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 3iaq_1_D 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 ANIVTHGMVP 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 0.000 176.108 176.300 -0.320 0.000 0.893 13 R CA 0.000 55.971 56.100 -0.214 0.000 0.921 13 R CB 0.000 30.170 30.300 -0.217 0.000 0.687 14 R N 1.328 121.550 120.500 -0.465 0.000 2.937 14 R HA 0.190 4.538 4.340 0.014 0.000 0.264 14 R C -0.107 175.629 176.300 -0.939 0.000 1.334 14 R CA -0.407 55.107 56.100 -0.977 0.000 1.516 14 R CB 0.410 30.221 30.300 -0.815 0.000 1.187 14 R HN 0.448 nan 8.270 nan 0.000 0.609 15 D N 0.948 120.937 120.400 -0.685 0.000 2.309 15 D HA -0.161 4.487 4.640 0.014 0.000 0.212 15 D C 1.222 177.342 176.300 -0.300 0.000 0.968 15 D CA 1.049 54.747 54.000 -0.504 0.000 0.882 15 D CB 0.192 40.555 40.800 -0.728 0.000 0.918 15 D HN 0.640 nan 8.370 nan 0.000 0.503 16 W N 0.932 122.213 121.300 -0.031 0.000 3.256 16 W HA 0.279 4.947 4.660 0.013 0.000 0.269 16 W C 0.507 177.121 176.519 0.159 0.000 1.310 16 W CA -0.355 57.093 57.345 0.172 0.000 1.673 16 W CB -0.191 29.427 29.460 0.264 0.000 1.115 16 W HN -0.215 nan 8.180 nan 0.000 0.686 17 E N 1.184 121.262 120.200 -0.203 0.000 3.157 17 E HA 0.068 4.427 4.350 0.014 0.000 0.203 17 E C -0.839 175.629 176.600 -0.219 0.000 0.982 17 E CA -0.222 56.110 56.400 -0.112 0.000 1.217 17 E CB -0.147 29.505 29.700 -0.081 0.000 1.123 17 E HN 0.020 nan 8.360 nan 0.000 0.457 18 N N 0.977 119.564 118.700 -0.188 0.000 2.599 18 N HA 0.132 4.880 4.740 0.014 0.000 0.283 18 N C -2.320 173.039 175.510 -0.251 0.000 1.160 18 N CA -1.829 51.070 53.050 -0.253 0.000 0.869 18 N CB 1.559 39.903 38.487 -0.238 0.000 1.448 18 N HN -0.182 nan 8.380 nan 0.000 0.535 19 P HA 0.066 nan 4.420 nan 0.000 0.226 19 P C 1.109 178.174 177.300 -0.392 0.000 1.153 19 P CA 0.593 63.361 63.100 -0.553 0.000 0.777 19 P CB 0.213 31.118 31.700 -1.326 0.000 0.794 20 G N 0.015 108.619 108.800 -0.326 0.000 2.484 20 G HA2 -0.017 3.952 3.960 0.014 0.000 0.218 20 G HA3 -0.017 3.952 3.960 0.014 0.000 0.218 20 G C 0.465 175.281 174.900 -0.140 0.000 1.130 20 G CA 0.253 45.219 45.100 -0.223 0.000 0.784 20 G HN 0.224 nan 8.290 nan 0.000 0.543 21 V N 1.636 121.479 119.914 -0.118 0.000 2.304 21 V HA 0.313 4.441 4.120 0.014 0.000 0.278 21 V C 0.924 177.049 176.094 0.052 0.000 1.018 21 V CA 0.220 62.495 62.300 -0.041 0.000 0.814 21 V CB 1.095 32.871 31.823 -0.078 0.000 1.021 21 V HN 0.344 nan 8.190 nan 0.000 0.440 22 T N 0.701 115.300 114.554 0.074 0.000 3.001 22 T HA 0.297 4.655 4.350 0.014 0.000 0.251 22 T C 0.333 175.117 174.700 0.139 0.000 1.040 22 T CA 0.111 62.280 62.100 0.116 0.000 0.985 22 T CB 0.353 69.240 68.868 0.031 0.000 1.011 22 T HN 0.651 nan 8.240 nan 0.000 0.509 23 Q N 0.352 120.251 119.800 0.165 0.000 2.522 23 Q HA 0.715 5.064 4.340 0.014 0.000 0.285 23 Q C -2.081 174.055 176.000 0.228 0.000 0.982 23 Q CA -1.015 54.887 55.803 0.165 0.000 0.805 23 Q CB 1.230 29.989 28.738 0.034 0.000 1.457 23 Q HN 0.244 nan 8.270 nan 0.000 0.394 24 L N 2.024 123.421 121.223 0.289 0.000 2.439 24 L HA 0.573 4.922 4.340 0.014 0.000 0.270 24 L C -0.615 176.402 176.870 0.245 0.000 0.972 24 L CA -0.827 54.188 54.840 0.291 0.000 0.836 24 L CB 1.836 44.175 42.059 0.467 0.000 1.255 24 L HN 0.837 nan 8.230 nan 0.000 0.404 25 N N 0.981 119.789 118.700 0.181 0.000 2.741 25 N HA -0.214 4.534 4.740 0.014 0.000 0.251 25 N C 0.195 175.820 175.510 0.192 0.000 1.112 25 N CA 0.830 53.973 53.050 0.155 0.000 0.750 25 N CB -0.816 37.714 38.487 0.071 0.000 1.119 25 N HN 0.648 nan 8.380 nan 0.000 0.561 26 R N 0.750 121.292 120.500 0.070 0.000 2.441 26 R HA 0.406 4.754 4.340 0.014 0.000 0.284 26 R C 0.506 176.689 176.300 -0.194 0.000 1.070 26 R CA -0.338 55.583 56.100 -0.300 0.000 1.047 26 R CB 0.569 30.653 30.300 -0.360 0.000 1.016 26 R HN 0.121 nan 8.270 nan 0.000 0.477 27 L N 2.738 123.808 121.223 -0.256 0.000 2.456 27 L HA 0.358 4.706 4.340 0.014 0.000 0.257 27 L C 0.576 177.397 176.870 -0.083 0.000 1.162 27 L CA -0.708 54.071 54.840 -0.103 0.000 0.808 27 L CB 1.046 43.075 42.059 -0.050 0.000 1.136 27 L HN 0.765 nan 8.230 nan 0.000 0.466 28 A N 1.255 124.069 122.820 -0.009 0.000 2.483 28 A HA 0.495 4.823 4.320 0.014 0.000 0.238 28 A C 0.275 177.862 177.584 0.005 0.000 1.070 28 A CA 0.040 52.079 52.037 0.004 0.000 0.770 28 A CB 0.201 19.228 19.000 0.045 0.000 1.008 28 A HN 0.790 nan 8.150 nan 0.000 0.497 29 A N 1.224 123.994 122.820 -0.082 0.000 2.313 29 A HA 0.726 5.054 4.320 0.014 0.000 0.261 29 A C 0.039 177.526 177.584 -0.161 0.000 1.090 29 A CA 0.439 52.337 52.037 -0.233 0.000 0.807 29 A CB 0.032 18.903 19.000 -0.215 0.000 1.055 29 A HN 2.058 nan 8.150 nan 0.000 0.492 30 H N -3.219 115.704 119.070 -0.245 0.000 2.984 30 H HA 0.536 5.100 4.556 0.014 0.000 0.298 30 H C -3.456 171.575 175.328 -0.496 0.000 1.378 30 H CA -1.650 54.182 56.048 -0.360 0.000 1.241 30 H CB -0.183 29.271 29.762 -0.514 0.000 1.894 30 H HN 0.386 nan 8.280 nan 0.000 0.511 31 P HA 0.159 nan 4.420 nan 0.000 0.271 31 P C -2.525 174.591 177.300 -0.307 0.000 1.233 31 P CA -1.119 61.770 63.100 -0.352 0.000 0.789 31 P CB -0.248 31.133 31.700 -0.531 0.000 0.951 32 P HA -0.034 nan 4.420 nan 0.000 0.256 32 P C -0.785 176.665 177.300 0.250 0.000 1.173 32 P CA 1.159 64.276 63.100 0.029 0.000 0.768 32 P CB -0.234 31.533 31.700 0.111 0.000 0.758 33 F N 2.190 122.216 119.950 0.127 0.000 2.483 33 F HA 0.619 5.154 4.527 0.014 0.000 0.329 33 F C 1.109 176.817 175.800 -0.152 0.000 1.064 33 F CA -1.434 56.579 58.000 0.021 0.000 0.986 33 F CB 1.083 40.046 39.000 -0.062 0.000 1.218 33 F HN 0.292 nan 8.300 nan 0.000 0.484 34 A N -0.015 122.719 122.820 -0.144 0.000 2.664 34 A HA 0.306 4.634 4.320 0.014 0.000 0.222 34 A C 0.683 177.971 177.584 -0.493 0.000 1.320 34 A CA 0.598 52.302 52.037 -0.555 0.000 1.029 34 A CB -0.414 17.708 19.000 -1.463 0.000 1.318 34 A HN 0.856 nan 8.150 nan 0.000 0.589 35 S N 0.474 116.000 115.700 -0.291 0.000 3.477 35 S HA -0.161 4.317 4.470 0.014 0.000 0.371 35 S C 0.030 174.568 174.600 -0.104 0.000 0.965 35 S CA 0.457 58.537 58.200 -0.201 0.000 1.239 35 S CB -1.648 61.423 63.200 -0.215 0.000 0.918 35 S HN 0.464 nan 8.310 nan 0.000 0.498 36 W N 1.560 122.843 121.300 -0.028 0.000 2.231 36 W HA 0.161 4.829 4.660 0.013 0.000 0.341 36 W C 1.356 177.862 176.519 -0.021 0.000 1.298 36 W CA -0.415 56.924 57.345 -0.011 0.000 1.266 36 W CB 0.206 29.658 29.460 -0.014 0.000 1.172 36 W HN 0.383 nan 8.180 nan 0.000 0.568 37 R N 1.830 122.474 120.500 0.239 0.000 2.437 37 R HA 0.073 4.422 4.340 0.014 0.000 0.257 37 R C 0.068 176.437 176.300 0.115 0.000 0.927 37 R CA -0.076 56.106 56.100 0.136 0.000 1.078 37 R CB -0.089 30.274 30.300 0.105 0.000 1.161 37 R HN 0.363 nan 8.270 nan 0.000 0.529 38 N N 0.115 118.895 118.700 0.134 0.000 2.352 38 N HA 0.136 4.884 4.740 0.014 0.000 0.291 38 N C -0.118 175.368 175.510 -0.039 0.000 1.040 38 N CA -0.032 53.046 53.050 0.046 0.000 0.864 38 N CB 1.943 40.456 38.487 0.043 0.000 1.440 38 N HN -0.258 nan 8.380 nan 0.000 0.483 39 S N 2.216 117.872 115.700 -0.073 0.000 2.428 39 S HA -0.128 4.350 4.470 0.014 0.000 0.230 39 S C 1.367 175.806 174.600 -0.267 0.000 1.014 39 S CA 0.860 58.973 58.200 -0.144 0.000 0.957 39 S CB 0.064 63.214 63.200 -0.083 0.000 0.784 39 S HN 0.748 nan 8.310 nan 0.000 0.499 40 E N 1.707 121.766 120.200 -0.234 0.000 2.158 40 E HA -0.086 4.272 4.350 0.014 0.000 0.191 40 E C 1.829 178.228 176.600 -0.334 0.000 0.982 40 E CA 0.974 57.197 56.400 -0.294 0.000 0.823 40 E CB -0.114 29.468 29.700 -0.197 0.000 0.766 40 E HN 0.269 nan 8.360 nan 0.000 0.468 41 E N 0.321 120.344 120.200 -0.295 0.000 2.072 41 E HA -0.127 4.231 4.350 0.014 0.000 0.191 41 E C 2.006 178.124 176.600 -0.802 0.000 0.985 41 E CA 1.078 57.285 56.400 -0.320 0.000 0.801 41 E CB -0.425 29.234 29.700 -0.069 0.000 0.750 41 E HN 0.384 nan 8.360 nan 0.000 0.452 42 A N 1.780 123.892 122.820 -1.180 0.000 1.877 42 A HA -0.208 4.120 4.320 0.014 0.000 0.216 42 A C 2.241 179.220 177.584 -1.008 0.000 1.186 42 A CA 1.736 52.715 52.037 -1.764 0.000 0.620 42 A CB -0.563 17.837 19.000 -1.000 0.000 0.822 42 A HN 0.133 nan 8.150 nan 0.000 0.443 43 R N -0.256 119.839 120.500 -0.674 0.000 2.105 43 R HA -0.139 4.210 4.340 0.014 0.000 0.239 43 R C 1.835 177.876 176.300 -0.433 0.000 1.135 43 R CA 2.056 57.809 56.100 -0.578 0.000 0.967 43 R CB -0.433 29.380 30.300 -0.813 0.000 0.861 43 R HN 0.643 nan 8.270 nan 0.000 0.442 44 T N -2.842 111.477 114.554 -0.392 0.000 3.107 44 T HA 0.061 4.420 4.350 0.014 0.000 0.249 44 T C 0.376 174.991 174.700 -0.142 0.000 1.096 44 T CA 0.486 62.446 62.100 -0.233 0.000 1.012 44 T CB 0.158 68.915 68.868 -0.186 0.000 0.977 44 T HN 0.338 nan 8.240 nan 0.000 0.527 45 D N 0.734 121.017 120.400 -0.194 0.000 3.077 45 D HA -0.177 4.472 4.640 0.014 0.000 0.217 45 D C 0.091 176.511 176.300 0.201 0.000 1.162 45 D CA 0.578 54.599 54.000 0.035 0.000 0.943 45 D CB -1.097 39.758 40.800 0.092 0.000 1.122 45 D HN 0.567 nan 8.370 nan 0.000 0.413 46 R N 0.185 120.757 120.500 0.121 0.000 2.641 46 R HA 0.377 4.726 4.340 0.014 0.000 0.269 46 R C -2.088 174.447 176.300 0.391 0.000 1.074 46 R CA -1.127 55.086 56.100 0.189 0.000 1.133 46 R CB 0.110 30.465 30.300 0.091 0.000 1.029 46 R HN 0.111 nan 8.270 nan 0.000 0.488 47 P HA -0.070 nan 4.420 nan 0.000 0.267 47 P C -0.707 176.746 177.300 0.256 0.000 1.201 47 P CA 0.263 63.499 63.100 0.228 0.000 0.775 47 P CB 0.628 32.410 31.700 0.138 0.000 0.854 48 S N 0.887 116.622 115.700 0.058 0.000 2.454 48 S HA 0.127 4.605 4.470 0.014 0.000 0.306 48 S C 0.938 175.561 174.600 0.038 0.000 1.100 48 S CA -0.562 57.615 58.200 -0.038 0.000 1.087 48 S CB 0.504 63.388 63.200 -0.526 0.000 1.019 48 S HN 0.261 nan 8.310 nan 0.000 0.480 49 Q N 2.357 122.222 119.800 0.108 0.000 2.364 49 Q HA -0.078 4.270 4.340 0.014 0.000 0.209 49 Q C 0.894 177.057 176.000 0.272 0.000 0.977 49 Q CA 1.162 57.063 55.803 0.164 0.000 0.885 49 Q CB -0.017 28.823 28.738 0.171 0.000 0.941 49 Q HN 0.654 nan 8.270 nan 0.000 0.464 50 Q N -0.323 119.583 119.800 0.176 0.000 2.425 50 Q HA 0.090 4.439 4.340 0.014 0.000 0.204 50 Q C -0.245 175.835 176.000 0.133 0.000 0.933 50 Q CA 0.187 56.085 55.803 0.158 0.000 0.939 50 Q CB 0.394 29.113 28.738 -0.031 0.000 1.044 50 Q HN 0.076 nan 8.270 nan 0.000 0.513 51 L N 0.919 122.198 121.223 0.094 0.000 2.324 51 L HA 0.402 4.751 4.340 0.014 0.000 0.274 51 L C -1.021 175.917 176.870 0.113 0.000 1.012 51 L CA -0.174 54.707 54.840 0.068 0.000 0.859 51 L CB 0.912 42.934 42.059 -0.063 0.000 1.224 51 L HN -0.152 nan 8.230 nan 0.000 0.429 52 R N 2.402 123.004 120.500 0.170 0.000 2.407 52 R HA 0.487 4.835 4.340 0.014 0.000 0.303 52 R C -0.437 175.895 176.300 0.052 0.000 0.981 52 R CA -0.547 55.615 56.100 0.104 0.000 0.905 52 R CB 1.846 32.204 30.300 0.096 0.000 1.099 52 R HN 0.625 nan 8.270 nan 0.000 0.459 53 S N 2.840 118.560 115.700 0.033 0.000 2.489 53 S HA 0.210 4.688 4.470 0.014 0.000 0.277 53 S C 0.879 175.493 174.600 0.023 0.000 1.230 53 S CA -0.573 57.639 58.200 0.020 0.000 1.053 53 S CB 0.460 63.677 63.200 0.030 0.000 0.955 53 S HN 0.548 nan 8.310 nan 0.000 0.488 54 L N 3.877 125.112 121.223 0.020 0.000 2.653 54 L HA 0.221 4.569 4.340 0.014 0.000 0.231 54 L C 0.377 177.390 176.870 0.240 0.000 1.153 54 L CA -0.285 54.599 54.840 0.072 0.000 0.933 54 L CB -0.427 41.643 42.059 0.018 0.000 1.175 54 L HN 0.537 nan 8.230 nan 0.000 0.473 55 N N 0.991 119.777 118.700 0.144 0.000 2.340 55 N HA 0.366 5.114 4.740 0.014 0.000 0.236 55 N C 0.752 176.380 175.510 0.195 0.000 1.296 55 N CA 1.163 54.302 53.050 0.148 0.000 0.896 55 N CB 0.779 39.297 38.487 0.051 0.000 1.127 55 N HN 0.288 nan 8.380 nan 0.000 0.442 56 G N 0.002 108.923 108.800 0.201 0.000 2.250 56 G HA2 -0.110 3.859 3.960 0.014 0.000 0.196 56 G HA3 -0.110 3.859 3.960 0.014 0.000 0.196 56 G C -1.531 173.542 174.900 0.289 0.000 1.308 56 G CA -0.745 44.472 45.100 0.194 0.000 1.207 56 G HN 0.485 nan 8.290 nan 0.000 0.505 57 E N 0.203 120.561 120.200 0.263 0.000 2.130 57 E HA 0.470 4.828 4.350 0.014 0.000 0.284 57 E C -0.937 175.891 176.600 0.380 0.000 1.018 57 E CA -0.334 56.233 56.400 0.278 0.000 0.817 57 E CB 1.178 30.972 29.700 0.157 0.000 1.078 57 E HN 0.351 nan 8.360 nan 0.000 0.396 58 W N 1.698 123.087 121.300 0.148 0.000 2.594 58 W HA 0.389 5.058 4.660 0.014 0.000 0.365 58 W C 0.333 176.979 176.519 0.211 0.000 1.196 58 W CA -0.686 56.782 57.345 0.205 0.000 1.258 58 W CB 0.767 30.408 29.460 0.302 0.000 1.405 58 W HN 0.157 nan 8.180 nan 0.000 0.640 59 R N 1.587 122.369 120.500 0.469 0.000 2.393 59 R HA 0.494 4.842 4.340 0.014 0.000 0.310 59 R C -1.535 175.022 176.300 0.428 0.000 0.968 59 R CA -0.893 55.419 56.100 0.353 0.000 0.867 59 R CB 1.152 31.596 30.300 0.241 0.000 1.124 59 R HN 0.427 nan 8.270 nan 0.000 0.450 60 F N 0.913 120.914 119.950 0.085 0.000 2.565 60 F HA 0.679 5.214 4.527 0.014 0.000 0.313 60 F C -1.321 174.325 175.800 -0.256 0.000 1.091 60 F CA -0.654 57.254 58.000 -0.154 0.000 0.915 60 F CB 1.979 40.799 39.000 -0.301 0.000 1.208 60 F HN 0.609 nan 8.300 nan 0.000 0.453 61 A N 4.376 126.403 122.820 -1.322 0.000 2.475 61 A HA 0.619 4.947 4.320 0.014 0.000 0.301 61 A C -2.412 174.136 177.584 -1.727 0.000 1.059 61 A CA -0.564 50.745 52.037 -1.213 0.000 0.710 61 A CB 0.832 19.373 19.000 -0.765 0.000 1.288 61 A HN 0.932 nan 8.150 nan 0.000 0.408 62 W N 1.824 122.204 121.300 -1.532 0.000 2.606 62 W HA 0.777 5.445 4.660 0.014 0.000 0.332 62 W C -1.911 173.855 176.519 -1.254 0.000 1.052 62 W CA -0.416 56.171 57.345 -1.263 0.000 1.223 62 W CB 1.338 30.337 29.460 -0.769 0.000 1.383 62 W HN 0.492 nan 8.180 nan 0.000 0.524 63 F N 5.526 124.728 119.950 -1.246 0.000 2.588 63 F HA 0.353 4.888 4.527 0.014 0.000 0.310 63 F C -1.324 173.599 175.800 -1.462 0.000 1.082 63 F CA -2.257 55.143 58.000 -0.999 0.000 0.929 63 F CB 1.778 40.378 39.000 -0.667 0.000 1.254 63 F HN 0.178 nan 8.300 nan 0.000 0.455 64 P HA 0.035 nan 4.420 nan 0.000 0.220 64 P C -0.200 176.954 177.300 -0.243 0.000 1.148 64 P CA 1.148 64.016 63.100 -0.387 0.000 0.803 64 P CB 0.694 32.386 31.700 -0.013 0.000 0.782 65 A N -1.131 121.556 122.820 -0.222 0.000 2.610 65 A HA 0.531 4.859 4.320 0.014 0.000 0.291 65 A C -2.337 175.116 177.584 -0.217 0.000 1.086 65 A CA -1.108 50.836 52.037 -0.155 0.000 0.677 65 A CB 0.531 19.505 19.000 -0.043 0.000 1.278 65 A HN -0.266 nan 8.150 nan 0.000 0.414 66 P HA -0.136 nan 4.420 nan 0.000 0.217 66 P C 0.709 177.908 177.300 -0.169 0.000 1.150 66 P CA 1.579 64.544 63.100 -0.225 0.000 0.832 66 P CB 0.205 31.743 31.700 -0.271 0.000 0.787 67 E N 0.333 120.485 120.200 -0.080 0.000 2.209 67 E HA -0.100 4.258 4.350 0.014 0.000 0.196 67 E C 2.125 178.627 176.600 -0.162 0.000 0.993 67 E CA 1.434 57.793 56.400 -0.068 0.000 0.819 67 E CB -0.930 28.767 29.700 -0.005 0.000 0.745 67 E HN 0.257 nan 8.360 nan 0.000 0.477 68 A N 0.483 123.161 122.820 -0.236 0.000 2.169 68 A HA 0.046 4.374 4.320 0.014 0.000 0.212 68 A C 0.861 178.012 177.584 -0.722 0.000 1.153 68 A CA -0.025 51.820 52.037 -0.321 0.000 0.756 68 A CB 0.156 19.045 19.000 -0.186 0.000 0.813 68 A HN 0.055 nan 8.150 nan 0.000 0.471 69 V N 3.683 123.095 119.914 -0.836 0.000 2.421 69 V HA 0.129 4.257 4.120 0.014 0.000 0.271 69 V C -1.976 173.746 176.094 -0.619 0.000 1.031 69 V CA -1.279 60.338 62.300 -1.138 0.000 1.032 69 V CB 0.127 31.480 31.823 -0.783 0.000 1.009 69 V HN 0.366 nan 8.190 nan 0.000 0.477 70 P HA 0.161 nan 4.420 nan 0.000 0.271 70 P C 0.237 177.467 177.300 -0.117 0.000 1.216 70 P CA -0.264 62.695 63.100 -0.235 0.000 0.776 70 P CB 1.138 32.756 31.700 -0.137 0.000 0.881 71 E N 0.857 121.005 120.200 -0.086 0.000 2.338 71 E HA -0.135 4.223 4.350 0.014 0.000 0.197 71 E C 1.853 178.425 176.600 -0.048 0.000 1.007 71 E CA 1.357 57.716 56.400 -0.069 0.000 0.849 71 E CB -0.477 29.185 29.700 -0.063 0.000 0.774 71 E HN 0.544 nan 8.360 nan 0.000 0.506 72 S N -0.551 115.142 115.700 -0.012 0.000 2.489 72 S HA -0.140 4.338 4.470 0.014 0.000 0.228 72 S C 1.704 176.319 174.600 0.026 0.000 0.995 72 S CA 0.192 58.392 58.200 -0.000 0.000 0.934 72 S CB -0.525 62.685 63.200 0.016 0.000 0.771 72 S HN 0.575 nan 8.310 nan 0.000 0.522 73 W N 2.431 123.651 121.300 -0.133 0.000 2.421 73 W HA 0.132 4.801 4.660 0.014 0.000 0.270 73 W C 1.383 177.811 176.519 -0.150 0.000 1.233 73 W CA 0.615 57.890 57.345 -0.117 0.000 1.226 73 W CB -0.279 29.109 29.460 -0.119 0.000 1.121 73 W HN 0.266 nan 8.180 nan 0.000 0.579 74 L N 0.191 121.160 121.223 -0.423 0.000 2.201 74 L HA -0.102 4.247 4.340 0.014 0.000 0.212 74 L C 1.750 178.375 176.870 -0.408 0.000 1.105 74 L CA 1.464 55.912 54.840 -0.655 0.000 0.775 74 L CB -0.523 41.183 42.059 -0.588 0.000 0.913 74 L HN 0.012 nan 8.230 nan 0.000 0.440 75 E N -2.240 117.812 120.200 -0.247 0.000 2.601 75 E HA 0.140 4.498 4.350 0.014 0.000 0.219 75 E C -0.571 175.965 176.600 -0.107 0.000 0.964 75 E CA -0.230 56.083 56.400 -0.144 0.000 1.050 75 E CB 1.198 30.848 29.700 -0.083 0.000 1.068 75 E HN 0.215 nan 8.360 nan 0.000 0.496 76 C N 0.871 120.103 119.300 -0.113 0.000 2.811 76 C HA 0.190 4.659 4.460 0.014 0.000 0.352 76 C C -1.279 173.712 174.990 0.000 0.000 1.098 76 C CA -1.009 57.983 59.018 -0.044 0.000 1.295 76 C CB 0.951 28.683 27.740 -0.013 0.000 1.758 76 C HN 0.346 nan 8.230 nan 0.000 0.488 77 D N 3.587 124.002 120.400 0.025 0.000 2.434 77 D HA 0.261 4.909 4.640 0.014 0.000 0.252 77 D C -0.054 176.317 176.300 0.118 0.000 1.185 77 D CA 0.275 54.330 54.000 0.091 0.000 0.886 77 D CB 0.641 41.483 40.800 0.070 0.000 1.148 77 D HN 0.547 nan 8.370 nan 0.000 0.483 78 L N 6.061 127.397 121.223 0.188 0.000 2.462 78 L HA 0.146 4.494 4.340 0.014 0.000 0.272 78 L C -1.225 175.697 176.870 0.087 0.000 1.166 78 L CA -1.287 53.639 54.840 0.142 0.000 0.880 78 L CB 0.674 42.828 42.059 0.158 0.000 1.142 78 L HN 0.522 nan 8.230 nan 0.000 0.473 79 P HA -0.177 nan 4.420 nan 0.000 0.218 79 P C 0.818 178.140 177.300 0.036 0.000 1.148 79 P CA 1.133 64.260 63.100 0.046 0.000 0.822 79 P CB 0.274 31.996 31.700 0.037 0.000 0.784 80 E N -0.167 120.050 120.200 0.027 0.000 2.208 80 E HA 0.090 4.448 4.350 0.014 0.000 0.193 80 E C 1.086 177.685 176.600 -0.003 0.000 0.988 80 E CA 0.301 56.705 56.400 0.007 0.000 0.828 80 E CB -0.897 28.796 29.700 -0.012 0.000 0.763 80 E HN 0.172 nan 8.360 nan 0.000 0.478 81 A N 1.631 124.448 122.820 -0.005 0.000 2.547 81 A HA 0.019 4.347 4.320 0.014 0.000 0.233 81 A C 0.027 177.645 177.584 0.057 0.000 1.067 81 A CA 0.105 52.135 52.037 -0.011 0.000 0.763 81 A CB 0.186 19.197 19.000 0.019 0.000 1.007 81 A HN 0.002 nan 8.150 nan 0.000 0.506 82 D N 0.044 120.506 120.400 0.104 0.000 2.326 82 D HA 0.444 5.092 4.640 0.014 0.000 0.248 82 D C -0.546 175.856 176.300 0.170 0.000 1.001 82 D CA 0.008 54.098 54.000 0.150 0.000 0.961 82 D CB 1.301 42.240 40.800 0.230 0.000 1.183 82 D HN 0.423 nan 8.370 nan 0.000 0.502 83 T N 0.706 115.343 114.554 0.137 0.000 2.733 83 T HA 0.436 4.794 4.350 0.014 0.000 0.294 83 T C 0.240 175.012 174.700 0.119 0.000 0.956 83 T CA -0.583 61.603 62.100 0.144 0.000 0.987 83 T CB 0.535 69.467 68.868 0.106 0.000 0.920 83 T HN 0.258 nan 8.240 nan 0.000 0.470 84 V N 1.404 121.416 119.914 0.164 0.000 3.074 84 V HA 0.810 4.938 4.120 0.014 0.000 0.314 84 V C -0.234 175.950 176.094 0.152 0.000 1.117 84 V CA -1.084 61.260 62.300 0.073 0.000 1.014 84 V CB 1.693 33.547 31.823 0.051 0.000 1.057 84 V HN 0.493 nan 8.190 nan 0.000 0.438 85 V N 2.054 122.028 119.914 0.099 0.000 2.546 85 V HA 0.561 4.690 4.120 0.014 0.000 0.284 85 V C 0.033 176.201 176.094 0.124 0.000 1.050 85 V CA -0.230 62.147 62.300 0.129 0.000 0.981 85 V CB 1.217 33.087 31.823 0.080 0.000 0.990 85 V HN 0.745 nan 8.190 nan 0.000 0.474 86 V N 6.618 126.552 119.914 0.033 0.000 2.588 86 V HA 0.449 4.577 4.120 0.014 0.000 0.304 86 V C -2.283 173.726 176.094 -0.143 0.000 1.042 86 V CA -1.730 60.465 62.300 -0.175 0.000 0.877 86 V CB 2.615 34.033 31.823 -0.675 0.000 0.996 86 V HN 0.769 nan 8.190 nan 0.000 0.425 87 P HA 0.347 nan 4.420 nan 0.000 0.271 87 P C -0.746 176.488 177.300 -0.109 0.000 1.218 87 P CA 0.060 63.052 63.100 -0.181 0.000 0.780 87 P CB 1.265 32.870 31.700 -0.160 0.000 0.901 88 S N 0.647 116.291 115.700 -0.093 0.000 2.565 88 S HA 0.366 4.844 4.470 0.014 0.000 0.274 88 S C -1.199 173.333 174.600 -0.113 0.000 1.144 88 S CA -1.067 57.076 58.200 -0.096 0.000 0.849 88 S CB 0.298 63.461 63.200 -0.062 0.000 1.103 88 S HN 0.358 nan 8.310 nan 0.000 0.455 89 N N 1.150 119.727 118.700 -0.206 0.000 2.438 89 N HA 0.432 5.180 4.740 0.014 0.000 0.282 89 N C 0.498 175.828 175.510 -0.301 0.000 1.037 89 N CA -0.735 52.150 53.050 -0.275 0.000 0.942 89 N CB 0.551 38.847 38.487 -0.319 0.000 1.136 89 N HN 0.874 nan 8.380 nan 0.000 0.481 90 W N 2.065 123.240 121.300 -0.209 0.000 2.699 90 W HA 0.065 4.733 4.660 0.014 0.000 0.249 90 W C 0.808 177.314 176.519 -0.022 0.000 1.280 90 W CA 0.344 57.582 57.345 -0.179 0.000 1.345 90 W CB -0.334 29.017 29.460 -0.180 0.000 1.128 90 W HN 0.501 nan 8.180 nan 0.000 0.642 91 Q N 0.489 120.271 119.800 -0.030 0.000 2.230 91 Q HA -0.068 4.280 4.340 0.014 0.000 0.202 91 Q C 2.103 178.020 176.000 -0.139 0.000 0.963 91 Q CA 1.548 57.313 55.803 -0.063 0.000 0.866 91 Q CB -0.455 28.130 28.738 -0.254 0.000 0.931 91 Q HN 0.234 nan 8.270 nan 0.000 0.452 92 M N -0.907 118.563 119.600 -0.216 0.000 2.562 92 M HA -0.012 4.476 4.480 0.014 0.000 0.257 92 M C 0.559 176.823 176.300 -0.060 0.000 1.099 92 M CA 1.286 56.463 55.300 -0.206 0.000 1.099 92 M CB -0.518 31.932 32.600 -0.251 0.000 1.427 92 M HN 0.358 nan 8.290 nan 0.000 0.489 93 H N -0.782 118.315 119.070 0.044 0.000 2.586 93 H HA 0.346 4.910 4.556 0.014 0.000 0.273 93 H C 1.126 176.331 175.328 -0.204 0.000 0.997 93 H CA 0.087 56.134 56.048 -0.003 0.000 1.177 93 H CB 0.341 30.205 29.762 0.169 0.000 1.471 93 H HN 0.527 nan 8.280 nan 0.000 0.538 94 G N 0.642 109.422 108.800 -0.033 0.000 2.160 94 G HA2 -0.354 3.614 3.960 0.014 0.000 0.244 94 G HA3 -0.354 3.614 3.960 0.014 0.000 0.244 94 G C 0.190 174.938 174.900 -0.254 0.000 1.022 94 G CA 0.281 45.305 45.100 -0.128 0.000 0.741 94 G HN 0.466 nan 8.290 nan 0.000 0.508 95 Y N 1.087 121.368 120.300 -0.032 0.000 2.337 95 Y HA 0.279 4.837 4.550 0.014 0.000 0.293 95 Y C 1.703 177.294 175.900 -0.515 0.000 1.123 95 Y CA 1.496 59.423 58.100 -0.289 0.000 1.201 95 Y CB 0.274 38.608 38.460 -0.211 0.000 1.011 95 Y HN 0.667 nan 8.280 nan 0.000 0.545 96 D N -1.974 118.451 120.400 0.042 0.000 2.759 96 D HA 0.526 5.174 4.640 0.014 0.000 0.321 96 D C -1.173 175.191 176.300 0.106 0.000 1.267 96 D CA -0.944 53.087 54.000 0.052 0.000 0.933 96 D CB 0.704 41.645 40.800 0.234 0.000 1.431 96 D HN -0.056 nan 8.370 nan 0.000 0.504 97 A N 0.055 122.953 122.820 0.131 0.000 2.301 97 A HA 0.642 4.970 4.320 0.014 0.000 0.298 97 A C -2.284 175.328 177.584 0.046 0.000 1.185 97 A CA -1.228 50.867 52.037 0.097 0.000 0.830 97 A CB 0.007 19.136 19.000 0.215 0.000 1.112 97 A HN 0.513 nan 8.150 nan 0.000 0.508 98 P HA 0.320 nan 4.420 nan 0.000 0.275 98 P C -0.868 176.620 177.300 0.314 0.000 1.227 98 P CA 0.227 63.274 63.100 -0.088 0.000 0.781 98 P CB 0.675 32.044 31.700 -0.552 0.000 0.906 99 I N 3.355 124.184 120.570 0.433 0.000 2.362 99 I HA 0.239 4.417 4.170 0.014 0.000 0.289 99 I C -0.206 176.116 176.117 0.342 0.000 0.994 99 I CA -0.997 60.553 61.300 0.416 0.000 1.158 99 I CB 1.055 39.239 38.000 0.308 0.000 1.315 99 I HN 0.294 nan 8.210 nan 0.000 0.451 100 Y N 6.502 126.734 120.300 -0.113 0.000 2.385 100 Y HA 0.526 5.084 4.550 0.013 0.000 0.341 100 Y C -0.130 175.629 175.900 -0.236 0.000 0.965 100 Y CA -0.359 57.420 58.100 -0.534 0.000 1.180 100 Y CB 1.172 38.795 38.460 -1.394 0.000 1.139 100 Y HN 0.568 nan 8.280 nan 0.000 0.502 101 T N 5.292 119.388 114.554 -0.764 0.000 2.900 101 T HA 0.250 4.608 4.350 0.014 0.000 0.295 101 T C 0.201 174.423 174.700 -0.796 0.000 1.044 101 T CA -0.648 60.995 62.100 -0.762 0.000 0.995 101 T CB 1.264 69.923 68.868 -0.349 0.000 1.072 101 T HN 0.785 nan 8.240 nan 0.000 0.473 102 N N 2.166 120.458 118.700 -0.678 0.000 2.244 102 N HA 0.038 4.786 4.740 0.014 0.000 0.189 102 N C 1.427 176.764 175.510 -0.288 0.000 1.047 102 N CA 1.594 54.398 53.050 -0.410 0.000 0.870 102 N CB -0.235 38.026 38.487 -0.376 0.000 1.041 102 N HN 0.450 nan 8.380 nan 0.000 0.448 103 V N 0.054 119.743 119.914 -0.376 0.000 2.735 103 V HA 0.168 4.296 4.120 0.014 0.000 0.234 103 V C 0.455 176.277 176.094 -0.453 0.000 1.121 103 V CA 0.474 62.494 62.300 -0.467 0.000 1.160 103 V CB -0.855 30.576 31.823 -0.654 0.000 0.908 103 V HN 0.166 nan 8.190 nan 0.000 0.495 104 T N 1.783 116.124 114.554 -0.356 0.000 2.831 104 T HA 0.109 4.467 4.350 0.014 0.000 0.291 104 T C -0.328 174.241 174.700 -0.219 0.000 0.981 104 T CA 0.377 62.331 62.100 -0.243 0.000 1.174 104 T CB -0.471 68.290 68.868 -0.177 0.000 0.929 104 T HN 0.175 nan 8.240 nan 0.000 0.532 105 Y N 5.112 125.314 120.300 -0.163 0.000 2.805 105 Y HA 0.047 4.605 4.550 0.014 0.000 0.337 105 Y C -0.703 175.075 175.900 -0.205 0.000 1.252 105 Y CA -1.427 56.568 58.100 -0.174 0.000 1.515 105 Y CB 0.267 38.614 38.460 -0.189 0.000 1.305 105 Y HN 0.522 nan 8.280 nan 0.000 0.600 106 P HA -0.024 nan 4.420 nan 0.000 0.242 106 P C -0.334 176.735 177.300 -0.384 0.000 1.197 106 P CA 1.122 64.118 63.100 -0.173 0.000 0.765 106 P CB -0.088 31.559 31.700 -0.089 0.000 0.936 107 I N -5.531 114.805 120.570 -0.390 0.000 3.042 107 I HA 0.484 4.663 4.170 0.014 0.000 0.310 107 I C -0.609 175.378 176.117 -0.216 0.000 1.117 107 I CA -1.271 59.769 61.300 -0.434 0.000 1.003 107 I CB 1.708 39.301 38.000 -0.679 0.000 1.228 107 I HN -0.478 nan 8.210 nan 0.000 0.443 108 T N 2.947 117.414 114.554 -0.146 0.000 2.867 108 T HA 0.123 4.481 4.350 0.014 0.000 0.297 108 T C 0.353 175.037 174.700 -0.027 0.000 0.989 108 T CA -0.261 61.806 62.100 -0.056 0.000 1.159 108 T CB 0.351 69.209 68.868 -0.015 0.000 0.928 108 T HN 0.393 nan 8.240 nan 0.000 0.538 109 V N 5.103 125.012 119.914 -0.008 0.000 2.356 109 V HA 0.099 4.227 4.120 0.014 0.000 0.244 109 V C 0.868 177.003 176.094 0.069 0.000 1.120 109 V CA 0.019 62.332 62.300 0.022 0.000 1.181 109 V CB -0.983 30.846 31.823 0.011 0.000 1.244 109 V HN 0.778 nan 8.190 nan 0.000 0.487 110 N N 5.483 124.283 118.700 0.166 0.000 2.711 110 N HA 0.275 5.023 4.740 0.014 0.000 0.263 110 N C -2.835 172.721 175.510 0.078 0.000 1.667 110 N CA -1.539 51.595 53.050 0.141 0.000 0.785 110 N CB 1.560 40.164 38.487 0.195 0.000 1.231 110 N HN 0.274 nan 8.380 nan 0.000 0.503 111 P HA 0.242 nan 4.420 nan 0.000 0.271 111 P C -2.092 175.012 177.300 -0.326 0.000 1.220 111 P CA -0.747 61.987 63.100 -0.610 0.000 0.768 111 P CB 0.992 32.269 31.700 -0.705 0.000 0.848 112 P HA 0.186 nan 4.420 nan 0.000 0.267 112 P C -0.197 177.016 177.300 -0.145 0.000 1.289 112 P CA -0.151 62.723 63.100 -0.376 0.000 0.866 112 P CB 0.183 31.638 31.700 -0.408 0.000 1.309 113 F N 1.450 121.480 119.950 0.133 0.000 2.418 113 F HA 0.223 4.759 4.527 0.014 0.000 0.341 113 F C 1.402 177.371 175.800 0.282 0.000 1.120 113 F CA -0.641 57.466 58.000 0.178 0.000 1.232 113 F CB 0.330 39.386 39.000 0.094 0.000 1.175 113 F HN -0.222 nan 8.300 nan 0.000 0.569 114 V N -0.499 119.697 119.914 0.470 0.000 3.166 114 V HA 0.719 4.847 4.120 0.014 0.000 0.317 114 V C -2.708 173.551 176.094 0.274 0.000 1.136 114 V CA -2.963 59.538 62.300 0.333 0.000 1.035 114 V CB 1.250 33.326 31.823 0.422 0.000 1.110 114 V HN 0.498 nan 8.190 nan 0.000 0.450 115 P HA 0.211 nan 4.420 nan 0.000 0.269 115 P C 1.038 178.474 177.300 