 -0.058 0.000 2.641 994 G HA2 -0.009 3.950 3.960 -0.002 0.000 0.254 994 G HA3 -0.009 3.950 3.960 -0.002 0.000 0.254 994 G C 0.604 175.506 174.900 0.004 0.000 1.315 994 G CA 0.254 45.357 45.100 0.004 0.000 0.907 994 G HN 1.425 nan 8.290 nan 0.000 0.572 995 G N -2.430 106.384 108.800 0.025 0.000 2.559 995 G HA2 0.034 3.993 3.960 -0.002 0.000 0.202 995 G HA3 0.034 3.993 3.960 -0.002 0.000 0.202 995 G C 0.610 175.564 174.900 0.091 0.000 0.992 995 G CA 0.942 46.063 45.100 0.034 0.000 0.764 995 G HN 0.924 nan 8.290 nan 0.000 0.525 996 D N 1.203 121.675 120.400 0.120 0.000 2.158 996 D HA 0.081 4.720 4.640 -0.002 0.000 0.197 996 D C 1.110 177.441 176.300 0.052 0.000 0.995 996 D CA 2.124 56.253 54.000 0.215 0.000 0.846 996 D CB 0.161 41.090 40.800 0.215 0.000 0.941 996 D HN 0.812 nan 8.370 nan 0.000 0.456 997 D N -3.334 116.884 120.400 -0.302 0.000 2.677 997 D HA 0.369 5.008 4.640 -0.002 0.000 0.298 997 D C -0.803 175.003 176.300 -0.824 0.000 1.250 997 D CA -0.735 52.681 54.000 -0.974 0.000 0.888 997 D CB 0.932 40.626 40.800 -1.845 0.000 1.397 997 D HN -0.303 nan 8.370 nan 0.000 0.461 998 S N -0.775 114.286 115.700 -1.065 0.000 2.711 998 S HA 0.250 4.718 4.470 -0.002 0.000 0.247 998 S C -0.700 173.945 174.600 0.075 0.000 1.079 998 S CA -0.694 57.325 58.200 -0.302 0.000 1.050 998 S CB -0.474 62.704 63.200 -0.036 0.000 0.885 998 S HN 0.624 nan 8.310 nan 0.000 0.498 999 W N 0.709 121.957 121.300 -0.087 0.000 2.324 999 W HA 0.501 5.159 4.660 -0.002 0.000 0.316 999 W C 0.026 176.507 176.519 -0.063 0.000 0.927 999 W CA -0.375 56.933 57.345 -0.062 0.000 1.438 999 W CB -0.397 28.964 29.460 -0.165 0.000 1.085 999 W HN 0.190 nan 8.180 nan 0.000 0.532 1000 S N -0.717 114.856 115.700 -0.212 0.000 2.556 1000 S HA 0.632 5.101 4.470 -0.002 0.000 0.271 1000 S C -3.039 171.484 174.600 -0.128 0.000 1.135 1000 S CA -1.755 56.369 58.200 -0.127 0.000 0.858 1000 S CB 1.724 64.868 63.200 -0.093 0.000 1.114 1000 S HN -0.233 nan 8.310 nan 0.000 0.468 1001 P HA 0.129 nan 4.420 nan 0.000 0.261 1001 P C 0.406 177.734 177.300 0.047 0.000 1.183 1001 P CA 0.141 63.231 63.100 -0.017 0.000 0.761 1001 P CB 0.492 32.051 31.700 -0.235 0.000 0.785 1002 S N 0.725 116.496 115.700 0.118 0.000 2.733 1002 S HA 0.124 4.593 4.470 -0.002 0.000 0.247 1002 S C 0.264 174.949 174.600 0.142 0.000 1.043 1002 S CA -0.303 57.945 58.200 0.079 0.000 1.066 1002 S CB -0.227 62.972 63.200 -0.003 0.000 1.045 1002 S HN 0.118 nan 8.310 nan 0.000 0.586 1003 V N 3.042 123.090 119.914 0.224 0.000 2.439 1003 V HA 0.328 4.447 4.120 -0.002 0.000 0.271 1003 V C 0.823 177.074 176.094 0.261 0.000 1.040 1003 V CA -0.173 62.255 62.300 0.213 0.000 1.002 1003 V CB 0.777 32.684 31.823 0.140 0.000 1.000 1003 V HN 0.515 nan 8.190 nan 0.000 0.477 1004 S N 4.126 119.987 115.700 0.268 0.000 2.579 1004 S HA 0.321 4.790 4.470 -0.002 0.000 