0.227 0.000 1.209 115 P CA 0.405 63.597 63.100 0.154 0.000 0.776 115 P CB 0.561 32.320 31.700 0.098 0.000 0.876 116 T N -1.122 113.535 114.554 0.171 0.000 2.788 116 T HA -0.130 4.228 4.350 0.014 0.000 0.268 116 T C 0.600 175.398 174.700 0.163 0.000 1.044 116 T CA 0.963 63.165 62.100 0.170 0.000 1.139 116 T CB -0.582 68.351 68.868 0.108 0.000 0.867 116 T HN 0.401 nan 8.240 nan 0.000 0.454 117 E N 2.752 123.047 120.200 0.158 0.000 1.865 117 E HA 0.200 4.558 4.350 0.014 0.000 0.269 117 E C -0.691 176.054 176.600 0.243 0.000 1.177 117 E CA -0.288 56.211 56.400 0.165 0.000 0.932 117 E CB -0.001 29.797 29.700 0.164 0.000 1.066 117 E HN 0.283 nan 8.360 nan 0.000 0.405 118 N N 4.070 122.886 118.700 0.193 0.000 2.626 118 N HA 0.222 4.970 4.740 0.014 0.000 0.249 118 N C -2.834 172.690 175.510 0.024 0.000 1.021 118 N CA -2.454 50.740 53.050 0.241 0.000 0.886 118 N CB 1.054 39.673 38.487 0.221 0.000 1.149 118 N HN 0.008 nan 8.380 nan 0.000 0.517 119 P HA 0.001 nan 4.420 nan 0.000 0.260 119 P C -0.882 176.265 177.300 -0.255 0.000 1.172 119 P CA 0.508 63.515 63.100 -0.156 0.000 0.760 119 P CB 0.396 32.286 31.700 0.317 0.000 0.773 120 T N 2.748 116.894 114.554 -0.680 0.000 2.792 120 T HA 0.547 4.906 4.350 0.014 0.000 0.280 120 T C 0.334 174.505 174.700 -0.881 0.000 0.990 120 T CA -0.581 61.200 62.100 -0.532 0.000 0.960 120 T CB 1.531 70.159 68.868 -0.399 0.000 0.939 120 T HN 0.335 nan 8.240 nan 0.000 0.439 121 G N 1.268 109.683 108.800 -0.642 0.000 2.377 121 G HA2 0.463 4.432 3.960 0.014 0.000 0.316 121 G HA3 0.463 4.432 3.960 0.014 0.000 0.316 121 G C -0.168 174.554 174.900 -0.298 0.000 1.115 121 G CA -0.373 44.335 45.100 -0.654 0.000 0.952 121 G HN 0.877 nan 8.290 nan 0.000 0.441 122 C N 3.242 122.069 119.300 -0.788 0.000 2.246 122 C HA 0.473 4.941 4.460 0.014 0.000 0.329 122 C C -0.458 174.442 174.990 -0.151 0.000 1.221 122 C CA -0.843 57.839 59.018 -0.561 0.000 1.697 122 C CB -1.675 25.324 27.740 -1.234 0.000 2.312 122 C HN 0.634 nan 8.230 nan 0.000 0.509 123 Y N 1.967 122.584 120.300 0.529 0.000 2.446 123 Y HA 0.638 5.197 4.550 0.014 0.000 0.338 123 Y C 0.729 177.139 175.900 0.849 0.000 1.055 123 Y CA -0.183 58.357 58.100 0.734 0.000 1.101 123 Y CB 1.595 40.456 38.460 0.668 0.000 1.221 123 Y HN 0.692 nan 8.280 nan 0.000 0.460 124 S N 2.302 118.528 115.700 0.877 0.000 2.579 124 S HA 0.830 5.308 4.470 0.014 0.000 0.272 124 S C -1.950 172.687 174.600 0.061 0.000 1.141 124 S CA -0.805 57.654 58.200 0.432 0.000 0.843 124 S CB 2.220 65.590 63.200 0.284 0.000 1.122 124 S HN 0.602 nan 8.310 nan 0.000 0.468 125 L N 0.961 122.032 121.223 -0.252 0.000 2.526 125 L HA 0.650 4.998 4.340 0.014 0.000 0.263 125 L C -1.076 175.718 176.870 -0.126 0.000 0.943 125 L CA 0.102 54.653 54.840 -0.482 0.000 0.859 125 L CB 2.290 43.542 42.059 -1.345 0.000 1.313 125 L HN 0.922 nan 8.230 nan 0.000 0.406 126 T N 5.558 120.078 114.554 -0.057 0.000 2.744 126 T HA 0.677 5.035 4.350 0.014 0.000 0.291 126 T C -0.668 174.086 174.700 0.090 0.000 0.957 126 T CA 0.025 62.140 62.100 0.024 0.000 1.002 126 T CB 0.130 68.983 68.868 -0.024 0.000 0.919 126 T HN 0.422 nan 8.240 nan 0.000 0.468 127 F N 1.042 120.917 119.950 -0.125 0.000 2.650 127 F HA 0.699 5.234 4.527 0.014 0.000 0.320 127 F C -0.825 174.922 175.800 -0.089 0.000 1.091 127 F CA -1.432 56.499 58.000 -0.114 0.000 0.962 127 F CB 1.478 40.403 39.000 -0.125 0.000 1.363 127 F HN 0.281 nan 8.300 nan 0.000 0.482 128 N N 0.410 119.032 118.700 -0.129 0.000 2.265 128 N HA 0.685 5.433 4.740 0.014 0.000 0.300 128 N C -1.617 173.803 175.510 -0.151 0.000 1.148 128 N CA -0.659 52.252 53.050 -0.232 0.000 0.772 128 N CB 2.976 41.371 38.487 -0.154 0.000 1.434 128 N HN 0.490 nan 8.380 nan 0.000 0.481 129 V N -0.338 119.454 119.914 -0.202 0.000 2.881 129 V HA 0.279 4.408 4.120 0.014 0.000 0.316 129 V C 0.322 176.221 176.094 -0.325 0.000 1.070 129 V CA -0.976 61.184 62.300 -0.235 0.000 0.976 129 V CB 2.017 33.797 31.823 -0.072 0.000 1.038 129 V HN 0.610 nan 8.190 nan 0.000 0.446 130 D N 0.850 120.888 120.400 -0.603 0.000 2.399 130 D HA 0.008 4.657 4.640 0.014 0.000 0.241 130 D C 0.936 177.114 176.300 -0.203 0.000 1.133 130 D CA 0.015 53.733 54.000 -0.471 0.000 0.890 130 D CB 1.748 42.107 40.800 -0.734 0.000 1.201 130 D HN 0.782 nan 8.370 nan 0.000 0.432 131 E N 1.698 121.838 120.200 -0.100 0.000 2.070 131 E HA -0.220 4.138 4.350 0.014 0.000 0.197 131 E C 1.850 178.479 176.600 0.047 0.000 1.004 131 E CA 2.253 58.641 56.400 -0.021 0.000 0.805 131 E CB -0.281 29.409 29.700 -0.016 0.000 0.744 131 E HN 0.474 nan 8.360 nan 0.000 0.451 132 S N -0.903 114.847 115.700 0.084 0.000 2.419 132 S HA -0.153 4.325 4.470 0.014 0.000 0.233 132 S C 1.785 176.499 174.600 0.190 0.000 1.016 132 S CA 0.961 59.247 58.200 0.144 0.000 0.974 132 S CB -0.843 62.455 63.200 0.163 0.000 0.786 132 S HN 0.385 nan 8.310 nan 0.000 0.492 133 W N 1.881 123.050 121.300 -0.219 0.000 2.402 133 W HA 0.268 4.936 4.660 0.014 0.000 0.286 133 W C 2.056 178.551 176.519 -0.040 0.000 1.221 133 W CA -0.210 56.936 57.345 -0.333 0.000 1.257 133 W CB -0.863 28.382 29.460 -0.358 0.000 1.120 133 W HN 0.303 nan 8.180 nan 0.000 0.551 134 L N -0.585 120.758 121.223 0.201 0.000 2.095 134 L HA -0.142 4.206 4.340 0.014 0.000 0.204 134 L C 2.474 179.411 176.870 0.112 0.000 1.080 134 L CA 1.030 55.952 54.840 0.136 0.000 0.759 134 L CB -1.074 41.032 42.059 0.079 0.000 0.914 134 L HN -0.039 nan 8.230 nan 0.000 0.439 135 Q N -0.191 119.672 119.800 0.104 0.000 1.985 135 Q HA -0.125 4.224 4.340 0.014 0.000 0.207 135 Q C 0.344 176.401 176.000 0.094 0.000 0.996 135 Q CA 1.332 57.187 55.803 0.085 0.000 0.851 135 Q CB 0.224 29.010 28.738 0.080 0.000 0.921 135 Q HN 0.353 nan 8.270 nan 0.000 0.418 136 E N -2.374 117.905 120.200 0.131 0.000 2.458 136 E HA 0.517 4.876 4.350 0.014 0.000 0.278 136 E C -0.479 176.244 176.600 0.206 0.000 1.004 136 E CA 0.232 56.707 56.400 0.124 0.000 0.823 136 E CB 2.020 31.771 29.700 0.086 0.000 1.396 136 E HN 0.316 nan 8.360 nan 0.000 0.463 137 G N 0.850 109.696 108.800 0.076 0.000 2.631 137 G HA2 -0.178 3.790 3.960 0.014 0.000 0.504 137 G HA3 -0.178 3.790 3.960 0.014 0.000 0.504 137 G C -0.966 173.862 174.900 -0.120 0.000 1.306 137 G CA -0.444 44.589 45.100 -0.112 0.000 0.897 137 G HN 0.387 nan 8.290 nan 0.000 0.520 138 Q N 0.059 119.654 119.800 -0.341 0.000 2.368 138 Q HA 0.579 4.927 4.340 0.014 0.000 0.263 138 Q C -0.763 175.147 176.000 -0.151 0.000 1.009 138 Q CA -0.380 55.324 55.803 -0.166 0.000 0.818 138 Q CB 0.998 29.644 28.738 -0.153 0.000 1.239 138 Q HN 0.560 nan 8.270 nan 0.000 0.464 139 T N 5.428 120.026 114.554 0.074 0.000 2.781 139 T HA 0.367 4.726 4.350 0.014 0.000 0.305 139 T C -0.285 174.504 174.700 0.148 0.000 1.001 139 T CA -0.517 61.669 62.100 0.144 0.000 0.950 139 T CB 0.235 69.308 68.868 0.343 0.000 0.955 139 T HN 0.564 nan 8.240 nan 0.000 0.471 140 R N 3.073 123.631 120.500 0.098 0.000 2.720 140 R HA 0.749 5.097 4.340 0.014 0.000 0.272 140 R C -0.859 175.515 176.300 0.123 0.000 0.991 140 R CA -0.948 55.226 56.100 0.122 0.000 1.010 140 R CB 1.339 31.691 30.300 0.088 0.000 1.141 140 R HN 0.513 nan 8.270 nan 0.000 0.494 141 I N 2.722 123.378 120.570 0.143 0.000 2.377 141 I HA 0.386 4.565 4.170 0.014 0.000 0.293 141 I C -0.947 175.200 176.117 0.051 0.000 0.987 141 I CA -1.225 60.113 61.300 0.064 0.000 1.185 141 I CB 1.234 39.281 38.000 0.079 0.000 1.341 141 I HN 0.606 nan 8.210 nan 0.000 0.455 142 I N 7.474 127.974 120.570 -0.116 0.000 2.378 142 I HA 0.286 4.464 4.170 0.014 0.000 0.291 142 I C -1.175 174.760 176.117 -0.303 0.000 0.992 142 I CA -0.416 60.824 61.300 -0.100 0.000 1.154 142 I CB 1.284 39.239 38.000 -0.075 0.000 1.315 142 I HN 0.419 nan 8.210 nan 0.000 0.448 143 F N 4.558 124.492 119.950 -0.027 0.000 2.311 143 F HA 0.266 4.802 4.527 0.013 0.000 0.371 143 F C 1.203 176.893 175.800 -0.183 0.000 1.083 143 F CA -0.502 57.416 58.000 -0.137 0.000 1.113 143 F CB 0.726 39.609 39.000 -0.195 0.000 1.349 143 F HN 0.458 nan 8.300 nan 0.000 0.470 144 D N 2.245 122.570 120.400 -0.125 0.000 2.178 144 D HA 0.001 4.649 4.640 0.014 0.000 0.201 144 D C 1.121 177.265 176.300 -0.260 0.000 0.980 144 D CA 1.022 54.904 54.000 -0.198 0.000 0.842 144 D CB 0.327 40.960 40.800 -0.277 0.000 0.948 144 D HN 0.587 nan 8.370 nan 0.000 0.472 145 G N -0.262 108.319 108.800 -0.367 0.000 2.513 145 G HA2 0.458 4.426 3.960 0.014 0.000 0.282 145 G HA3 0.458 4.426 3.960 0.014 0.000 0.282 145 G C -1.315 173.334 174.900 -0.419 0.000 1.397 145 G CA -0.399 44.350 45.100 -0.585 0.000 1.291 145 G HN -0.049 nan 8.290 nan 0.000 0.596 146 V N 2.393 122.247 119.914 -0.100 0.000 2.531 146 V HA 0.547 4.675 4.120 0.014 0.000 0.301 146 V C -0.776 175.396 176.094 0.130 0.000 1.034 146 V CA -1.212 61.038 62.300 -0.084 0.000 0.865 146 V CB 1.983 33.495 31.823 -0.519 0.000 0.995 146 V HN 0.662 nan 8.190 nan 0.000 0.424 147 N N 2.346 121.103 118.700 0.095 0.000 2.443 147 N HA 0.339 5.087 4.740 0.014 0.000 0.269 147 N C 0.556 176.002 175.510 -0.107 0.000 0.985 147 N CA 0.090 53.114 53.050 -0.043 0.000 0.921 147 N CB 2.196 40.502 38.487 -0.301 0.000 1.195 147 N HN 0.708 nan 8.380 nan 0.000 0.492 148 S N 1.716 117.396 115.700 -0.033 0.000 2.526 148 S HA 0.577 5.055 4.470 0.014 0.000 0.220 148 S C 0.362 175.032 174.600 0.117 0.000 1.017 148 S CA -0.036 58.194 58.200 0.049 0.000 0.930 148 S CB 0.402 63.647 63.200 0.075 0.000 0.856 148 S HN 0.637 nan 8.310 nan 0.000 0.497 149 A N 0.997 123.897 122.820 0.133 0.000 2.606 149 A HA 0.782 5.110 4.320 0.014 0.000 0.293 149 A C -1.415 176.274 177.584 0.174 0.000 1.082 149 A CA -0.929 51.164 52.037 0.094 0.000 0.685 149 A CB 1.033 20.116 19.000 0.137 0.000 1.284 149 A HN 1.023 nan 8.150 nan 0.000 0.408 150 F N -0.498 119.271 119.950 -0.303 0.000 2.678 150 F HA 0.714 5.249 4.527 0.013 0.000 0.308 150 F C -1.185 174.470 175.800 -0.242 0.000 1.118 150 F CA -0.789 57.113 58.000 -0.164 0.000 0.959 150 F CB 0.997 39.901 39.000 -0.161 0.000 1.305 150 F HN 0.613 nan 8.300 nan 0.000 0.443 151 H N 2.344 121.497 119.070 0.139 0.000 2.463 151 H HA 0.677 5.241 4.556 0.014 0.000 0.332 151 H C -1.275 173.958 175.328 -0.159 0.000 1.127 151 H CA -0.645 55.359 56.048 -0.074 0.000 1.238 151 H CB 2.454 32.202 29.762 -0.023 0.000 1.478 151 H HN 0.792 nan 8.280 nan 0.000 0.499 152 L N 3.253 124.208 121.223 -0.447 0.000 2.341 152 L HA 0.382 4.730 4.340 0.014 0.000 0.278 152 L C -1.420 175.093 176.870 -0.594 0.000 1.005 152 L CA -0.487 54.149 54.840 -0.341 0.000 0.818 152 L CB 1.225 42.990 42.059 -0.491 0.000 1.259 152 L HN 0.506 nan 8.230 nan 0.000 0.418 153 W N 4.215 125.466 121.300 -0.082 0.000 2.781 153 W HA 0.604 5.272 4.660 0.014 0.000 0.345 153 W C -1.076 175.357 176.519 -0.143 0.000 1.085 153 W CA -0.777 56.493 57.345 -0.124 0.000 1.198 153 W CB 2.030 31.460 29.460 -0.050 0.000 1.423 153 W HN 0.550 nan 8.180 nan 0.000 0.532 154 C N 4.058 123.393 119.300 0.057 0.000 2.481 154 C HA 0.275 4.743 4.460 0.014 0.000 0.324 154 C C 0.302 175.391 174.990 0.166 0.000 1.170 154 C CA -0.408 58.657 59.018 0.079 0.000 1.361 154 C CB -0.269 27.455 27.740 -0.028 0.000 1.977 154 C HN 0.810 nan 8.230 nan 0.000 0.459 155 N N 3.475 122.253 118.700 0.130 0.000 2.708 155 N HA -0.206 4.542 4.740 0.014 0.000 0.251 155 N C 1.027 176.595 175.510 0.097 0.000 1.017 155 N CA 2.000 55.106 53.050 0.092 0.000 0.742 155 N CB -1.207 37.341 38.487 0.102 0.000 0.943 155 N HN 1.744 nan 8.380 nan 0.000 0.539 156 G N -1.268 107.580 108.800 0.080 0.000 2.268 156 G HA2 -0.356 3.612 3.960 0.014 0.000 0.240 156 G HA3 -0.356 3.612 3.960 0.014 0.000 0.240 156 G C 0.183 175.223 174.900 0.233 0.000 1.010 156 G CA 0.469 45.611 45.100 0.070 0.000 0.618 156 G HN 0.528 nan 8.290 nan 0.000 0.516 157 R N -0.634 120.060 120.500 0.322 0.000 2.404 157 R HA 0.437 4.786 4.340 0.014 0.000 0.291 157 R C -0.196 176.382 176.300 0.463 0.000 1.025 157 R CA -0.744 55.622 56.100 0.443 0.000 0.991 157 R CB 0.875 31.484 30.300 0.516 0.000 1.053 157 R HN 0.261 nan 8.270 nan 0.000 0.479 158 W N 3.483 124.946 121.300 0.272 0.000 2.253 158 W HA 0.119 4.787 4.660 0.014 0.000 0.322 158 W C 0.048 176.430 176.519 -0.229 0.000 1.342 158 W CA -0.106 57.130 57.345 -0.182 0.000 1.218 158 W CB 0.695 30.041 29.460 -0.190 0.000 1.205 158 W HN 0.315 nan 8.180 nan 0.000 0.551 159 V N 5.178 124.305 119.914 -1.311 0.000 2.599 159 V HA 0.541 4.670 4.120 0.014 0.000 0.237 159 V C 1.028 176.139 176.094 -1.640 0.000 1.081 159 V CA 1.024 62.536 62.300 -1.314 0.000 1.107 159 V CB -0.481 30.628 31.823 -1.190 0.000 0.808 159 V HN 0.789 nan 8.190 nan 0.000 0.486 160 G N -1.909 105.672 108.800 -2.033 0.000 2.488 160 G HA2 0.489 4.458 3.960 0.014 0.000 0.301 160 G HA3 0.489 4.458 3.960 0.014 0.000 0.301 160 G C -2.444 171.993 174.900 -0.773 0.000 1.339 160 G CA -0.371 43.867 45.100 -1.437 0.000 0.803 160 G HN 0.025 nan 8.290 nan 0.000 0.482 161 Y N -0.461 119.636 120.300 -0.339 0.000 2.512 161 Y HA 0.710 5.268 4.550 0.014 0.000 0.348 161 Y C 0.066 175.816 175.900 -0.250 0.000 0.990 161 Y CA -0.058 57.818 58.100 -0.374 0.000 1.033 161 Y CB 2.387 40.755 38.460 -0.153 0.000 1.259 161 Y HN 1.044 nan 8.280 nan 0.000 0.461 162 G N 3.671 111.711 108.800 -1.265 0.000 2.696 162 G HA2 0.585 4.554 3.960 0.014 0.000 0.295 162 G HA3 0.585 4.554 3.960 0.014 0.000 0.295 162 G C -2.103 172.361 174.900 -0.726 0.000 1.398 162 G CA -0.790 43.864 45.100 -0.744 0.000 0.920 162 G HN 0.632 nan 8.290 nan 0.000 0.492 163 Q N -0.452 119.195 119.800 -0.254 0.000 2.683 163 Q HA 0.552 4.900 4.340 0.014 0.000 0.302 163 Q C -1.526 174.497 176.000 0.038 0.000 1.042 163 Q CA -0.801 54.962 55.803 -0.068 0.000 0.773 163 Q CB 2.775 31.527 28.738 0.023 0.000 1.508 163 Q HN 0.690 nan 8.270 nan 0.000 0.459 164 D N -0.263 120.189 120.400 0.087 0.000 4.874 164 D HA -0.096 4.553 4.640 0.014 0.000 0.228 164 D C -0.520 175.851 176.300 0.119 0.000 1.423 164 D CA 0.593 54.654 54.000 0.103 0.000 1.130 164 D CB -0.424 40.420 40.800 0.073 0.000 0.564 164 D HN 0.533 nan 8.370 nan 0.000 0.272 165 S N 3.575 119.356 115.700 0.135 0.000 2.515 165 S HA -0.042 4.436 4.470 0.014 0.000 0.231 165 S C 1.573 176.318 174.600 0.242 0.000 0.987 165 S CA 0.568 58.875 58.200 0.180 0.000 0.936 165 S CB 0.289 63.548 63.200 0.098 0.000 0.766 165 S HN 0.473 nan 8.310 nan 0.000 0.528 166 R N 0.028 120.628 120.500 0.168 0.000 2.476 166 R HA 0.427 4.775 4.340 0.014 0.000 0.276 166 R C -0.362 176.006 176.300 0.112 0.000 0.941 166 R CA 0.058 56.263 56.100 0.175 0.000 1.088 166 R CB 0.237 30.664 30.300 0.212 0.000 1.216 166 R HN 0.320 nan 8.270 nan 0.000 0.533 167 L N 2.200 123.460 121.223 0.062 0.000 2.370 167 L HA 0.489 4.837 4.340 0.014 0.000 0.266 167 L C -2.332 174.520 176.870 -0.031 0.000 1.002 167 L CA -2.259 52.585 54.840 0.005 0.000 0.818 167 L CB 2.903 44.959 42.059 -0.004 0.000 1.325 167 L HN -0.223 nan 8.230 nan 0.000 0.418 168 P HA 0.057 nan 4.420 nan 0.000 0.268 168 P C -0.897 176.368 177.300 -0.058 0.000 1.205 168 P CA -0.139 62.913 63.100 -0.080 0.000 0.771 168 P CB 1.029 32.641 31.700 -0.147 0.000 0.858 169 S N 2.015 117.741 115.700 0.043 0.000 2.456 169 S HA 0.293 4.771 4.470 0.014 0.000 0.316 169 S C -0.355 174.205 174.600 -0.066 0.000 1.089 169 S CA -0.533 57.665 58.200 -0.003 0.000 1.101 169 S CB 0.731 64.103 63.200 0.285 0.000 0.995 169 S HN 0.366 nan 8.310 nan 0.000 0.468 170 E N 2.071 122.030 120.200 -0.401 0.000 2.199 170 E HA 0.565 4.924 4.350 0.014 0.000 0.269 170 E C -1.435 174.783 176.600 -0.637 0.000 0.899 170 E CA -0.505 55.721 56.400 -0.290 0.000 0.772 170 E CB 1.578 31.216 29.700 -0.102 0.000 1.155 170 E HN 0.429 nan 8.360 nan 0.000 0.408 171 F N 0.755 120.764 119.950 0.099 0.000 2.569 171 F HA 0.204 4.740 4.527 0.014 0.000 0.312 171 F C -0.031 175.809 175.800 0.066 0.000 1.109 171 F CA -1.150 56.878 58.000 0.047 0.000 0.919 171 F CB 1.579 40.574 39.000 -0.009 0.000 1.211 171 F HN 0.272 nan 8.300 nan 0.000 0.446 172 D N 2.652 123.198 120.400 0.243 0.000 2.348 172 D HA 0.256 4.904 4.640 0.014 0.000 0.253 172 D C 0.230 176.702 176.300 0.286 0.000 1.161 172 D CA 0.365 54.492 54.000 0.212 0.000 0.876 172 D CB 1.105 42.006 40.800 0.168 0.000 1.160 172 D HN 0.588 nan 8.370 nan 0.000 0.459 173 L N 2.613 124.008 121.223 0.287 0.000 2.808 173 L HA 0.065 4.413 4.340 0.014 0.000 0.246 173 L C 2.031 179.137 176.870 0.393 0.000 1.153 173 L CA -0.161 54.907 54.840 0.378 0.000 0.956 173 L CB 0.203 42.438 42.059 0.293 0.000 1.270 173 L HN 0.270 nan 8.230 nan 0.000 0.528 174 S N 1.358 117.225 115.700 0.278 0.000 2.365 174 S HA -0.240 4.238 4.470 0.014 0.000 0.225 174 S C 2.016 176.700 174.600 0.139 0.000 1.039 174 S CA 1.791 60.107 58.200 0.193 0.000 1.033 174 S CB -0.142 63.132 63.200 0.124 0.000 0.887 174 S HN 0.533 nan 8.310 nan 0.000 0.447 175 A N -0.556 122.301 122.820 0.062 0.000 2.238 175 A HA 0.316 4.645 4.320 0.014 0.000 0.208 175 A C 1.354 178.779 177.584 -0.265 0.000 1.177 175 A CA 0.372 52.325 52.037 -0.139 0.000 0.804 175 A CB -0.497 18.340 19.000 -0.272 0.000 0.823 175 A HN 0.486 nan 8.150 nan 0.000 0.482 176 F N -0.737 119.262 119.950 0.082 0.000 2.602 176 F HA 0.332 4.867 4.527 0.014 0.000 0.284 176 F C 0.776 176.625 175.800 0.082 0.000 1.111 176 F CA -0.221 57.829 58.000 0.083 0.000 1.405 176 F CB 0.043 39.100 39.000 0.095 0.000 1.121 176 F HN -0.050 nan 8.300 nan 0.000 0.603 177 L N 2.097 123.481 121.223 0.268 0.000 2.461 177 L HA 0.271 4.619 4.340 0.014 0.000 0.272 177 L C 0.268 177.190 176.870 0.086 0.000 1.197 177 L CA 0.009 54.953 54.840 0.174 0.000 0.836 177 L CB 0.637 42.817 42.059 0.202 0.000 1.105 177 L HN 0.169 nan 8.230 nan 0.000 0.477 178 R N 2.235 122.748 120.500 0.022 0.000 2.869 178 R HA 0.839 5.188 4.340 0.014 0.000 0.263 178 R C -1.045 175.227 176.300 -0.045 0.000 1.066 178 R CA -1.012 55.085 56.100 -0.005 0.000 0.960 178 R CB 1.194 31.490 30.300 -0.007 0.000 1.221 178 R HN 0.493 nan 8.270 nan 0.000 0.474 179 A N 0.549 123.346 122.820 -0.038 0.000 2.425 179 A HA 0.545 4.874 4.320 0.014 0.000 0.249 179 A C 1.010 178.547 177.584 -0.079 0.000 1.084 179 A CA 0.749 52.753 52.037 -0.054 0.000 0.781 179 A CB -0.579 18.400 19.000 -0.035 0.000 1.019 179 A HN 1.280 nan 8.150 nan 0.000 0.490 180 G N 1.196 109.937 108.800 -0.098 0.000 2.509 180 G HA2 -0.164 3.804 3.960 0.014 0.000 0.256 180 G HA3 -0.164 3.804 3.960 0.014 0.000 0.256 180 G C -0.214 174.589 174.900 -0.161 0.000 1.152 180 G CA 0.062 45.097 45.100 -0.108 0.000 0.951 180 G HN 0.942 nan 8.290 nan 0.000 0.559 181 E N 2.285 122.398 120.200 -0.146 0.000 2.324 181 E HA 0.264 4.622 4.350 0.014 0.000 0.271 181 E C 0.098 176.552 176.600 -0.242 0.000 1.028 181 E CA 0.002 56.293 56.400 -0.182 0.000 0.890 181 E CB 0.504 30.135 29.700 -0.116 0.000 1.004 181 E HN 0.443 nan 8.360 nan 0.000 0.431 182 N N 2.442 120.887 118.700 -0.424 0.000 2.319 182 N HA 0.356 5.104 4.740 0.014 0.000 0.305 182 N C -0.558 174.786 175.510 -0.277 0.000 1.103 182 N CA -0.559 52.205 53.050 -0.476 0.000 0.815 182 N CB 2.414 40.323 38.487 -0.964 0.000 1.288 182 N HN 0.209 nan 8.380 nan 0.000 0.493 183 R N 2.335 122.814 120.500 -0.035 0.000 2.502 183 R HA 0.414 4.762 4.340 0.014 0.000 0.300 183 R C -1.021 175.371 176.300 0.154 0.000 0.984 183 R CA -0.507 55.637 56.100 0.073 0.000 0.882 183 R CB 0.951 31.238 30.300 -0.020 0.000 1.180 183 R HN 0.479 nan 8.270 nan 0.000 0.444 184 L N 2.763 124.103 121.223 0.194 0.000 2.399 184 L HA 0.678 5.026 4.340 0.014 0.000 0.266 184 L C -0.029 176.898 176.870 0.095 0.000 1.114 184 L CA -0.680 54.258 54.840 0.163 0.000 0.804 184 L CB 1.674 43.814 42.059 0.135 0.000 1.146 184 L HN 0.710 nan 8.230 nan 0.000 0.451 185 A N 2.444 125.352 122.820 0.145 0.000 2.385 185 A HA 0.693 5.021 4.320 0.014 0.000 0.290 185 A C -1.115 176.767 177.584 0.498 0.000 1.094 185 A CA -0.417 51.630 52.037 0.018 0.000 0.729 185 A CB 1.414 20.041 19.000 -0.622 0.000 1.194 185 A HN 0.353 nan 8.150 nan 0.000 0.442 186 V N 3.572 123.954 119.914 0.779 0.000 2.376 186 V HA 0.439 4.567 4.120 0.014 0.000 0.287 186 V C -0.023 176.647 176.094 0.960 0.000 1.015 186 V CA -0.248 62.523 62.300 0.785 0.000 0.834 186 V CB 1.416 33.548 31.823 0.516 0.000 1.001 186 V HN 0.949 nan 8.190 nan 0.000 0.428 187 M N 6.013 126.190 119.600 0.962 0.000 2.055 187 M HA 0.524 5.012 4.480 0.014 0.000 0.347 187 M C -1.337 175.253 176.300 0.482 0.000 1.123 187 M CA -0.343 55.350 55.300 0.655 0.000 1.035 187 M CB 1.058 34.099 32.600 0.734 0.000 1.484 187 M HN 0.466 nan 8.290 nan 0.000 0.428 188 V N 6.791 126.950 119.914 0.408 0.000 2.394 188 V HA 0.400 4.528 4.120 0.014 0.000 0.282 188 V C -0.229 176.046 176.094 0.300 0.000 1.031 188 V CA -0.655 61.884 62.300 0.399 0.000 0.881 188 V CB 1.510 33.663 31.823 0.551 0.000 0.982 188 V HN 0.776 nan 8.190 nan 0.000 0.451 189 L N 4.939 126.271 121.223 0.183 0.000 2.295 189 L HA 0.542 4.890 4.340 0.014 0.000 0.285 189 L C 1.457 178.352 176.870 0.042 0.000 1.035 189 L CA -0.294 54.575 54.840 0.048 0.000 0.806 189 L CB 1.273 43.265 42.059 -0.112 0.000 1.214 189 L HN 0.601 nan 8.230 nan 0.000 0.426 190 R N 2.738 123.209 120.500 -0.048 0.000 2.066 190 R HA -0.023 4.325 4.340 0.014 0.000 0.232 190 R C -0.349 175.653 176.300 -0.496 0.000 1.131 190 R CA 1.109 56.948 56.100 -0.435 0.000 0.955 190 R CB 0.195 30.082 30.300 -0.688 0.000 0.851 190 R HN 0.577 nan 8.270 nan 0.000 0.432 191 W N 0.523 121.893 121.300 0.116 0.000 2.551 191 W HA 0.429 5.097 4.660 0.013 0.000 0.330 191 W C -0.374 176.265 176.519 0.199 0.000 1.063 191 W CA -0.808 56.613 57.345 0.127 0.000 1.222 191 W CB 1.713 31.247 29.460 0.124 0.000 1.349 191 W HN 0.034 nan 8.180 nan 0.000 0.536 192 S N -1.025 114.968 115.700 0.488 0.000 2.615 192 S HA 0.175 4.653 4.470 0.014 0.000 0.269 192 S C 0.092 174.966 174.600 0.455 0.000 1.161 192 S CA -0.524 57.975 58.200 0.497 0.000 0.817 192 S CB 1.228 64.693 63.200 0.441 0.000 1.131 192 S HN 0.623 nan 8.310 nan 0.000 0.467 193 D N 0.837 121.513 120.400 0.459 0.000 2.221 193 D HA 0.005 4.654 4.640 0.014 0.000 0.204 193 D C 1.799 178.437 176.300 0.562 0.000 0.982 193 D CA 1.509 55.829 54.000 0.533 0.000 0.857 193 D CB -0.833 40.121 40.800 0.256 0.000 0.934 193 D HN 0.745 nan 8.370 nan 0.000 0.475 194 G N -0.140 108.899 108.800 0.399 0.000 2.470 194 G HA2 -0.256 3.713 3.960 0.014 0.000 0.220 194 G HA3 -0.256 3.713 3.960 0.014 0.000 0.220 194 G C 1.693 176.788 174.900 0.325 0.000 1.121 194 G CA 0.769 46.073 45.100 0.340 0.000 0.766 194 G HN 0.332 nan 8.290 nan 0.000 0.553 195 S N -0.067 115.816 115.700 0.306 0.000 2.419 195 S HA -0.089 4.389 4.470 0.014 0.000 0.233 195 S C 1.926 176.635 174.600 0.182 0.000 1.016 195 S CA 0.750 59.090 58.200 0.235 0.000 0.974 195 S CB -0.366 62.972 63.200 0.230 0.000 0.786 195 S HN 0.530 nan 8.310 nan 0.000 0.492 196 Y N 1.206 121.631 120.300 0.208 0.000 2.352 196 Y HA 0.087 4.646 4.550 0.014 0.000 0.292 196 Y C 1.600 177.599 175.900 0.164 0.000 1.136 196 Y CA 0.639 58.777 58.100 0.063 0.000 1.227 196 Y CB -0.268 38.114 38.460 -0.130 0.000 0.991 196 Y HN 0.187 nan 8.280 nan 0.000 0.545 197 L N -0.200 121.224 121.223 0.334 0.000 2.653 197 L HA 0.124 4.472 4.340 0.014 0.000 0.231 197 L C -0.074 176.941 176.870 0.242 0.000 1.153 197 L CA 0.445 55.437 54.840 0.253 0.000 0.933 197 L CB 0.024 42.235 42.059 0.253 0.000 1.175 197 L HN 0.112 nan 8.230 nan 0.000 0.473 198 E N -0.193 120.166 120.200 0.266 0.000 4.052 198 E HA 0.049 4.408 4.350 0.014 0.000 0.219 198 E C -0.627 176.096 176.600 0.205 0.000 1.166 198 E CA -0.050 56.488 56.400 0.231 0.000 1.338 198 E CB 0.559 30.383 29.700 0.207 0.000 1.212 198 E HN 0.011 nan 8.360 nan 0.000 0.432 199 D N 1.225 121.709 120.400 0.141 0.000 3.071 199 D HA 0.057 4.705 4.640 0.014 0.000 0.259 199 D C -0.423 175.883 176.300 0.010 0.000 1.331 199 D CA -0.269 53.705 54.000 -0.044 0.000 0.861 199 D CB 0.196 40.727 40.800 -0.449 0.000 1.059 199 D HN 0.032 nan 8.370 nan 0.000 0.486 200 Q N 0.607 120.501 119.800 0.157 0.000 2.337 200 Q HA 0.141 4.489 4.340 0.014 0.000 0.270 200 Q C -0.242 175.888 176.000 0.215 0.000 1.002 200 Q CA -0.085 55.884 55.803 0.276 0.000 0.888 200 Q CB 0.776 29.850 28.738 0.561 0.000 1.222 200 Q HN 0.145 nan 8.270 nan 0.000 0.400 201 D N 3.801 124.332 120.400 0.219 0.000 2.380 201 D HA 0.160 4.808 4.640 0.014 0.000 0.270 201 D C -0.705 175.748 176.300 0.255 0.000 1.363 201 D CA 0.290 54.405 54.000 0.192 0.000 1.057 201 D CB -0.324 40.581 40.800 0.175 0.000 1.096 201 D HN 0.500 nan 8.370 nan 0.000 0.524 202 M N 1.025 120.759 119.600 0.224 0.000 2.956 202 M HA 0.337 4.826 4.480 0.014 0.000 0.272 202 M C -1.472 174.955 176.300 0.212 0.000 1.132 202 M CA -1.156 54.220 55.300 0.127 0.000 0.805 202 M CB 0.829 33.433 32.600 0.008 0.000 1.639 202 M HN -0.025 nan 8.290 nan 0.000 0.520 203 W N 2.193 123.606 121.300 0.188 0.000 2.257 203 W HA 0.273 4.942 4.660 0.014 0.000 0.337 203 W C 0.266 176.819 176.519 0.057 0.000 1.321 203 W CA -0.010 57.422 57.345 0.145 0.000 1.267 203 W CB 0.336 29.823 29.460 0.045 0.000 1.187 203 W HN 0.302 nan 8.180 nan 0.000 0.565 204 R N 5.115 125.803 120.500 0.313 0.000 2.215 204 R HA 0.440 4.788 4.340 0.014 0.000 0.337 204 R C -0.161 176.158 176.300 0.032 0.000 1.010 204 R CA -0.313 55.889 56.100 0.171 0.000 0.871 204 R CB 0.391 30.861 30.300 0.283 0.000 1.134 204 R HN 0.565 nan 8.270 nan 0.000 0.477 205 M N 0.296 119.801 119.600 -0.159 0.000 2.739 205 M HA 0.528 5.016 4.480 0.014 0.000 0.284 205 M C -0.078 175.883 176.300 -0.565 0.000 1.103 205 M CA -0.808 54.275 55.300 -0.361 0.000 0.809 205 M CB 2.138 34.515 32.600 -0.371 0.000 1.708 205 M HN 0.627 nan 8.290 nan 0.000 0.481 206 S N -1.298 113.925 115.700 -0.795 0.000 2.587 206 S HA 0.920 5.398 4.470 0.014 0.000 0.269 206 S C -0.592 173.457 174.600 -0.917 0.000 1.154 206 S CA -0.262 57.382 58.200 -0.928 0.000 0.824 206 S CB 1.609 64.081 63.200 -1.213 0.000 1.118 206 S HN 1.480 nan 8.310 nan 0.000 0.462 207 G N 0.114 108.623 108.800 -0.485 0.000 2.362 207 G HA2 0.127 4.095 3.960 0.014 0.000 0.517 207 G HA3 0.127 4.095 3.960 0.014 0.000 0.517 207 G C -1.303 173.555 174.900 -0.069 0.000 1.256 207 G CA -0.594 44.493 45.100 -0.022 0.000 1.027 207 G HN 1.227 nan 8.290 nan 0.000 0.491 208 I N 1.950 122.345 120.570 -0.291 0.000 2.256 208 I HA 0.302 4.480 4.170 0.014 0.000 0.294 208 I C 1.085 177.071 176.117 -0.219 0.000 1.127 208 I CA -0.193 60.858 61.300 -0.415 0.000 1.247 208 I CB -0.188 37.308 38.000 -0.840 0.000 1.460 208 I HN 0.513 nan 8.210 nan 0.000 0.511 209 F N 4.203 123.997 119.950 -0.260 0.000 2.678 209 F HA 0.488 5.023 4.527 0.013 0.000 0.305 209 F C 0.623 176.348 175.800 -0.125 0.000 1.090 209 F CA -0.569 57.314 58.000 -0.194 0.000 1.272 209 F CB 0.009 38.895 39.000 -0.189 0.000 1.060 209 F HN 0.124 nan 8.300 nan 0.000 0.576 210 R N 0.316 120.391 120.500 -0.709 0.000 2.930 210 R HA 0.252 4.601 4.340 0.014 0.000 0.257 210 R C -0.720 175.394 176.300 -0.310 0.000 1.107 210 R CA -1.144 54.666 56.100 -0.482 0.000 0.999 210 R CB 0.726 30.647 30.300 -0.632 0.000 1.209 210 R HN -0.048 nan 8.270 nan 0.000 0.486 211 D N 0.855 121.130 120.400 -0.209 0.000 2.478 211 D HA 0.075 4.723 4.640 0.014 0.000 0.234 211 D C -0.499 175.665 176.300 -0.226 0.000 1.154 211 D CA 0.521 54.422 54.000 -0.164 0.000 0.874 211 D CB 0.777 41.515 40.800 -0.104 0.000 1.198 211 D HN -0.008 nan 8.370 nan 0.000 0.455 212 V N 1.361 121.146 119.914 -0.216 0.000 2.495 212 V HA 0.569 4.697 4.120 0.014 0.000 0.298 212 V C 0.137 176.109 176.094 -0.203 0.000 1.031 212 V CA -0.508 61.596 62.300 -0.326 0.000 0.871 212 V CB 1.629 33.288 31.823 -0.273 0.000 0.988 212 V HN 0.766 nan 8.190 nan 0.000 0.432 213 S N 4.411 119.964 115.700 -0.245 0.000 2.625 213 S HA 0.834 5.312 4.470 0.014 0.000 0.271 213 S C -1.363 173.180 174.600 -0.095 0.000 1.161 213 S CA -0.968 57.161 58.200 -0.120 0.000 0.820 213 S CB 1.757 64.919 63.200 -0.063 0.000 1.137 213 S HN 0.442 nan 8.310 nan 0.000 0.470 214 L N 1.268 122.502 121.223 0.018 0.000 2.362 214 L HA 0.683 5.031 4.340 0.014 0.000 0.275 214 L C -1.465 175.509 176.870 0.174 0.000 0.998 214 L CA -0.827 54.087 54.840 0.125 0.000 0.820 214 L CB 1.744 43.958 42.059 0.258 0.000 1.270 214 L HN 0.644 nan 8.230 nan 0.000 0.415 215 L N 3.285 124.563 121.223 0.092 0.000 2.349 215 L HA 0.395 4.743 4.340 0.014 0.000 0.278 215 L C -0.547 176.234 176.870 -0.149 0.000 0.996 215 L CA -0.075 54.762 54.840 -0.005 0.000 0.825 215 L CB 1.218 43.282 42.059 0.007 0.000 1.243 215 L HN 0.502 nan 8.230 nan 0.000 0.412 216 H N 5.842 124.596 119.070 -0.527 0.000 2.724 216 H HA 0.330 4.895 4.556 0.014 0.000 0.278 216 H C -0.887 174.164 175.328 -0.462 0.000 1.159 216 H CA -0.645 54.934 56.048 -0.782 0.000 1.254 216 H CB 0.621 29.287 29.762 -1.827 0.000 1.412 216 H HN 0.512 nan 8.280 nan 0.000 0.488 217 K N 4.972 125.027 120.400 -0.575 0.000 2.087 217 K HA 0.322 4.650 4.320 0.014 0.000 0.255 217 K C -2.512 173.758 176.600 -0.550 0.000 0.988 217 K CA -1.878 54.136 56.287 -0.455 0.000 0.915 217 K CB 1.264 33.584 32.500 -0.300 0.000 1.043 217 K HN 0.482 nan 8.250 nan 0.000 0.457 218 P HA 0.117 nan 4.420 nan 0.000 0.272 218 P C 0.420 177.594 177.300 -0.211 0.000 1.240 218 P CA -0.136 62.804 63.100 -0.268 0.000 0.791 218 P CB 0.410 32.013 31.700 -0.162 0.000 0.978 219 T N -1.499 112.966 114.554 -0.150 0.000 2.857 219 T HA -0.027 4.332 4.350 0.014 0.000 0.266 219 T C 0.560 175.198 174.700 -0.103 0.000 1.048 219 T CA 1.447 63.481 62.100 -0.110 0.000 1.139 219 T CB -0.568 68.257 68.868 -0.072 0.000 0.874 219 T HN 0.408 nan 8.240 nan 0.000 0.455 220 T N 3.896 118.393 114.554 -0.096 0.000 2.747 220 T HA 0.432 4.790 4.350 0.014 0.000 0.301 220 T C -0.296 174.337 174.700 -0.111 0.000 0.952 220 T CA -0.592 61.446 62.100 -0.103 0.000 0.983 220 T CB 0.362 69.185 68.868 -0.074 0.000 0.930 220 T HN 0.485 nan 8.240 nan 0.000 0.494 221 Q N 2.229 121.949 119.800 -0.133 0.000 2.416 221 Q HA 0.622 4.970 4.340 0.014 0.000 0.281 221 Q C -1.126 174.788 176.000 -0.144 0.000 1.067 221 Q CA -1.136 54.575 55.803 -0.154 0.000 0.809 221 Q CB 1.377 30.001 28.738 -0.191 0.000 1.418 221 Q HN 0.461 nan 8.270 nan 0.000 0.411 222 I N 2.676 123.140 120.570 -0.177 0.000 2.505 222 I HA -0.031 4.147 4.170 0.014 0.000 0.287 222 I C 0.748 176.719 176.117 -0.244 0.000 1.104 222 I CA 0.289 61.493 61.300 -0.161 0.000 1.387 222 I CB 0.749 38.628 38.000 -0.201 0.000 1.404 222 I HN 0.923 nan 8.210 nan 0.000 0.528 223 S N 2.643 118.320 115.700 -0.038 0.000 2.506 223 S HA 0.214 4.692 4.470 0.014 0.000 0.219 223 S C 0.222 175.011 174.600 0.315 0.000 1.031 223 S CA -0.284 57.967 58.200 0.085 0.000 0.911 223 S CB 0.439 63.661 63.200 0.038 0.000 0.812 223 S HN 0.668 nan 8.310 nan 0.000 0.497 224 D N -0.096 120.458 120.400 0.256 0.000 2.706 224 D HA 0.553 5.201 4.640 0.014 0.000 0.225 224 D C -1.850 174.543 176.300 0.156 0.000 1.241 224 D CA -0.624 53.496 54.000 0.200 0.000 0.784 224 D CB 2.025 42.845 40.800 0.035 0.000 1.521 224 D HN 0.221 nan 8.370 nan 0.000 0.461 225 F N -0.252 119.640 119.950 -0.097 0.000 2.628 225 F HA 0.633 5.168 4.527 0.014 0.000 0.309 225 F C -1.553 174.126 175.800 -0.202 0.000 1.108 225 F CA -0.798 57.074 58.000 -0.214 0.000 0.971 225 F CB 1.196 40.175 39.000 -0.035 0.000 1.279 225 F HN 0.225 nan 8.300 nan 0.000 0.441 226 H N 1.601 120.737 119.070 0.111 0.000 2.529 226 H HA 0.731 5.295 4.556 0.014 0.000 0.348 226 H C -1.264 174.108 175.328 0.073 0.000 1.079 226 H CA -1.455 54.595 56.048 0.004 0.000 1.198 226 H CB 2.372 32.114 29.762 -0.033 0.000 1.521 226 H HN 0.633 nan 8.280 nan 0.000 0.514 227 V N 2.351 122.358 119.914 0.156 0.000 2.384 227 V HA 0.656 4.785 4.120 0.014 0.000 0.287 227 V C -0.068 176.019 176.094 -0.012 0.000 1.020 227 V CA -0.586 61.756 62.300 0.070 0.000 0.850 227 V CB 1.051 32.910 31.823 0.059 0.000 0.987 227 V HN 0.941 nan 8.190 nan 0.000 0.436 228 A N 3.473 126.264 122.820 -0.047 0.000 2.365 228 A HA 0.911 5.239 4.320 0.014 0.000 0.318 228 A C -0.017 177.467 177.584 -0.166 0.000 1.091 228 A CA -0.527 51.461 52.037 -0.082 0.000 0.763 228 A CB 1.787 20.759 19.000 -0.046 0.000 1.248 228 A HN 0.907 nan 8.150 nan 0.000 0.442 229 T N -0.070 114.366 114.554 -0.197 0.000 2.815 229 T HA 0.692 5.050 4.350 0.014 0.000 0.289 229 T C -0.371 174.130 174.700 -0.332 0.000 1.000 229 T CA -0.802 61.091 62.100 -0.346 0.000 0.958 229 T CB 0.766 69.336 68.868 -0.496 0.000 0.944 229 T HN 0.950 nan 8.240 nan 0.000 0.442 230 R N 2.012 122.247 120.500 -0.442 0.000 2.832 230 R HA 0.857 5.205 4.340 0.014 0.000 0.271 230 R C -1.548 174.405 176.300 -0.578 0.000 0.996 230 R CA -0.968 54.938 56.100 -0.323 0.000 0.977 230 R CB 1.286 31.518 30.300 -0.113 0.000 1.168 230 R HN 0.462 nan 8.270 nan 0.000 0.482 231 F N 0.121 120.040 119.950 -0.053 0.000 2.631 231 F HA 0.377 4.911 4.527 0.012 0.000 0.328 231 F C 0.372 176.030 175.800 -0.236 0.000 1.067 231 F CA -1.007 56.901 58.000 -0.153 0.000 0.969 231 F CB 1.242 40.050 39.000 -0.321 0.000 1.332 231 F HN 0.702 nan 8.300 nan 0.000 0.490 232 N N 0.018 118.694 118.700 -0.040 0.000 2.381 232 N HA 0.052 4.801 4.740 0.014 0.000 0.289 232 N C 0.439 175.815 175.510 -0.222 0.000 1.288 232 N CA 0.000 52.992 53.050 -0.097 0.000 0.960 232 N CB -0.211 38.253 38.487 -0.038 0.000 1.116 232 N HN 0.649 nan 8.380 nan 0.000 0.557 233 D N -1.814 118.513 120.400 -0.123 0.000 2.224 233 D HA -0.162 4.486 4.640 0.014 0.000 0.205 233 D C 0.127 176.392 176.300 -0.058 0.000 0.965 233 D CA 1.121 55.062 54.000 -0.100 0.000 0.852 233 D CB -0.489 40.297 40.800 -0.024 0.000 0.947 233 D HN 0.705 nan 8.370 nan 0.000 0.494 234 D N -1.646 118.752 120.400 -0.004 0.000 2.513 234 D HA 0.038 4.686 4.640 0.014 0.000 0.222 234 D C 0.149 176.639 176.300 0.318 0.000 1.210 234 D CA -0.916 53.188 54.000 0.172 0.000 0.825 234 D CB -0.981 39.894 40.800 0.126 0.000 1.037 234 D HN 0.087 nan 8.370 nan 0.000 0.506 235 F N 0.496 120.496 119.950 0.083 0.000 3.006 235 F HA -0.300 4.234 4.527 0.012 0.000 0.289 235 F C 1.682 177.559 175.800 0.128 0.000 0.772 235 F CA 0.864 58.925 58.000 0.102 0.000 1.162 235 F CB -2.461 36.491 39.000 -0.080 0.000 1.382 235 F HN 0.206 nan 8.300 nan 0.000 0.406 236 S N -1.250 114.569 115.700 0.199 0.000 2.562 236 S HA 0.242 4.720 4.470 0.014 0.000 0.221 236 S C 0.663 175.319 174.600 0.094 0.000 0.975 236 S CA 0.204 58.481 58.200 0.130 0.000 0.918 236 S CB 0.333 63.584 63.200 0.086 0.000 0.772 236 S HN 0.482 nan 8.310 nan 0.000 0.531 237 R N -0.049 120.517 120.500 0.110 0.000 2.651 237 R HA 0.771 5.119 4.340 0.014 0.000 0.278 237 R C -1.453 174.882 176.300 0.058 0.000 1.010 237 R CA -0.178 55.951 56.100 0.048 0.000 0.896 237 R CB 2.301 32.607 30.300 0.010 0.000 1.211 237 R HN 0.256 nan 8.270 nan 0.000 0.456 238 A N 1.709 124.502 122.820 -0.046 0.000 2.498 238 A HA 0.685 5.013 4.320 0.014 0.000 0.298 238 A C -1.330 176.176 177.584 -0.130 0.000 1.075 238 A CA -0.633 51.299 52.037 -0.175 0.000 0.714 238 A CB 1.949 20.809 19.000 -0.234 0.000 1.299 238 A HN 0.354 nan 8.150 nan 0.000 0.407 239 V N 2.213 122.025 119.914 -0.170 0.000 2.357 239 V HA 0.375 4.503 4.120 0.014 0.000 0.284 239 V C -0.237 175.793 176.094 -0.106 0.000 1.018 239 V CA -0.301 61.937 62.300 -0.104 0.000 0.841 239 V CB 1.133 32.898 31.823 -0.097 0.000 0.991 239 V HN 0.779 nan 8.190 nan 0.000 0.437 240 L N 4.760 125.961 121.223 -0.037 0.000 2.290 240 L HA 0.528 4.876 4.340 0.014 0.000 0.284 240 L C 0.127 176.955 176.870 -0.071 0.000 1.078 240 L CA 0.175 54.968 54.840 -0.079 0.000 0.815 240 L CB 0.886 42.931 42.059 -0.025 0.000 1.162 240 L HN 0.725 nan 8.230 nan 0.000 0.435 241 E N 4.282 124.434 120.200 -0.081 0.000 2.155 241 E HA 0.591 4.950 4.350 0.014 0.000 0.264 241 E C -1.317 175.274 176.600 -0.016 0.000 0.886 241 E CA -0.711 55.661 56.400 -0.046 0.000 0.752 241 E CB 1.575 31.248 29.700 -0.046 0.000 1.133 241 E HN 0.702 nan 8.360 nan 0.000 0.414 242 A N 4.765 127.582 122.820 -0.005 0.000 2.293 242 A HA 0.255 4.584 4.320 0.014 0.000 0.312 242 A C -0.461 177.132 177.584 0.014 0.000 1.309 242 A CA -0.627 51.427 52.037 0.028 0.000 0.839 242 A CB 0.810 19.822 19.000 0.020 0.000 1.155 242 A HN 0.703 nan 8.150 nan 0.000 0.501 243 E N 2.658 122.877 120.200 0.032 0.000 2.229 243 E HA 0.476 4.834 4.350 0.014 0.000 0.283 243 E C -1.209 175.368 176.600 -0.038 0.000 1.030 243 E CA -0.229 56.166 56.400 -0.008 0.000 0.836 243 E CB 0.925 30.636 29.700 0.018 0.000 1.068 243 E HN 0.373 nan 8.360 nan 0.000 0.401 244 V N 5.052 124.952 119.914 -0.024 0.000 2.540 244 V HA 0.267 4.396 4.120 0.014 0.000 0.302 244 V C -0.403 175.737 176.094 0.077 0.000 1.035 244 V CA -0.812 61.504 62.300 0.027 0.000 0.873 244 V CB 1.651 33.476 31.823 0.003 0.000 0.992 244 V HN 0.718 nan 8.190 nan 0.000 0.428 245 Q N 4.405 124.246 119.800 0.068 0.000 2.342 245 Q HA 0.826 5.174 4.340 0.014 0.000 0.267 245 Q C -0.795 175.250 176.000 0.075 0.000 1.038 245 Q CA -0.866 54.976 55.803 0.065 0.000 0.832 245 Q CB 2.686 31.407 28.738 -0.029 0.000 1.323 245 Q HN 0.819 nan 8.270 nan 0.000 0.448 246 M N -0.774 118.820 119.600 -0.010 0.000 2.644 246 M HA 0.748 5.236 4.480 0.014 0.000 0.304 246 M C -1.404 174.803 176.300 -0.156 0.000 1.215 246 M CA -0.437 54.782 55.300 -0.134 0.000 0.871 246 M CB 1.706 34.056 32.600 -0.416 0.000 1.740 246 M HN 0.533 nan 8.290 nan 0.000 0.464 247 C N 1.084 120.296 119.300 -0.146 0.000 2.614 247 C HA 1.038 5.506 4.460 0.014 0.000 0.320 247 C C 0.661 175.565 174.990 -0.143 0.000 1.200 247 C CA 0.557 59.502 59.018 -0.122 0.000 1.700 247 C CB 0.948 28.641 27.740 -0.077 0.000 2.275 247 C HN 1.413 nan 8.230 nan 0.000 0.492 248 G N 1.552 110.279 108.800 -0.122 0.000 2.409 248 G HA2 -0.015 3.954 3.960 0.014 0.000 0.421 248 G HA3 -0.015 3.954 3.960 0.014 0.000 0.421 248 G C -0.925 173.898 174.900 -0.128 0.000 1.259 248 G CA -0.498 44.534 45.100 -0.113 0.000 1.011 248 G HN 0.936 nan 8.290 nan 0.000 0.497 249 E N 0.139 120.272 120.200 -0.112 0.000 2.166 249 E HA 0.402 4.761 4.350 0.014 0.000 0.279 249 E C 0.658 177.155 176.600 -0.171 0.000 1.095 249 E CA -0.454 55.877 56.400 -0.115 0.000 0.888 249 E CB 0.125 29.780 29.700 -0.075 0.000 1.041 249 E HN 0.459 nan 8.360 nan 0.000 0.414 250 L N 5.094 126.201 121.223 -0.192 0.000 2.490 250 L HA 0.129 4.478 4.340 0.014 0.000 0.274 250 L C 0.534 177.261 176.870 -0.238 0.000 1.201 250 L CA 0.346 55.042 54.840 -0.240 0.000 0.869 250 L CB 0.212 42.154 42.059 -0.195 0.000 1.123 250 L HN 0.474 nan 8.230 nan 0.000 0.484 251 R N 1.808 122.112 120.500 -0.326 0.000 2.725 251 R HA 0.219 4.567 4.340 0.014 0.000 0.277 251 R C -0.077 175.985 176.300 -0.395 0.000 0.987 251 R CA -0.785 55.022 56.100 -0.487 0.000 0.901 251 R CB 1.494 31.144 30.300 -1.084 0.000 1.207 251 R HN 0.524 nan 8.270 nan 0.000 0.463 252 D N 1.033 121.261 120.400 -0.288 0.000 2.269 252 D HA -0.123 4.525 4.640 0.014 0.000 0.208 252 D C 1.422 177.693 176.300 -0.047 0.000 0.963 252 D CA 1.447 55.382 54.000 -0.108 0.000 0.864 252 D CB 0.179 40.963 40.800 -0.027 0.000 0.936 252 D HN 0.573 nan 8.370 nan 0.000 0.505 253 Y N 0.195 120.512 120.300 0.029 0.000 2.546 253 Y HA 0.274 4.832 4.550 0.014 0.000 0.287 253 Y C 0.815 176.731 175.900 0.027 0.000 1.158 253 Y CA -0.522 57.595 58.100 0.027 0.000 1.307 253 Y CB -0.862 37.613 38.460 0.026 0.000 1.036 253 Y HN -0.214 nan 8.280 nan 0.000 0.532 254 L N 3.049 124.257 121.223 -0.025 0.000 2.416 254 L HA 0.314 4.663 4.340 0.014 0.000 0.272 254 L C 0.200 177.082 176.870 0.021 0.000 1.161 254 L CA -0.035 54.848 54.840 0.071 0.000 0.845 254 L CB 0.456 42.565 42.059 0.082 0.000 1.119 254 L HN 0.163 nan 8.230 nan 0.000 0.464 255 R N 2.279 122.676 120.500 -0.171 0.000 2.836 255 R HA 0.702 5.050 4.340 0.014 0.000 0.269 255 R C -1.416 174.534 176.300 -0.583 0.000 1.010 255 R CA -0.871 54.982 56.100 -0.411 0.000 0.930 255 R CB 2.230 32.255 30.300 -0.458 0.000 1.218 255 R HN 0.263 nan 8.270 nan 0.000 0.473 256 V N 1.008 120.608 119.914 -0.523 0.000 2.540 256 V HA 0.447 4.575 4.120 0.014 0.000 0.302 256 V C -0.373 175.629 176.094 -0.154 0.000 1.035 256 V CA -0.543 61.538 62.300 -0.365 0.000 0.873 256 V CB 2.195 33.754 31.823 -0.439 0.000 0.992 256 V HN 0.713 nan 8.190 nan 0.000 0.428 257 T N 4.228 118.799 114.554 0.027 0.000 2.786 257 T HA 0.519 4.877 4.350 0.014 0.000 0.283 257 T C -0.489 174.220 174.700 0.016 0.000 0.992 257 T CA -0.339 61.809 62.100 0.079 0.000 0.954 257 T CB 1.513 70.493 68.868 0.186 0.000 0.934 257 T HN 0.322 nan 8.240 nan 0.000 0.440 258 V N 3.429 123.332 119.914 -0.019 0.000 2.328 258 V HA 0.551 4.680 4.120 0.014 0.000 0.278 258 V C 0.218 176.309 176.094 -0.005 0.000 1.021 258 V CA -0.535 61.750 62.300 -0.024 0.000 0.838 258 V CB 1.416 33.211 31.823 -0.047 0.000 0.999 258 V HN 0.884 nan 8.190 nan 0.000 0.447 259 S N 5.043 120.768 115.700 0.041 0.000 2.501 259 S HA 0.777 5.255 4.470 0.014 0.000 0.301 259 S C -0.990 173.636 174.600 0.042 0.000 1.096 259 S CA -0.539 57.666 58.200 0.008 0.000 1.063 259 S CB 1.387 64.648 63.200 0.103 0.000 1.042 259 S HN 0.563 nan 8.310 nan 0.000 0.494 260 L N 5.038 126.189 121.223 -0.122 0.000 2.313 260 L HA 0.742 5.090 4.340 0.014 0.000 0.283 260 L C -1.838 174.960 176.870 -0.120 0.000 1.013 260 L CA -0.255 54.594 54.840 0.016 0.000 0.816 260 L CB 1.017 43.109 42.059 0.055 0.000 1.236 260 L HN 0.806 nan 8.230 nan 0.000 0.419 261 W N 4.051 125.455 121.300 0.172 0.000 2.656 261 W HA 0.540 5.208 4.660 0.014 0.000 0.327 261 W C -0.403 176.210 176.519 0.157 0.000 1.041 261 W CA -0.425 56.996 57.345 0.127 0.000 1.229 261 W CB 1.451 30.939 29.460 0.046 0.000 1.397 261 W HN 0.404 nan 8.180 nan 0.000 0.479 262 Q N 3.210 123.174 119.800 0.272 0.000 2.560 262 Q HA 0.455 4.803 4.340 0.014 0.000 0.238 262 Q C 0.821 176.866 176.000 0.075 0.000 1.079 262 Q CA 0.560 56.383 55.803 0.033 0.000 0.866 262 Q CB 0.374 29.088 28.738 -0.041 0.000 1.153 262 Q HN 0.803 nan 8.270 nan 0.000 0.530 263 G N 2.991 111.836 108.800 0.075 0.000 2.561 263 G HA2 -0.370 3.598 3.960 0.014 0.000 0.289 263 G HA3 -0.370 3.598 3.960 0.014 0.000 0.289 263 G C 0.275 175.272 174.900 0.162 0.000 1.169 263 G CA 0.408 45.551 45.100 0.071 0.000 0.980 263 G HN 0.686 nan 8.290 nan 0.000 0.550 264 E N 0.977 121.264 120.200 0.146 0.000 2.437 264 E HA 0.256 4.614 4.350 0.014 0.000 0.189 264 E C 0.046 176.858 176.600 0.353 0.000 1.054 264 E CA 0.422 56.948 56.400 0.209 0.000 0.874 264 E CB 0.322 30.077 29.700 0.092 0.000 1.011 264 E HN 0.301 nan 8.360 nan 0.000 0.474 265 T N 1.281 116.014 114.554 0.297 0.000 2.758 265 T HA 0.129 4.488 4.350 0.014 0.000 0.285 265 T C -0.353 174.339 174.700 -0.013 0.000 0.981 265 T CA -0.491 61.692 62.100 0.139 0.000 0.965 265 T CB 1.620 70.522 68.868 0.056 0.000 0.927 265 T HN 0.036 nan 8.240 nan 0.000 0.448 266 Q N 2.952 122.500 119.800 -0.420 0.000 2.307 266 Q HA 0.289 4.638 4.340 0.014 0.000 0.259 266 Q C 1.020 176.783 176.000 -0.396 0.000 0.998 266 Q CA -0.434 54.839 55.803 -0.885 0.000 0.923 266 Q CB 0.707 28.697 28.738 -1.246 0.000 1.196 266 Q HN 0.704 nan 8.270 nan 0.000 0.416 267 V N 1.090 120.841 119.914 -0.272 0.000 3.125 267 V HA 0.575 4.703 4.120 0.014 0.000 0.249 267 V C 0.264 176.274 176.094 -0.140 0.000 1.113 267 V CA 0.727 62.952 62.300 -0.126 0.000 1.106 267 V CB 0.215 32.040 31.823 0.003 0.000 0.768 267 V HN 0.627 nan 8.190 nan 0.000 0.468 268 A N -0.755 121.957 122.820 -0.181 0.000 2.577 268 A HA 0.784 5.112 4.320 0.014 0.000 0.297 268 A C -0.710 176.779 177.584 -0.159 0.000 1.060 268 A CA 0.159 52.112 52.037 -0.140 0.000 0.697 268 A CB 1.698 20.645 19.000 -0.088 0.000 1.281 268 A HN 0.381 nan 8.150 nan 0.000 0.402 269 S N -0.308 115.316 115.700 -0.126 0.000 2.546 269 S HA 0.843 5.321 4.470 0.014 0.000 0.274 269 S C -0.422 174.139 174.600 -0.065 0.000 1.121 269 S CA 0.156 58.294 58.200 -0.103 0.000 0.887 269 S CB 1.809 64.936 63.200 -0.122 0.000 1.094 269 S HN 2.084 nan 8.310 nan 0.000 0.474 270 G N 1.841 110.613 108.800 -0.047 0.000 2.719 270 G HA2 0.601 4.569 3.960 0.014 0.000 0.298 270 G HA3 0.601 4.569 3.960 0.014 0.000 0.298 270 G C -1.284 173.599 174.900 -0.029 0.000 1.433 270 G CA -0.397 44.678 45.100 -0.041 0.000 1.034 270 G HN 0.631 nan 8.290 nan 0.000 0.517 271 T N 0.259 114.798 114.554 -0.024 0.000 2.841 271 T HA 0.841 5.199 4.350 0.014 0.000 0.283 271 T C -0.223 174.444 174.700 -0.055 0.000 1.000 271 T CA -0.217 61.876 62.100 -0.012 0.000 0.977 271 T CB 1.853 70.748 68.868 0.046 0.000 0.979 271 T HN 1.404 nan 8.240 nan 0.000 0.446 272 A N 3.785 126.537 122.820 -0.112 0.000 2.604 272 A HA 0.882 5.211 4.320 0.014 0.000 0.295 272 A C -3.035 174.419 177.584 -0.217 0.000 1.067 272 A CA -1.624 50.330 52.037 -0.139 0.000 0.683 272 A CB 1.294 20.209 19.000 -0.142 0.000 1.281 272 A HN 0.537 nan 8.150 nan 0.000 0.407 273 P HA 0.474 nan 4.420 nan 0.000 0.275 273 P C -0.563 176.614 177.300 -0.205 0.000 1.266 273 P CA -0.165 62.848 63.100 -0.145 0.000 0.793 273 P CB 0.341 32.017 31.700 -0.039 0.000 1.074 274 F N -0.568 119.343 119.950 -0.065 0.000 2.410 274 F HA 0.485 5.020 4.527 0.014 0.000 0.334 274 F C 1.421 177.204 175.800 -0.029 0.000 1.134 274 F CA 1.386 59.356 58.000 -0.050 0.000 1.227 274 F CB 0.181 39.143 39.000 -0.062 0.000 1.194 274 F HN 0.606 nan 8.300 nan 0.000 0.571 275 G N 1.560 110.491 108.800 0.218 0.000 2.949 275 G HA2 0.314 4.283 3.960 0.014 0.000 0.658 275 G HA3 0.314 4.283 3.960 0.014 0.000 0.658 275 G C -0.287 174.666 174.900 0.088 0.000 1.194 275 G CA -0.738 44.440 45.100 0.131 0.000 1.204 275 G HN 1.066 nan 8.290 nan 0.000 0.524 276 G N 0.707 109.577 108.800 0.116 0.000 2.588 276 G HA2 0.701 4.669 3.960 0.014 0.000 0.278 276 G HA3 0.701 4.669 3.960 0.014 0.000 0.278 276 G C 0.507 175.449 174.900 0.070 0.000 1.307 276 G CA 0.033 45.188 45.100 0.091 0.000 1.016 276 G HN 1.230 nan 8.290 nan 0.000 0.503 277 E N -1.137 119.099 120.200 0.059 0.000 2.408 277 E HA 0.192 4.550 4.350 0.014 0.000 0.259 277 E C -0.186 176.439 176.600 0.042 0.000 1.110 277 E CA -0.503 55.921 56.400 0.040 0.000 0.929 277 E CB 0.852 30.570 29.700 0.030 0.000 0.971 277 E HN 0.288 nan 8.360 nan 0.000 0.438 278 I N 2.164 122.746 120.570 0.020 0.000 2.668 278 I HA -0.132 4.046 4.170 0.014 0.000 0.285 278 I C 0.775 176.898 176.117 0.010 0.000 1.168 278 I CA 0.050 61.353 61.300 0.006 0.000 1.424 278 I CB 0.309 38.307 38.000 -0.003 0.000 1.377 278 I HN 0.642 nan 8.210 nan 0.000 0.560 279 I N 4.290 124.858 120.570 -0.005 0.000 2.947 279 I HA 0.050 4.228 4.170 0.014 0.000 0.263 279 I C 0.649 176.759 176.117 -0.012 0.000 1.130 279 I CA 1.089 62.392 61.300 0.004 0.000 1.448 279 I CB -0.649 37.357 38.000 0.010 0.000 1.222 279 I HN 0.685 nan 8.210 nan 0.000 0.453 280 D N -1.490 118.890 120.400 -0.034 0.000 2.958 280 D HA 0.155 4.803 4.640 0.014 0.000 0.306 280 D C 0.392 176.673 176.300 -0.032 0.000 1.226 280 D CA -0.398 53.584 54.000 -0.030 0.000 1.032 280 D CB 0.307 41.086 40.800 -0.035 0.000 1.400 280 D HN -0.244 nan 8.370 nan 0.000 0.587 281 E N -1.225 118.958 120.200 -0.028 0.000 2.472 281 E HA 0.030 4.389 4.350 0.014 0.000 0.200 281 E C 0.951 177.531 176.600 -0.033 0.000 1.046 281 E CA 0.608 56.993 56.400 -0.026 0.000 0.871 281 E CB 0.026 29.714 29.700 -0.020 0.000 0.806 281 E HN 0.161 nan 8.360 nan 0.000 0.533 282 R N -0.183 120.289 120.500 -0.047 0.000 2.468 282 R HA 0.310 4.658 4.340 0.014 0.000 0.280 282 R C 0.652 176.911 176.300 -0.069 0.000 0.963 282 R CA 0.578 56.645 56.100 -0.057 0.000 1.083 282 R CB 0.581 30.841 30.300 -0.066 0.000 1.200 282 R HN 0.195 nan 8.270 nan 0.000 0.541 283 G N -0.412 108.351 108.800 -0.062 0.000 2.451 283 G HA2 -0.175 3.794 3.960 0.014 0.000 0.208 283 G HA3 -0.175 3.794 3.960 0.014 0.000 0.208 283 G C -0.104 174.747 174.900 -0.081 0.000 1.248 283 G CA -0.611 44.453 45.100 -0.059 0.000 0.989 283 G HN 0.458 nan 8.290 nan 0.000 0.559 284 G N -2.081 106.676 108.800 -0.073 0.000 3.175 284 G HA2 0.644 4.612 3.960 0.014 0.000 0.255 284 G HA3 0.644 4.612 3.960 0.014 0.000 0.255 284 G C -1.359 173.470 174.900 -0.118 0.000 1.352 284 G CA -0.731 44.328 45.100 -0.069 0.000 1.037 284 G HN 0.763 nan 8.290 nan 0.000 0.556 285 Y N 0.948 121.261 120.300 0.023 0.000 2.504 285 Y HA 0.406 4.964 4.550 0.013 0.000 0.351 285 Y C 1.473 177.396 175.900 0.039 0.000 0.988 285 Y CA 0.206 58.323 58.100 0.028 0.000 1.239 285 Y CB 1.583 40.067 38.460 0.040 0.000 1.128 285 Y HN 0.519 nan 8.280 nan 0.000 0.525 286 A N 1.911 124.811 122.820 0.133 0.000 2.066 286 A HA -0.150 4.178 4.320 0.014 0.000 0.218 286 A C 1.435 179.081 177.584 0.103 0.000 1.157 286 A CA 1.445 53.538 52.037 0.094 0.000 0.670 286 A CB -0.302 18.713 19.000 0.025 0.000 0.804 286 A HN 0.793 nan 8.150 nan 0.000 0.453 287 D N -1.038 119.422 120.400 0.100 0.000 2.358 287 D HA 0.143 4.791 4.640 0.014 0.000 0.224 287 D C 0.534 176.912 176.300 0.130 0.000 1.123 287 D CA -0.014 53.967 54.000 -0.032 0.000 0.833 287 D CB -0.039 40.733 40.800 -0.047 0.000 0.946 287 D HN 0.372 nan 8.370 nan 0.000 0.505 288 R N -0.907 119.787 120.500 0.324 0.000 2.836 288 R HA 0.745 5.093 4.340 0.014 0.000 0.269 288 R C -1.707 174.738 176.300 0.241 0.000 1.010 288 R CA -1.163 55.112 56.100 0.293 0.000 0.930 288 R CB 3.039 33.386 30.300 0.079 0.000 1.218 288 R HN -0.018 nan 8.270 nan 0.000 0.473 289 V N 0.380 120.329 119.914 0.060 0.000 3.000 289 V HA 0.469 4.598 4.120 0.014 0.000 0.300 289 V C -1.537 174.516 176.094 -0.069 0.000 1.251 289 V CA -0.285 61.971 62.300 -0.074 0.000 0.972 289 V CB 2.702 34.342 31.823 -0.306 0.000 1.065 289 V HN 0.803 nan 8.190 nan 0.000 0.431 290 T N 7.497 122.020 114.554 -0.053 0.000 2.779 290 T HA 0.610 4.968 4.350 0.014 0.000 0.280 290 T C -0.921 173.746 174.700 -0.055 0.000 0.987 290 T CA -0.420 61.656 62.100 -0.040 0.000 0.966 290 T CB 1.071 69.929 68.868 -0.016 0.000 0.933 290 T HN 0.444 nan 8.240 nan 0.000 0.442 291 L N 3.756 124.946 121.223 -0.055 0.000 2.307 291 L HA 0.541 4.890 4.340 0.014 0.000 0.284 291 L C 0.404 177.248 176.870 -0.043 0.000 1.023 291 L CA -0.391 54.415 54.840 -0.056 0.000 0.810 291 L CB 1.330 43.351 42.059 -0.064 0.000 1.231 291 L HN 0.551 nan 8.230 nan 0.000 0.423 292 R N 4.487 124.961 120.500 -0.043 0.000 2.337 292 R HA 0.652 5.000 4.340 0.014 0.000 0.319 292 R C -1.004 175.271 176.300 -0.042 0.000 0.954 292 R CA -0.536 55.539 56.100 -0.042 0.000 0.840 292 R CB 1.614 31.890 30.300 -0.040 0.000 1.164 292 R HN 0.473 nan 8.270 nan 0.000 0.472 293 L N 2.708 123.907 121.223 -0.039 0.000 2.313 293 L HA 0.435 4.784 4.340 0.014 0.000 0.283 293 L C -0.092 176.755 176.870 -0.038 0.000 1.013 293 L CA -1.102 53.715 54.840 -0.038 0.000 0.816 293 L CB 1.370 43.410 42.059 -0.032 0.000 1.236 293 L HN 0.441 nan 8.230 nan 0.000 0.419 294 N N 2.292 120.964 118.700 -0.048 0.000 2.488 294 N HA 0.304 5.053 4.740 0.014 0.000 0.274 294 N C -0.792 174.676 175.510 -0.070 0.000 1.111 294 N CA -0.088 52.929 53.050 -0.055 0.000 0.974 294 N CB 2.381 40.837 38.487 -0.051 0.000 1.089 294 N HN 0.239 nan 8.380 nan 0.000 0.465 295 V N 2.877 122.734 119.914 -0.095 0.000 2.443 295 V HA 0.155 4.283 4.120 0.014 0.000 0.293 295 V C -0.185 175.821 176.094 -0.147 0.000 1.021 295 V CA -0.855 61.348 62.300 -0.162 0.000 0.848 295 V CB 1.759 33.386 31.823 -0.325 0.000 0.998 295 V HN 0.467 nan 8.190 nan 0.000 0.424 296 E N 4.173 124.311 120.200 -0.104 0.000 2.313 296 E HA 0.267 4.625 4.350 0.014 0.000 0.276 296 E C 0.222 176.787 176.600 -0.059 0.000 1.031 296 E CA -0.308 56.055 56.400 -0.061 0.000 0.857 296 E CB 0.477 30.154 29.700 -0.038 0.000 1.040 296 E HN 0.680 nan 8.360 nan 0.000 0.408 297 N N 1.759 120.447 118.700 -0.019 0.000 2.669 297 N HA -0.125 4.623 4.740 0.014 0.000 0.266 297 N C -2.220 173.282 175.510 -0.013 0.000 1.024 297 N CA 0.292 53.348 53.050 0.010 0.000 0.766 297 N CB -1.138 37.361 38.487 0.019 0.000 0.898 297 N HN 0.343 nan 8.380 nan 0.000 0.548 298 P HA 0.051 nan 4.420 nan 0.000 0.271 298 P C 0.242 177.570 177.300 0.046 0.000 1.216 298 P CA 0.263 63.236 63.100 -0.210 0.000 0.771 298 P CB 0.870 32.193 31.700 -0.628 0.000 0.864 299 K N 3.001 123.533 120.400 0.219 0.000 2.412 299 K HA 0.178 4.506 4.320 0.014 0.000 0.284 299 K C 0.298 177.088 176.600 0.317 0.000 1.046 299 K CA -0.096 56.331 56.287 0.233 0.000 0.999 299 K CB 0.090 32.699 32.500 0.182 0.000 0.941 299 K HN 0.464 nan 8.250 nan 0.000 0.474 300 L N 2.799 124.121 121.223 0.166 0.000 2.399 300 L HA 0.325 4.673 4.340 0.014 0.000 0.266 300 L C 0.004 176.953 176.870 0.132 0.000 1.114 300 L CA -0.896 54.029 54.840 0.141 0.000 0.804 300 L CB 0.505 42.497 42.059 -0.112 0.000 1.146 300 L HN 0.590 nan 8.230 nan 0.000 0.451 301 W N 2.710 124.019 121.300 0.014 0.000 2.417 301 W HA 0.514 5.181 4.660 0.012 0.000 0.317 301 W C -0.042 176.404 176.519 -0.121 0.000 1.121 301 W CA 0.109 57.454 57.345 -0.001 0.000 1.208 301 W CB 1.420 30.936 29.460 0.094 0.000 1.253 301 W HN 0.624 nan 8.180 nan 0.000 0.533 302 S N 2.923 118.068 115.700 -0.925 0.000 2.636 302 S HA 0.620 5.098 4.470 0.014 0.000 0.268 302 S C 0.157 173.995 174.600 -1.269 0.000 1.159 302 S CA -0.354 57.327 58.200 -0.864 0.000 0.815 302 S CB 0.984 63.905 63.200 -0.465 0.000 1.130 302 S HN 1.019 nan 8.310 nan 0.000 0.471 303 A N 0.821 123.038 122.820 -1.006 0.000 1.933 303 A HA -0.009 4.319 4.320 0.014 0.000 0.218 303 A C 1.806 179.062 177.584 -0.546 0.000 1.175 303 A CA 1.799 53.285 52.037 -0.919 0.000 0.628 303 A CB -1.194 17.133 19.000 -1.121 0.000 0.814 303 A HN 0.901 nan 8.150 nan 0.000 0.444 304 E N -0.647 119.359 120.200 -0.323 0.000 2.051 304 E HA -0.047 4.311 4.350 0.014 0.000 0.192 304 E C -0.152 176.295 176.600 -0.254 0.000 0.991 304 E CA 0.919 57.183 56.400 -0.227 0.000 0.799 304 E CB -0.128 29.551 29.700 -0.034 0.000 0.748 304 E HN 0.660 nan 8.360 nan 0.000 0.449 305 I N 1.549 121.949 120.570 -0.285 0.000 2.521 305 I HA 0.175 4.354 4.170 0.014 0.000 0.277 305 I C -2.489 173.403 176.117 -0.375 0.000 1.054 305 I CA -2.034 59.120 61.300 -0.244 0.000 1.117 305 I CB 2.011 39.924 38.000 -0.146 0.000 1.217 305 I HN -0.206 nan 8.210 nan 0.000 0.469 306 P HA 0.107 nan 4.420 nan 0.000 0.220 306 P C -0.645 176.652 177.300 -0.005 0.000 1.806 306 P CA -0.359 62.465 63.100 -0.460 0.000 0.976 306 P CB -0.229 31.329 31.700 -0.237 0.000 1.952 307 N N 1.887 120.609 118.700 0.036 0.000 2.411 307 N HA 0.054 4.802 4.740 0.014 0.000 0.265 307 N C 0.025 175.745 175.510 0.349 0.000 1.266 307 N CA 0.635 53.777 53.050 0.153 0.000 0.889 307 N CB 0.409 38.985 38.487 0.148 0.000 1.069 307 N HN 0.349 nan 8.380 nan 0.000 0.476 308 L N 2.943 124.290 121.223 0.206 0.000 2.365 308 L HA 0.437 4.786 4.340 0.014 0.000 0.273 308 L C -0.622 176.320 176.870 0.120 0.000 1.000 308 L CA -0.850 54.146 54.840 0.260 0.000 0.819 308 L CB 1.060 43.245 42.059 0.209 0.000 1.284 308 L HN 0.396 nan 8.230 nan 0.000 0.418 309 Y N 1.122 121.559 120.300 0.228 0.000 2.568 309 Y HA 0.604 5.163 4.550 0.014 0.000 0.327 309 Y C 0.003 176.011 175.900 0.180 0.000 1.163 309 Y CA -0.785 57.452 58.100 0.228 0.000 1.219 309 Y CB 1.452 40.107 38.460 0.324 0.000 1.308 309 Y HN 0.392 nan 8.280 nan 0.000 0.503 310 R N 1.148 121.867 120.500 0.364 0.000 2.393 310 R HA 