0.275 1004 S C 1.554 176.288 174.600 0.225 0.000 1.345 1004 S CA 0.048 58.392 58.200 0.240 0.000 1.031 1004 S CB 1.173 64.531 63.200 0.264 0.000 0.892 1004 S HN 0.984 nan 8.310 nan 0.000 0.529 1005 A N 3.348 126.256 122.820 0.147 0.000 1.948 1005 A HA -0.161 4.158 4.320 -0.002 0.000 0.220 1005 A C 2.016 179.625 177.584 0.041 0.000 1.177 1005 A CA 1.928 54.036 52.037 0.118 0.000 0.636 1005 A CB -0.702 18.347 19.000 0.081 0.000 0.815 1005 A HN 0.960 nan 8.150 nan 0.000 0.449 1006 E N -0.938 119.220 120.200 -0.071 0.000 2.409 1006 E HA -0.115 4.233 4.350 -0.002 0.000 0.198 1006 E C 0.766 177.114 176.600 -0.420 0.000 1.024 1006 E CA 0.775 57.009 56.400 -0.276 0.000 0.861 1006 E CB -0.405 29.042 29.700 -0.423 0.000 0.788 1006 E HN 0.694 nan 8.360 nan 0.000 0.521 1007 F N 1.047 121.047 119.950 0.083 0.000 2.661 1007 F HA 0.280 4.806 4.527 -0.002 0.000 0.306 1007 F C 0.880 176.716 175.800 0.059 0.000 1.094 1007 F CA -0.580 57.469 58.000 0.082 0.000 1.254 1007 F CB 0.588 39.638 39.000 0.083 0.000 1.040 1007 F HN -0.193 nan 8.300 nan 0.000 0.562 1008 Q N 1.176 121.081 119.800 0.174 0.000 2.230 1008 Q HA 0.415 4.754 4.340 -0.002 0.000 0.248 1008 Q C -0.255 175.769 176.000 0.041 0.000 0.915 1008 Q CA -0.512 55.362 55.803 0.119 0.000 0.900 1008 Q CB 1.843 30.723 28.738 0.237 0.000 1.229 1008 Q HN 0.251 nan 8.270 nan 0.000 0.439 1009 L N 2.358 123.590 121.223 0.014 0.000 2.422 1009 L HA 0.136 4.475 4.340 -0.002 0.000 0.256 1009 L C 0.514 177.360 176.870 -0.040 0.000 1.202 1009 L CA -0.057 54.780 54.840 -0.006 0.000 1.119 1009 L CB -0.157 41.803 42.059 -0.165 0.000 1.383 1009 L HN 0.702 nan 8.230 nan 0.000 0.411 1010 S N -1.104 114.501 115.700 -0.159 0.000 2.629 1010 S HA 0.161 4.629 4.470 -0.002 0.000 0.236 1010 S C 1.543 176.074 174.600 -0.114 0.000 1.010 1010 S CA 0.190 58.118 58.200 -0.453 0.000 0.981 1010 S CB 0.799 63.580 63.200 -0.698 0.000 0.919 1010 S HN 0.488 nan 8.310 nan 0.000 0.514 1011 A N 1.444 124.228 122.820 -0.061 0.000 2.119 1011 A HA 0.478 4.797 4.320 -0.002 0.000 0.217 1011 A C 2.104 179.538 177.584 -0.250 0.000 1.153 1011 A CA 1.141 53.003 52.037 -0.292 0.000 0.692 1011 A CB -1.264 17.320 19.000 -0.693 0.000 0.799 1011 A HN 1.483 nan 8.150 nan 0.000 0.458 1012 G N -1.149 107.611 108.800 -0.067 0.000 2.550 1012 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.233 1012 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.233 1012 G C 0.487 175.388 174.900 0.001 0.000 1.170 1012 G CA 0.554 45.667 45.100 0.023 0.000 0.693 1012 G HN 0.685 nan 8.290 nan 0.000 0.512 1013 R N -0.492 119.889 120.500 -0.198 0.000 2.534 1013 R HA 0.680 5.019 4.340 -0.002 0.000 0.301 1013 R C -1.518 174.546 176.300 -0.395 0.000 0.961 1013 R CA -0.593 55.427 56.100 -0.134 0.000 0.871 1013 R CB 1.460 31.719 30.300 -0.069 0.000 1.170 1013 R HN 0.254 nan 8.270 nan 0.000 