0.771 5.119 4.340 0.014 0.000 0.315 310 R C -1.546 174.936 176.300 0.303 0.000 0.952 310 R CA -0.513 55.738 56.100 0.252 0.000 0.842 310 R CB 0.869 31.254 30.300 0.142 0.000 1.163 310 R HN 0.742 nan 8.270 nan 0.000 0.450 311 A N 3.829 126.769 122.820 0.200 0.000 2.292 311 A HA 0.619 4.947 4.320 0.014 0.000 0.319 311 A C -0.982 176.650 177.584 0.080 0.000 1.206 311 A CA -0.636 51.496 52.037 0.159 0.000 0.835 311 A CB 1.245 20.302 19.000 0.094 0.000 1.164 311 A HN 0.492 nan 8.150 nan 0.000 0.505 312 V N 3.533 123.501 119.914 0.091 0.000 2.409 312 V HA 0.333 4.462 4.120 0.014 0.000 0.291 312 V C -0.282 175.773 176.094 -0.065 0.000 1.020 312 V CA -0.526 61.764 62.300 -0.017 0.000 0.848 312 V CB 1.558 33.380 31.823 -0.003 0.000 0.990 312 V HN 0.621 nan 8.190 nan 0.000 0.430 313 V N 4.824 124.623 119.914 -0.193 0.000 2.348 313 V HA 0.383 4.511 4.120 0.014 0.000 0.270 313 V C 0.095 176.117 176.094 -0.119 0.000 1.037 313 V CA -0.495 61.669 62.300 -0.228 0.000 0.872 313 V CB 0.991 32.506 31.823 -0.513 0.000 1.002 313 V HN 0.908 nan 8.190 nan 0.000 0.464 314 E N 3.984 124.167 120.200 -0.028 0.000 2.129 314 E HA 0.402 4.760 4.350 0.014 0.000 0.268 314 E C -0.935 175.706 176.600 0.069 0.000 0.900 314 E CA -0.872 55.562 56.400 0.058 0.000 0.755 314 E CB 2.216 32.006 29.700 0.150 0.000 1.117 314 E HN 0.494 nan 8.360 nan 0.000 0.410 315 L N 5.310 126.559 121.223 0.042 0.000 2.268 315 L HA 0.280 4.628 4.340 0.014 0.000 0.289 315 L C -0.784 176.144 176.870 0.097 0.000 1.064 315 L CA 0.213 55.076 54.840 0.038 0.000 0.824 315 L CB -0.552 41.535 42.059 0.047 0.000 1.202 315 L HN 0.600 nan 8.230 nan 0.000 0.433 316 H N 0.744 119.850 119.070 0.060 0.000 2.960 316 H HA 0.875 5.439 4.556 0.014 0.000 0.303 316 H C -0.648 174.746 175.328 0.110 0.000 1.412 316 H CA -0.423 55.665 56.048 0.065 0.000 1.227 316 H CB 0.842 30.625 29.762 0.035 0.000 1.912 316 H HN 0.430 nan 8.280 nan 0.000 0.583 317 T N -2.537 112.208 114.554 0.319 0.000 2.945 317 T HA 0.581 4.940 4.350 0.014 0.000 0.286 317 T C 1.237 176.141 174.700 0.340 0.000 1.025 317 T CA -0.448 61.817 62.100 0.275 0.000 1.039 317 T CB 1.597 70.566 68.868 0.169 0.000 1.068 317 T HN 0.934 nan 8.240 nan 0.000 0.497 318 A N 1.311 124.267 122.820 0.227 0.000 2.019 318 A HA -0.078 4.251 4.320 0.014 0.000 0.219 318 A C 2.001 179.662 177.584 0.129 0.000 1.164 318 A CA 1.689 53.837 52.037 0.184 0.000 0.644 318 A CB -0.858 18.222 19.000 0.134 0.000 0.805 318 A HN 0.994 nan 8.150 nan 0.000 0.449 319 D N -1.780 118.674 120.400 0.089 0.000 2.347 319 D HA 0.172 4.820 4.640 0.014 0.000 0.213 319 D C 1.097 177.414 176.300 0.029 0.000 0.985 319 D CA 1.171 55.193 54.000 0.037 0.000 0.879 319 D CB -0.308 40.491 40.800 -0.002 0.000 0.919 319 D HN 0.842 nan 8.370 nan 0.000 0.526 320 G N -0.077 108.759 108.800 0.060 0.000 2.141 320 G HA2 -0.176 3.792 3.960 0.014 0.000 0.164 320 G HA3 -0.176 3.792 3.960 0.014 0.000 0.164 320 G C -0.041 174.865 174.900 0.009 0.000 1.009 320 G CA 0.008 45.108 45.100 -0.000 0.000 0.677 320 G HN 0.338 nan 8.290 nan 0.000 0.508 321 T N 1.538 116.126 114.554 0.057 0.000 2.733 321 T HA 0.508 4.867 4.350 0.014 0.000 0.294 321 T C 0.303 175.065 174.700 0.103 0.000 0.956 321 T CA -0.315 61.815 62.100 0.050 0.000 0.987 321 T CB 1.752 70.633 68.868 0.022 0.000 0.920 321 T HN 0.582 nan 8.240 nan 0.000 0.470 322 L N 5.069 126.338 121.223 0.077 0.000 2.410 322 L HA 0.332 4.681 4.340 0.014 0.000 0.273 322 L C 0.723 177.644 176.870 0.086 0.000 1.144 322 L CA 0.432 55.333 54.840 0.102 0.000 0.863 322 L CB 0.035 42.129 42.059 0.059 0.000 1.140 322 L HN 0.678 nan 8.230 nan 0.000 0.463 323 I N 2.924 123.551 120.570 0.095 0.000 2.512 323 I HA 0.124 4.302 4.170 0.014 0.000 0.247 323 I C 0.347 176.481 176.117 0.028 0.000 1.094 323 I CA 0.565 61.900 61.300 0.057 0.000 1.427 323 I CB 0.119 38.155 38.000 0.060 0.000 1.149 323 I HN 0.824 nan 8.210 nan 0.000 0.438 324 E N 0.098 120.315 120.200 0.027 0.000 2.416 324 E HA 0.725 5.083 4.350 0.014 0.000 0.280 324 E C -1.494 175.121 176.600 0.025 0.000 1.055 324 E CA -1.125 55.283 56.400 0.012 0.000 0.825 324 E CB 1.758 31.425 29.700 -0.055 0.000 1.312 324 E HN -0.019 nan 8.360 nan 0.000 0.452 325 A N 1.371 124.228 122.820 0.062 0.000 2.393 325 A HA 0.666 4.994 4.320 0.014 0.000 0.306 325 A C -0.960 176.711 177.584 0.146 0.000 1.050 325 A CA -0.769 51.307 52.037 0.066 0.000 0.724 325 A CB 1.557 20.594 19.000 0.062 0.000 1.248 325 A HN 0.512 nan 8.150 nan 0.000 0.424 326 E N -0.085 120.132 120.200 0.028 0.000 2.316 326 E HA 0.856 5.214 4.350 0.014 0.000 0.258 326 E C -0.404 176.219 176.600 0.037 0.000 0.952 326 E CA -0.519 55.959 56.400 0.130 0.000 0.818 326 E CB 2.297 31.985 29.700 -0.020 0.000 1.260 326 E HN 1.174 nan 8.360 nan 0.000 0.416 327 A N -0.143 122.814 122.820 0.227 0.000 2.608 327 A HA 0.659 4.987 4.320 0.014 0.000 0.292 327 A C -1.068 176.707 177.584 0.319 0.000 1.066 327 A CA -0.465 51.643 52.037 0.119 0.000 0.676 327 A CB 0.657 19.620 19.000 -0.062 0.000 1.277 327 A HN 0.827 nan 8.150 nan 0.000 0.413 328 C N -0.393 119.043 119.300 0.227 0.000 3.288 328 C HA 0.836 5.304 4.460 0.014 0.000 0.318 328 C C -1.302 173.775 174.990 0.144 0.000 1.356 328 C CA -0.915 58.238 59.018 0.225 0.000 1.359 328 C CB 1.191 29.090 27.740 0.265 0.000 1.688 328 C HN 0.815 nan 8.230 nan 0.000 0.467 329 D N 1.160 121.630 120.400 0.117 0.000 2.304 329 D HA 0.523 5.171 4.640 0.014 0.000 0.250 329 D C -0.311 176.036 176.300 0.077 0.000 1.107 329 D CA 0.177 54.246 54.000 0.115 0.000 0.885 329 D CB 1.754 42.629 40.800 0.125 0.000 1.192 329 D HN 0.547 nan 8.370 nan 0.000 0.436 330 V N 1.115 121.102 119.914 0.121 0.000 2.495 330 V HA 0.668 4.796 4.120 0.014 0.000 0.298 330 V C 0.589 176.758 176.094 0.125 0.000 1.031 330 V CA -0.851 61.474 62.300 0.043 0.000 0.871 330 V CB 2.020 33.839 31.823 -0.005 0.000 0.988 330 V HN 0.618 nan 8.190 nan 0.000 0.432 331 G N 3.035 111.810 108.800 -0.042 0.000 2.605 331 G HA2 0.565 4.534 3.960 0.014 0.000 0.304 331 G HA3 0.565 4.534 3.960 0.014 0.000 0.304 331 G C -0.798 174.182 174.900 0.133 0.000 1.333 331 G CA -0.425 44.732 45.100 0.095 0.000 0.973 331 G HN 0.480 nan 8.290 nan 0.000 0.507 332 F N 4.246 124.374 119.950 0.296 0.000 2.552 332 F HA 0.250 4.785 4.527 0.013 0.000 0.342 332 F C 1.325 177.368 175.800 0.405 0.000 1.257 332 F CA 0.073 58.306 58.000 0.388 0.000 1.058 332 F CB 0.248 39.471 39.000 0.371 0.000 1.288 332 F HN 0.402 nan 8.300 nan 0.000 0.627 333 R N 2.884 123.650 120.500 0.444 0.000 2.740 333 R HA 0.504 4.853 4.340 0.014 0.000 0.273 333 R C -1.550 174.913 176.300 0.271 0.000 0.998 333 R CA -0.774 55.468 56.100 0.237 0.000 0.900 333 R CB 1.724 32.206 30.300 0.303 0.000 1.223 333 R HN 0.490 nan 8.270 nan 0.000 0.466 334 E N 2.314 122.592 120.200 0.130 0.000 2.199 334 E HA 0.406 4.764 4.350 0.014 0.000 0.265 334 E C -1.275 175.410 176.600 0.142 0.000 0.882 334 E CA -0.861 55.684 56.400 0.241 0.000 0.759 334 E CB 2.111 32.043 29.700 0.388 0.000 1.148 334 E HN 0.418 nan 8.360 nan 0.000 0.412 335 V N 5.534 125.521 119.914 0.122 0.000 2.384 335 V HA 0.565 4.693 4.120 0.014 0.000 0.287 335 V C -0.131 176.012 176.094 0.081 0.000 1.020 335 V CA -0.658 61.685 62.300 0.072 0.000 0.850 335 V CB 1.049 32.891 31.823 0.032 0.000 0.987 335 V HN 0.710 nan 8.190 nan 0.000 0.436 336 R N 3.945 124.490 120.500 0.075 0.000 2.707 336 R HA 0.754 5.103 4.340 0.014 0.000 0.272 336 R C -1.861 174.471 176.300 0.053 0.000 1.011 336 R CA -0.949 55.194 56.100 0.072 0.000 0.893 336 R CB 1.920 32.276 30.300 0.093 0.000 1.233 336 R HN 0.490 nan 8.270 nan 0.000 0.464 337 I N 1.567 122.167 120.570 0.050 0.000 2.312 337 I HA 0.289 4.468 4.170 0.014 0.000 0.290 337 I C -0.289 175.854 176.117 0.042 0.000 1.008 337 I CA -0.167 61.157 61.300 0.039 0.000 1.226 337 I CB 1.508 39.532 38.000 0.040 0.000 1.371 337 I HN 0.614 nan 8.210 nan 0.000 0.468 338 E N 6.149 126.371 120.200 0.037 0.000 2.246 338 E HA 0.232 4.590 4.350 0.014 0.000 0.266 338 E C -0.269 176.348 176.600 0.027 0.000 0.880 338 E CA -0.542 55.880 56.400 0.037 0.000 0.762 338 E CB 1.021 30.749 29.700 0.047 0.000 1.180 338 E HN 0.566 nan 8.360 nan 0.000 0.416 339 N N 3.002 121.717 118.700 0.026 0.000 2.741 339 N HA -0.237 4.511 4.740 0.014 0.000 0.250 339 N C 0.432 175.951 175.510 0.015 0.000 1.115 339 N CA 1.937 54.999 53.050 0.020 0.000 0.724 339 N CB -1.151 37.347 38.487 0.018 0.000 1.090 339 N HN 0.928 nan 8.380 nan 0.000 0.558 340 G N -2.382 106.427 108.800 0.015 0.000 2.175 340 G HA2 -0.269 3.699 3.960 0.014 0.000 0.244 340 G HA3 -0.269 3.699 3.960 0.014 0.000 0.244 340 G C -0.088 174.811 174.900 -0.002 0.000 0.982 340 G CA 0.347 45.452 45.100 0.009 0.000 0.641 340 G HN 0.414 nan 8.290 nan 0.000 0.527 341 L N 0.389 121.611 121.223 -0.001 0.000 2.325 341 L HA 0.724 5.072 4.340 0.014 0.000 0.278 341 L C 0.280 177.143 176.870 -0.012 0.000 1.023 341 L CA -1.284 53.548 54.840 -0.015 0.000 0.811 341 L CB 1.779 43.830 42.059 -0.014 0.000 1.249 341 L HN 0.118 nan 8.230 nan 0.000 0.431 342 L N 4.221 125.425 121.223 -0.032 0.000 2.315 342 L HA 0.388 4.736 4.340 0.014 0.000 0.283 342 L C -0.766 176.085 176.870 -0.031 0.000 1.089 342 L CA 0.423 55.245 54.840 -0.030 0.000 0.833 342 L CB 0.260 42.286 42.059 -0.054 0.000 1.170 342 L HN 0.384 nan 8.230 nan 0.000 0.442 343 L N 6.038 127.260 121.223 -0.002 0.000 2.329 343 L HA 0.520 4.868 4.340 0.014 0.000 0.279 343 L C -0.803 176.079 176.870 0.020 0.000 1.014 343 L CA -0.804 54.045 54.840 0.015 0.000 0.814 343 L CB 1.867 43.955 42.059 0.050 0.000 1.257 343 L HN 0.536 nan 8.230 nan 0.000 0.424 344 L N 4.246 125.489 121.223 0.034 0.000 2.343 344 L HA 0.474 4.822 4.340 0.014 0.000 0.278 344 L C -0.220 176.676 176.870 0.044 0.000 0.996 344 L CA -0.017 54.851 54.840 0.047 0.000 0.831 344 L CB 0.807 42.890 42.059 0.039 0.000 1.232 344 L HN 0.589 nan 8.230 nan 0.000 0.413 345 N N 4.164 122.769 118.700 -0.158 0.000 2.727 345 N HA -0.216 4.532 4.740 0.014 0.000 0.249 345 N C 0.912 176.093 175.510 -0.549 0.000 1.048 345 N CA 1.314 53.944 53.050 -0.700 0.000 0.714 345 N CB -1.344 36.655 38.487 -0.814 0.000 0.959 345 N HN 1.185 nan 8.380 nan 0.000 0.544 346 G N -2.029 106.731 108.800 -0.065 0.000 2.179 346 G HA2 -0.341 3.627 3.960 0.014 0.000 0.260 346 G HA3 -0.341 3.627 3.960 0.014 0.000 0.260 346 G C -0.143 174.786 174.900 0.047 0.000 0.977 346 G CA 0.782 45.941 45.100 0.099 0.000 0.641 346 G HN 0.381 nan 8.290 nan 0.000 0.533 347 K N 0.806 121.225 120.400 0.032 0.000 2.345 347 K HA 0.479 4.807 4.320 0.014 0.000 0.255 347 K C -2.696 173.879 176.600 -0.041 0.000 0.934 347 K CA -2.337 53.928 56.287 -0.037 0.000 0.801 347 K CB 2.541 34.932 32.500 -0.182 0.000 1.137 347 K HN 0.040 nan 8.250 nan 0.000 0.424 348 P HA 0.062 nan 4.420 nan 0.000 0.264 348 P C -0.001 177.246 177.300 -0.088 0.000 1.229 348 P CA -0.006 63.055 63.100 -0.066 0.000 0.780 348 P CB 0.341 32.003 31.700 -0.063 0.000 0.808 349 L N 3.763 124.933 121.223 -0.088 0.000 2.467 349 L HA 0.153 4.502 4.340 0.014 0.000 0.270 349 L C 0.846 177.648 176.870 -0.113 0.000 1.205 349 L CA -0.393 54.388 54.840 -0.097 0.000 0.828 349 L CB 0.253 42.211 42.059 -0.168 0.000 1.101 349 L HN 0.280 nan 8.230 nan 0.000 0.479 350 L N 4.639 125.815 121.223 -0.080 0.000 2.353 350 L HA 0.393 4.741 4.340 0.014 0.000 0.270 350 L C -0.392 176.431 176.870 -0.078 0.000 1.003 350 L CA -0.287 54.482 54.840 -0.119 0.000 0.862 350 L CB 0.796 42.810 42.059 -0.075 0.000 1.221 350 L HN 0.257 nan 8.230 nan 0.000 0.430 351 I N 5.128 125.574 120.570 -0.207 0.000 2.406 351 I HA 0.145 4.323 4.170 0.014 0.000 0.293 351 I C 0.627 176.680 176.117 -0.107 0.000 1.101 351 I CA 0.281 61.466 61.300 -0.191 0.000 1.334 351 I CB 0.060 37.825 38.000 -0.391 0.000 1.421 351 I HN 0.529 nan 8.210 nan 0.000 0.513 352 R N 4.843 125.404 120.500 0.102 0.000 2.825 352 R HA 0.451 4.799 4.340 0.014 0.000 0.261 352 R C 0.537 176.993 176.300 0.259 0.000 1.341 352 R CA -0.257 55.983 56.100 0.234 0.000 1.353 352 R CB 0.711 30.990 30.300 -0.034 0.000 1.191 352 R HN 0.747 nan 8.270 nan 0.000 0.590 353 G N 0.209 109.139 108.800 0.217 0.000 2.568 353 G HA2 0.592 4.560 3.960 0.014 0.000 0.313 353 G HA3 0.592 4.560 3.960 0.014 0.000 0.313 353 G C -1.381 173.854 174.900 0.559 0.000 1.227 353 G CA -0.479 44.736 45.100 0.191 0.000 0.979 353 G HN 0.244 nan 8.290 nan 0.000 0.486 354 V N 0.150 120.331 119.914 0.446 0.000 2.971 354 V HA 0.492 4.620 4.120 0.014 0.000 0.309 354 V C -1.057 175.173 176.094 0.227 0.000 1.130 354 V CA -1.252 61.187 62.300 0.232 0.000 0.964 354 V CB 2.256 33.887 31.823 -0.319 0.000 1.029 354 V HN 0.746 nan 8.190 nan 0.000 0.427 355 N N 4.122 122.886 118.700 0.107 0.000 2.514 355 N HA 0.385 5.134 4.740 0.014 0.000 0.277 355 N C -0.692 174.647 175.510 -0.285 0.000 1.126 355 N CA -0.193 52.789 53.050 -0.112 0.000 0.978 355 N CB 1.361 39.780 38.487 -0.114 0.000 1.106 355 N HN 0.581 nan 8.380 nan 0.000 0.461 356 R N 1.980 122.269 120.500 -0.351 0.000 2.483 356 R HA 0.220 4.569 4.340 0.014 0.000 0.303 356 R C -0.901 175.139 176.300 -0.433 0.000 0.987 356 R CA -0.542 55.355 56.100 -0.338 0.000 0.881 356 R CB 0.807 30.878 30.300 -0.382 0.000 1.177 356 R HN 0.590 nan 8.270 nan 0.000 0.451 357 H N 2.245 121.144 119.070 -0.285 0.000 2.505 357 H HA 0.118 4.682 4.556 0.014 0.000 0.351 357 H C -0.436 174.881 175.328 -0.017 0.000 1.151 357 H CA -0.031 55.941 56.048 -0.126 0.000 1.339 357 H CB 1.536 31.280 29.762 -0.031 0.000 1.483 357 H HN 0.545 nan 8.280 nan 0.000 0.558 358 E N 2.388 122.757 120.200 0.282 0.000 1.865 358 E HA 0.062 4.420 4.350 0.014 0.000 0.269 358 E C -0.585 176.164 176.600 0.247 0.000 1.177 358 E CA 0.030 56.544 56.400 0.189 0.000 0.932 358 E CB 0.105 29.938 29.700 0.221 0.000 1.066 358 E HN 0.384 nan 8.360 nan 0.000 0.405 359 H N 1.490 120.623 119.070 0.105 0.000 2.717 359 H HA 0.314 4.878 4.556 0.014 0.000 0.366 359 H C -1.500 173.894 175.328 0.110 0.000 1.132 359 H CA -0.672 55.433 56.048 0.096 0.000 1.180 359 H CB 1.278 31.085 29.762 0.074 0.000 1.678 359 H HN 0.364 nan 8.280 nan 0.000 0.537 360 H N 5.459 124.110 119.070 -0.699 0.000 2.856 360 H HA 0.187 4.751 4.556 0.014 0.000 0.355 360 H C -2.307 172.616 175.328 -0.676 0.000 1.079 360 H CA -2.223 53.542 56.048 -0.473 0.000 1.240 360 H CB 2.784 32.434 29.762 -0.187 0.000 1.701 360 H HN 0.541 nan 8.280 nan 0.000 0.527 361 P HA -0.104 nan 4.420 nan 0.000 0.219 361 P C 1.256 178.430 177.300 -0.210 0.000 1.146 361 P CA 0.866 63.795 63.100 -0.284 0.000 0.808 361 P CB 0.974 32.529 31.700 -0.242 0.000 0.779 362 L N -1.928 119.264 121.223 -0.053 0.000 2.433 362 L HA 0.108 4.457 4.340 0.014 0.000 0.200 362 L C 2.414 179.159 176.870 -0.209 0.000 1.059 362 L CA 0.538 55.279 54.840 -0.164 0.000 0.835 362 L CB -0.428 41.460 42.059 -0.285 0.000 1.076 362 L HN -0.041 nan 8.230 nan 0.000 0.481 363 H N -0.261 118.803 119.070 -0.008 0.000 2.539 363 H HA 0.257 4.821 4.556 0.014 0.000 0.269 363 H C 1.417 176.636 175.328 -0.182 0.000 0.980 363 H CA 0.654 56.594 56.048 -0.180 0.000 1.152 363 H CB 0.204 29.760 29.762 -0.343 0.000 1.407 363 H HN 0.424 nan 8.280 nan 0.000 0.564 364 G N 1.517 110.233 108.800 -0.139 0.000 2.687 364 G HA2 -0.373 3.596 3.960 0.014 0.000 0.303 364 G HA3 -0.373 3.596 3.960 0.014 0.000 0.303 364 G C 0.827 175.636 174.900 -0.151 0.000 1.209 364 G CA 0.482 45.443 45.100 -0.231 0.000 0.968 364 G HN 0.460 nan 8.290 nan 0.000 0.549 365 Q N -0.027 119.719 119.800 -0.090 0.000 2.219 365 Q HA 0.466 4.815 4.340 0.014 0.000 0.209 365 Q C 0.247 176.342 176.000 0.158 0.000 0.854 365 Q CA -0.098 55.702 55.803 -0.005 0.000 0.960 365 Q CB 1.559 30.189 28.738 -0.180 0.000 1.116 365 Q HN 0.380 nan 8.270 nan 0.000 0.500 366 V N 2.186 122.161 119.914 0.100 0.000 2.488 366 V HA 0.155 4.283 4.120 0.014 0.000 0.277 366 V C 0.196 176.296 176.094 0.011 0.000 1.046 366 V CA 0.192 62.539 62.300 0.078 0.000 0.986 366 V CB 0.871 32.678 31.823 -0.026 0.000 0.989 366 V HN 0.313 nan 8.190 nan 0.000 0.475 367 M N 5.598 125.185 119.600 -0.022 0.000 2.300 367 M HA 0.454 4.943 4.480 0.014 0.000 0.348 367 M C -0.320 175.854 176.300 -0.210 0.000 1.151 367 M CA -0.387 54.850 55.300 -0.104 0.000 1.046 367 M CB 1.689 34.200 32.600 -0.148 0.000 1.647 367 M HN 0.839 nan 8.290 nan 0.000 0.451 368 D N 0.785 121.108 120.400 -0.129 0.000 2.433 368 D HA 0.220 4.868 4.640 0.014 0.000 0.236 368 D C 0.182 176.455 176.300 -0.046 0.000 1.026 368 D CA -0.432 53.502 54.000 -0.110 0.000 0.884 368 D CB 2.009 42.767 40.800 -0.070 0.000 1.384 368 D HN 0.712 nan 8.370 nan 0.000 0.477 369 E N 0.386 120.574 120.200 -0.020 0.000 2.070 369 E HA -0.312 4.046 4.350 0.014 0.000 0.197 369 E C 1.835 178.483 176.600 0.080 0.000 1.004 369 E CA 1.555 57.983 56.400 0.047 0.000 0.805 369 E CB 0.117 29.859 29.700 0.069 0.000 0.744 369 E HN 0.552 nan 8.360 nan 0.000 0.451 370 Q N -0.321 119.524 119.800 0.074 0.000 2.061 370 Q HA -0.184 4.164 4.340 0.014 0.000 0.204 370 Q C 2.097 178.163 176.000 0.110 0.000 0.984 370 Q CA 2.311 58.169 55.803 0.091 0.000 0.846 370 Q CB -0.153 28.637 28.738 0.088 0.000 0.902 370 Q HN 0.324 nan 8.270 nan 0.000 0.421 371 T N 1.070 115.697 114.554 0.122 0.000 2.708 371 T HA -0.143 4.215 4.350 0.014 0.000 0.266 371 T C 1.908 176.705 174.700 0.161 0.000 1.037 371 T CA 1.643 63.836 62.100 0.155 0.000 1.146 371 T CB -0.193 68.793 68.868 0.196 0.000 0.865 371 T HN 0.307 nan 8.240 nan 0.000 0.435 372 M N 0.545 120.243 119.600 0.164 0.000 2.149 372 M HA -0.105 4.383 4.480 0.014 0.000 0.261 372 M C 2.414 178.850 176.300 0.226 0.000 1.064 372 M CA 1.279 56.755 55.300 0.293 0.000 1.102 372 M CB -0.535 32.271 32.600 0.342 0.000 1.369 372 M HN 0.110 nan 8.290 nan 0.000 0.408 373 V N -0.030 119.951 119.914 0.111 0.000 2.307 373 V HA -0.280 3.848 4.120 0.014 0.000 0.245 373 V C 2.295 178.379 176.094 -0.017 0.000 1.045 373 V CA 1.938 64.233 62.300 -0.009 0.000 1.024 373 V CB -0.854 31.001 31.823 0.053 0.000 0.651 373 V HN 0.547 nan 8.190 nan 0.000 0.449 374 Q N -0.286 119.558 119.800 0.073 0.000 2.096 374 Q HA -0.280 4.068 4.340 0.014 0.000 0.204 374 Q C 1.951 178.038 176.000 0.145 0.000 0.982 374 Q CA 2.123 57.989 55.803 0.104 0.000 0.850 374 Q CB -0.119 28.697 28.738 0.131 0.000 0.901 374 Q HN 0.623 nan 8.270 nan 0.000 0.422 375 D N 0.169 120.675 120.400 0.178 0.000 2.097 375 D HA -0.116 4.532 4.640 0.014 0.000 0.197 375 D C 1.934 178.219 176.300 -0.026 0.000 0.984 375 D CA 1.051 55.172 54.000 0.201 0.000 0.826 375 D CB -0.156 40.760 40.800 0.193 0.000 0.973 375 D HN 0.343 nan 8.370 nan 0.000 0.460 376 I N 0.738 121.263 120.570 -0.075 0.000 2.226 376 I HA -0.221 3.957 4.170 0.014 0.000 0.245 376 I C 2.457 178.451 176.117 -0.205 0.000 1.100 376 I CA 0.560 61.711 61.300 -0.249 0.000 1.374 376 I CB -0.115 37.611 38.000 -0.456 0.000 1.057 376 I HN -0.015 nan 8.210 nan 0.000 0.413 377 L N 0.123 121.255 121.223 -0.151 0.000 1.989 377 L HA -0.252 4.096 4.340 0.014 0.000 0.211 377 L C 2.598 179.542 176.870 0.123 0.000 1.071 377 L CA 1.613 56.452 54.840 -0.002 0.000 0.749 377 L CB -0.679 41.393 42.059 0.021 0.000 0.890 377 L HN 0.277 nan 8.230 nan 0.000 0.431 378 L N -1.061 120.262 121.223 0.166 0.000 2.046 378 L HA -0.257 4.092 4.340 0.014 0.000 0.208 378 L C 2.691 179.749 176.870 0.314 0.000 1.077 378 L CA 1.364 56.384 54.840 0.300 0.000 0.747 378 L CB -0.305 42.024 42.059 0.449 0.000 0.896 378 L HN 0.279 nan 8.230 nan 0.000 0.432 379 M N -0.713 118.919 119.600 0.053 0.000 2.067 379 M HA -0.247 4.241 4.480 0.014 0.000 0.260 379 M C 2.303 178.703 176.300 0.165 0.000 1.069 379 M CA 1.902 57.150 55.300 -0.086 0.000 1.117 379 M CB -0.273 32.030 32.600 -0.494 0.000 1.334 379 M HN 0.050 nan 8.290 nan 0.000 0.407 380 K N -0.267 120.147 120.400 0.023 0.000 2.097 380 K HA -0.155 4.173 4.320 0.014 0.000 0.205 380 K C 1.979 178.628 176.600 0.081 0.000 1.050 380 K CA 1.196 57.420 56.287 -0.106 0.000 0.938 380 K CB -0.155 32.113 32.500 -0.386 0.000 0.718 380 K HN 0.417 nan 8.250 nan 0.000 0.442 381 Q N 0.386 120.367 119.800 0.302 0.000 2.291 381 Q HA -0.052 4.296 4.340 0.014 0.000 0.206 381 Q C 0.568 176.864 176.000 0.493 0.000 0.976 381 Q CA 0.806 56.870 55.803 0.435 0.000 0.875 381 Q CB 0.172 29.130 28.738 0.365 0.000 0.927 381 Q HN 0.245 nan 8.270 nan 0.000 0.450 382 N N 0.692 119.641 118.700 0.415 0.000 2.380 382 N HA 0.069 4.817 4.740 0.014 0.000 0.255 382 N C -0.756 174.877 175.510 0.204 0.000 1.158 382 N CA 0.017 53.297 53.050 0.384 0.000 0.878 382 N CB 0.740 39.519 38.487 0.487 0.000 1.138 382 N HN 0.158 nan 8.380 nan 0.000 0.509 383 N N 0.227 119.056 118.700 0.215 0.000 2.741 383 N HA -0.196 4.552 4.740 0.014 0.000 0.250 383 N C -0.820 174.639 175.510 -0.085 0.000 1.115 383 N CA 0.830 53.968 53.050 0.147 0.000 0.724 383 N CB -1.731 36.757 38.487 0.001 0.000 1.090 383 N HN 0.278 nan 8.380 nan 0.000 0.558 384 F N 1.190 121.179 119.950 0.065 0.000 2.384 384 F HA 0.277 4.811 4.527 0.013 0.000 0.338 384 F C 1.775 177.576 175.800 0.002 0.000 1.103 384 F CA -0.576 57.442 58.000 0.029 0.000 1.157 384 F CB 0.773 39.765 39.000 -0.013 0.000 1.167 384 F HN 0.046 nan 8.300 nan 0.000 0.529 385 N N 0.841 119.662 118.700 0.201 0.000 2.160 385 N HA 0.432 5.180 4.740 0.014 0.000 0.226 385 N C -0.913 174.624 175.510 0.046 0.000 1.256 385 N CA -0.035 53.041 53.050 0.043 0.000 0.890 385 N CB 0.779 39.321 38.487 0.091 0.000 1.116 385 N HN 0.475 nan 8.380 nan 0.000 0.517 386 A N -0.474 122.462 122.820 0.193 0.000 2.589 386 A HA 0.710 5.038 4.320 0.014 0.000 0.296 386 A C -1.821 175.995 177.584 0.387 0.000 1.062 386 A CA -0.691 51.532 52.037 0.311 0.000 0.686 386 A CB 1.800 20.997 19.000 0.329 0.000 1.282 386 A HN 0.156 nan 8.150 nan 0.000 0.404 387 V N 1.776 121.965 119.914 0.459 0.000 2.841 387 V HA 0.758 4.886 4.120 0.014 0.000 0.310 387 V C -0.470 175.748 176.094 0.206 0.000 1.090 387 V CA -0.750 61.760 62.300 0.350 0.000 0.930 387 V CB 1.894 33.853 31.823 0.226 0.000 1.014 387 V HN 1.033 nan 8.190 nan 0.000 0.425 388 R N 4.437 124.895 120.500 -0.069 0.000 2.346 388 R HA 0.448 4.796 4.340 0.014 0.000 0.311 388 R C -0.565 175.576 176.300 -0.264 0.000 0.983 388 R CA -0.520 55.362 56.100 -0.363 0.000 0.880 388 R CB 1.057 30.960 30.300 -0.662 0.000 1.100 388 R HN 0.825 nan 8.270 nan 0.000 0.453 389 C N 4.077 123.245 119.300 -0.220 0.000 3.424 389 C HA 0.098 4.566 4.460 0.014 0.000 0.577 389 C C 0.502 175.206 174.990 -0.476 0.000 1.086 389 C CA -0.466 58.371 59.018 -0.301 0.000 1.153 389 C CB -2.167 25.511 27.740 -0.104 0.000 1.411 389 C HN 0.685 nan 8.230 nan 0.000 0.636 390 S N 1.065 116.373 115.700 -0.654 0.000 2.465 390 S HA 0.152 4.630 4.470 0.014 0.000 0.280 390 S C -0.082 173.581 174.600 -1.562 0.000 1.232 390 S CA 0.152 57.730 58.200 -1.035 0.000 1.066 390 S CB 0.105 62.682 63.200 -1.039 0.000 0.929 390 S HN 0.711 nan 8.310 nan 0.000 0.494 391 H N 3.604 122.045 119.070 -1.048 0.000 2.439 391 H HA 0.320 4.884 4.556 0.013 0.000 0.230 391 H C -1.171 174.078 175.328 -0.133 0.000 1.420 391 H CA -0.368 55.474 56.048 -0.343 0.000 1.305 391 H CB -0.163 29.604 29.762 0.009 0.000 1.667 391 H HN 0.889 nan 8.280 nan 0.000 0.515 392 Y N -2.823 117.555 120.300 0.130 0.000 2.638 392 Y HA 0.389 4.948 4.550 0.014 0.000 0.334 392 Y C -3.302 172.688 175.900 0.150 0.000 1.182 392 Y CA -3.133 55.057 58.100 0.151 0.000 1.102 392 Y CB 0.118 38.675 38.460 0.161 0.000 1.343 392 Y HN -0.078 nan 8.280 nan 0.000 0.463 393 P HA 0.103 nan 4.420 nan 0.000 0.266 393 P C -0.711 176.849 177.300 0.432 0.000 1.195 393 P CA 0.340 63.667 63.100 0.380 0.000 0.768 393 P CB 0.602 32.470 31.700 0.279 0.000 0.838 394 N N 0.487 119.469 118.700 0.470 0.000 2.458 394 N HA 0.108 4.857 4.740 0.014 0.000 0.271 394 N C -0.093 175.647 175.510 0.382 0.000 1.210 394 N CA -0.419 52.815 53.050 0.306 0.000 0.978 394 N CB 0.085 38.529 38.487 -0.071 0.000 1.206 394 N HN 0.468 nan 8.380 nan 0.000 0.536 395 H N 2.196 121.367 119.070 0.169 0.000 3.167 395 H HA -0.044 4.520 4.556 0.014 0.000 0.306 395 H C -1.454 174.035 175.328 0.268 0.000 0.965 395 H CA -0.543 55.592 56.048 0.145 0.000 1.408 395 H CB 0.742 30.554 29.762 0.083 0.000 1.406 395 H HN 0.417 nan 8.280 nan 0.000 0.576 396 P HA -0.244 nan 4.420 nan 0.000 0.218 396 P C 1.770 179.306 177.300 0.393 0.000 1.152 396 P CA 0.878 64.113 63.100 0.224 0.000 0.857 396 P CB 0.178 31.870 31.700 -0.014 0.000 0.787 397 L N -1.419 120.095 121.223 0.485 0.000 2.275 397 L HA -0.020 4.328 4.340 0.014 0.000 0.215 397 L C 2.313 179.376 176.870 0.322 0.000 1.119 397 L CA 1.247 56.334 54.840 0.412 0.000 0.790 397 L CB -1.359 40.954 42.059 0.424 0.000 0.919 397 L HN 0.044 nan 8.230 nan 0.000 0.443 398 W N -0.600 120.757 121.300 0.095 0.000 2.358 398 W HA -0.308 4.360 4.660 0.013 0.000 0.303 398 W C 1.937 178.321 176.519 -0.226 0.000 1.208 398 W CA 1.750 59.013 57.345 -0.137 0.000 1.274 398 W CB -0.266 29.006 29.460 -0.313 0.000 1.138 398 W HN 0.268 nan 8.180 nan 0.000 0.515 399 Y N 0.641 120.892 120.300 -0.082 0.000 2.220 399 Y HA -0.187 4.371 4.550 0.013 0.000 0.291 399 Y C 2.865 178.555 175.900 -0.350 0.000 1.129 399 Y CA 2.108 59.949 58.100 -0.431 0.000 1.161 399 Y CB -1.209 36.700 38.460 -0.919 0.000 0.997 399 Y HN -0.252 nan 8.280 nan 0.000 0.522 400 T N 0.767 115.349 114.554 0.046 0.000 2.684 400 T HA -0.186 4.172 4.350 0.014 0.000 0.267 400 T C 1.992 176.746 174.700 0.090 0.000 1.036 400 T CA 1.503 63.707 62.100 0.173 0.000 1.148 400 T CB -0.575 68.433 68.868 0.232 0.000 0.863 400 T HN 0.231 nan 8.240 nan 0.000 0.436 401 L N 0.166 121.405 121.223 0.026 0.000 2.093 401 L HA -0.078 4.271 4.340 0.014 0.000 0.208 401 L C 2.850 179.710 176.870 -0.016 0.000 1.085 401 L CA 0.763 55.633 54.840 0.050 0.000 0.755 401 L CB -0.549 41.523 42.059 0.022 0.000 0.904 401 L HN 0.389 nan 8.230 nan 0.000 0.435 402 C N -0.141 119.004 119.300 -0.259 0.000 2.440 402 C HA -0.141 4.328 4.460 0.014 0.000 0.278 402 C C 2.412 177.455 174.990 0.087 0.000 1.295 402 C CA 0.458 59.336 59.018 -0.233 0.000 1.738 402 C CB -0.722 26.762 27.740 -0.428 0.000 1.987 402 C HN 0.552 nan 8.230 nan 0.000 0.492 403 D N 0.522 120.994 120.400 0.120 0.000 2.104 403 D HA -0.122 4.526 4.640 0.014 0.000 0.194 403 D C 2.351 178.862 176.300 0.352 0.000 0.994 403 D CA 1.307 55.465 54.000 0.262 0.000 0.830 403 D CB -0.400 40.501 40.800 0.168 0.000 0.959 403 D HN 0.537 nan 8.370 nan 0.000 0.452 404 R N -0.978 119.620 120.500 0.163 0.000 2.100 404 R HA -0.012 4.337 4.340 0.014 0.000 0.220 404 R C 2.191 178.449 176.300 -0.070 0.000 1.091 404 R CA 0.605 56.727 56.100 0.037 0.000 0.986 404 R CB -0.149 30.107 30.300 -0.073 0.000 0.888 404 R HN 0.267 nan 8.270 nan 0.000 0.444 405 Y N -0.203 120.103 120.300 0.011 0.000 2.397 405 Y HA 0.194 4.752 4.550 0.013 0.000 0.292 405 Y C 1.031 176.846 175.900 -0.142 0.000 1.115 405 Y CA 0.921 58.996 58.100 -0.042 0.000 1.208 405 Y CB 0.567 38.980 38.460 -0.078 0.000 1.046 405 Y HN 0.227 nan 8.280 nan 0.000 0.552 406 G N 0.980 109.789 108.800 0.014 0.000 2.780 406 G HA2 -0.106 3.862 3.960 0.014 0.000 0.364 406 G HA3 -0.106 3.862 3.960 0.014 0.000 0.364 406 G C -1.224 173.502 174.900 -0.291 0.000 1.045 406 G CA -0.604 44.363 45.100 -0.221 0.000 1.202 406 G HN 0.150 nan 8.290 nan 0.000 0.534 407 L N 1.785 122.915 121.223 -0.154 0.000 2.505 407 L HA 0.398 4.746 4.340 0.014 0.000 0.266 407 L C -0.340 176.558 176.870 0.046 0.000 0.954 407 L CA -1.322 53.411 54.840 -0.178 0.000 0.852 407 L CB 1.726 43.688 42.059 -0.160 0.000 1.282 407 L HN 0.405 nan 8.230 nan 0.000 0.403 408 Y N 2.666 123.085 120.300 0.198 0.000 2.526 408 Y HA 0.227 4.787 4.550 0.016 0.000 0.330 408 Y C 0.370 176.404 175.900 0.222 0.000 1.156 408 Y CA -0.340 57.915 58.100 0.259 0.000 1.419 408 Y CB 0.487 39.079 38.460 0.220 0.000 1.250 408 Y HN 0.123 nan 8.280 nan 0.000 0.540 409 V N 4.491 124.604 119.914 0.332 0.000 2.495 409 V HA 0.375 4.503 4.120 0.014 0.000 0.298 409 V C -0.527 175.648 176.094 0.134 0.000 1.031 409 V CA -1.084 61.340 62.300 0.206 0.000 0.871 409 V CB 1.963 33.866 31.823 0.134 0.000 0.988 409 V HN 0.462 nan 8.190 nan 0.000 0.432 410 V N 3.539 123.497 119.914 0.074 0.000 2.333 410 V HA 0.316 4.445 4.120 0.014 0.000 0.274 410 V C -0.210 175.899 176.094 0.024 0.000 1.028 410 V CA -0.395 61.893 62.300 -0.019 0.000 0.851 410 V CB 1.380 33.083 31.823 -0.200 0.000 1.000 410 V HN 0.853 nan 8.190 nan 0.000 0.456 411 D N 4.236 124.679 120.400 0.072 0.000 2.280 411 D HA 0.291 4.939 4.640 0.014 0.000 0.243 411 D C -0.205 176.255 176.300 0.266 0.000 1.129 411 D CA -0.076 54.055 54.000 0.218 0.000 0.848 411 D CB 1.281 42.236 40.800 0.257 0.000 1.107 411 D HN 0.702 nan 8.370 nan 0.000 0.471 412 E N 1.999 122.329 120.200 0.217 0.000 2.199 412 E HA 0.614 4.972 4.350 0.014 0.000 0.265 412 E C -1.042 175.685 176.600 0.212 0.000 0.882 412 E CA -1.022 55.493 56.400 0.192 0.000 0.759 412 E CB 1.316 31.081 29.700 0.108 0.000 1.148 412 E HN 0.443 nan 8.360 nan 0.000 0.412 413 A N 3.926 126.868 122.820 0.204 0.000 2.445 413 A HA 0.102 4.430 4.320 0.014 0.000 0.242 413 A C 0.321 178.022 177.584 0.194 0.000 1.075 413 A CA -0.326 51.815 52.037 0.173 0.000 0.777 413 A CB 0.216 19.283 19.000 0.112 0.000 1.013 413 A HN 0.719 nan 8.150 nan 0.000 0.493 414 N N 1.055 119.878 118.700 0.206 0.000 2.971 414 N HA 0.239 4.987 4.740 0.014 0.000 0.294 414 N C -1.037 174.592 175.510 0.199 0.000 1.210 414 N CA 0.222 53.422 53.050 0.250 0.000 1.157 414 N CB -0.866 37.770 38.487 0.249 0.000 1.450 414 N HN 0.468 nan 8.380 nan 0.000 0.527 415 I N 1.422 122.102 120.570 0.184 0.000 2.517 415 I HA 0.246 4.425 4.170 0.014 0.000 0.280 415 I C -1.052 175.157 176.117 0.154 0.000 1.061 415 I CA -0.792 60.599 61.300 0.153 0.000 1.091 415 I CB 1.649 39.709 38.000 0.100 0.000 1.205 415 I HN -0.168 nan 8.210 nan 0.000 0.459 416 V N 4.043 124.050 119.914 0.156 0.000 2.524 416 V HA 0.334 4.462 4.120 0.014 0.000 0.297 416 V C 0.477 176.648 176.094 0.129 0.000 1.035 416 V CA -0.431 61.936 62.300 0.111 0.000 0.867 416 V CB 1.994 33.857 31.823 0.067 0.000 1.004 416 V HN 0.797 nan 8.190 nan 0.000 0.426 417 T N -1.116 113.515 114.554 0.128 0.000 3.308 417 T HA 0.196 4.554 4.350 0.014 0.000 0.270 417 T C 1.054 175.831 174.700 0.128 0.000 0.992 417 T CA -0.086 62.115 62.100 0.169 0.000 0.931 417 T CB -0.542 68.390 68.868 0.107 0.000 1.142 417 T HN 0.707 nan 8.240 nan 0.000 0.525 418 H N 1.215 120.218 119.070 -0.111 0.000 2.353 418 H HA -0.062 4.502 4.556 0.014 0.000 0.298 418 H C 2.156 177.365 175.328 -0.198 0.000 1.103 418 H CA 1.276 57.218 56.048 -0.176 0.000 1.293 418 H CB -0.167 29.451 29.762 -0.240 0.000 1.372 418 H HN 0.598 nan 8.280 nan 0.000 0.501 419 G N 0.366 108.968 108.800 -0.330 0.000 3.026 419 G HA2 0.038 4.006 3.960 0.014 0.000 0.208 419 G HA3 0.038 4.006 3.960 0.014 0.000 0.208 419 G C 0.433 175.379 174.900 0.076 0.000 1.169 419 G CA -0.299 44.632 45.100 -0.282 0.000 0.788 419 G HN 0.122 nan 8.290 nan 0.000 0.533 420 M N 0.497 120.183 119.600 0.144 0.000 2.226 420 M HA 0.303 4.791 4.480 0.014 0.000 0.324 420 M C -0.375 175.925 176.300 0.000 0.000 1.112 420 M CA -0.300 55.060 55.300 0.100 0.000 1.176 420 M CB 1.486 34.123 32.600 0.061 0.000 1.430 420 M HN -0.197 nan 8.290 nan 0.000 0.462 421 V N 4.080 123.984 119.914 -0.017 0.000 2.398 421 V HA 0.352 4.480 4.120 0.014 0.000 0.282 421 V C -2.044 174.029 176.094 -0.036 0.000 1.014 421 V CA -1.232 61.046 62.300 -0.037 0.000 0.838 421 V CB 1.475 33.272 31.823 -0.043 0.000 1.018 421 V HN 0.722 nan 8.190 nan 0.000 0.432 422 P HA 0.345 nan 4.420 nan 0.000 0.279 422 P C 1.052 178.343 177.300 -0.015 0.000 1.276 422 P CA -0.733 62.350 63.100 -0.028 0.000 0.801 422 P CB 1.144 32.832 31.700 -0.020 0.000 1.127 423 M N 0.599 120.198 119.600 -0.002 0.000 2.260 423 M HA -0.182 4.306 4.480 0.014 0.000 0.261 423 M C 1.105 177.438 176.300 0.054 0.000 1.066 423 M CA 1.788 57.107 55.300 0.032 0.000 1.082 423 M CB -0.430 32.202 32.600 0.054 0.000 1.388 423 M HN 0.375 nan 8.290 nan 0.000 0.419 424 N N -0.271 118.457 118.700 0.046 0.000 2.276 424 N HA -0.049 4.699 4.740 0.014 0.000 0.212 424 N C 1.096 176.592 175.510 -0.023 0.000 1.127 424 N CA 0.041 53.122 53.050 0.052 0.000 0.834 424 N CB -0.567 37.974 38.487 0.091 0.000 1.014 424 N HN 0.374 nan 8.380 nan 0.000 0.491 425 R N 0.549 121.014 120.500 -0.057 0.000 2.083 425 R HA 0.023 4.372 4.340 0.014 0.000 0.237 425 R C 1.655 177.847 176.300 -0.180 0.000 1.137 425 R CA 1.297 57.335 56.100 -0.103 0.000 0.951 425 R CB -0.071 30.163 30.300 -0.110 0.000 0.851 425 R HN 0.238 nan 8.270 nan 0.000 0.434 426 L N -0.248 120.802 121.223 -0.289 0.000 2.095 426 L HA -0.069 4.279 4.340 0.014 0.000 0.204 426 L C 2.551 179.270 176.870 -0.251 0.000 1.080 426 L CA 1.613 56.150 54.840 -0.506 0.000 0.759 426 L CB -0.687 40.860 42.059 -0.853 0.000 0.914 426 L HN 0.419 nan 8.230 nan 0.000 0.439 427 T N -4.473 109.978 114.554 -0.171 0.000 3.035 427 T HA -0.156 4.202 4.350 0.014 0.000 0.268 427 T C 1.318 175.932 174.700 -0.143 0.000 1.109 427 T CA 1.154 63.141 62.100 -0.188 0.000 1.119 427 T CB -0.195 68.540 68.868 -0.222 0.000 0.900 427 T HN 0.141 nan 8.240 nan 0.000 0.503 428 D N 1.065 121.416 120.400 -0.082 0.000 2.350 428 D HA 0.061 4.710 4.640 0.014 0.000 0.213 428 D C -0.016 176.264 176.300 -0.033 0.000 1.031 428 D CA -0.114 53.849 54.000 -0.061 0.000 0.861 428 D CB -0.151 40.621 40.800 -0.047 0.000 0.926 428 D HN 0.275 nan 8.370 nan 0.000 0.520 429 D N 0.083 120.475 120.400 -0.014 0.000 2.316 429 D HA 0.068 4.716 4.640 0.014 0.000 0.245 429 D C -1.548 174.801 176.300 0.081 0.000 1.171 429 D CA -2.006 52.025 54.000 0.051 0.000 0.856 429 D CB 1.859 42.728 40.800 0.115 0.000 1.090 429 D HN 0.050 nan 8.370 nan 0.000 0.476 430 P HA -0.112 nan 4.420 nan 0.000 0.221 430 P C 0.835 178.143 177.300 0.013 0.000 1.145 430 P CA 0.691 63.801 63.100 0.018 0.000 0.795 430 P CB 0.339 32.039 31.700 0.001 0.000 0.775 431 R N -2.066 118.453 120.500 0.031 0.000 2.323 431 R HA -0.003 4.345 4.340 0.014 0.000 0.198 431 R C 1.201 177.399 176.300 -0.171 0.000 0.988 431 R CA 0.701 56.761 56.100 -0.067 0.000 1.041 431 R CB -0.383 29.867 30.300 -0.083 0.000 0.926 431 R HN 0.329 nan 8.270 nan 0.000 0.476 432 W N -0.501 120.743 121.300 -0.092 0.000 3.008 432 W HA 0.150 4.818 4.660 0.013 0.000 0.355 432 W C 1.438 177.899 176.519 -0.096 0.000 1.095 432 W CA -0.543 56.746 57.345 -0.093 0.000 1.738 432 W CB 0.147 29.549 29.460 -0.095 0.000 1.091 432 W HN -0.027 nan 8.180 nan 0.000 0.574 433 L N 2.215 123.473 121.223 0.059 0.000 2.046 433 L HA -0.035 4.313 4.340 0.014 0.000 0.208 433 L C -0.673 176.163 176.870 -0.056 0.000 1.077 433 L CA 2.279 57.111 54.840 -0.014 0.000 0.747 433 L CB -1.672 40.368 42.059 -0.031 0.000 0.896 433 L HN -0.239 nan 8.230 nan 0.000 0.432 434 P HA -0.196 nan 4.420 nan 0.000 0.214 434 P C 1.573 178.818 177.300 -0.092 0.000 1.163 434 P CA 2.319 65.358 63.100 -0.102 0.000 0.889 434 P CB -0.230 31.398 31.700 -0.121 0.000 0.790 435 A N -1.508 121.267 122.820 -0.075 0.000 1.969 435 A HA -0.152 4.176 4.320 0.014 0.000 0.218 435 A C 2.226 179.822 177.584 0.019 0.000 1.169 435 A CA 1.633 53.655 52.037 -0.024 0.000 0.635 435 A CB -1.352 17.641 19.000 -0.012 0.000 0.810 435 A HN 0.107 nan 8.150 nan 0.000 0.445 436 M N 0.153 119.771 119.600 0.029 0.000 2.132 436 M HA -0.145 4.343 4.480 0.014 0.000 0.263 436 M C 2.611 178.859 176.300 -0.086 0.000 1.065 436 M CA 1.743 57.042 55.300 -0.002 0.000 1.122 436 M CB -0.361 32.227 32.600 -0.021 0.000 1.365 436 M HN 0.670 nan 8.290 nan 0.000 0.411 437 S N 0.362 115.978 115.700 -0.139 0.000 2.359 437 S HA -0.204 4.275 4.470 0.014 0.000 0.224 437 S C 1.639 176.063 174.600 -0.294 0.000 1.035 437 S CA 1.563 59.608 58.200 -0.258 0.000 1.018 437 S CB -0.710 62.319 63.200 -0.286 0.000 0.876 437 S HN 0.504 nan 8.310 nan 0.000 0.448 438 E N 1.067 121.146 120.200 -0.203 0.000 2.118 438 E HA -0.135 4.223 4.350 0.014 0.000 0.195 438 E C 2.463 178.977 176.600 -0.144 0.000 0.992 438 E CA 1.101 57.395 56.400 -0.178 0.000 0.804 438 E CB -0.157 29.477 29.700 -0.110 0.000 0.741 438 E HN 0.589 nan 8.360 nan 0.000 0.458 439 R N 0.014 120.459 120.500 -0.092 0.000 2.115 439 R HA -0.073 4.275 4.340 0.014 0.000 0.230 439 R C 2.312 178.575 176.300 -0.062 0.000 1.111 439 R CA 0.760 56.837 56.100 -0.038 0.000 0.976 439 R CB 0.014 30.328 30.300 0.025 0.000 0.870 439 R HN 0.030 nan 8.270 nan 0.000 0.445 440 V N 0.310 120.142 119.914 -0.136 0.000 2.331 440 V HA -0.183 3.945 4.120 0.014 0.000 0.242 440 V C 2.521 178.442 176.094 -0.289 0.000 1.034 440 V CA 2.157 64.356 62.300 -0.168 0.000 1.027 440 V CB -0.344 31.376 31.823 -0.171 0.000 0.667 440 V HN 0.515 nan 8.190 nan 0.000 0.457 441 T N -0.646 113.601 114.554 -0.512 0.000 2.746 441 T HA -0.238 4.121 4.350 0.014 0.000 0.267 441 T C 1.930 176.474 174.700 -0.261 0.000 1.039 441 T CA 1.396 63.089 62.100 -0.678 0.000 1.142 441 T CB -0.411 67.869 68.868 -0.979 0.000 0.866 441 T HN 0.394 nan 8.240 nan 0.000 0.444 442 R N 0.169 120.543 120.500 -0.211 0.000 2.189 442 R HA 0.253 4.601 4.340 0.014 0.000 0.218 442 R C 2.588 178.816 176.300 -0.119 0.000 1.074 442 R CA 1.071 57.085 56.100 -0.144 0.000 0.991 442 R CB -0.413 29.808 30.300 -0.132 0.000 0.883 442 R HN 0.485 nan 8.270 nan 0.000 0.457 443 M N 0.487 120.026 119.600 -0.102 0.000 2.077 443 M HA -0.137 4.352 4.480 0.014 0.000 0.261 443 M C 1.871 178.124 176.300 -0.078 0.000 1.070 443 M CA 1.657 56.931 55.300 -0.042 0.000 1.125 443 M CB 0.083 32.700 32.600 0.030 0.000 1.339 443 M HN -0.021 nan 8.290 nan 0.000 0.409 444 V N 1.114 120.866 119.914 -0.270 0.000 2.287 444 V HA -0.312 3.816 4.120 0.014 0.000 0.248 444 V C 2.268 178.273 176.094 -0.150 0.000 1.053 444 V CA 2.108 64.102 62.300 -0.510 0.000 1.027 444 V CB -0.986 30.456 31.823 -0.634 0.000 0.646 444 V HN 0.595 nan 8.190 nan 0.000 0.447 445 Q N -0.747 118.999 119.800 -0.090 0.000 2.181 445 Q HA -0.242 4.107 4.340 0.014 0.000 0.205 445 Q C 2.480 178.418 176.000 -0.104 0.000 0.980 445 Q CA 1.655 57.420 55.803 -0.063 0.000 0.862 445 Q CB -0.199 28.511 28.738 -0.047 0.000 0.905 445 Q HN 0.515 nan 8.270 nan 0.000 0.429 446 R N 0.069 120.498 120.500 -0.119 0.000 2.100 446 R HA -0.080 4.269 4.340 0.014 0.000 0.220 446 R C 0.381 176.624 176.300 -0.094 0.000 1.091 446 R CA 1.214 57.218 56.100 -0.160 0.000 0.986 446 R CB 0.488 30.684 30.300 -0.174 0.000 0.888 446 R HN 0.177 nan 8.270 nan 0.000 0.444 447 D N -0.684 119.734 120.400 0.030 0.000 2.469 447 D HA 0.007 4.655 4.640 0.014 0.000 0.213 447 D C 1.300 177.739 176.300 0.231 0.000 1.135 447 D CA 0.049 54.108 54.000 0.099 0.000 0.834 447 D CB 0.306 41.064 40.800 -0.071 0.000 1.009 447 D HN 0.319 nan 8.370 nan 0.000 0.507 448 R N 0.725 121.398 120.500 0.289 0.000 2.193 448 R HA 0.022 4.370 4.340 0.014 0.000 0.229 448 R C 0.891 177.230 176.300 0.065 0.000 1.110 448 R CA 0.869 57.157 56.100 0.315 0.000 0.988 448 R CB -0.288 30.146 30.300 0.223 0.000 0.871 448 R HN -0.081 nan 8.270 nan 0.000 0.458 449 N N 0.412 119.074 118.700 -0.063 0.000 2.467 449 N HA -0.024 4.724 4.740 0.014 0.000 0.184 449 N C -0.367 175.024 175.510 -0.198 0.000 1.106 449 N CA 0.379 53.346 53.050 -0.138 0.000 0.892 449 N CB 0.001 38.373 38.487 -0.193 0.000 0.969 449 N HN 0.308 nan 8.380 nan 0.000 0.454 450 H N 1.381 120.397 119.070 -0.090 0.000 2.819 450 H HA 0.083 4.647 4.556 0.013 0.000 0.303 450 H C -1.180 173.997 175.328 -0.251 0.000 1.058 450 H CA -1.191 54.780 56.048 -0.128 0.000 1.471 450 H CB 1.406 31.126 29.762 -0.071 0.000 1.480 450 H HN 0.086 nan 8.280 nan 0.000 0.517 451 P HA -0.137 nan 4.420 nan 0.000 0.223 451 P C 1.397 178.129 177.300 -0.945 0.000 1.151 451 P CA 0.936 63.636 63.100 -0.666 0.000 0.787 451 P CB 0.327 31.419 31.700 -1.013 0.000 0.788 452 S N -0.475 114.865 115.700 -0.600 0.000 2.383 452 S HA -0.046 4.432 4.470 0.014 0.000 0.227 452 S C 1.170 175.747 174.600 -0.038 0.000 1.026 452 S CA 0.423 58.479 58.200 -0.240 0.000 0.981 452 S CB -1.605 61.602 63.200 0.012 0.000 0.818 452 S HN -0.056 nan 8.310 nan 0.000 0.472 453 V N 4.167 124.025 119.914 -0.092 0.000 2.409 453 V HA 0.152 4.281 4.120 0.014 0.000 0.270 453 V C 1.201 177.154 176.094 -0.235 0.000 1.019 453 V CA 0.184 62.385 62.300 -0.165 0.000 1.066 453 V CB -0.198 31.424 31.823 -0.335 0.000 1.021 453 V HN 0.635 nan 8.190 nan 0.000 0.476 454 I N 2.476 122.973 120.570 -0.122 0.000 4.035 454 I HA 0.470 4.648 4.170 0.014 0.000 0.321 454 I C 0.474 176.494 176.117 -0.161 0.000 1.289 454 I CA 0.640 61.881 61.300 -0.098 0.000 1.236 454 I CB 0.443 38.458 38.000 0.025 0.000 1.076 454 I HN 0.315 nan 8.210 nan 0.000 0.418 455 I N 0.512 120.962 120.570 -0.200 0.000 2.571 455 I HA 0.323 4.502 4.170 0.014 0.000 0.289 455 I C -1.429 174.589 176.117 -0.166 0.000 1.115 455 I CA -0.413 60.810 61.300 -0.128 0.000 1.045 455 I CB 1.695 39.705 38.000 0.017 0.000 1.238 455 I HN 0.041 nan 8.210 nan 0.000 0.424 456 W N 4.554 125.903 121.300 0.083 0.000 2.316 456 W HA 0.534 5.201 4.660 0.011 0.000 0.321 456 W C 0.639 177.221 176.519 0.106 0.000 1.203 456 W CA -0.392 57.007 57.345 0.090 0.000 1.214 456 W CB 1.289 30.799 29.460 0.082 0.000 1.169 456 W HN 0.333 nan 8.180 nan 0.000 0.561 457 S N 3.114 119.037 115.700 0.371 0.000 2.502 457 S HA 0.387 4.865 4.470 0.014 0.000 0.304 457 S C 0.206 174.955 174.600 0.248 0.000 1.097 457 S CA -0.753 57.611 58.200 0.274 0.000 1.045 457 S CB 0.750 64.067 63.200 0.195 0.000 1.019 457 S HN 0.571 nan 8.310 nan 0.000 0.481 458 L N 4.351 125.698 121.223 0.207 0.000 2.650 458 L HA 0.326 4.674 4.340 0.014 0.000 0.235 458 L C 1.429 178.293 176.870 -0.009 0.000 1.149 458 L CA 0.527 55.400 54.840 0.055 0.000 0.887 458 L CB -1.216 40.795 42.059 -0.080 0.000 1.021 458 L HN 1.020 nan 8.230 nan 0.000 0.441 459 G N 0.178 109.063 108.800 0.140 0.000 2.297 459 G HA2 -0.160 3.809 3.960 0.014 0.000 0.209 459 G HA3 -0.160 3.809 3.960 0.014 0.000 0.209 459 G C -1.425 173.648 174.900 0.288 0.000 1.267 459 G CA -0.438 44.767 45.100 0.176 0.000 1.127 459 G HN 0.230 nan 8.290 nan 0.000 0.498 460 N N 0.031 118.867 118.700 0.227 0.000 2.431 460 N HA 0.466 5.214 4.740 0.014 0.000 0.275 460 N C -0.566 174.930 175.510 -0.023 0.000 1.091 460 N CA 0.207 53.284 53.050 0.045 0.000 0.922 460 N CB 1.549 39.801 38.487 -0.391 0.000 1.666 460 N HN 0.957 nan 8.380 nan 0.000 0.484 461 E N 0.796 120.932 120.200 -0.107 0.000 2.197 461 E HA -0.173 4.185 4.350 0.014 0.000 0.184 461 E C -0.872 175.755 176.600 0.044 0.000 1.439 461 E CA 0.832 57.136 56.400 -0.160 0.000 0.688 461 E CB -1.234 28.136 29.700 -0.549 0.000 1.090 461 E HN 0.446 nan 8.360 nan 0.000 0.341 462 S N 0.044 115.873 115.700 0.216 0.000 2.941 462 S HA 0.416 4.895 4.470 0.014 0.000 0.251 462 S C 0.687 175.488 174.600 0.334 0.000 1.029 462 S CA -0.184 58.181 58.200 0.276 0.000 1.062 462 S CB 1.330 64.734 63.200 0.339 0.000 0.977 462 S HN 0.845 nan 8.310 nan 0.000 0.552 463 G N 2.048 110.981 108.800 0.222 0.000 2.574 463 G HA2 -0.255 3.713 3.960 0.014 0.000 0.282 463 G HA3 -0.255 3.713 3.960 0.014 0.000 0.282 463 G C -0.516 174.582 174.900 0.330 0.000 1.257 463 G CA 0.281 45.500 45.100 0.198 0.000 0.956 463 G HN 0.729 nan 8.290 nan 0.000 0.560 464 H N 0.094 119.288 119.070 0.208 0.000 2.924 464 H HA 0.636 5.200 4.556 0.014 0.000 0.333 464 H C 0.247 175.752 175.328 0.294 0.000 0.979 464 H CA 0.797 57.014 56.048 0.282 0.000 1.326 464 H CB 0.860 30.704 29.762 0.137 0.000 1.600 464 H HN 1.196 nan 8.280 nan 0.000 0.520 465 G N 1.676 110.549 108.800 0.122 0.000 2.630 465 G HA2 0.520 4.488 3.960 0.014 0.000 0.296 465 G HA3 0.520 4.488 3.960 0.014 0.000 0.296 465 G C 0.579 175.358 174.900 -0.202 0.000 1.285 465 G CA -0.417 44.606 45.100 -0.127 0.000 0.958 465 G HN 0.799 nan 8.290 nan 0.000 0.479 466 A N 0.683 123.415 122.820 -0.146 0.000 1.903 466 A HA -0.188 4.140 4.320 0.014 0.000 0.219 466 A C 2.250 179.813 177.584 -0.035 0.000 1.191 466 A CA 2.331 54.325 52.037 -0.073 0.000 0.638 466 A CB -0.665 18.311 19.000 -0.041 0.000 0.823 466 A HN 0.582 nan 8.150 nan 0.000 0.451 467 N N -0.427 118.223 118.700 -0.082 0.000 2.137 467 N HA -0.197 4.552 4.740 0.014 0.000 0.190 467 N C 1.435 176.897 175.510 -0.081 0.000 1.017 467 N CA 1.942 54.930 53.050 -0.103 0.000 0.859 467 N CB -0.817 37.568 38.487 -0.170 0.000 1.002 467 N HN 0.815 nan 8.380 nan 0.000 0.428 468 H N 0.358 119.429 119.070 0.001 0.000 2.319 468 H HA -0.053 4.511 4.556 0.014 0.000 0.299 468 H C 1.401 176.820 175.328 0.152 0.000 1.092 468 H CA 1.407 57.480 56.048 0.041 0.000 1.302 468 H CB 0.103 29.939 29.762 0.124 0.000 1.373 468 H HN 0.220 nan 8.280 nan 0.000 0.497 469 D N 0.258 120.830 120.400 0.286 0.000 2.117 469 D HA -0.127 4.521 4.640 0.014 0.000 0.197 469 D C 2.335 178.793 176.300 0.264 0.000 0.987 469 D CA 1.172 55.335 54.000 0.272 0.000 0.829 469 D CB -0.385 40.534 40.800 0.198 0.000 0.961 469 D HN 0.425 nan 8.370 nan 0.000 0.460 470 A N 0.892 123.812 122.820 0.168 0.000 1.902 470 A HA -0.130 4.198 4.320 0.014 0.000 0.217 470 A C 2.419 180.106 177.584 0.172 0.000 1.181 470 A CA 0.999 53.121 52.037 0.142 0.000 0.623 470 A CB -0.764 18.279 19.000 0.072 0.000 0.818 470 A HN 0.199 nan 8.150 nan 0.000 0.443 471 L N -2.164 119.148 121.223 0.147 0.000 2.156 471 L HA -0.115 4.234 4.340 0.014 0.000 0.208 471 L C 2.526 179.534 176.870 0.230 0.000 1.095 471 L CA 1.278 56.202 54.840 0.140 0.000 0.770 471 L CB -0.616 41.463 42.059 0.033 0.000 0.914 471 L HN 0.614 nan 8.230 nan 0.000 0.439 472 Y N 1.419 121.805 120.300 0.144 0.000 2.081 472 Y HA -0.369 4.187 4.550 0.011 0.000 0.280 472 Y C 2.851 178.834 175.900 0.137 0.000 1.163 472 Y CA 2.008 60.197 58.100 0.147 0.000 1.135 472 Y CB -0.212 38.341 38.460 0.154 0.000 0.970 472 Y HN -0.026 nan 8.280 nan 0.000 0.498 473 R N -0.090 120.483 120.500 0.122 0.000 2.083 473 R HA -0.244 4.104 4.340 0.014 0.000 0.237 473 R C 2.122 178.402 176.300 -0.033 0.000 1.137 473 R CA 2.148 58.248 56.100 -0.001 0.000 0.951 473 R CB -1.633 28.758 30.300 0.152 0.000 0.851 473 R HN 0.665 nan 8.270 nan 0.000 0.434 474 W N 0.616 121.862 121.300 -0.090 0.000 2.305 474 W HA -0.214 4.455 4.660 0.014 0.000 0.308 474 W C 1.641 178.057 176.519 -0.172 0.000 1.226 474 W CA 2.324 59.603 57.345 -0.110 0.000 1.253 474 W CB -0.219 29.185 29.460 -0.094 0.000 1.146 474 W HN 0.156 nan 8.180 nan 0.000 0.507 475 I N 0.477 121.004 120.570 -0.071 0.000 2.286 475 I HA -0.288 3.890 4.170 0.014 0.000 0.245 475 I C 2.415 178.313 176.117 -0.364 0.000 1.104 475 I CA 1.135 62.239 61.300 -0.326 0.000 1.397 475 I CB -0.776 37.119 38.000 -0.175 0.000 1.072 475 I HN -0.178 nan 8.210 nan 0.000 0.417 476 K N 0.530 120.727 120.400 -0.339 0.000 2.152 476 K HA -0.153 4.176 4.320 0.014 0.000 0.206 476 K C 2.293 178.744 176.600 -0.248 0.000 1.048 476 K CA 1.390 57.501 56.287 -0.295 0.000 0.933 476 K CB -0.538 31.728 32.500 -0.390 0.000 0.721 476 K HN 0.254 nan 8.250 nan 0.000 0.447 477 S N 0.367 115.886 115.700 -0.301 0.000 2.345 477 S HA -0.060 4.419 4.470 0.014 0.000 0.219 477 S C 2.017 176.391 174.600 -0.377 0.000 1.031 477 S CA 0.914 58.939 58.200 -0.291 0.000 0.984 477 S CB -0.020 63.012 63.200 -0.281 0.000 0.874 477 S HN 0.031 nan 8.310 nan 0.000 0.451 478 V N 0.983 120.526 119.914 -0.619 0.000 2.591 478 V HA 0.080 4.208 4.120 0.014 0.000 0.249 478 V C 0.450 176.274 176.094 -0.449 0.000 1.053 478 V CA 1.519 63.414 62.300 -0.674 0.000 1.068 478 V CB -0.317 30.766 31.823 -1.234 0.000 0.689 478 V HN 0.541 nan 8.190 nan 0.000 0.462 479 D N -1.389 118.803 120.400 -0.347 0.000 2.364 479 D HA 0.277 4.926 4.640 0.014 0.000 0.251 479 D C -2.209 174.060 176.300 -0.052 0.000 1.282 479 D CA -1.490 52.420 54.000 -0.150 0.000 0.927 479 D CB 1.647 42.428 40.800 -0.032 0.000 1.267 479 D HN 0.064 nan 8.370 nan 0.000 0.531 480 P HA -0.053 nan 4.420 nan 0.000 0.233 480 P C 1.318 178.633 177.300 0.026 0.000 1.167 480 P CA 0.508 63.594 63.100 -0.024 0.000 0.770 480 P CB 0.204 31.884 31.700 -0.033 0.000 0.837 481 S N -0.976 114.750 115.700 0.043 0.000 2.423 481 S HA -0.055 4.423 4.470 0.014 0.000 0.231 481 S C 0.983 175.621 174.600 0.063 0.000 1.014 481 S CA 0.453 58.688 58.200 0.059 0.000 0.965 481 S CB -0.493 62.737 63.200 0.050 0.000 0.785 481 S HN 0.084 nan 8.310 nan 0.000 0.495 482 R N 1.536 122.093 120.500 0.094 0.000 2.534 482 R HA 0.537 4.886 4.340 0.014 0.000 0.301 482 R C -3.151 173.224 176.300 0.124 0.000 0.961 482 R CA -2.437 53.700 56.100 0.061 0.000 0.871 482 R CB 1.478 31.728 30.300 -0.083 0.000 1.170 482 R HN 0.180 nan 8.270 nan 0.000 0.446 483 P HA 0.018 nan 4.420 nan 0.000 0.269 483 P C -0.770 176.644 177.300 0.190 0.000 1.209 483 P CA -0.243 62.930 63.100 0.122 0.000 0.776 483 P CB 0.651 32.404 31.700 0.087 0.000 0.876 484 V N 3.322 123.377 119.914 0.235 0.000 2.417 484 V HA 0.369 4.498 4.120 0.014 0.000 0.291 484 V C 0.300 176.583 176.094 0.315 0.000 1.024 484 V CA -0.269 62.217 62.300 0.310 0.000 0.861 484 V CB 1.026 33.023 31.823 0.290 0.000 0.985 484 V HN 0.598 nan 8.190 nan 0.000 0.436 485 Q N 4.130 124.088 119.800 0.264 0.000 2.416 485 Q HA 0.824 5.172 4.340 0.014 0.000 0.279 485 Q C -1.734 174.429 176.000 0.272 0.000 1.101 485 Q CA -0.893 55.032 55.803 0.205 0.000 0.830 485 Q CB 2.939 31.747 28.738 0.118 0.000 1.402 485 Q HN 0.638 nan 8.270 nan 0.000 0.445 486 Y N -0.128 120.181 120.300 0.015 0.000 2.393 486 Y HA 0.145 4.702 4.550 0.013 0.000 0.320 486 Y C -0.664 175.178 175.900 -0.096 0.000 1.241 486 Y CA -0.782 57.298 58.100 -0.033 0.000 1.122 486 Y CB 1.920 40.356 38.460 -0.039 0.000 1.322 486 Y HN 0.938 nan 8.280 nan 0.000 0.441 487 E N 3.226 122.950 120.200 -0.794 0.000 2.250 487 E HA 0.146 4.504 4.350 0.014 0.000 0.192 487 E C 0.647 176.787 176.600 -0.766 0.000 0.986 487 E CA 0.805 56.839 56.400 -0.609 0.000 0.849 487 E CB 0.225 29.708 29.700 -0.361 0.000 0.797 487 E HN 0.887 nan 8.360 nan 0.000 0.482 488 G N -0.269 107.670 108.800 -1.435 0.000 2.484 488 G HA2 0.260 4.229 3.960 0.014 0.000 0.235 488 G HA3 0.260 4.229 3.960 0.014 0.000 0.235 488 G C 0.784 175.481 174.900 -0.338 0.000 1.282 488 G CA 0.286 44.945 45.100 -0.734 0.000 0.857 488 G HN 0.339 nan 8.290 nan 0.000 0.571 489 G N -0.433 108.307 108.800 -0.099 0.000 2.153 489 G HA2 0.235 4.203 3.960 0.014 0.000 0.252 489 G HA3 0.235 4.203 3.960 0.014 0.000 0.252 489 G C 1.201 176.095 174.900 -0.009 0.000 0.994 489 G CA 0.995 46.108 45.100 0.020 0.000 0.698 489 G HN 2.604 nan 8.290 nan 0.000 0.521 490 G N -1.557 107.227 108.800 -0.028 0.000 2.183 490 G HA2 0.453 4.421 3.960 0.014 0.000 0.168 490 G HA3 0.453 4.421 3.960 0.014 0.000 0.168 490 G C 1.113 176.109 174.900 0.159 0.000 1.008 490 G CA 1.171 46.313 45.100 0.072 0.000 0.677 490 G HN 2.315 nan 8.290 nan 0.000 0.498 491 A N -0.167 122.636 122.820 -0.028 0.000 3.132 491 A HA -0.099 4.229 4.320 0.014 0.000 0.266 491 A C 1.158 178.687 177.584 -0.091 0.000 1.216 491 A CA 2.675 54.650 52.037 -0.105 0.000 0.985 491 A CB -1.693 17.242 19.000 -0.107 0.000 1.102 491 A HN 2.103 nan 8.150 nan 0.000 0.833 492 D N -1.628 118.787 120.400 0.024 0.000 2.651 492 D HA 0.257 4.906 4.640 0.014 0.000 0.280 492 D C 0.423 176.709 176.300 -0.023 0.000 1.496 492 D CA 0.821 54.845 54.000 0.039 0.000 0.792 492 D CB -1.257 39.708 40.800 0.275 0.000 1.144 492 D HN 0.859 nan 8.370 nan 0.000 0.470 493 T N -1.807 112.658 114.554 -0.149 0.000 2.667 493 T HA 0.169 4.527 4.350 0.014 0.000 0.305 493 T C 1.514 176.069 174.700 -0.241 0.000 1.022 493 T CA 0.581 62.518 62.100 -0.272 0.000 0.995 493 T CB 0.742 69.142 68.868 -0.779 0.000 1.026 493 T HN 0.086 nan 8.240 nan 0.000 0.527 494 T N -2.206 112.225 114.554 -0.205 0.000 3.227 494 T HA 0.286 4.645 4.350 0.014 0.000 0.257 494 T C 1.464 175.924 174.700 -0.400 0.000 1.162 494 T CA 0.163 62.153 62.100 -0.183 0.000 1.051 494 T CB -0.472 68.372 68.868 -0.039 0.000 0.953 494 T HN 0.827 nan 8.240 nan 0.000 0.535 495 A N 0.532 123.137 122.820 -0.358 0.000 2.423 495 A HA 0.500 4.828 4.320 0.014 0.000 0.246 495 A C 0.864 178.300 177.584 -0.247 0.000 1.278 495 A CA -0.271 51.562 52.037 -0.339 0.000 0.903 495 A CB 0.141 19.200 19.000 0.099 0.000 0.997 495 A HN 0.427 nan 8.150 nan 0.000 0.510 496 T N -1.381 113.011 114.554 -0.270 0.000 2.971 496 T HA 0.348 4.707 4.350 0.014 0.000 0.304 496 T C -0.639 174.062 174.700 0.003 0.000 1.038 496 T CA -0.465 61.618 62.100 -0.029 0.000 1.007 496 T CB 1.198 70.049 68.868 -0.027 0.000 1.055 496 T HN 0.089 nan 8.240 nan 0.000 0.451 497 D N 2.988 123.475 120.400 0.145 0.000 2.347 497 D HA 0.218 4.866 4.640 0.014 0.000 0.213 497 D C 0.428 176.756 176.300 0.047 0.000 0.985 497 D CA 0.789 54.867 54.000 0.129 0.000 0.879 497 D CB 0.417 41.331 40.800 0.190 0.000 0.919 497 D HN 0.560 nan 8.370 nan 0.000 0.526 498 I N 0.977 121.557 120.570 0.016 0.000 2.545 498 I HA 0.248 4.426 4.170 0.014 0.000 0.292 498 I C -0.106 175.944 176.117 -0.111 0.000 1.040 498 I CA -0.909 60.367 61.300 -0.041 0.000 1.068 498 I CB 2.776 40.763 38.000 -0.021 0.000 1.251 498 I HN -0.340 nan 8.210 nan 0.000 0.424 499 I N 5.506 125.963 120.570 -0.188 0.000 2.505 499 I HA 0.055 4.233 4.170 0.014 0.000 0.287 499 I C 0.165 176.073 176.117 -0.348 0.000 1.104 499 I CA -0.013 61.077 61.300 -0.350 0.000 1.387 499 I CB 0.029 37.702 38.000 -0.544 0.000 1.404 499 I HN 0.695 nan 8.210 nan 0.000 0.528 500 C N 5.430 124.539 119.300 -0.319 0.000 3.401 500 C HA 0.449 4.917 4.460 0.014 0.000 0.204 500 C C -2.154 172.704 174.990 -0.220 0.000 1.522 500 C CA -2.198 56.690 59.018 -0.217 0.000 1.409 500 C CB -0.858 26.812 27.740 -0.117 0.000 1.967 500 C HN 0.443 nan 8.230 nan 0.000 0.496 501 P HA 0.283 nan 4.420 nan 0.000 0.272 501 P C -0.365 176.886 177.300 -0.081 0.000 1.230 501 P CA 0.335 63.348 63.100 -0.144 0.000 0.788 501 P CB 0.866 32.508 31.700 -0.097 0.000 0.949 502 M N 0.947 120.514 119.600 -0.056 0.000 2.101 502 M HA 0.403 4.891 4.480 0.014 0.000 0.340 502 M C -0.791 175.497 176.300 -0.021 0.000 1.057 502 M CA -0.565 54.596 55.300 -0.231 0.000 0.984 502 M CB 0.629 33.059 32.600 -0.284 0.000 1.560 502 M HN 0.270 nan 8.290 nan 0.000 0.435 503 Y N -0.136 120.334 120.300 0.283 0.000 4.729 503 Y HA -0.213 4.346 4.550 0.015 0.000 0.239 503 Y C 0.657 176.742 175.900 0.308 0.000 1.043 503 Y CA 0.502 58.782 58.100 0.301 0.000 2.045 503 Y CB -2.446 36.178 38.460 0.272 0.000 1.599 503 Y HN 0.985 nan 8.280 nan 0.000 0.655 504 A N 1.151 124.202 122.820 0.384 0.000 2.511 504 A HA 0.469 4.797 4.320 0.014 0.000 0.242 504 A C 0.832 178.648 177.584 0.387 0.000 1.069 504 A CA -0.163 52.101 52.037 0.377 0.000 0.763 504 A CB 0.286 19.540 19.000 0.422 0.000 1.001 504 A HN 0.413 nan 8.150 nan 0.000 0.498 505 R N 1.443 122.100 120.500 0.261 0.000 2.546 505 R HA 0.370 4.719 4.340 0.014 0.000 0.266 505 R C 1.124 177.406 176.300 -0.029 0.000 1.086 505 R CA -0.723 55.454 56.100 0.130 0.000 1.160 505 R CB 0.741 31.087 30.300 0.077 0.000 1.138 505 R HN 0.494 nan 8.270 nan 0.000 0.567 506 V N 0.708 120.448 119.914 -0.291 0.000 2.244 506 V HA -0.219 3.909 4.120 0.014 0.000 0.244 506 V C 0.999 176.993 176.094 -0.167 0.000 1.042 506 V CA 1.900 63.996 62.300 -0.341 