0.446 1014 Y N 0.557 120.863 120.300 0.009 0.000 2.425 1014 Y HA 0.312 4.861 4.550 -0.002 0.000 0.344 1014 Y C -0.417 175.635 175.900 0.255 0.000 0.969 1014 Y CA -0.820 57.258 58.100 -0.037 0.000 1.052 1014 Y CB 2.088 40.418 38.460 -0.217 0.000 1.215 1014 Y HN 0.583 nan 8.280 nan 0.000 0.451 1015 H N 3.411 122.746 119.070 0.442 0.000 2.589 1015 H HA 0.592 5.146 4.556 -0.002 0.000 0.351 1015 H C -1.706 174.014 175.328 0.654 0.000 1.074 1015 H CA -0.892 55.409 56.048 0.422 0.000 1.203 1015 H CB 1.029 30.932 29.762 0.235 0.000 1.558 1015 H HN 0.587 nan 8.280 nan 0.000 0.522 1016 Y N 1.827 121.943 120.300 -0.307 0.000 2.597 1016 Y HA 0.433 4.981 4.550 -0.002 0.000 0.340 1016 Y C -1.874 173.796 175.900 -0.384 0.000 1.097 1016 Y CA -1.165 56.780 58.100 -0.260 0.000 1.037 1016 Y CB 1.447 39.864 38.460 -0.071 0.000 1.305 1016 Y HN 0.713 nan 8.280 nan 0.000 0.463 1017 Q N 3.109 122.860 119.800 -0.081 0.000 2.347 1017 Q HA 0.770 5.109 4.340 -0.002 0.000 0.271 1017 Q C -2.104 173.958 176.000 0.103 0.000 1.064 1017 Q CA -1.011 54.758 55.803 -0.056 0.000 0.800 1017 Q CB 3.176 31.932 28.738 0.031 0.000 1.304 1017 Q HN 0.868 nan 8.270 nan 0.000 0.438 1018 L N 1.590 122.860 121.223 0.078 0.000 2.401 1018 L HA 0.672 5.011 4.340 -0.002 0.000 0.266 1018 L C -0.914 176.054 176.870 0.162 0.000 0.991 1018 L CA -1.276 53.645 54.840 0.135 0.000 0.818 1018 L CB 2.594 44.711 42.059 0.097 0.000 1.321 1018 L HN 0.479 nan 8.230 nan 0.000 0.413 1019 V N 1.271 121.303 119.914 0.197 0.000 2.384 1019 V HA 0.344 4.463 4.120 -0.002 0.000 0.287 1019 V C -1.062 175.187 176.094 0.259 0.000 1.020 1019 V CA -0.427 61.998 62.300 0.209 0.000 0.850 1019 V CB 1.783 33.707 31.823 0.167 0.000 0.987 1019 V HN 0.593 nan 8.190 nan 0.000 0.436 1020 W N 7.233 128.578 121.300 0.075 0.000 2.376 1020 W HA 0.691 5.349 4.660 -0.003 0.000 0.312 1020 W C -0.160 176.358 176.519 -0.002 0.000 1.060 1020 W CA -1.148 56.174 57.345 -0.039 0.000 1.221 1020 W CB 1.359 30.852 29.460 0.055 0.000 1.281 1020 W HN 0.843 nan 8.180 nan 0.000 0.456 1021 C N 3.840 123.362 119.300 0.371 0.000 3.285 1021 C HA 0.654 5.113 4.460 -0.002 0.000 0.320 1021 C C -0.623 174.479 174.990 0.188 0.000 1.411 1021 C CA -0.903 58.267 59.018 0.253 0.000 1.429 1021 C CB 1.784 29.619 27.740 0.158 0.000 1.812 1021 C HN 0.671 nan 8.230 nan 0.000 0.454 1022 Q N 1.190 121.058 119.800 0.114 0.000 2.256 1022 Q HA 0.446 4.784 4.340 -0.002 0.000 0.257 1022 Q C -0.398 175.600 176.000 -0.003 0.000 0.936 1022 Q CA -0.238 55.576 55.803 0.020 0.000 0.903 1022 Q CB 1.308 30.035 28.738 -0.018 0.000 1.263 1022 Q HN 0.729 nan 8.270 nan 0.000 0.440 1023 K N 0.000 120.374 120.400 -0.044 0.000 2.780 1023 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 1023 K CA 0.000 56.269 56.287 -0.031 0.000 0.838 1023 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543