0.000 1.006 506 V CB -0.250 31.265 31.823 -0.514 0.000 0.641 506 V HN 0.760 nan 8.190 nan 0.000 0.446 507 D N -1.487 118.843 120.400 -0.116 0.000 2.422 507 D HA 0.083 4.732 4.640 0.014 0.000 0.218 507 D C 1.001 177.291 176.300 -0.017 0.000 1.047 507 D CA 0.045 54.009 54.000 -0.059 0.000 0.885 507 D CB 0.535 41.305 40.800 -0.051 0.000 1.035 507 D HN 0.455 nan 8.370 nan 0.000 0.502 508 E N 2.011 122.205 120.200 -0.010 0.000 2.259 508 E HA 0.063 4.421 4.350 0.014 0.000 0.281 508 E C -0.747 175.865 176.600 0.020 0.000 1.037 508 E CA -0.463 55.939 56.400 0.004 0.000 0.854 508 E CB 0.845 30.547 29.700 0.003 0.000 1.051 508 E HN -0.108 nan 8.360 nan 0.000 0.409 509 D N 3.826 124.240 120.400 0.024 0.000 2.302 509 D HA 0.098 4.747 4.640 0.014 0.000 0.248 509 D C -0.565 175.651 176.300 -0.139 0.000 1.094 509 D CA 0.137 54.156 54.000 0.032 0.000 0.897 509 D CB 1.221 42.122 40.800 0.167 0.000 1.200 509 D HN 0.412 nan 8.370 nan 0.000 0.429 510 Q N 1.725 121.330 119.800 -0.326 0.000 2.700 510 Q HA 0.244 4.593 4.340 0.014 0.000 0.249 510 Q C -2.166 173.230 176.000 -1.006 0.000 1.033 510 Q CA -1.554 53.835 55.803 -0.690 0.000 0.804 510 Q CB 1.995 30.260 28.738 -0.788 0.000 1.164 510 Q HN 0.155 nan 8.270 nan 0.000 0.500 511 P HA -0.016 nan 4.420 nan 0.000 0.232 511 P C -0.728 176.279 177.300 -0.490 0.000 1.738 511 P CA -0.152 62.547 63.100 -0.667 0.000 0.948 511 P CB -0.447 31.093 31.700 -0.267 0.000 1.943 512 F N 2.872 122.636 119.950 -0.309 0.000 2.595 512 F HA 0.089 4.623 4.527 0.013 0.000 0.359 512 F C -0.973 174.712 175.800 -0.191 0.000 1.147 512 F CA -2.024 55.855 58.000 -0.201 0.000 1.341 512 F CB -1.042 37.858 39.000 -0.167 0.000 1.104 512 F HN 0.155 nan 8.300 nan 0.000 0.603 513 P HA 0.178 nan 4.420 nan 0.000 0.271 513 P C 0.294 177.601 177.300 0.011 0.000 1.216 513 P CA 0.962 64.075 63.100 0.021 0.000 0.771 513 P CB 1.254 32.967 31.700 0.022 0.000 0.864 514 A N 3.372 126.191 122.820 -0.001 0.000 2.070 514 A HA -0.261 4.067 4.320 0.014 0.000 0.231 514 A C 0.832 178.411 177.584 -0.008 0.000 0.501 514 A CA 2.029 54.068 52.037 0.005 0.000 1.119 514 A CB -2.750 16.256 19.000 0.010 0.000 1.430 514 A HN 0.680 nan 8.150 nan 0.000 0.706 515 V N -2.509 117.394 119.914 -0.018 0.000 2.592 515 V HA 0.556 4.685 4.120 0.014 0.000 0.278 515 V C -2.251 173.811 176.094 -0.053 0.000 1.087 515 V CA -1.300 60.986 62.300 -0.022 0.000 1.282 515 V CB 0.375 32.192 31.823 -0.010 0.000 1.543 515 V HN 0.528 nan 8.190 nan 0.000 0.606 516 P HA 0.234 nan 4.420 nan 0.000 0.269 516 P C -0.548 176.371 177.300 -0.634 0.000 1.209 516 P CA 0.124 62.827 63.100 -0.662 0.000 0.776 516 P CB 0.983 31.746 31.700 -1.563 0.000 0.876 517 K N 2.694 122.846 120.400 -0.413 0.000 2.290 517 K HA 0.184 4.512 4.320 0.014 0.000 0.250 517 K C -0.256 176.181 176.600 -0.272 0.000 1.092 517 K CA -0.260 55.947 56.287 -0.132 0.000 1.006 517 K CB 0.206 32.847 32.500 0.236 0.000 1.549 517 K HN 0.477 nan 8.250 nan 0.000 0.436 518 W N 1.203 122.273 121.300 -0.382 0.000 2.112 518 W HA 0.004 4.673 4.660 0.016 0.000 0.349 518 W C 1.319 177.868 176.519 0.050 0.000 1.289 518 W CA -0.459 56.704 57.345 -0.303 0.000 1.256 518 W CB 0.448 29.509 29.460 -0.665 0.000 1.148 518 W HN 0.344 nan 8.180 nan 0.000 0.590 519 S N 3.085 118.964 115.700 0.299 0.000 2.575 519 S HA -0.076 4.402 4.470 0.014 0.000 0.295 519 S C 1.222 175.971 174.600 0.250 0.000 1.267 519 S CA -0.219 58.093 58.200 0.186 0.000 1.074 519 S CB -0.079 63.168 63.200 0.079 0.000 0.829 519 S HN 0.474 nan 8.310 nan 0.000 0.497 520 I N 3.218 123.909 120.570 0.203 0.000 2.335 520 I HA -0.178 4.001 4.170 0.014 0.000 0.251 520 I C 2.025 178.147 176.117 0.008 0.000 1.129 520 I CA 1.351 62.754 61.300 0.172 0.000 1.402 520 I CB -0.330 37.720 38.000 0.084 0.000 1.069 520 I HN 0.549 nan 8.210 nan 0.000 0.424 521 K N 1.469 121.776 120.400 -0.154 0.000 2.057 521 K HA -0.134 4.194 4.320 0.014 0.000 0.206 521 K C 2.295 178.851 176.600 -0.073 0.000 1.050 521 K CA 1.587 57.664 56.287 -0.350 0.000 0.935 521 K CB -0.200 32.029 32.500 -0.451 0.000 0.715 521 K HN 0.360 nan 8.250 nan 0.000 0.439 522 K N 0.141 120.539 120.400 -0.003 0.000 2.097 522 K HA -0.185 4.143 4.320 0.014 0.000 0.205 522 K C 1.910 178.525 176.600 0.025 0.000 1.050 522 K CA 1.028 57.308 56.287 -0.013 0.000 0.938 522 K CB -0.099 32.359 32.500 -0.070 0.000 0.718 522 K HN 0.227 nan 8.250 nan 0.000 0.442 523 W N 2.096 123.364 121.300 -0.054 0.000 2.335 523 W HA -0.200 4.465 4.660 0.009 0.000 0.311 523 W C 1.669 178.166 176.519 -0.036 0.000 1.213 523 W CA 1.210 58.543 57.345 -0.020 0.000 1.274 523 W CB -0.700 28.822 29.460 0.103 0.000 1.148 523 W HN 0.096 nan 8.180 nan 0.000 0.498 524 L N 0.816 122.190 121.223 0.252 0.000 2.043 524 L HA -0.266 4.082 4.340 0.014 0.000 0.212 524 L C 2.281 179.219 176.870 0.114 0.000 1.075 524 L CA 2.116 57.039 54.840 0.139 0.000 0.752 524 L CB -1.092 41.028 42.059 0.102 0.000 0.891 524 L HN -0.018 nan 8.230 nan 0.000 0.432 525 S N -1.357 114.395 115.700 0.087 0.000 2.597 525 S HA 0.242 4.721 4.470 0.014 0.000 0.224 525 S C 0.571 175.167 174.600 -0.008 0.000 0.955 525 S CA -0.508 57.718 58.200 0.042 0.000 0.933 525 S CB -0.487 62.739 63.200 0.044 0.000 0.788 525 S HN 0.155 nan 8.310 nan 0.000 0.488 526 L N 2.239 123.451 121.223 -0.018 0.000 2.543 526 L HA 0.175 4.524 4.340 0.014 0.000 0.285 526 L C -2.191 174.656 176.870 -0.039 0.000 1.236 526 L CA -1.546 53.241 54.840 -0.088 0.000 0.871 526 L CB -0.184 41.810 42.059 -0.109 0.000 1.121 526 L HN 0.042 nan 8.230 nan 0.000 0.501 527 P HA -0.030 nan 4.420 nan 0.000 0.258 527 P C 0.720 178.017 177.300 -0.004 0.000 1.172 527 P CA 1.135 64.216 63.100 -0.031 0.000 0.762 527 P CB 0.522 32.197 31.700 -0.042 0.000 0.764 528 G N 2.045 110.849 108.800 0.007 0.000 2.241 528 G HA2 -0.256 3.712 3.960 0.014 0.000 0.244 528 G HA3 -0.256 3.712 3.960 0.014 0.000 0.244 528 G C 0.299 175.219 174.900 0.032 0.000 0.998 528 G CA -0.029 45.083 45.100 0.020 0.000 0.621 528 G HN 0.601 nan 8.290 nan 0.000 0.519 529 E N 1.249 121.475 120.200 0.043 0.000 2.338 529 E HA 0.586 4.944 4.350 0.014 0.000 0.272 529 E C 1.465 178.094 176.600 0.048 0.000 1.029 529 E CA 0.799 57.236 56.400 0.063 0.000 0.872 529 E CB 0.916 30.681 29.700 0.109 0.000 1.015 529 E HN 0.547 nan 8.360 nan 0.000 0.417 530 T N 0.573 115.151 114.554 0.040 0.000 2.966 530 T HA 0.294 4.652 4.350 0.014 0.000 0.254 530 T C 0.622 175.333 174.700 0.019 0.000 0.961 530 T CA -0.400 61.717 62.100 0.029 0.000 0.915 530 T CB 0.061 68.945 68.868 0.027 0.000 1.186 530 T HN 0.263 nan 8.240 nan 0.000 0.505 531 R N 2.783 123.290 120.500 0.011 0.000 2.784 531 R HA 0.336 4.684 4.340 0.014 0.000 0.266 531 R C -2.391 173.889 176.300 -0.034 0.000 1.044 531 R CA -1.444 54.651 56.100 -0.010 0.000 1.151 531 R CB -0.094 30.192 30.300 -0.022 0.000 1.037 531 R HN 0.307 nan 8.270 nan 0.000 0.478 532 P HA 0.032 nan 4.420 nan 0.000 0.274 532 P C -0.960 176.263 177.300 -0.128 0.000 1.237 532 P CA -0.018 63.038 63.100 -0.074 0.000 0.793 532 P CB 0.716 32.376 31.700 -0.067 0.000 0.977 533 L N 3.087 124.215 121.223 -0.159 0.000 2.319 533 L HA 0.522 4.870 4.340 0.014 0.000 0.281 533 L C -0.753 175.965 176.870 -0.254 0.000 1.005 533 L CA -0.650 54.054 54.840 -0.225 0.000 0.828 533 L CB 0.404 42.324 42.059 -0.232 0.000 1.227 533 L HN 0.246 nan 8.230 nan 0.000 0.415 534 I N 5.748 126.177 120.570 -0.236 0.000 2.468 534 I HA 0.238 4.417 4.170 0.014 0.000 0.284 534 I C -0.721 175.300 176.117 -0.160 0.000 1.038 534 I CA -0.624 60.522 61.300 -0.257 0.000 1.083 534 I CB 1.833 39.733 38.000 -0.167 0.000 1.223 534 I HN 0.428 nan 8.210 nan 0.000 0.443 535 L N 5.738 126.836 121.223 -0.209 0.000 2.513 535 L HA 0.002 4.350 4.340 0.014 0.000 0.272 535 L C 1.512 178.453 176.870 0.119 0.000 1.187 535 L CA -0.011 54.778 54.840 -0.086 0.000 0.895 535 L CB 0.459 42.451 42.059 -0.111 0.000 1.147 535 L HN 0.858 nan 8.230 nan 0.000 0.483 536 C N 0.278 119.638 119.300 0.099 0.000 2.446 536 C HA 0.131 4.599 4.460 0.014 0.000 0.279 536 C C 0.677 175.803 174.990 0.226 0.000 1.366 536 C CA -0.174 58.948 59.018 0.173 0.000 1.763 536 C CB -0.942 26.810 27.740 0.020 0.000 1.929 536 C HN 0.815 nan 8.230 nan 0.000 0.509 537 E N -0.478 119.775 120.200 0.089 0.000 2.290 537 E HA 0.611 4.969 4.350 0.014 0.000 0.274 537 E C -1.362 175.186 176.600 -0.086 0.000 0.889 537 E CA -0.355 56.063 56.400 0.030 0.000 0.760 537 E CB 2.073 31.592 29.700 -0.303 0.000 1.206 537 E HN 0.607 nan 8.360 nan 0.000 0.419 538 Y N -0.393 119.907 120.300 0.001 0.000 2.656 538 Y HA 0.620 5.179 4.550 0.016 0.000 0.334 538 Y C -0.868 175.208 175.900 0.294 0.000 1.179 538 Y CA -0.988 57.143 58.100 0.052 0.000 1.050 538 Y CB 0.643 38.977 38.460 -0.210 0.000 1.308 538 Y HN 0.654 nan 8.280 nan 0.000 0.456 539 A N 2.404 125.292 122.820 0.112 0.000 2.060 539 A HA -0.237 4.092 4.320 0.014 0.000 0.267 539 A C -0.445 177.275 177.584 0.225 0.000 1.378 539 A CA 1.005 53.120 52.037 0.131 0.000 0.733 539 A CB -2.392 16.625 19.000 0.029 0.000 1.188 539 A HN 1.155 nan 8.150 nan 0.000 0.311 540 H N 1.257 120.470 119.070 0.239 0.000 3.145 540 H HA 0.295 4.859 4.556 0.013 0.000 0.263 540 H C 1.090 176.479 175.328 0.102 0.000 1.057 540 H CA 0.895 57.086 56.048 0.237 0.000 1.477 540 H CB 0.478 30.267 29.762 0.046 0.000 1.529 540 H HN 0.833 nan 8.280 nan 0.000 0.508 541 A N 6.671 129.444 122.820 -0.078 0.000 3.019 541 A HA 0.076 4.404 4.320 0.014 0.000 0.262 541 A C 0.816 178.299 177.584 -0.169 0.000 1.509 541 A CA -0.383 51.573 52.037 -0.136 0.000 1.159 541 A CB -0.620 18.251 19.000 -0.215 0.000 1.042 541 A HN 0.773 nan 8.150 nan 0.000 0.641 542 M N 1.481 121.034 119.600 -0.077 0.000 2.105 542 M HA 0.442 4.931 4.480 0.014 0.000 0.350 542 M C 1.095 177.309 176.300 -0.144 0.000 1.308 542 M CA 1.162 56.410 55.300 -0.086 0.000 1.108 542 M CB 0.025 32.653 32.600 0.047 0.000 1.622 542 M HN 0.823 nan 8.290 nan 0.000 0.468 543 G N 4.329 113.041 108.800 -0.147 0.000 2.596 543 G HA2 -0.356 3.612 3.960 0.014 0.000 0.295 543 G HA3 -0.356 3.612 3.960 0.014 0.000 0.295 543 G C -0.072 174.522 174.900 -0.510 0.000 1.240 543 G CA 0.173 45.080 45.100 -0.321 0.000 0.985 543 G HN 0.830 nan 8.290 nan 0.000 0.555 544 N N 1.394 119.554 118.700 -0.900 0.000 2.466 544 N HA 0.476 5.224 4.740 0.014 0.000 0.263 544 N C -0.049 175.270 175.510 -0.318 0.000 1.178 544 N CA 1.114 53.788 53.050 -0.627 0.000 0.983 544 N CB 0.342 38.420 38.487 -0.683 0.000 1.331 544 N HN 0.788 nan 8.380 nan 0.000 0.500 545 S N 2.044 117.644 115.700 -0.167 0.000 2.880 545 S HA 0.611 5.089 4.470 0.014 0.000 0.308 545 S C -0.198 174.366 174.600 -0.060 0.000 1.195 545 S CA -0.391 57.743 58.200 -0.110 0.000 0.866 545 S CB 0.192 63.346 63.200 -0.076 0.000 1.254 545 S HN 0.400 nan 8.310 nan 0.000 0.571 546 L N 0.210 121.423 121.223 -0.015 0.000 4.447 546 L HA -0.044 4.304 4.340 0.014 0.000 0.400 546 L C 0.356 177.280 176.870 0.090 0.000 1.110 546 L CA 0.879 55.731 54.840 0.021 0.000 1.010 546 L CB -1.604 40.378 42.059 -0.129 0.000 2.154 546 L HN 0.726 nan 8.230 nan 0.000 0.685 547 G N -0.607 108.220 108.800 0.045 0.000 2.361 547 G HA2 0.504 4.473 3.960 0.014 0.000 0.260 547 G HA3 0.504 4.473 3.960 0.014 0.000 0.260 547 G C 1.154 176.113 174.900 0.099 0.000 1.261 547 G CA 0.195 45.299 45.100 0.007 0.000 0.897 547 G HN 1.439 nan 8.290 nan 0.000 0.499 548 G N 1.486 110.349 108.800 0.104 0.000 2.132 548 G HA2 -0.288 3.681 3.960 0.014 0.000 0.228 548 G HA3 -0.288 3.681 3.960 0.014 0.000 0.228 548 G C 0.782 175.890 174.900 0.346 0.000 1.000 548 G CA 0.591 45.808 45.100 0.195 0.000 0.693 548 G HN 0.753 nan 8.290 nan 0.000 0.515 549 F N 1.337 121.431 119.950 0.240 0.000 2.206 549 F HA 0.288 4.824 4.527 0.015 0.000 0.298 549 F C 2.543 178.584 175.800 0.403 0.000 1.090 549 F CA 2.151 60.375 58.000 0.373 0.000 1.323 549 F CB -0.215 38.939 39.000 0.257 0.000 1.028 549 F HN 0.314 nan 8.300 nan 0.000 0.492 550 A N -0.251 122.763 122.820 0.324 0.000 2.015 550 A HA -0.200 4.128 4.320 0.014 0.000 0.219 550 A C 2.267 179.904 177.584 0.089 0.000 1.163 550 A CA 1.576 53.736 52.037 0.204 0.000 0.646 550 A CB -0.735 18.386 19.000 0.202 0.000 0.806 550 A HN 0.416 nan 8.150 nan 0.000 0.448 551 K N -1.569 118.862 120.400 0.050 0.000 2.097 551 K HA -0.177 4.151 4.320 0.014 0.000 0.206 551 K C 1.684 178.088 176.600 -0.327 0.000 1.049 551 K CA 1.601 57.828 56.287 -0.101 0.000 0.933 551 K CB -0.306 32.128 32.500 -0.110 0.000 0.717 551 K HN 0.550 nan 8.250 nan 0.000 0.442 552 Y N -0.854 119.210 120.300 -0.393 0.000 2.114 552 Y HA -0.236 4.322 4.550 0.013 0.000 0.284 552 Y C 1.936 176.949 175.900 -1.478 0.000 1.143 552 Y CA 1.674 59.173 58.100 -1.001 0.000 1.135 552 Y CB -0.423 37.455 38.460 -0.970 0.000 0.980 552 Y HN 0.181 nan 8.280 nan 0.000 0.499 553 W N -0.153 120.769 121.300 -0.631 0.000 2.467 553 W HA -0.119 4.550 4.660 0.016 0.000 0.275 553 W C 2.562 178.948 176.519 -0.223 0.000 1.239 553 W CA 1.141 58.252 57.345 -0.390 0.000 1.266 553 W CB -0.331 28.985 29.460 -0.240 0.000 1.112 553 W HN 0.054 nan 8.180 nan 0.000 0.576 554 Q N 0.860 120.631 119.800 -0.048 0.000 2.079 554 Q HA -0.148 4.200 4.340 0.014 0.000 0.200 554 Q C 2.208 178.184 176.000 -0.041 0.000 0.974 554 Q CA 1.952 57.746 55.803 -0.015 0.000 0.840 554 Q CB -0.508 28.227 28.738 -0.005 0.000 0.898 554 Q HN 0.253 nan 8.270 nan 0.000 0.430 555 A N 0.240 122.953 122.820 -0.179 0.000 1.930 555 A HA -0.133 4.195 4.320 0.014 0.000 0.217 555 A C 1.808 179.398 177.584 0.011 0.000 1.175 555 A CA 1.165 53.127 52.037 -0.125 0.000 0.627 555 A CB -0.775 18.021 19.000 -0.341 0.000 0.815 555 A HN 0.375 nan 8.150 nan 0.000 0.443 556 F N 0.044 119.882 119.950 -0.187 0.000 2.171 556 F HA -0.071 4.464 4.527 0.013 0.000 0.300 556 F C 2.502 178.237 175.800 -0.108 0.000 1.090 556 F CA 1.136 58.983 58.000 -0.255 0.000 1.293 556 F CB -0.724 37.934 39.000 -0.570 0.000 1.013 556 F HN 0.178 nan 8.300 nan 0.000 0.486 557 R N -0.433 120.155 120.500 0.145 0.000 2.119 557 R HA -0.099 4.250 4.340 0.014 0.000 0.222 557 R C 2.157 178.498 176.300 0.069 0.000 1.088 557 R CA 0.844 56.998 56.100 0.091 0.000 0.984 557 R CB -0.350 29.997 30.300 0.080 0.000 0.884 557 R HN 0.351 nan 8.270 nan 0.000 0.447 558 Q N -0.266 119.597 119.800 0.105 0.000 2.096 558 Q HA -0.064 4.284 4.340 0.014 0.000 0.197 558 Q C -0.383 175.627 176.000 0.016 0.000 0.964 558 Q CA 1.020 56.860 55.803 0.062 0.000 0.838 558 Q CB 0.338 29.136 28.738 0.099 0.000 0.906 558 Q HN 0.194 nan 8.270 nan 0.000 0.444 559 Y N 0.449 120.742 120.300 -0.011 0.000 2.404 559 Y HA 0.216 4.772 4.550 0.011 0.000 0.344 559 Y C -1.734 174.150 175.900 -0.026 0.000 0.970 559 Y CA -2.623 55.469 58.100 -0.013 0.000 1.180 559 Y CB 1.248 39.706 38.460 -0.004 0.000 1.138 559 Y HN 0.183 nan 8.280 nan 0.000 0.510 560 P HA -0.241 nan 4.420 nan 0.000 0.217 560 P C 1.206 178.516 177.300 0.016 0.000 1.162 560 P CA 2.017 65.126 63.100 0.015 0.000 0.901 560 P CB 0.288 31.982 31.700 -0.010 0.000 0.793 561 R N -1.278 119.252 120.500 0.049 0.000 2.316 561 R HA 0.076 4.424 4.340 0.014 0.000 0.202 561 R C 0.482 176.767 176.300 -0.026 0.000 1.029 561 R CA 0.105 56.212 56.100 0.012 0.000 1.018 561 R CB -0.552 29.766 30.300 0.031 0.000 0.888 561 R HN 0.244 nan 8.270 nan 0.000 0.471 562 L N 1.711 122.941 121.223 0.011 0.000 2.295 562 L HA 0.108 4.457 4.340 0.014 0.000 0.288 562 L C 0.610 177.348 176.870 -0.221 0.000 1.079 562 L CA 0.271 55.068 54.840 -0.073 0.000 0.830 562 L CB 1.096 43.198 42.059 0.072 0.000 1.200 562 L HN 0.076 nan 8.230 nan 0.000 0.438 563 Q N 2.860 122.427 119.800 -0.388 0.000 2.175 563 Q HA 0.321 4.670 4.340 0.014 0.000 0.225 563 Q C 0.743 176.300 176.000 -0.738 0.000 0.837 563 Q CA 0.086 55.629 55.803 -0.434 0.000 1.032 563 Q CB 1.230 29.810 28.738 -0.264 0.000 1.137 563 Q HN 0.976 nan 8.270 nan 0.000 0.483 564 G N -0.272 107.665 108.800 -1.438 0.000 2.445 564 G HA2 0.072 4.041 3.960 0.014 0.000 0.212 564 G HA3 0.072 4.041 3.960 0.014 0.000 0.212 564 G C -0.239 173.751 174.900 -1.518 0.000 1.217 564 G CA -0.714 43.127 45.100 -2.098 0.000 1.002 564 G HN 0.566 nan 8.290 nan 0.000 0.574 565 G N -2.191 106.015 108.800 -0.990 0.000 2.430 565 G HA2 0.654 4.623 3.960 0.014 0.000 0.300 565 G HA3 0.654 4.623 3.960 0.014 0.000 0.300 565 G C -1.809 172.991 174.900 -0.167 0.000 1.330 565 G CA -0.305 44.470 45.100 -0.542 0.000 0.813 565 G HN 1.103 nan 8.290 nan 0.000 0.487 566 F N 0.667 120.819 119.950 0.337 0.000 2.402 566 F HA 0.519 5.053 4.527 0.012 0.000 0.355 566 F C 0.792 176.882 175.800 0.484 0.000 1.123 566 F CA -0.759 57.487 58.000 0.410 0.000 1.021 566 F CB 2.020 41.162 39.000 0.237 0.000 1.160 566 F HN 0.225 nan 8.300 nan 0.000 0.451 567 V N 3.526 123.762 119.914 0.536 0.000 2.763 567 V HA -0.149 3.979 4.120 0.014 0.000 0.306 567 V C -0.255 176.003 176.094 0.274 0.000 1.059 567 V CA -0.190 62.228 62.300 0.197 0.000 1.138 567 V CB 0.641 32.594 31.823 0.218 0.000 0.940 567 V HN 0.748 nan 8.190 nan 0.000 0.489 568 W N 6.591 127.953 121.300 0.102 0.000 2.294 568 W HA 0.449 5.116 4.660 0.013 0.000 0.314 568 W C -0.760 175.722 176.519 -0.062 0.000 1.044 568 W CA -0.686 56.729 57.345 0.116 0.000 1.284 568 W CB 1.387 31.043 29.460 0.327 0.000 1.231 568 W HN 0.918 nan 8.180 nan 0.000 0.419 569 D N 2.764 122.863 120.400 -0.502 0.000 2.958 569 D HA 0.112 4.760 4.640 0.014 0.000 0.306 569 D C 0.786 176.874 176.300 -0.353 0.000 1.226 569 D CA -0.503 53.113 54.000 -0.640 0.000 1.032 569 D CB 0.174 40.043 40.800 -1.551 0.000 1.400 569 D HN 0.416 nan 8.370 nan 0.000 0.587 570 W N 0.314 121.309 121.300 -0.507 0.000 2.418 570 W HA 0.155 4.823 4.660 0.014 0.000 0.319 570 W C -0.085 176.220 176.519 -0.357 0.000 1.183 570 W CA 1.020 58.126 57.345 -0.398 0.000 1.327 570 W CB 0.283 29.537 29.460 -0.345 0.000 1.163 570 W HN 0.123 nan 8.180 nan 0.000 0.479 571 V N 2.577 122.231 119.914 -0.434 0.000 2.656 571 V HA 0.223 4.351 4.120 0.014 0.000 0.307 571 V C -0.964 174.909 176.094 -0.369 0.000 1.051 571 V CA -0.773 61.230 62.300 -0.495 0.000 0.893 571 V CB 1.545 33.192 31.823 -0.293 0.000 0.999 571 V HN -0.088 nan 8.190 nan 0.000 0.426 572 D N 4.134 124.324 120.400 -0.349 0.000 2.487 572 D HA 0.088 4.736 4.640 0.014 0.000 0.243 572 D C 0.294 176.410 176.300 -0.306 0.000 1.154 572 D CA 0.696 54.544 54.000 -0.253 0.000 0.876 572 D CB 0.841 41.582 40.800 -0.098 0.000 1.161 572 D HN 0.586 nan 8.370 nan 0.000 0.478 573 Q N 1.169 120.716 119.800 -0.422 0.000 3.122 573 Q HA 0.135 4.483 4.340 0.014 0.000 0.360 573 Q C -0.191 175.746 176.000 -0.104 0.000 1.300 573 Q CA -0.309 55.008 55.803 -0.809 0.000 0.982 573 Q CB 0.078 28.490 28.738 -0.543 0.000 1.534 573 Q HN 0.335 nan 8.270 nan 0.000 0.474 574 S N -0.034 115.712 115.700 0.078 0.000 2.489 574 S HA 0.606 5.085 4.470 0.014 0.000 0.291 574 S C -0.242 174.507 174.600 0.248 0.000 1.151 574 S CA -0.818 57.552 58.200 0.284 0.000 1.082 574 S CB 1.237 64.587 63.200 0.249 0.000 1.019 574 S HN 0.319 nan 8.310 nan 0.000 0.492 575 L N 2.906 124.200 121.223 0.117 0.000 2.334 575 L HA 0.495 4.843 4.340 0.014 0.000 0.275 575 L C -0.028 176.724 176.870 -0.196 0.000 1.036 575 L CA -1.255 53.529 54.840 -0.093 0.000 0.807 575 L CB 0.959 42.848 42.059 -0.283 0.000 1.231 575 L HN 0.551 nan 8.230 nan 0.000 0.438 576 I N 2.638 123.035 120.570 -0.288 0.000 2.533 576 I HA 0.136 4.314 4.170 0.014 0.000 0.284 576 I C 0.340 176.029 176.117 -0.713 0.000 1.109 576 I CA 0.399 61.395 61.300 -0.507 0.000 1.412 576 I CB 0.256 37.977 38.000 -0.465 0.000 1.396 576 I HN 0.628 nan 8.210 nan 0.000 0.543 577 K N 5.433 125.139 120.400 -1.158 0.000 2.346 577 K HA 0.611 4.939 4.320 0.014 0.000 0.238 577 K C -1.514 174.262 176.600 -1.373 0.000 1.039 577 K CA -0.745 54.784 56.287 -1.262 0.000 0.861 577 K CB 2.233 33.735 32.500 -1.663 0.000 1.278 577 K HN 0.276 nan 8.250 nan 0.000 0.460 578 Y N 0.618 120.681 120.300 -0.396 0.000 2.442 578 Y HA 0.137 4.695 4.550 0.014 0.000 0.344 578 Y C -0.283 175.732 175.900 0.191 0.000 0.976 578 Y CA -1.181 56.878 58.100 -0.068 0.000 1.040 578 Y CB 1.558 39.986 38.460 -0.054 0.000 1.228 578 Y HN 0.669 nan 8.280 nan 0.000 0.451 579 D N -0.140 120.538 120.400 0.463 0.000 2.423 579 D HA 0.056 4.705 4.640 0.014 0.000 0.255 579 D C 0.927 177.338 176.300 0.185 0.000 1.174 579 D CA -0.564 53.621 54.000 0.310 0.000 1.008 579 D CB 0.583 41.508 40.800 0.207 0.000 1.101 579 D HN 0.734 nan 8.370 nan 0.000 0.516 580 E N -0.081 120.187 120.200 0.113 0.000 2.204 580 E HA -0.264 4.094 4.350 0.014 0.000 0.195 580 E C 0.781 177.415 176.600 0.057 0.000 0.990 580 E CA 0.812 57.253 56.400 0.069 0.000 0.821 580 E CB -0.464 29.262 29.700 0.042 0.000 0.750 580 E HN 0.367 nan 8.360 nan 0.000 0.477 581 N N 0.816 119.558 118.700 0.070 0.000 2.396 581 N HA -0.038 4.710 4.740 0.014 0.000 0.180 581 N C 1.355 176.902 175.510 0.062 0.000 1.028 581 N CA 1.348 54.432 53.050 0.057 0.000 0.893 581 N CB 0.615 39.137 38.487 0.059 0.000 0.967 581 N HN 0.507 nan 8.380 nan 0.000 0.440 582 G N 0.613 109.471 108.800 0.097 0.000 2.168 582 G HA2 -0.196 3.772 3.960 0.014 0.000 0.197 582 G HA3 -0.196 3.772 3.960 0.014 0.000 0.197 582 G C -0.428 174.581 174.900 0.180 0.000 0.997 582 G CA -0.546 44.603 45.100 0.081 0.000 0.658 582 G HN 0.223 nan 8.290 nan 0.000 0.513 583 N N 2.365 121.200 118.700 0.226 0.000 2.488 583 N HA 0.456 5.204 4.740 0.014 0.000 0.274 583 N C -2.505 173.199 175.510 0.323 0.000 1.111 583 N CA -1.168 52.028 53.050 0.244 0.000 0.974 583 N CB 1.643 40.241 38.487 0.185 0.000 1.089 583 N HN 0.223 nan 8.380 nan 0.000 0.465 584 P HA 0.226 nan 4.420 nan 0.000 0.279 584 P C -0.501 176.804 177.300 0.008 0.000 1.239 584 P CA -0.336 62.725 63.100 -0.065 0.000 0.789 584 P CB 0.570 32.244 31.700 -0.043 0.000 0.933 585 W N 0.110 121.224 121.300 -0.309 0.000 3.256 585 W HA 0.370 5.038 4.660 0.014 0.000 0.324 585 W C -1.365 174.995 176.519 -0.264 0.000 1.196 585 W CA -1.059 56.107 57.345 -0.298 0.000 1.206 585 W CB 0.335 29.462 29.460 -0.556 0.000 1.385 585 W HN 0.120 nan 8.180 nan 0.000 0.522 586 S N 2.082 117.834 115.700 0.087 0.000 2.481 586 S HA 0.457 4.936 4.470 0.014 0.000 0.282 586 S C 0.273 174.996 174.600 0.204 0.000 1.243 586 S CA 0.085 58.332 58.200 0.078 0.000 1.078 586 S CB 0.446 63.755 63.200 0.182 0.000 0.916 586 S HN 0.583 nan 8.310 nan 0.000 0.495 587 A N 3.358 126.161 122.820 -0.029 0.000 2.340 587 A HA 0.857 5.185 4.320 0.014 0.000 0.331 587 A C -0.671 177.119 177.584 0.343 0.000 1.140 587 A CA -0.795 51.247 52.037 0.009 0.000 0.801 587 A CB 0.757 19.401 19.000 -0.594 0.000 1.234 587 A HN 0.831 nan 8.150 nan 0.000 0.469 588 Y N -0.645 119.940 120.300 0.474 0.000 2.790 588 Y HA 0.760 5.319 4.550 0.014 0.000 0.323 588 Y C 0.618 176.877 175.900 0.598 0.000 1.230 588 Y CA -1.422 57.000 58.100 0.537 0.000 1.121 588 Y CB 0.063 38.669 38.460 0.243 0.000 1.328 588 Y HN 0.961 nan 8.280 nan 0.000 0.514 589 G N 0.181 109.366 108.800 0.641 0.000 2.109 589 G HA2 0.357 4.325 3.960 0.014 0.000 0.249 589 G HA3 0.357 4.325 3.960 0.014 0.000 0.249 589 G C 0.913 176.115 174.900 0.504 0.000 1.126 589 G CA 0.623 46.014 45.100 0.485 0.000 0.923 589 G HN 2.014 nan 8.290 nan 0.000 0.439 590 G N 2.379 111.453 108.800 0.455 0.000 2.259 590 G HA2 -0.246 3.722 3.960 0.014 0.000 0.217 590 G HA3 -0.246 3.722 3.960 0.014 0.000 0.217 590 G C 0.838 175.894 174.900 0.261 0.000 1.001 590 G CA 0.543 45.838 45.100 0.325 0.000 0.627 590 G HN 0.628 nan 8.290 nan 0.000 0.501 591 D N -0.040 120.500 120.400 0.235 0.000 2.363 591 D HA 0.226 4.874 4.640 0.014 0.000 0.226 591 D C 1.092 177.174 176.300 -0.364 0.000 1.020 591 D CA 0.427 54.384 54.000 -0.071 0.000 0.892 591 D CB -0.197 40.485 40.800 -0.197 0.000 0.900 591 D HN 0.475 nan 8.370 nan 0.000 0.531 592 F N -1.169 118.895 119.950 0.190 0.000 2.735 592 F HA 0.305 4.840 4.527 0.014 0.000 0.308 592 F C 1.758 177.641 175.800 0.139 0.000 1.112 592 F CA -0.273 57.806 58.000 0.131 0.000 1.235 592 F CB 0.871 39.947 39.000 0.126 0.000 1.027 592 F HN -0.048 nan 8.300 nan 0.000 0.528 593 G N 0.487 109.438 108.800 0.253 0.000 2.179 593 G HA2 -0.288 3.681 3.960 0.014 0.000 0.260 593 G HA3 -0.288 3.681 3.960 0.014 0.000 0.260 593 G C -0.170 174.864 174.900 0.224 0.000 0.977 593 G CA 0.176 45.397 45.100 0.201 0.000 0.641 593 G HN 0.416 nan 8.290 nan 0.000 0.533 594 D N 0.543 121.124 120.400 0.303 0.000 2.434 594 D HA 0.459 5.107 4.640 0.014 0.000 0.252 594 D C 0.090 176.511 176.300 0.202 0.000 1.185 594 D CA 1.076 55.243 54.000 0.279 0.000 0.886 594 D CB 1.423 42.448 40.800 0.375 0.000 1.148 594 D HN 0.345 nan 8.370 nan 0.000 0.483 595 T N 1.572 116.215 114.554 0.148 0.000 3.193 595 T HA 0.406 4.764 4.350 0.014 0.000 0.332 595 T C -2.833 171.905 174.700 0.063 0.000 1.208 595 T CA -1.229 60.930 62.100 0.097 0.000 1.080 595 T CB 1.048 69.973 68.868 0.095 0.000 1.180 595 T HN 0.198 nan 8.240 nan 0.000 0.469 596 P HA 0.420 nan 4.420 nan 0.000 0.271 596 P C -0.920 176.372 177.300 -0.013 0.000 1.216 596 P CA -0.335 62.766 63.100 0.001 0.000 0.776 596 P CB 0.340 32.016 31.700 -0.039 0.000 0.881 597 N N -0.890 117.811 118.700 0.001 0.000 2.312 597 N HA 0.310 5.058 4.740 0.014 0.000 0.296 597 N C -0.922 174.557 175.510 -0.051 0.000 1.193 597 N CA -0.836 52.202 53.050 -0.020 0.000 0.773 597 N CB 1.311 39.872 38.487 0.123 0.000 1.435 597 N HN 0.094 nan 8.380 nan 0.000 0.484 598 D N 0.563 120.874 120.400 -0.148 0.000 2.895 598 D HA 0.111 4.759 4.640 0.014 0.000 0.258 598 D C 0.497 176.969 176.300 0.286 0.000 1.311 598 D CA -0.121 53.848 54.000 -0.051 0.000 0.843 598 D CB 0.089 40.702 40.800 -0.312 0.000 1.055 598 D HN 0.703 nan 8.370 nan 0.000 0.486 599 R N 0.777 121.447 120.500 0.284 0.000 3.546 599 R HA -0.337 4.011 4.340 0.014 0.000 0.564 599 R C 1.200 177.575 176.300 0.126 0.000 0.241 599 R CA 1.620 57.912 56.100 0.321 0.000 1.740 599 R CB -1.481 28.928 30.300 0.182 0.000 0.853 599 R HN 0.211 nan 8.270 nan 0.000 0.621 600 Q N 1.318 120.881 119.800 -0.396 0.000 2.365 600 Q HA 0.046 4.395 4.340 0.014 0.000 0.203 600 Q C 1.408 177.149 176.000 -0.431 0.000 0.929 600 Q CA 0.863 56.170 55.803 -0.826 0.000 0.948 600 Q CB 0.204 28.198 28.738 -1.240 0.000 1.043 600 Q HN 0.603 nan 8.270 nan 0.000 0.505 601 F N 1.523 121.401 119.950 -0.119 0.000 2.722 601 F HA -0.076 4.459 4.527 0.014 0.000 0.298 601 F C 2.104 177.895 175.800 -0.016 0.000 1.175 601 F CA 0.767 58.785 58.000 0.030 0.000 1.462 601 F CB -0.064 39.015 39.000 0.132 0.000 1.111 601 F HN 0.417 nan 8.300 nan 0.000 0.592 602 C N -1.484 117.609 119.300 -0.345 0.000 2.539 602 C HA 0.205 4.673 4.460 0.014 0.000 0.268 602 C C 1.066 175.869 174.990 -0.312 0.000 1.395 602 C CA -0.441 58.172 59.018 -0.675 0.000 1.757 602 C CB -1.581 25.232 27.740 -1.545 0.000 1.851 602 C HN 0.181 nan 8.230 nan 0.000 0.545 603 M N 2.794 122.261 119.600 -0.221 0.000 2.060 603 M HA 0.288 4.777 4.480 0.014 0.000 0.342 603 M C -0.596 175.604 176.300 -0.167 0.000 1.031 603 M CA 0.302 55.497 55.300 -0.176 0.000 0.981 603 M CB -0.045 32.489 32.600 -0.110 0.000 1.376 603 M HN 0.340 nan 8.290 nan 0.000 0.397 604 N N 0.841 119.421 118.700 -0.201 0.000 2.377 604 N HA 0.238 4.987 4.740 0.014 0.000 0.259 604 N C 0.144 175.420 175.510 -0.390 0.000 1.332 604 N CA -0.521 52.380 53.050 -0.249 0.000 0.877 604 N CB 1.216 39.595 38.487 -0.181 0.000 1.299 604 N HN 0.643 nan 8.380 nan 0.000 0.501 605 G N -0.090 108.418 108.800 -0.487 0.000 2.400 605 G HA2 0.371 4.340 3.960 0.014 0.000 0.301 605 G HA3 0.371 4.340 3.960 0.014 0.000 0.301 605 G C 0.653 175.018 174.900 -0.892 0.000 1.154 605 G CA -0.596 44.122 45.100 -0.637 0.000 0.852 605 G HN 0.172 nan 8.290 nan 0.000 0.511 606 L N 0.558 121.331 121.223 -0.750 0.000 2.465 606 L HA 0.081 4.429 4.340 0.014 0.000 0.224 606 L C 0.877 177.248 176.870 -0.832 0.000 1.145 606 L CA 0.405 54.833 54.840 -0.687 0.000 0.834 606 L CB -0.371 41.455 42.059 -0.389 0.000 0.944 606 L HN 0.422 nan 8.230 nan 0.000 0.451 607 V N -5.543 113.783 119.914 -0.980 0.000 3.040 607 V HA 0.478 4.606 4.120 0.014 0.000 0.312 607 V C -0.199 175.585 176.094 -0.517 0.000 1.115 607 V CA -1.327 60.588 62.300 -0.642 0.000 0.998 607 V CB 1.519 32.960 31.823 -0.636 0.000 1.042 607 V HN -0.160 nan 8.190 nan 0.000 0.433 608 F N 1.277 121.228 119.950 0.001 0.000 2.440 608 F HA 0.572 5.107 4.527 0.014 0.000 0.323 608 F C 1.965 177.712 175.800 -0.089 0.000 1.192 608 F CA 0.523 58.539 58.000 0.026 0.000 1.252 608 F CB 0.672 39.677 39.000 0.010 0.000 1.214 608 F HN 0.781 nan 8.300 nan 0.000 0.578 609 A N 0.799 123.712 122.820 0.155 0.000 2.042 609 A HA -0.240 4.088 4.320 0.014 0.000 0.222 609 A C 1.602 179.169 177.584 -0.029 0.000 1.167 609 A CA 2.037 54.115 52.037 0.067 0.000 0.649 609 A CB -1.015 18.055 19.000 0.116 0.000 0.809 609 A HN 0.784 nan 8.150 nan 0.000 0.457 610 D N -2.654 117.747 120.400 0.000 0.000 2.336 610 D HA 0.165 4.813 4.640 0.014 0.000 0.228 610 D C 0.471 176.770 176.300 -0.003 0.000 1.120 610 D CA -0.243 53.729 54.000 -0.047 0.000 0.839 610 D CB -0.251 40.519 40.800 -0.050 0.000 0.932 610 D HN 0.164 nan 8.370 nan 0.000 0.509 611 R N -1.218 119.283 120.500 0.000 0.000 3.878 611 R HA -0.128 4.220 4.340 0.014 0.000 0.330 611 R C -0.529 175.789 176.300 0.029 0.000 1.186 611 R CA 1.001 57.093 56.100 -0.014 0.000 0.885 611 R CB -3.177 27.149 30.300 0.044 0.000 1.377 611 R HN 0.231 nan 8.270 nan 0.000 0.523 612 T N 1.791 116.407 114.554 0.104 0.000 2.832 612 T HA 0.381 4.739 4.350 0.014 0.000 0.296 612 T C -2.306 172.523 174.700 0.216 0.000 0.968 612 T CA -1.188 61.003 62.100 0.152 0.000 1.107 612 T CB 1.268 70.213 68.868 0.129 0.000 0.916 612 T HN -0.109 nan 8.240 nan 0.000 0.517 613 P HA 0.093 nan 4.420 nan 0.000 0.268 613 P C 0.110 177.472 177.300 0.103 0.000 1.204 613 P CA -0.094 63.041 63.100 0.057 0.000 0.768 613 P CB 0.313 32.041 31.700 0.046 0.000 0.842 614 H N 3.768 122.692 119.070 -0.243 0.000 2.603 614 H HA 0.058 4.622 4.556 0.014 0.000 0.370 614 H C -1.255 173.986 175.328 -0.144 0.000 1.225 614 H CA -1.602 54.277 56.048 -0.283 0.000 1.410 614 H CB 0.232 29.765 29.762 -0.380 0.000 1.495 614 H HN 0.341 nan 8.280 nan 0.000 0.602 615 P HA -0.154 nan 4.420 nan 0.000 0.218 615 P C 1.153 178.458 177.300 0.009 0.000 1.148 615 P CA 1.499 64.590 63.100 -0.016 0.000 0.822 615 P CB 0.046 31.737 31.700 -0.014 0.000 0.784 616 A N -0.677 122.154 122.820 0.018 0.000 2.019 616 A HA -0.179 4.149 4.320 0.014 0.000 0.219 616 A C 2.065 179.602 177.584 -0.078 0.000 1.164 616 A CA 1.206 53.215 52.037 -0.046 0.000 0.644 616 A CB -1.560 17.391 19.000 -0.081 0.000 0.805 616 A HN 0.160 nan 8.150 nan 0.000 0.449 617 L N -0.572 120.632 121.223 -0.032 0.000 2.042 617 L HA -0.122 4.226 4.340 0.014 0.000 0.210 617 L C 2.519 179.441 176.870 0.085 0.000 1.076 617 L CA 2.730 57.589 54.840 0.031 0.000 0.749 617 L CB -1.001 41.083 42.059 0.041 0.000 0.893 617 L HN 0.369 nan 8.230 nan 0.000 0.432 618 T N -1.833 112.778 114.554 0.094 0.000 2.962 618 T HA -0.170 4.188 4.350 0.014 0.000 0.270 618 T C 1.773 176.595 174.700 0.204 0.000 1.088 618 T CA 1.345 63.559 62.100 0.191 0.000 1.127 618 T CB -0.083 68.877 68.868 0.153 0.000 0.883 618 T HN 0.490 nan 8.240 nan 0.000 0.493 619 E N 0.611 120.861 120.200 0.082 0.000 2.072 619 E HA 0.149 4.507 4.350 0.014 0.000 0.190 619 E C 2.196 178.787 176.600 -0.014 0.000 0.982 619 E CA 1.170 57.610 56.400 0.066 0.000 0.803 619 E CB -0.531 29.175 29.700 0.010 0.000 0.755 619 E HN 0.498 nan 8.360 nan 0.000 0.453 620 A N 1.024 123.735 122.820 -0.181 0.000 1.902 620 A HA -0.207 4.121 4.320 0.014 0.000 0.217 620 A C 2.147 179.605 177.584 -0.211 0.000 1.181 620 A CA 1.806 53.693 52.037 -0.251 0.000 0.623 620 A CB -0.566 18.302 19.000 -0.221 0.000 0.818 620 A HN 0.238 nan 8.150 nan 0.000 0.443 621 K N -1.207 119.152 120.400 -0.068 0.000 2.032 621 K HA -0.271 4.057 4.320 0.014 0.000 0.209 621 K C 2.064 178.537 176.600 -0.212 0.000 1.048 621 K CA 1.940 58.197 56.287 -0.051 0.000 0.927 621 K CB -0.333 32.285 32.500 0.198 0.000 0.712 621 K HN 0.657 nan 8.250 nan 0.000 0.441 622 H N 0.226 119.088 119.070 -0.346 0.000 2.357 622 H HA -0.017 4.547 4.556 0.014 0.000 0.301 622 H C 1.866 176.922 175.328 -0.454 0.000 1.082 622 H CA 1.716 57.383 56.048 -0.635 0.000 1.342 622 H CB 0.201 29.638 29.762 -0.543 0.000 1.389 622 H HN 0.228 nan 8.280 nan 0.000 0.511 623 Q N 0.067 119.614 119.800 -0.422 0.000 2.311 623 Q HA -0.035 4.313 4.340 0.014 0.000 0.203 623 Q C 1.253 176.684 176.000 -0.947 0.000 0.954 623 Q CA 0.920 56.392 55.803 -0.552 0.000 0.885 623 Q CB 0.247 28.819 28.738 -0.277 0.000 0.963 623 Q HN 0.697 nan 8.270 nan 0.000 0.471 624 Q N 0.239 119.459 119.800 -0.968 0.000 2.222 624 Q HA 0.108 4.457 4.340 0.014 0.000 0.206 624 Q C -0.221 175.239 176.000 -0.899 0.000 0.877 624 Q CA -0.209 54.886 55.803 -1.180 0.000 0.958 624 Q CB 0.438 28.517 28.738 -1.097 0.000 1.075 624 Q HN 0.341 nan 8.270 nan 0.000 0.483 625 Q N -0.436 118.976 119.800 -0.648 0.000 2.386 625 Q HA -0.034 4.314 4.340 0.014 0.000 0.282 625 Q C -0.139 175.537 176.000 -0.540 0.000 1.050 625 Q CA 0.450 56.011 55.803 -0.403 0.000 0.918 625 Q CB 0.461 29.036 28.738 -0.272 0.000 1.266 625 Q HN 0.324 nan 8.270 nan 0.000 0.423 626 F N 0.321 120.084 119.950 -0.311 0.000 2.727 626 F HA 0.219 4.754 4.527 0.013 0.000 0.302 626 F C -0.174 175.112 175.800 -0.858 0.000 1.097 626 F CA -0.030 57.547 58.000 -0.705 0.000 1.330 626 F CB 0.586 38.861 39.000 -1.208 0.000 1.084 626 F HN 0.314 nan 8.300 nan 0.000 0.578 627 F N 0.717 120.586 119.950 -0.135 0.000 2.507 627 F HA 0.445 4.981 4.527 0.015 0.000 0.328 627 F C -0.084 175.405 175.800 -0.518 0.000 1.136 627 F CA -1.117 56.701 58.000 -0.302 0.000 0.930 627 F CB 1.153 39.999 39.000 -0.257 0.000 1.166 627 F HN -0.302 nan 8.300 nan 0.000 0.436 628 Q N 3.259 122.840 119.800 -0.365 0.000 2.235 628 Q HA 0.577 4.925 4.340 0.014 0.000 0.256 628 Q C -1.205 174.555 176.000 -0.400 0.000 0.951 628 Q CA -0.532 55.110 55.803 -0.269 0.000 0.890 628 Q CB 2.534 31.210 28.738 -0.103 0.000 1.279 628 Q HN 0.527 nan 8.270 nan 0.000 0.444 629 F N 0.190 120.268 119.950 0.213 0.000 2.576 629 F HA 0.597 5.132 4.527 0.015 0.000 0.313 629 F C 0.380 176.407 175.800 0.378 0.000 1.078 629 F CA -0.835 57.366 58.000 0.334 0.000 0.921 629 F CB 1.999 41.336 39.000 0.562 0.000 1.232 629 F HN 0.129 nan 8.300 nan 0.000 0.459 630 R N 1.471 122.248 120.500 0.461 0.000 2.698 630 R HA 0.674 5.022 4.340 0.014 0.000 0.275 630 R C -2.048 174.260 176.300 0.014 0.000 1.001 630 R CA -1.238 55.048 56.100 0.310 0.000 0.896 630 R CB 3.091 33.492 30.300 0.168 0.000 1.218 630 R HN 0.551 nan 8.270 nan 0.000 0.462 631 L N 0.682 121.803 121.223 -0.170 0.000 2.346 631 L HA 0.548 4.897 4.340 0.014 0.000 0.276 631 L C -0.880 175.854 176.870 -0.227 0.000 1.006 631 L CA 0.045 54.606 54.840 -0.465 0.000 0.817 631 L CB 2.028 43.438 42.059 -1.082 0.000 1.272 631 L HN 0.596 nan 8.230 nan 0.000 0.421 632 S N 3.768 119.347 115.700 -0.202 0.000 2.673 632 S HA 0.654 5.132 4.470 0.014 0.000 0.256 632 S C 0.176 174.697 174.600 -0.131 0.000 1.141 632 S CA 0.256 58.381 58.200 -0.126 0.000 1.109 632 S CB 0.098 63.252 63.200 -0.078 0.000 1.101 632 S HN 1.609 nan 8.310 nan 0.000 0.471 633 G N 4.617 113.342 108.800 -0.126 0.000 2.595 633 G HA2 -0.288 3.680 3.960 0.014 0.000 0.297 633 G HA3 -0.288 3.680 3.960 0.014 0.000 0.297 633 G C 0.255 175.066 174.900 -0.149 0.000 1.181 633 G CA 0.596 45.627 45.100 -0.116 0.000 0.963 633 G HN 0.730 nan 8.290 nan 0.000 0.541 634 Q N 0.976 120.688 119.800 -0.146 0.000 2.175 634 Q HA 0.330 4.678 4.340 0.014 0.000 0.225 634 Q C -0.371 175.509 176.000 -0.200 0.000 0.837 634 Q CA 0.313 56.009 55.803 -0.179 0.000 1.032 634 Q CB 0.941 29.584 28.738 -0.158 0.000 1.137 634 Q HN 0.393 nan 8.270 nan 0.000 0.483 635 T N 1.283 115.726 114.554 -0.186 0.000 2.791 635 T HA 0.479 4.837 4.350 0.014 0.000 0.288 635 T C -0.112 174.480 174.700 -0.180 0.000 0.999 635 T CA -0.408 61.597 62.100 -0.159 0.000 0.952 635 T CB 0.929 69.733 68.868 -0.107 0.000 0.938 635 T HN 0.086 nan 8.240 nan 0.000 0.444 636 I N 2.663 123.140 120.570 -0.155 0.000 2.342 636 I HA 0.316 4.494 4.170 0.014 0.000 0.291 636 I C 0.694 176.820 176.117 0.014 0.000 1.010 636 I CA -0.528 60.711 61.300 -0.102 0.000 1.308 636 I CB 0.985 38.964 38.000 -0.035 0.000 1.400 636 I HN 0.534 nan 8.210 nan 0.000 0.488 637 E N 6.666 126.899 120.200 0.055 0.000 2.055 637 E HA 0.364 4.722 4.350 0.014 0.000 0.274 637 E C -1.365 175.304 176.600 0.113 0.000 0.949 637 E CA -0.574 55.867 56.400 0.068 0.000 0.775 637 E CB 1.216 30.943 29.700 0.044 0.000 1.097 637 E HN 0.420 nan 8.360 nan 0.000 0.404 638 V N 4.272 124.237 119.914 0.084 0.000 2.383 638 V HA 0.288 4.416 4.120 0.014 0.000 0.275 638 V C 0.116 176.200 176.094 -0.018 0.000 1.036 638 V CA -0.482 61.813 62.300 -0.008 0.000 0.889 638 V CB 1.488 33.346 31.823 0.057 0.000 0.985 638 V HN 0.642 nan 8.190 nan 0.000 0.459 639 T N 3.319 117.820 114.554 -0.089 0.000 2.807 639 T HA 0.311 4.669 4.350 0.014 0.000 0.279 639 T C 0.023 174.675 174.700 -0.080 0.000 0.993 639 T CA -0.299 61.768 62.100 -0.055 0.000 0.970 639 T CB 1.547 70.374 68.868 -0.067 0.000 0.950 639 T HN 0.680 nan 8.240 nan 0.000 0.441 640 S N 1.904 117.560 115.700 -0.074 0.000 2.499 640 S HA 0.155 4.634 4.470 0.014 0.000 0.275 640 S C 0.947 175.385 174.600 -0.270 0.000 1.257 640 S CA -0.504 57.544 58.200 -0.253 0.000 1.050 640 S CB 0.429 63.567 63.200 -0.103 0.000 0.937 640 S HN 0.699 nan 8.310 nan 0.000 0.490 641 E N 3.221 123.169 120.200 -0.419 0.000 2.479 641 E HA 0.044 4.402 4.350 0.014 0.000 0.193 641 E C -0.622 175.819 176.600 -0.266 0.000 1.049 641 E CA -0.021 56.191 56.400 -0.313 0.000 0.870 641 E CB 0.198 29.693 29.700 -0.341 0.000 0.944 641 E HN 0.687 nan 8.360 nan 0.000 0.492 642 Y N 0.531 120.711 120.300 -0.200 0.000 2.480 642 Y HA -0.052 4.506 4.550 0.013 0.000 0.338 642 Y C 1.476 177.224 175.900 -0.254 0.000 1.220 642 Y CA 0.421 58.415 58.100 -0.175 0.000 1.430 642 Y CB 0.544 38.877 38.460 -0.210 0.000 1.311 642 Y HN -0.070 nan 8.280 nan 0.000 0.575 643 L N 0.799 121.889 121.223 -0.222 0.000 2.357 643 L HA 0.029 4.377 4.340 0.014 0.000 0.211 643 L C 0.772 177.185 176.870 -0.761 0.000 1.075 643 L CA 0.660 55.087 54.840 -0.690 0.000 0.830 643 L CB -0.061 41.243 42.059 -1.259 0.000 0.996 643 L HN 0.550 nan 8.230 nan 0.000 0.467 644 F N -0.577 119.386 119.950 0.021 0.000 2.581 644 F HA 0.209 4.744 4.527 0.012 0.000 0.278 644 F C 1.314 177.091 175.800 -0.039 0.000 1.000 644 F CA -0.801 57.184 58.000 -0.027 0.000 1.230 644 F CB -0.108 38.858 39.000 -0.057 0.000 1.008 644 F HN -0.160 nan 8.300 nan 0.000 0.695 645 R N 0.727 121.266 120.500 0.065 0.000 2.490 645 R HA 0.337 4.685 4.340 0.014 0.000 0.278 645 R C -0.780 175.498 176.300 -0.037 0.000 1.069 645 R CA -0.491 55.575 56.100 -0.057 0.000 1.080 645 R CB 0.575 30.717 30.300 -0.263 0.000 1.030 645 R HN 0.186 nan 8.270 nan 0.000 0.491 646 H N 0.813 119.849 119.070 -0.058 0.000 2.505 646 H HA 0.112 4.676 4.556 0.014 0.000 0.355 646 H C -0.137 175.193 175.328 0.002 0.000 1.179 646 H CA 0.051 56.098 56.048 -0.001 0.000 1.343 646 H CB 1.217 30.989 29.762 0.016 0.000 1.501 646 H HN 0.779 nan 8.280 nan 0.000 0.569 647 S N 2.429 118.027 115.700 -0.170 0.000 3.829 647 S HA -0.034 4.444 4.470 0.014 0.000 0.250 647 S C 0.135 174.847 174.600 0.187 0.000 1.263 647 S CA -0.158 58.093 58.200 0.084 0.000 0.955 647 S CB -0.569 62.711 63.200 0.133 0.000 1.611 647 S HN 0.749 nan 8.310 nan 0.000 0.483 648 D N 1.136 121.646 120.400 0.184 0.000 2.369 648 D HA 0.051 4.699 4.640 0.014 0.000 0.211 648 D C 0.359 176.712 176.300 0.088 0.000 1.077 648 D CA -0.166 53.934 54.000 0.166 0.000 0.842 648 D CB -0.243 40.631 40.800 0.124 0.000 0.947 648 D HN 0.505 nan 8.370 nan 0.000 0.509 649 N N 0.179 118.928 118.700 0.081 0.000 2.622 649 N HA 0.168 4.916 4.740 0.014 0.000 0.304 649 N C -1.491 174.056 175.510 0.063 0.000 1.844 649 N CA -0.167 52.918 53.050 0.058 0.000 0.886 649 N CB 0.381 38.895 38.487 0.046 0.000 1.366 649 N HN -0.038 nan 8.380 nan 0.000 0.491 650 E N -0.127 120.099 120.200 0.044 0.000 2.321 650 E HA 0.521 4.880 4.350 0.014 0.000 0.278 650 E C -1.429 175.151 176.600 -0.034 0.000 0.902 650 E CA -0.745 55.655 56.400 0.000 0.000 0.758 650 E CB 1.967 31.637 29.700 -0.050 0.000 1.213 650 E HN 0.251 nan 8.360 nan 0.000 0.426 651 L N -0.061 121.119 121.223 -0.072 0.000 2.393 651 L HA 0.706 5.054 4.340 0.014 0.000 0.260 651 L C -1.471 175.307 176.870 -0.153 0.000 1.002 651 L CA -1.059 53.718 54.840 -0.105 0.000 0.818 651 L CB 1.003 42.987 42.059 -0.126 0.000 1.369 651 L HN 0.495 nan 8.230 nan 0.000 0.412 652 L N 1.859 123.034 121.223 -0.081 0.000 2.275 652 L HA 0.513 4.862 4.340 0.014 0.000 0.288 652 L C -0.670 176.195 176.870 -0.008 0.000 1.046 652 L CA 0.277 55.123 54.840 0.009 0.000 0.805 652 L CB 0.502 42.645 42.059 0.139 0.000 1.193 652 L HN 0.671 nan 8.230 nan 0.000 0.426 653 H N 5.241 124.390 119.070 0.132 0.000 2.519 653 H HA 0.340 4.904 4.556 0.014 0.000 0.316 653 H C -1.055 174.364 175.328 0.151 0.000 1.065 653 H CA -0.477 55.612 56.048 0.070 0.000 1.264 653 H CB 0.690 30.455 29.762 0.005 0.000 1.413 653 H HN 0.617 nan 8.280 nan 0.000 0.465 654 W N 4.435 125.843 121.300 0.180 0.000 2.573 654 W HA 0.544 5.213 4.660 0.014 0.000 0.326 654 W C -1.649 174.935 176.519 0.109 0.000 1.049 654 W CA -1.399 56.026 57.345 0.133 0.000 1.220 654 W CB 0.898 30.420 29.460 0.104 0.000 1.373 654 W HN 0.427 nan 8.180 nan 0.000 0.507 655 M N 4.302 124.040 119.600 0.231 0.000 2.393 655 M HA 0.586 5.074 4.480 0.014 0.000 0.299 655 M C -2.269 174.179 176.300 0.246 0.000 1.103 655 M CA -0.729 54.608 55.300 0.062 0.000 0.910 655 M CB 2.041 34.639 32.600 -0.003 0.000 1.659 655 M HN 0.212 nan 8.290 nan 0.000 0.445 656 V N 4.200 124.239 119.914 0.208 0.000 2.487 656 V HA 0.982 5.110 4.120 0.014 0.000 0.298 656 V C -0.538 175.649 176.094 0.155 0.000 1.028 656 V CA -0.476 61.975 62.300 0.250 0.000 0.860 656 V CB 1.126 33.142 31.823 0.321 0.000 0.991 656 V HN 1.027 nan 8.190 nan 0.000 0.427 657 A N 4.532 127.463 122.820 0.185 0.000 2.393 657 A HA 0.853 5.181 4.320 0.014 0.000 0.306 657 A C -1.268 176.439 177.584 0.206 0.000 1.050 657 A CA -0.617 51.502 52.037 0.136 0.000 0.724 657 A CB 1.636 20.672 19.000 0.060 0.000 1.248 657 A HN 0.873 nan 8.150 nan 0.000 0.424 658 L N 2.135 123.444 121.223 0.143 0.000 2.270 658 L HA 0.428 4.776 4.340 0.014 0.000 0.286 658 L C -0.456 176.513 176.870 0.166 0.000 1.059 658 L CA 0.314 55.253 54.840 0.165 0.000 0.839 658 L CB -0.154 41.965 42.059 0.101 0.000 1.221 658 L HN 0.757 nan 8.230 nan 0.000 0.431 659 D N 4.644 125.220 120.400 0.293 0.000 2.692 659 D HA -0.225 4.423 4.640 0.014 0.000 0.233 659 D C 1.119 177.441 176.300 0.038 0.000 1.172 659 D CA 1.390 55.557 54.000 0.279 0.000 0.636 659 D CB -1.050 39.889 40.800 0.233 0.000 1.028 659 D HN 1.109 nan 8.370 nan 0.000 0.419 660 G N -0.891 107.878 108.800 -0.051 0.000 2.313 660 G HA2 -0.324 3.644 3.960 0.014 0.000 0.215 660 G HA3 -0.324 3.644 3.960 0.014 0.000 0.215 660 G C 0.290 175.088 174.900 -0.170 0.000 1.023 660 G CA 0.130 45.090 45.100 -0.234 0.000 0.626 660 G HN 0.439 nan 8.290 nan 0.000 0.503 661 K N 2.429 122.781 120.400 -0.081 0.000 2.349 661 K HA 0.464 4.792 4.320 0.014 0.000 0.288 661 K C -2.473 174.102 176.600 -0.042 0.000 1.058 661 K CA -1.484 54.764 56.287 -0.065 0.000 0.953 661 K CB 1.097 33.578 32.500 -0.031 0.000 0.997 661 K HN 0.144 nan 8.250 nan 0.000 0.477 662 P HA -0.068 nan 4.420 nan 0.000 0.268 662 P C -0.156 177.132 177.300 -0.020 0.000 1.204 662 P CA -0.141 62.927 63.100 -0.053 0.000 0.768 662 P CB 0.651 32.300 31.700 -0.086 0.000 0.842 663 L N 1.947 123.175 121.223 0.007 0.000 2.586 663 L HA 0.548 4.897 4.340 0.014 0.000 0.204 663 L C 0.254 177.147 176.870 0.037 0.000 1.053 663 L CA 0.855 55.716 54.840 0.034 0.000 0.856 663 L CB -0.123 41.978 42.059 0.070 0.000 1.192 663 L HN 0.411 nan 8.230 nan 0.000 0.484 664 A N -0.564 122.281 122.820 0.042 0.000 2.589 664 A HA 0.646 4.974 4.320 0.014 0.000 0.296 664 A C -0.832 176.609 177.584 -0.238 0.000 1.062 664 A CA 0.213 52.263 52.037 0.022 0.000 0.686 664 A CB 1.495 20.642 19.000 0.245 0.000 1.282 664 A HN 0.258 nan 8.150 nan 0.000 0.404 665 S N -0.137 115.192 115.700 -0.617 0.000 2.625 665 S HA 0.988 5.467 4.470 0.014 0.000 0.271 665 S C -0.173 173.608 174.600 -1.365 0.000 1.161 665 S CA -0.152 57.342 58.200 -1.177 0.000 0.820 665 S CB 1.291 64.147 63.200 -0.572 0.000 1.137 665 S HN 2.572 nan 8.310 nan 0.000 0.470 666 G N -0.201 107.694 108.800 -1.507 0.000 2.489 666 G HA2 0.593 4.561 3.960 0.014 0.000 0.305 666 G HA3 0.593 4.561 3.960 0.014 0.000 0.305 666 G C -2.356 172.413 174.900 -0.219 0.000 1.311 666 G CA -0.809 43.912 45.100 -0.631 0.000 0.813 666 G HN 0.765 nan 8.290 nan 0.000 0.480 667 E N -1.014 119.256 120.200 0.117 0.000 2.272 667 E HA 0.597 4.955 4.350 0.014 0.000 0.269 667 E C -1.413 175.303 176.600 0.194 0.000 0.877 667 E CA -0.849 55.641 56.400 0.150 0.000 0.755 667 E CB 3.139 32.897 29.700 0.096 0.000 1.192 667 E HN 0.296 nan 8.360 nan 0.000 0.422 668 V N 2.964 122.969 119.914 0.151 0.000 2.569 668 V HA 0.297 4.426 4.120 0.014 0.000 0.301 668 V C -2.499 173.627 176.094 0.054 0.000 1.044 668 V CA -2.110 60.262 62.300 0.119 0.000 0.874 668 V CB 1.793 33.703 31.823 0.145 0.000 1.002 668 V HN 0.562 nan 8.190 nan 0.000 0.424 669 P HA 0.186 nan 4.420 nan 0.000 0.266 669 P C -0.609 176.711 177.300 0.033 0.000 1.195 669 P CA 0.034 63.150 63.100 0.026 0.000 0.768 669 P CB 0.549 32.273 31.700 0.039 0.000 0.838 670 L N 3.236 124.468 121.223 0.015 0.000 2.257 670 L HA 0.239 4.587 4.340 0.014 0.000 0.290 670 L C 0.496 177.397 176.870 0.052 0.000 1.044 670 L CA 0.134 54.980 54.840 0.009 0.000 0.810 670 L CB 0.574 42.586 42.059 -0.078 0.000 1.193 670 L HN 0.318 nan 8.230 nan 0.000 0.425 671 D N 3.135 123.579 120.400 0.074 0.000 2.863 671 D HA 0.247 4.896 4.640 0.014 0.000 0.323 671 D C -0.785 175.536 176.300 0.034 0.000 1.286 671 D CA -0.194 53.900 54.000 0.157 0.000 0.921 671 D CB 0.584 41.494 40.800 0.183 0.000 1.024 671 D HN 0.067 nan 8.370 nan 0.000 0.505 672 V N 0.775 120.591 119.914 -0.164 0.000 2.427 672 V HA 0.793 4.921 4.120 0.014 0.000 0.286 672 V C 0.940 176.745 176.094 -0.482 0.000 1.034 672 V CA -1.288 60.919 62.300 -0.156 0.000 0.893 672 V CB 1.057 32.912 31.823 0.053 0.000 0.982 672 V HN 0.373 nan 8.190 nan 0.000 0.452 673 A N 6.876 129.579 122.820 -0.194 0.000 2.313 673 A HA 0.699 5.027 4.320 0.014 0.000 0.261 673 A C -2.210 175.356 177.584 -0.031 0.000 1.090 673 A CA -1.551 50.461 52.037 -0.041 0.000 0.807 673 A CB -0.105 18.973 19.000 0.129 0.000 1.055 673 A HN 0.719 nan 8.150 nan 0.000 0.492 674 P HA 0.062 nan 4.420 nan 0.000 0.267 674 P C -0.559 176.718 177.300 -0.039 0.000 1.205 674 P CA 0.473 63.566 63.100 -0.012 0.000 0.765 674 P CB 0.885 32.572 31.700 -0.023 0.000 0.828 675 Q N -0.963 118.799 119.800 -0.064 0.000 2.305 675 Q HA -0.164 4.184 4.340 0.014 0.000 0.203 675 Q C 0.805 176.781 176.000 -0.041 0.000 0.663 675 Q CA 1.843 57.605 55.803 -0.068 0.000 1.389 675 Q CB -2.551 26.144 28.738 -0.072 0.000 1.566 675 Q HN 0.773 nan 8.270 nan 0.000 0.755 676 G N 0.322 109.108 108.800 -0.024 0.000 2.557 676 G HA2 0.511 4.479 3.960 0.014 0.000 0.292 676 G HA3 0.511 4.479 3.960 0.014 0.000 0.292 676 G C -0.204 174.696 174.900 -0.001 0.000 1.237 676 G CA -0.455 44.642 45.100 -0.004 0.000 0.978 676 G HN 0.001 nan 8.290 nan 0.000 0.498 677 K N -0.742 119.665 120.400 0.012 0.000 2.435 677 K HA 0.477 4.806 4.320 0.014 0.000 0.251 677 K C -0.961 175.656 176.600 0.028 0.000 0.954 677 K CA -0.614 55.683 56.287 0.017 0.000 0.820 677 K CB 2.601 35.107 32.500 0.010 0.000 1.292 677 K HN 0.549 nan 8.250 nan 0.000 0.436 678 Q N 2.512 122.333 119.800 0.035 0.000 2.315 678 Q HA 0.437 4.785 4.340 0.014 0.000 0.273 678 Q C -1.771 174.251 176.000 0.036 0.000 1.053 678 Q CA -0.692 55.134 55.803 0.039 0.000 0.817 678 Q CB 1.544 30.312 28.738 0.050 0.000 1.326 678 Q HN 0.514 nan 8.270 nan 0.000 0.423 679 L N 4.703 125.940 121.223 0.024 0.000 2.322 679 L HA 0.593 4.941 4.340 0.014 0.000 0.281 679 L C -0.689 176.181 176.870 0.000 0.000 1.014 679 L CA -0.765 54.080 54.840 0.008 0.000 0.815 679 L CB 1.569 43.624 42.059 -0.005 0.000 1.247 679 L HN 0.592 nan 8.230 nan 0.000 0.421 680 I N 2.376 122.937 120.570 -0.016 0.000 2.411 680 I HA 0.192 4.371 4.170 0.014 0.000 0.284 680 I C -0.116 175.940 176.117 -0.102 0.000 1.012 680 I CA -0.519 60.757 61.300 -0.039 0.000 1.119 680 I CB 1.910 39.901 38.000 -0.015 0.000 1.261 680 I HN 0.538 nan 8.210 nan 0.000 0.448 681 E N 7.238 127.378 120.200 -0.099 0.000 2.290 681 E HA 0.303 4.662 4.350 0.014 0.000 0.277 681 E C -1.151 175.324 176.600 -0.209 0.000 1.035 681 E CA -0.044 56.278 56.400 -0.131 0.000 0.873 681 E CB 0.687 30.336 29.700 -0.085 0.000 1.029 681 E HN 0.464 nan 8.360 nan 0.000 0.419 682 L N 7.295 128.344 121.223 -0.290 0.000 2.326 682 L HA 0.399 4.747 4.340 0.014 0.000 0.278 682 L C -1.764 174.931 176.870 -0.292 0.000 1.092 682 L CA -2.176 52.389 54.840 -0.459 0.000 0.810 682 L CB 1.050 42.760 42.059 -0.581 0.000 1.153 682 L HN 0.580 nan 8.230 nan 0.000 0.439 683 P HA 0.012 nan 4.420 nan 0.000 0.271 683 P C -0.588 176.669 177.300 -0.072 0.000 1.216 683 P CA -0.334 62.714 63.100 -0.087 0.000 0.771 683 P CB 0.619 32.336 31.700 0.028 0.000 0.864 684 E N 2.498 122.673 120.200 -0.041 0.000 2.606 684 E HA 0.017 4.375 4.350 0.014 0.000 0.248 684 E C -0.246 176.360 176.600 0.009 0.000 1.005 684 E CA 0.007 56.391 56.400 -0.028 0.000 0.946 684 E CB -0.137 29.552 29.700 -0.018 0.000 0.928 684 E HN 0.343 nan 8.360 nan 0.000 0.494 685 L N 6.279 127.510 121.223 0.013 0.000 2.418 685 L HA 0.336 4.685 4.340 0.014 0.000 0.265 685 L C -1.819 175.079 176.870 0.047 0.000 1.143 685 L CA -2.236 52.640 54.840 0.059 0.000 0.809 685 L CB 0.235 42.338 42.059 0.074 0.000 1.124 685 L HN 0.507 nan 8.230 nan 0.000 0.456 686 P HA 0.060 nan 4.420 nan 0.000 0.266 686 P C -1.166 176.157 177.300 0.038 0.000 1.215 686 P CA -0.126 63.000 63.100 0.043 0.000 0.763 686 P CB 0.296 32.023 31.700 0.046 0.000 0.806 687 Q N 4.980 124.795 119.800 0.025 0.000 2.307 687 Q HA 0.187 4.535 4.340 0.014 0.000 0.261 687 Q C -1.711 174.303 176.000 0.022 0.000 1.051 687 Q CA -1.555 54.260 55.803 0.020 0.000 0.911 687 Q CB -0.075 28.670 28.738 0.011 0.000 1.227 687 Q HN 0.406 nan 8.270 nan 0.000 0.418 688 P HA 0.000 nan 4.420 nan 0.000 0.271 688 P C -0.446 176.867 177.300 0.022 0.000 1.220 688 P CA 0.098 63.215 63.100 0.028 0.000 0.768 688 P CB 1.125 32.847 31.700 0.035 0.000 0.848 689 E N 0.915 121.127 120.200 0.020 0.000 2.112 689 E HA -0.041 4.317 4.350 0.014 0.000 0.190 689 E C 0.754 177.365 176.600 0.019 0.000 0.979 689 E CA 0.550 56.960 56.400 0.017 0.000 0.814 689 E CB 0.015 29.724 29.700 0.015 0.000 0.762 689 E HN 0.595 nan 8.360 nan 0.000 0.460 690 S N 0.740 116.454 115.700 0.023 0.000 2.576 690 S HA 0.461 4.939 4.470 0.014 0.000 0.276 690 S C 0.236 174.855 174.600 0.031 0.000 1.339 690 S CA -0.674 57.541 58.200 0.026 0.000 1.039 690 S CB 1.499 64.716 63.200 0.027 0.000 0.902 690 S HN 0.191 nan 8.310 nan 0.000 0.516 691 A N 2.128 124.968 122.820 0.033 0.000 2.386 691 A HA 0.724 5.052 4.320 0.014 0.000 0.246 691 A C 1.015 178.629 177.584 0.049 0.000 1.089 691 A CA 0.226 52.284 52.037 0.036 0.000 0.790 691 A CB -0.725 18.297 19.000 0.036 0.000 1.042 691 A HN 2.330 nan 8.150 nan 0.000 0.497 692 G N -0.951 107.880 108.800 0.052 0.000 2.359 692 G HA2 0.440 4.409 3.960 0.014 0.000 0.303 692 G HA3 0.440 4.409 3.960 0.014 0.000 0.303 692 G C -1.111 173.824 174.900 0.059 0.000 1.293 692 G CA -0.108 45.037 45.100 0.075 0.000 0.964 692 G HN 1.192 nan 8.290 nan 0.000 0.531 693 Q N -0.246 119.610 119.800 0.093 0.000 2.307 693 Q HA 0.734 5.082 4.340 0.014 0.000 0.262 693 Q C -0.234 175.809 176.000 0.071 0.000 0.961 693 Q CA -0.614 55.198 55.803 0.015 0.000 0.882 693 Q CB 1.295 30.013 28.738 -0.033 0.000 1.264 693 Q HN 0.597 nan 8.270 nan 0.000 0.446 694 L N 4.051 125.248 121.223 -0.044 0.000 2.371 694 L HA 0.452 4.801 4.340 0.014 0.000 0.272 694 L C -0.715 176.090 176.870 -0.109 0.000 1.124 694 L CA -0.341 54.515 54.840 0.027 0.000 0.816 694 L CB 0.671 42.738 42.059 0.014 0.000 1.129 694 L HN 0.686 nan 8.230 nan 0.000 0.448 695 W N 3.693 125.046 121.300 0.087 0.000 2.844 695 W HA 0.535 5.203 4.660 0.013 0.000 0.340 695 W C -0.921 175.697 176.519 0.165 0.000 1.093 695 W CA -0.536 56.882 57.345 0.122 0.000 1.212 695 W CB 1.715 31.259 29.460 0.140 0.000 1.422 695 W HN 0.107 nan 8.180 nan 0.000 0.515 696 L N 2.733 124.232 121.223 0.460 0.000 2.305 696 L HA 0.732 5.080 4.340 0.014 0.000 0.284 696 L C -0.508 176.649 176.870 0.478 0.000 1.013 696 L CA 0.004 55.105 54.840 0.434 0.000 0.819 696 L CB 1.476 43.764 42.059 0.382 0.000 1.227 696 L HN 0.323 nan 8.230 nan 0.000 0.417 697 T N 5.311 120.087 114.554 0.370 0.000 2.833 697 T HA 0.545 4.903 4.350 0.014 0.000 0.297 697 T C -0.468 174.399 174.700 0.277 0.000 1.015 697 T CA -0.437 61.835 62.100 0.287 0.000 0.963 697 T CB 1.083 70.058 68.868 0.179 0.000 0.955 697 T HN 0.554 nan 8.240 nan 0.000 0.449 698 V N 2.297 122.370 119.914 0.265 0.000 2.612 698 V HA 0.779 4.908 4.120 0.014 0.000 0.301 698 V C -0.304 175.883 176.094 0.155 0.000 1.046 698 V CA -1.043 61.387 62.300 0.217 0.000 0.946 698 V CB 1.369 33.294 31.823 0.171 0.000 1.003 698 V HN 0.763 nan 8.190 nan 0.000 0.459 699 R N 2.453 123.074 120.500 0.201 0.000 2.628 699 R HA 0.733 5.081 4.340 0.014 0.000 0.288 699 R C -1.609 174.815 176.300 0.207 0.000 0.980 699 R CA -0.785 55.456 56.100 0.234 0.000 0.891 699 R CB 2.642 33.081 30.300 0.233 0.000 1.188 699 R HN 0.676 nan 8.270 nan 0.000 0.450 700 V N 3.764 123.811 119.914 0.223 0.000 2.364 700 V HA 0.309 4.437 4.120 0.014 0.000 0.272 700 V C -0.208 175.962 176.094 0.126 0.000 1.036 700 V CA -0.565 61.811 62.300 0.126 0.000 0.880 700 V CB 1.491 33.359 31.823 0.076 0.000 0.991 700 V HN 0.438 nan 8.190 nan 0.000 0.460 701 V N 5.285 125.234 119.914 0.058 0.000 2.513 701 V HA 0.382 4.510 4.120 0.014 0.000 0.299 701 V C -0.092 176.041 176.094 0.066 0.000 1.035 701 V CA -0.717 61.633 62.300 0.083 0.000 0.889 701 V CB 2.005 33.900 31.823 0.120 0.000 0.988 701 V HN 0.876 nan 8.190 nan 0.000 0.440 702 Q N 5.400 125.269 119.800 0.115 0.000 2.406 702 Q HA 0.240 4.589 4.340 0.014 0.000 0.242 702 Q C -1.789 174.244 176.000 0.055 0.000 1.036 702 Q CA -1.698 54.161 55.803 0.094 0.000 0.904 702 Q CB 1.622 30.436 28.738 0.126 0.000 1.244 702 Q HN 0.483 nan 8.270 nan 0.000 0.478 703 P HA -0.183 nan 4.420 nan 0.000 0.215 703 P C -0.580 176.726 177.300 0.009 0.000 1.153 703 P CA 1.248 64.364 63.100 0.025 0.000 0.853 703 P CB 0.366 32.076 31.700 0.017 0.000 0.788 704 N N -0.738 117.956 118.700 -0.009 0.000 2.473 704 N HA 0.445 5.193 4.740 0.014 0.000 0.291 704 N C -0.415 175.048 175.510 -0.078 0.000 1.083 704 N CA -0.612 52.419 53.050 -0.032 0.000 0.951 704 N CB 0.750 39.220 38.487 -0.029 0.000 1.164 704 N HN -0.048 nan 8.380 nan 0.000 0.480 705 A N 0.839 123.609 122.820 -0.083 0.000 2.425 705 A HA 0.434 4.762 4.320 0.014 0.000 0.242 705 A C 0.646 178.118 177.584 -0.187 0.000 1.077 705 A CA -0.001 51.955 52.037 -0.135 0.000 0.781 705 A CB -0.108 18.840 19.000 -0.086 0.000 1.020 705 A HN 0.722 nan 8.150 nan 0.000 0.494 706 T N -2.574 111.792 114.554 -0.313 0.000 2.773 706 T HA 0.638 4.997 4.350 0.014 0.000 0.278 706 T C 1.019 175.583 174.700 -0.227 0.000 1.011 706 T CA 0.039 61.932 62.100 -0.345 0.000 1.014 706 T CB 1.122 69.547 68.868 -0.738 0.000 1.293 706 T HN 1.317 nan 8.240 nan 0.000 0.554 707 A N -0.134 122.637 122.820 -0.082 0.000 2.067 707 A HA 0.111 4.440 4.320 0.014 0.000 0.219 707 A C 1.727 179.494 177.584 0.305 0.000 1.158 707 A CA 1.119 53.222 52.037 0.110 0.000 0.661 707 A CB -0.875 18.195 19.000 0.117 0.000 0.801 707 A HN 0.922 nan 8.150 nan 0.000 0.452 708 W N -0.793 120.595 121.300 0.147 0.000 2.870 708 W HA 0.400 5.069 4.660 0.015 0.000 0.358 708 W C -0.132 176.374 176.519 -0.022 0.000 1.043 708 W CA 0.548 57.947 57.345 0.089 0.000 1.692 708 W CB -0.861 28.643 29.460 0.073 0.000 1.100 708 W HN 0.425 nan 8.180 nan 0.000 0.557 709 S N 0.082 115.440 115.700 -0.570 0.000 2.556 709 S HA 0.438 4.916 4.470 0.014 0.000 0.271 709 S C -0.963 173.428 174.600 -0.348 0.000 1.135 709 S CA -0.713 57.146 58.200 -0.568 0.000 0.858 709 S CB 2.752 65.242 63.200 -1.183 0.000 1.114 709 S HN 0.115 nan 8.310 nan 0.000 0.468 710 E N 0.687 120.785 120.200 -0.170 0.000 2.349 710 E HA 0.561 4.919 4.350 0.014 0.000 0.262 710 E C 0.298 176.869 176.600 -0.048 0.000 1.088 710 E CA -0.726 55.630 56.400 -0.072 0.000 0.899 710 E CB 1.074 30.775 29.700 0.002 0.000 1.044 710 E HN 0.874 nan 8.360 nan 0.000 0.420 711 A N 0.781 123.584 122.820 -0.028 0.000 2.540 711 A HA 0.364 4.693 4.320 0.014 0.000 0.239 711 A C 1.138 178.745 177.584 0.039 0.000 1.061 711 A CA 0.789 52.824 52.037 -0.004 0.000 0.758 711 A CB -0.492 18.506 19.000 -0.003 0.000 0.991 711 A HN 0.814 nan 8.150 nan 0.000 0.502 712 G N 0.789 109.625 108.800 0.060 0.000 2.176 712 G HA2 -0.259 3.709 3.960 0.014 0.000 0.253 712 G HA3 -0.259 3.709 3.960 0.014 0.000 0.253 712 G C 0.251 175.218 174.900 0.113 0.000 0.979 712 G CA 0.714 45.865 45.100 0.084 0.000 0.641 712 G HN 1.813 nan 8.290 nan 0.000 0.530 713 H N 0.432 119.522 119.070 0.033 0.000 3.064 713 H HA 0.377 4.941 4.556 0.014 0.000 0.329 713 H C 0.693 176.101 175.328 0.134 0.000 1.020 713 H CA 0.586 56.676 56.048 0.069 0.000 1.402 713 H CB 0.175 29.951 29.762 0.023 0.000 1.379 713 H HN 0.311 nan 8.280 nan 0.000 0.594 714 I N 4.587 124.883 120.570 -0.456 0.000 2.315 714 I HA 0.055 4.233 4.170 0.014 0.000 0.291 714 I C 0.898 176.845 176.117 -0.283 0.000 1.006 714 I CA 0.169 61.348 61.300 -0.202 0.000 1.265 714 I CB 1.565 39.546 38.000 -0.032 0.000 1.387 714 I HN 0.809 nan 8.210 nan 0.000 0.475 715 S N 4.128 119.899 115.700 0.118 0.000 2.524 715 S HA 0.551 5.029 4.470 0.014 0.000 0.222 715 S C 0.433 175.266 174.600 0.388 0.000 1.040 715 S CA 0.013 58.424 58.200 0.352 0.000 0.915 715 S CB 0.646 64.165 63.200 0.531 0.000 0.831 715 S HN 0.660 nan 8.310 nan 0.000 0.492 716 A N 0.654 123.717 122.820 0.404 0.000 2.574 716 A HA 0.683 5.012 4.320 0.014 0.000 0.297 716 A C -1.598 176.269 177.584 0.472 0.000 1.062 716 A CA -0.921 51.328 52.037 0.353 0.000 0.686 716 A CB 0.701 19.985 19.000 0.472 0.000 1.285 716 A HN 0.864 nan 8.150 nan 0.000 0.403 717 W N 0.442 121.881 121.300 0.232 0.000 3.075 717 W HA 0.831 5.500 4.660 0.015 0.000 0.334 717 W C -1.141 175.393 176.519 0.025 0.000 1.243 717 W CA -0.731 56.657 57.345 0.071 0.000 1.170 717 W CB 1.350 30.841 29.460 0.053 0.000 1.452 717 W HN 0.869 nan 8.180 nan 0.000 0.572 718 Q N 1.157 120.973 119.800 0.027 0.000 2.479 718 Q HA 0.399 4.747 4.340 0.014 0.000 0.276 718 Q C -1.645 174.198 176.000 -0.262 0.000 0.989 718 Q CA -0.469 55.193 55.803 -0.235 0.000 0.864 718 Q CB 2.509 30.870 28.738 -0.627 0.000 1.444 718 Q HN 0.632 nan 8.270 nan 0.000 0.388 719 Q N 1.581 121.166 119.800 -0.358 0.000 2.394 719 Q HA 0.615 4.963 4.340 0.014 0.000 0.273 719 Q C -1.235 174.601 176.000 -0.274 0.000 1.089 719 Q CA -0.656 55.103 55.803 -0.074 0.000 0.812 719 Q CB 2.069 30.928 28.738 0.200 0.000 1.353 719 Q HN 0.587 nan 8.270 nan 0.000 0.438 720 W N 1.262 122.724 121.300 0.269 0.000 3.033 720 W HA 0.447 5.114 4.660 0.013 0.000 0.336 720 W C -0.425 176.040 176.519 -0.090 0.000 1.173 720 W CA -0.663 56.746 57.345 0.106 0.000 1.185 720 W CB 1.716 31.206 29.460 0.049 0.000 1.425 720 W HN 0.440 nan 8.180 nan 0.000 0.536 721 R N 1.868 122.267 120.500 -0.168 0.000 2.298 721 R HA 0.444 4.792 4.340 0.014 0.000 0.310 721 R C 0.382 176.537 176.300 -0.241 0.000 1.068 721 R CA -0.226 55.506 56.100 -0.612 0.000 0.957 721 R CB 0.968 30.858 30.300 -0.683 0.000 1.003 721 R HN 0.263 nan 8.270 nan 0.000 0.454 722 L N 1.453 122.533 121.223 -0.240 0.000 2.970 722 L HA 0.515 4.864 4.340 0.014 0.000 0.214 722 L C 0.699 177.482 176.870 -0.146 0.000 1.317 722 L CA -1.076 53.689 54.840 -0.124 0.000 1.187 722 L CB 0.124 42.152 42.059 -0.051 0.000 2.155 722 L HN 0.603 nan 8.230 nan 0.000 0.554 723 A N 0.349 123.115 122.820 -0.091 0.000 2.520 723 A HA 0.108 4.436 4.320 0.014 0.000 0.235 723 A C -0.190 177.343 177.584 -0.085 0.000 1.065 723 A CA 0.317 52.309 52.037 -0.076 0.000 0.764 723 A CB -0.044 18.929 19.000 -0.045 0.000 1.002 723 A HN 0.650 nan 8.150 nan 0.000 0.502 724 E N 1.102 121.259 120.200 -0.073 0.000 2.210 724 E HA 0.315 4.673 4.350 0.014 0.000 0.266 724 E C -1.354 175.230 176.600 -0.026 0.000 0.883 724 E CA -0.755 55.610 56.400 -0.059 0.000 0.761 724 E CB 0.834 30.486 29.700 -0.078 0.000 1.156 724 E HN 0.689 nan 8.360 nan 0.000 0.412 725 N N 4.528 123.224 118.700 -0.008 0.000 2.476 725 N HA 0.289 5.037 4.740 0.014 0.000 0.257 725 N C -0.608 174.910 175.510 0.014 0.000 0.970 725 N CA -0.334 52.718 53.050 0.004 0.000 0.938 725 N CB 1.143 39.637 38.487 0.011 0.000 1.144 725 N HN 0.456 nan 8.380 nan 0.000 0.500 726 L N 0.604 121.834 121.223 0.013 0.000 2.439 726 L HA 0.174 4.523 4.340 0.014 0.000 0.269 726 L C 1.223 178.109 176.870 0.026 0.000 1.179 726 L CA -0.121 54.732 54.840 0.022 0.000 0.828 726 L CB 0.643 42.714 42.059 0.019 0.000 1.106 726 L HN 0.383 nan 8.230 nan 0.000 0.467 727 S N 1.154 116.875 115.700 0.035 0.000 2.505 727 S HA 0.249 4.727 4.470 0.014 0.000 0.276 727 S C 0.627 175.245 174.600 0.031 0.000 1.274 727 S CA -0.730 57.491 58.200 0.035 0.000 1.053 727 S CB 0.828 64.055 63.200 0.044 0.000 0.919 727 S HN 0.465 nan 8.310 nan 0.000 0.490 728 V N 2.229 122.158 119.914 0.026 0.000 3.604 728 V HA 0.314 4.442 4.120 0.014 0.000 0.277 728 V C 0.805 176.911 176.094 0.021 0.000 1.399 728 V CA 0.347 62.661 62.300 0.022 0.000 1.034 728 V CB -0.669 31.164 31.823 0.018 0.000 0.824 728 V HN 0.851 nan 8.190 nan 0.000 0.439 729 T N 1.124 115.691 114.554 0.022 0.000 2.832 729 T HA 0.664 5.023 4.350 0.014 0.000 0.296 729 T C -0.364 174.349 174.700 0.021 0.000 0.968 729 T CA -0.304 61.808 62.100 0.020 0.000 1.107 729 T CB 1.349 70.229 68.868 0.020 0.000 0.916 729 T HN 0.197 nan 8.240 nan 0.000 0.517 730 L N 4.103 125.337 121.223 0.018 0.000 2.418 730 L HA 0.463 4.811 4.340 0.014 0.000 0.265 730 L C -1.549 175.330 176.870 0.015 0.000 1.143 730 L CA -1.686 53.164 54.840 0.017 0.000 0.809 730 L CB -0.563 41.504 42.059 0.012 0.000 1.124 730 L HN 0.586 nan 8.230 nan 0.000 0.456 731 P HA 0.184 nan 4.420 nan 0.000 0.270 731 P C -0.940 176.359 177.300 -0.002 0.000 1.223 731 P CA -0.557 62.550 63.100 0.012 0.000 0.785 731 P CB 0.378 32.087 31.700 0.015 0.000 0.923 732 A N 1.715 124.531 122.820 -0.006 0.000 2.545 732 A HA 0.378 4.706 4.320 0.014 0.000 0.253 732 A C 0.675 178.224 177.584 -0.058 0.000 1.074 732 A CA 0.093 52.116 52.037 -0.023 0.000 0.760 732 A CB -0.838 18.152 19.000 -0.018 0.000 1.005 732 A HN 0.626 nan 8.150 nan 0.000 0.506 733 A N 4.296 127.080 122.820 -0.060 0.000 2.473 733 A HA 0.472 4.800 4.320 0.014 0.000 0.282 733 A C 1.092 178.569 177.584 -0.179 0.000 1.163 733 A CA 0.331 52.320 52.037 -0.080 0.000 0.827 733 A CB -0.731 18.242 19.000 -0.044 0.000 1.098 733 A HN 1.728 nan 8.150 nan 0.000 0.515 734 S N 2.359 117.935 115.700 -0.206 0.000 2.608 734 S HA 0.252 4.730 4.470 0.014 0.000 0.261 734 S C 0.663 175.058 174.600 -0.341 0.000 1.314 734 S CA 0.470 58.441 58.200 -0.381 0.000 0.992 734 S CB 0.189 63.276 63.200 -0.187 0.000 0.935 734 S HN 0.744 nan 8.310 nan 0.000 0.564 735 H N 0.731 119.818 119.070 0.029 0.000 2.406 735 H HA 0.500 5.064 4.556 0.014 0.000 0.304 735 H C 1.191 176.541 175.328 0.036 0.000 1.042 735 H CA 0.429 56.494 56.048 0.028 0.000 1.360 735 H CB -0.663 29.115 29.762 0.026 0.000 1.448 735 H HN 0.809 nan 8.280 nan 0.000 0.553 736 A N 1.317 124.237 122.820 0.167 0.000 2.327 736 A HA 0.452 4.780 4.320 0.014 0.000 0.255 736 A C -0.356 177.288 177.584 0.101 0.000 1.099 736 A CA -0.179 51.939 52.037 0.135 0.000 0.801 736 A CB 0.012 19.094 19.000 0.138 0.000 1.062 736 A HN 0.329 nan 8.150 nan 0.000 0.496 737 I N 0.290 120.939 120.570 0.132 0.000 2.534 737 I HA 0.513 4.691 4.170 0.014 0.000 0.288 737 I C -2.643 173.580 176.117 0.176 0.000 1.077 737 I CA -2.257 59.104 61.300 0.102 0.000 1.051 737 I CB 2.317 40.349 38.000 0.053 0.000 1.234 737 I HN 0.322 nan 8.210 nan 0.000 0.425 738 P HA 0.272 nan 4.420 nan 0.000 0.271 738 P C -1.539 175.818 177.300 0.095 0.000 1.216 738 P CA 0.136 63.318 63.100 0.137 0.000 0.771 738 P CB 0.262 31.978 31.700 0.025 0.000 0.864 739 H N 1.316 120.419 119.070 0.056 0.000 2.476 739 H HA 0.452 5.016 4.556 0.014 0.000 0.328 739 H C -0.370 174.990 175.328 0.054 0.000 1.073 739 H CA -0.642 55.432 56.048 0.043 0.000 1.229 739 H CB 0.800 30.587 29.762 0.042 0.000 1.432 739 H HN 0.255 nan 8.280 nan 0.000 0.477 740 L N 2.948 124.216 121.223 0.076 0.000 2.312 740 L HA 0.433 4.781 4.340 0.014 0.000 0.281 740 L C -0.390 176.539 176.870 0.098 0.000 1.070 740 L CA 0.073 54.951 54.840 0.064 0.000 0.805 740 L CB 1.132 43.171 42.059 -0.034 0.000 1.174 740 L HN 0.610 nan 8.230 nan 0.000 0.434 741 T N 3.480 118.115 114.554 0.135 0.000 2.809 741 T HA 0.410 4.768 4.350 0.014 0.000 0.296 741 T C -0.247 174.570 174.700 0.196 0.000 1.015 741 T CA -0.409 61.773 62.100 0.137 0.000 0.954 741 T CB 0.739 69.677 68.868 0.117 0.000 0.950 741 T HN 0.681 nan 8.240 nan 0.000 0.450 742 T N 2.761 117.428 114.554 0.187 0.000 2.882 742 T HA 0.653 5.011 4.350 0.014 0.000 0.287 742 T C 0.060 174.850 174.700 0.151 0.000 0.992 742 T CA -0.573 61.689 62.100 0.270 0.000 1.076 742 T CB 1.327 70.346 68.868 0.252 0.000 0.961 742 T HN 0.553 nan 8.240 nan 0.000 0.490 743 S N 0.532 116.290 115.700 0.097 0.000 2.579 743 S HA 0.341 4.819 4.470 0.014 0.000 0.272 743 S C 0.934 175.498 174.600 -0.061 0.000 1.141 743 S CA -0.627 57.584 58.200 0.018 0.000 0.843 743 S CB 1.800 65.011 63.200 0.019 0.000 1.122 743 S HN 0.791 nan 8.310 nan 0.000 0.468 744 E N 1.821 121.992 120.200 -0.047 0.000 2.114 744 E HA -0.200 4.158 4.350 0.014 0.000 0.199 744 E C 1.540 178.069 176.600 -0.119 0.000 1.008 744 E CA 2.387 58.744 56.400 -0.072 0.000 0.810 744 E CB -0.218 29.459 29.700 -0.038 0.000 0.739 744 E HN 0.598 nan 8.360 nan 0.000 0.456 745 M N 0.146 119.691 119.600 -0.091 0.000 2.466 745 M HA 0.196 4.684 4.480 0.014 0.000 0.265 745 M C -0.651 175.579 176.300 -0.117 0.000 1.122 745 M CA 0.762 56.011 55.300 -0.084 0.000 1.157 745 M CB 0.740 33.322 32.600 -0.030 0.000 1.352 745 M HN -0.073 nan 8.290 nan 0.000 0.464 746 D N -0.915 119.413 120.400 -0.120 0.000 2.756 746 D HA 0.253 4.901 4.640 0.014 0.000 0.226 746 D C -1.497 174.777 176.300 -0.043 0.000 1.186 746 D CA -0.344 53.619 54.000 -0.061 0.000 0.845 746 D CB 1.701 42.540 40.800 0.064 0.000 1.610 746 D HN -0.116 nan 8.370 nan 0.000 0.465 747 F N 1.150 121.188 119.950 0.147 0.000 2.415 747 F HA 0.345 4.880 4.527 0.014 0.000 0.348 747 F C 0.340 176.281 175.800 0.235 0.000 1.119 747 F CA -0.854 57.233 58.000 0.145 0.000 1.069 747 F CB 1.012 40.064 39.000 0.086 0.000 1.124 747 F HN 0.162 nan 8.300 nan 0.000 0.472 748 C N 4.637 124.173 119.300 0.393 0.000 2.561 748 C HA 0.805 5.274 4.460 0.014 0.000 0.319 748 C C -0.265 174.902 174.990 0.295 0.000 1.198 748 C CA -0.897 58.322 59.018 0.334 0.000 1.665 748 C CB 1.324 29.203 27.740 0.231 0.000 2.258 748 C HN 0.590 nan 8.230 nan 0.000 0.493 749 I N 1.917 122.703 120.570 0.360 0.000 2.582 749 I HA 0.436 4.614 4.170 0.014 0.000 0.292 749 I C -0.239 176.131 176.117 0.422 0.000 1.066 749 I CA -0.059 61.445 61.300 0.340 0.000 1.053 749 I CB 1.532 39.703 38.000 0.283 0.000 1.241 749 I HN 0.588 nan 8.210 nan 0.000 0.421 750 E N 5.375 125.767 120.200 0.320 0.000 2.222 750 E HA 0.717 5.076 4.350 0.014 0.000 0.267 750 E C -1.584 175.193 176.600 0.294 0.000 0.884 750 E CA -0.930 55.636 56.400 0.276 0.000 0.764 750 E CB 3.007 32.787 29.700 0.134 0.000 1.169 750 E HN 0.344 nan 8.360 nan 0.000 0.413 751 L N 2.609 124.016 121.223 0.306 0.000 2.580 751 L HA 0.459 4.807 4.340 0.014 0.000 0.266 751 L C 0.183 177.147 176.870 0.157 0.000 0.955 751 L CA 0.386 55.375 54.840 0.247 0.000 0.886 751 L CB 1.378 43.632 42.059 0.325 0.000 1.263 751 L HN 0.759 nan 8.230 nan 0.000 0.406 752 G N 4.331 113.184 108.800 0.089 0.000 2.591 752 G HA2 -0.416 3.553 3.960 0.014 0.000 0.298 752 G HA3 -0.416 3.553 3.960 0.014 0.000 0.298 752 G C 0.508 175.415 174.900 0.011 0.000 1.195 752 G CA 0.625 45.751 45.100 0.043 0.000 0.989 752 G HN 1.229 nan 8.290 nan 0.000 0.551 753 N N 1.171 119.865 118.700 -0.010 0.000 2.280 753 N HA 0.106 4.854 4.740 0.014 0.000 0.192 753 N C 0.403 175.869 175.510 -0.073 0.000 1.109 753 N CA 0.618 53.645 53.050 -0.039 0.000 0.855 753 N CB 0.225 38.689 38.487 -0.040 0.000 0.974 753 N HN 0.733 nan 8.380 nan 0.000 0.482 754 K N 0.787 121.129 120.400 -0.097 0.000 2.249 754 K HA 0.308 4.636 4.320 0.014 0.000 0.280 754 K C -0.295 176.091 176.600 -0.358 0.000 1.033 754 K CA -0.357 55.749 56.287 -0.302 0.000 0.946 754 K CB 1.483 33.776 32.500 -0.344 0.000 1.005 754 K HN 0.079 nan 8.250 nan 0.000 0.469 755 R N 2.513 122.688 120.500 -0.542 0.000 2.626 755 R HA 0.339 4.688 4.340 0.014 0.000 0.274 755 R C -1.704 174.427 176.300 -0.280 0.000 1.031 755 R CA -0.612 55.383 56.100 -0.175 0.000 0.898 755 R CB 1.313 31.652 30.300 0.065 0.000 1.222 755 R HN 0.617 nan 8.270 nan 0.000 0.455 756 W N 3.450 124.838 121.300 0.148 0.000 2.739 756 W HA 0.346 5.015 4.660 0.014 0.000 0.331 756 W C -0.714 175.854 176.519 0.081 0.000 1.049 756 W CA -0.691 56.666 57.345 0.020 0.000 1.234 756 W CB 2.216 31.673 29.460 -0.005 0.000 1.404 756 W HN 0.459 nan 8.180 nan 0.000 0.477 757 Q N 2.600 122.474 119.800 0.123 0.000 2.331 757 Q HA 0.431 4.780 4.340 0.014 0.000 0.267 757 Q C -1.833 174.094 176.000 -0.122 0.000 1.006 757 Q CA -0.518 55.373 55.803 0.147 0.000 0.818 757 Q CB 1.423 30.332 28.738 0.285 0.000 1.276 757 Q HN 0.384 nan 8.270 nan 0.000 0.450 758 F N 3.049 123.084 119.950 0.142 0.000 2.402 758 F HA 0.293 4.829 4.527 0.014 0.000 0.355 758 F C 0.512 176.340 175.800 0.045 0.000 1.123 758 F CA -0.818 57.231 58.000 0.082 0.000 1.021 758 F CB 1.268 40.329 39.000 0.102 0.000 1.160 758 F HN 0.470 nan 8.300 nan 0.000 0.451 759 N N 4.038 122.842 118.700 0.174 0.000 2.420 759 N HA 0.090 4.838 4.740 0.014 0.000 0.262 759 N C 0.809 176.333 175.510 0.023 0.000 1.144 759 N CA -0.023 53.077 53.050 0.083 0.000 0.952 759 N CB 0.692 39.235 38.487 0.094 0.000 1.081 759 N HN 0.711 nan 8.380 nan 0.000 0.480 760 R N 1.829 122.271 120.500 -0.098 0.000 2.307 760 R HA -0.032 4.316 4.340 0.014 0.000 0.199 760 R C 1.602 177.827 176.300 -0.125 0.000 1.000 760 R CA 0.462 56.447 56.100 -0.192 0.000 1.023 760 R CB 0.270 30.323 30.300 -0.411 0.000 0.908 760 R HN 0.657 nan 8.270 nan 0.000 0.473 761 Q N 0.281 120.040 119.800 -0.069 0.000 2.226 761 Q HA -0.051 4.298 4.340 0.014 0.000 0.199 761 Q C 1.852 177.832 176.000 -0.034 0.000 0.945 761 Q CA 1.640 57.415 55.803 -0.048 0.000 0.861 761 Q CB 0.330 29.056 28.738 -0.019 0.000 0.953 761 Q HN 0.319 nan 8.270 nan 0.000 0.490 762 S N -1.476 114.229 115.700 0.008 0.000 2.425 762 S HA 0.128 4.606 4.470 0.014 0.000 0.225 762 S C 1.417 175.920 174.600 -0.162 0.000 1.024 762 S CA 0.944 59.162 58.200 0.030 0.000 0.951 762 S CB 0.189 63.529 63.200 0.233 0.000 0.796 762 S HN 0.571 nan 8.310 nan 0.000 0.498 763 G N 0.459 109.196 108.800 -0.104 0.000 2.136 763 G HA2 -0.197 3.771 3.960 0.014 0.000 0.242 763 G HA3 -0.197 3.771 3.960 0.014 0.000 0.242 763 G C -0.213 174.655 174.900 -0.054 0.000 0.989 763 G CA 0.242 45.285 45.100 -0.095 0.000 0.682 763 G HN 0.465 nan 8.290 nan 0.000 0.522 764 F N -1.132 118.993 119.950 0.293 0.000 2.556 764 F HA 0.696 5.231 4.527 0.014 0.000 0.327 764 F C 0.421 176.273 175.800 0.087 0.000 1.059 764 F CA -1.851 56.278 58.000 0.215 0.000 0.953 764 F CB 1.396 40.472 39.000 0.127 0.000 1.227 764 F HN -0.010 nan 8.300 nan 0.000 0.478 765 L N 2.184 123.492 121.223 0.142 0.000 2.515 765 L HA 0.175 4.523 4.340 0.014 0.000 0.281 765 L C 1.083 177.853 176.870 -0.167 0.000 1.131 765 L CA 0.469 55.080 54.840 -0.381 0.000 0.905 765 L CB -0.175 41.579 42.059 -0.508 0.000 1.246 765 L HN 0.716 nan 8.230 nan 0.000 0.463 766 S N 2.548 118.158 115.700 -0.150 0.000 2.470 766 S HA 0.181 4.659 4.470 0.014 0.000 0.222 766 S C 0.684 175.158 174.600 -0.211 0.000 1.024 766 S CA -0.053 58.091 58.200 -0.093 0.000 0.931 766 S CB 0.103 63.300 63.200 -0.005 0.000 0.791 766 S HN 0.641 nan 8.310 nan 0.000 0.513 767 Q N -0.220 119.388 119.800 -0.320 0.000 2.482 767 Q HA 0.701 5.049 4.340 0.014 0.000 0.286 767 Q C -1.797 173.828 176.000 -0.627 0.000 1.007 767 Q CA -0.380 55.083 55.803 -0.567 0.000 0.801 767 Q CB 2.042 30.273 28.738 -0.844 0.000 1.455 767 Q HN 0.432 nan 8.270 nan 0.000 0.398 768 M N 1.734 120.862 119.600 -0.787 0.000 2.386 768 M HA 0.584 5.072 4.480 0.014 0.000 0.293 768 M C -1.783 174.092 176.300 -0.708 0.000 1.120 768 M CA -0.375 54.526 55.300 -0.664 0.000 0.909 768 M CB 1.664 33.889 32.600 -0.626 0.000 1.661 768 M HN 0.571 nan 8.290 nan 0.000 0.452 769 W N 4.801 125.870 121.300 -0.386 0.000 2.736 769 W HA 0.594 5.262 4.660 0.014 0.000 0.335 769 W C -1.331 174.991 176.519 -0.329 0.000 1.059 769 W CA -0.642 56.534 57.345 -0.282 0.000 1.226 769 W CB 1.629 30.964 29.460 -0.207 0.000 1.416 769 W HN 0.475 nan 8.180 nan 0.000 0.505 770 I N 3.126 123.690 120.570 -0.011 0.000 2.420 770 I HA 0.415 4.594 4.170 0.014 0.000 0.282 770 I C 0.807 176.921 176.117 -0.005 0.000 1.019 770 I CA 0.002 61.264 61.300 -0.065 0.000 1.130 770 I CB 1.028 38.962 38.000 -0.109 0.000 1.262 770 I HN 0.676 nan 8.210 nan 0.000 0.454 771 G N 5.641 114.433 108.800 -0.013 0.000 2.574 771 G HA2 -0.344 3.624 3.960 0.014 0.000 0.286 771 G HA3 -0.344 3.624 3.960 0.014 0.000 0.286 771 G C 0.660 175.571 174.900 0.019 0.000 1.212 771 G CA 0.596 45.688 45.100 -0.014 0.000 0.979 771 G HN 0.771 nan 8.290 nan 0.000 0.557 772 D N 0.800 121.211 120.400 0.019 0.000 2.277 772 D HA 0.067 4.716 4.640 0.014 0.000 0.208 772 D C 1.211 177.614 176.300 0.171 0.000 0.962 772 D CA 1.319 55.346 54.000 0.046 0.000 0.865 772 D CB -0.056 40.750 40.800 0.009 0.000 0.939 772 D HN 0.528 nan 8.370 nan 0.000 0.510 773 K N 2.136 122.611 120.400 0.125 0.000 2.339 773 K HA 0.082 4.411 4.320 0.014 0.000 0.286 773 K C 0.023 176.675 176.600 0.088 0.000 1.050 773 K CA -0.487 55.853 56.287 0.089 0.000 0.956 773 K CB 0.646 33.153 32.500 0.011 0.000 0.990 773 K HN 0.174 nan 8.250 nan 0.000 0.475 774 K N 3.405 123.788 120.400 -0.029 0.000 2.118 774 K HA 0.161 4.490 4.320 0.014 0.000 0.264 774 K C 0.039 176.471 176.600 -0.280 0.000 1.000 774 K CA -0.609 55.446 56.287 -0.386 0.000 0.929 774 K CB 1.218 33.447 32.500 -0.450 0.000 1.021 774 K HN 0.416 nan 8.250 nan 0.000 0.463 775 Q N 1.132 120.716 119.800 -0.361 0.000 2.392 775 Q HA 0.239 4.587 4.340 0.014 0.000 0.219 775 Q C 0.138 176.048 176.000 -0.150 0.000 0.895 775 Q CA 0.486 56.191 55.803 -0.163 0.000 0.929 775 Q CB 0.353 29.029 28.738 -0.104 0.000 1.077 775 Q HN 0.607 nan 8.270 nan 0.000 0.532 776 L N 0.685 121.749 121.223 -0.266 0.000 2.346 776 L HA 0.378 4.726 4.340 0.014 0.000 0.274 776 L C 0.880 177.612 176.870 -0.231 0.000 1.007 776 L CA -0.331 54.372 54.840 -0.228 0.000 0.818 776 L CB 1.648 43.564 42.059 -0.239 0.000 1.284 776 L HN -0.081 nan 8.230 nan 0.000 0.424 777 L N 0.365 121.451 121.223 -0.228 0.000 2.575 777 L HA 0.252 4.600 4.340 0.014 0.000 0.228 777 L C 0.092 176.850 176.870 -0.188 0.000 1.075 777 L CA 0.557 55.277 54.840 -0.201 0.000 0.867 777 L CB 0.586 42.519 42.059 -0.210 0.000 1.097 777 L HN 0.597 nan 8.230 nan 0.000 0.485 778 T N 0.231 114.641 114.554 -0.239 0.000 2.886 778 T HA 0.399 4.758 4.350 0.014 0.000 0.292 778 T C -2.574 172.044 174.700 -0.137 0.000 1.012 778 T CA -1.229 60.773 62.100 -0.163 0.000 0.982 778 T CB 2.401 71.154 68.868 -0.190 0.000 1.018 778 T HN -0.285 nan 8.240 nan 0.000 0.451 779 P HA 0.123 nan 4.420 nan 0.000 0.268 779 P C -0.537 176.716 177.300 -0.079 0.000 1.208 779 P CA -0.678 62.382 63.100 -0.066 0.000 0.777 779 P CB 0.422 32.118 31.700 -0.006 0.000 0.875 780 L N 3.900 125.104 121.223 -0.032 0.000 2.385 780 L HA 0.185 4.533 4.340 0.014 0.000 0.281 780 L C 0.278 177.073 176.870 -0.124 0.000 1.106 780 L CA 0.741 55.588 54.840 0.011 0.000 0.856 780 L CB -0.536 41.625 42.059 0.171 0.000 1.186 780 L HN 0.296 nan 8.230 nan 0.000 0.453 781 R N 2.838 123.172 120.500 -0.277 0.000 2.892 781 R HA 0.475 4.824 4.340 0.014 0.000 0.265 781 R C -0.982 175.139 176.300 -0.297 0.000 1.025 781 R CA -1.077 54.650 56.100 -0.623 0.000 0.982 781 R CB 1.092 30.954 30.300 -0.731 0.000 1.185 781 R HN 0.532 nan 8.270 nan 0.000 0.484 782 D N 1.178 121.440 120.400 -0.229 0.000 2.389 782 D HA 0.058 4.706 4.640 0.014 0.000 0.247 782 D C -0.537 175.321 176.300 -0.737 0.000 1.128 782 D CA 0.290 54.010 54.000 -0.466 0.000 0.884 782 D CB 0.847 41.286 40.800 -0.600 0.000 1.194 782 D HN 0.166 nan 8.370 nan 0.000 0.441 783 Q N 1.715 120.958 119.800 -0.928 0.000 2.330 783 Q HA 0.354 4.702 4.340 0.014 0.000 0.269 783 Q C -1.025 174.278 176.000 -1.162 0.000 1.022 783 Q CA -0.605 54.699 55.803 -0.831 0.000 0.796 783 Q CB 0.786 29.244 28.738 -0.466 0.000 1.271 783 Q HN 0.517 nan 8.270 nan 0.000 0.450 784 F N 0.340 119.885 119.950 -0.675 0.000 2.746 784 F HA 0.176 4.711 4.527 0.014 0.000 0.320 784 F C 0.573 175.916 175.800 -0.762 0.000 1.097 784 F CA -0.192 57.289 58.000 -0.866 0.000 1.195 784 F CB 1.279 39.385 39.000 -1.491 0.000 1.056 784 F HN 0.396 nan 8.300 nan 0.000 0.562 785 T N -0.620 113.623 114.554 -0.518 0.000 2.924 785 T HA 0.757 5.115 4.350 0.014 0.000 0.291 785 T C -0.466 173.988 174.700 -0.410 0.000 1.045 785 T CA -0.935 60.799 62.100 -0.609 0.000 1.015 785 T CB 2.727 71.171 68.868 -0.707 0.000 1.103 785 T HN 0.257 nan 8.240 nan 0.000 0.496 786 R N 0.322 120.614 120.500 -0.347 0.000 2.807 786 R HA 0.768 5.116 4.340 0.014 0.000 0.276 786 R C -0.609 175.720 176.300 0.048 0.000 0.979 786 R CA -1.180 54.836 56.100 -0.140 0.000 0.928 786 R CB 1.526 31.735 30.300 -0.152 0.000 1.191 786 R HN 0.799 nan 8.270 nan 0.000 0.471 787 A N 3.877 126.711 122.820 0.024 0.000 2.505 787 A HA 0.234 4.563 4.320 0.014 0.000 0.271 787 A C -1.944 175.672 177.584 0.054 0.000 1.112 787 A CA -1.185 50.864 52.037 0.020 0.000 0.781 787 A CB -0.524 18.439 19.000 -0.062 0.000 1.059 787 A HN 0.576 nan 8.150 nan 0.000 0.508 788 P HA 0.107 nan 4.420 nan 0.000 0.263 788 P C -0.207 177.174 177.300 0.134 0.000 1.195 788 P CA 0.369 63.596 63.100 0.212 0.000 0.762 788 P CB 0.405 32.260 31.700 0.257 0.000 0.799 789 L N 2.726 124.001 121.223 0.087 0.000 2.472 789 L HA 0.109 4.457 4.340 0.014 0.000 0.260 789 L C 1.908 178.790 176.870 0.020 0.000 1.209 789 L CA -0.360 54.473 54.840 -0.012 0.000 0.817 789 L CB -0.125 41.865 42.059 -0.114 0.000 1.106 789 L HN 0.290 nan 8.230 nan 0.000 0.479 790 D N 0.383 120.750 120.400 -0.055 0.000 2.158 790 D HA -0.167 4.482 4.640 0.014 0.000 0.197 790 D C 1.535 177.767 176.300 -0.114 0.000 0.995 790 D CA 1.419 55.330 54.000 -0.149 0.000 0.846 790 D CB -0.031 40.614 40.800 -0.258 0.000 0.941 790 D HN 0.472 nan 8.370 nan 0.000 0.456 791 N N 0.851 119.502 118.700 -0.082 0.000 2.512 791 N HA -0.082 4.667 4.740 0.014 0.000 0.183 791 N C 0.969 176.498 175.510 0.032 0.000 1.073 791 N CA 0.525 53.551 53.050 -0.040 0.000 0.911 791 N CB 0.058 38.513 38.487 -0.054 0.000 0.964 791 N HN 0.266 nan 8.380 nan 0.000 0.447 792 D N 0.211 120.647 120.400 0.059 0.000 2.213 792 D HA 0.098 4.746 4.640 0.014 0.000 0.205 792 D C 1.937 178.290 176.300 0.089 0.000 0.961 792 D CA 0.337 54.413 54.000 0.126 0.000 0.853 792 D CB 0.360 41.314 40.800 0.257 0.000 0.967 792 D HN 0.278 nan 8.370 nan 0.000 0.496 793 I N 0.321 120.929 120.570 0.062 0.000 2.429 793 I HA 0.095 4.273 4.170 0.014 0.000 0.247 793 I C 1.786 177.932 176.117 0.048 0.000 1.099 793 I CA 0.727 62.054 61.300 0.045 0.000 1.422 793 I CB -0.324 37.686 38.000 0.017 0.000 1.112 793 I HN 0.060 nan 8.210 nan 0.000 0.430 794 G N 1.169 110.009 108.800 0.066 0.000 2.550 794 G HA2 -0.342 3.626 3.960 0.014 0.000 0.277 794 G HA3 -0.342 3.626 3.960 0.014 0.000 0.277 794 G C 0.824 175.910 174.900 0.310 0.000 1.190 794 G CA 0.909 46.123 45.100 0.190 0.000 0.971 794 G HN 0.577 nan 8.290 nan 0.000 0.559 795 V N -1.530 118.516 119.914 0.220 0.000 3.306 795 V HA 0.440 4.568 4.120 0.014 0.000 0.264 795 V C 1.649 177.779 176.094 0.060 0.000 1.149 795 V CA 1.738 64.104 62.300 0.110 0.000 1.143 795 V CB -0.283 31.504 31.823 -0.060 0.000 0.767 795 V HN 1.695 nan 8.190 nan 0.000 0.476 796 S N 1.117 116.848 115.700 0.050 0.000 2.575 796 S HA 0.108 4.587 4.470 0.014 0.000 0.295 796 S C 0.053 174.670 174.600 0.028 0.000 1.267 796 S CA 0.192 58.405 58.200 0.021 0.000 1.074 796 S CB -0.260 62.947 63.200 0.011 0.000 0.829 796 S HN 0.813 nan 8.310 nan 0.000 0.497 797 E N 1.934 122.144 120.200 0.018 0.000 2.410 797 E HA 0.580 4.938 4.350 0.014 0.000 0.269 797 E C 0.759 177.372 176.600 0.022 0.000 0.937 797 E CA -0.603 55.813 56.400 0.026 0.000 0.793 797 E CB 1.341 31.055 29.700 0.024 0.000 1.314 797 E HN 0.583 nan 8.360 nan 0.000 0.447 798 A N 0.190 123.029 122.820 0.031 0.000 1.902 798 A HA -0.167 4.162 4.320 0.014 0.000 0.217 798 A C 2.043 179.639 177.584 0.020 0.000 1.181 798 A CA 2.378 54.432 52.037 0.028 0.000 0.623 798 A CB -1.046 17.976 19.000 0.037 0.000 0.818 798 A HN 0.692 nan 8.150 nan 0.000 0.443 799 T N -3.450 111.116 114.554 0.019 0.000 2.995 799 T HA 0.057 4.415 4.350 0.014 0.000 0.269 799 T C 0.910 175.610 174.700 0.000 0.000 1.091 799 T CA 1.067 63.173 62.100 0.011 0.000 1.128 799 T CB -0.093 68.783 68.868 0.013 0.000 0.891 799 T HN 0.386 nan 8.240 nan 0.000 0.492 800 R N 0.781 121.279 120.500 -0.003 0.000 2.921 800 R HA 0.362 4.711 4.340 0.014 0.000 0.269 800 R C -1.181 175.111 176.300 -0.014 0.000 1.696 800 R CA -0.641 55.450 56.100 -0.015 0.000 1.161 800 R CB 0.381 30.664 30.300 -0.028 0.000 1.337 800 R HN 0.168 nan 8.270 nan 0.000 0.496 801 I N 2.410 122.973 120.570 -0.012 0.000 2.618 801 I HA 0.016 4.194 4.170 0.014 0.000 0.284 801 I C 0.264 176.366 176.117 -0.026 0.000 1.146 801 I CA 0.293 61.585 61.300 -0.013 0.000 1.425 801 I CB 0.858 38.852 38.000 -0.011 0.000 1.383 801 I HN 0.585 nan 8.210 nan 0.000 0.562 802 D N 9.451 129.834 120.400 -0.029 0.000 2.467 802 D HA 0.266 4.914 4.640 0.014 0.000 0.220 802 D C -1.504 174.757 176.300 -0.066 0.000 1.103 802 D CA -2.128 51.846 54.000 -0.044 0.000 0.886 802 D CB 1.272 42.052 40.800 -0.034 0.000 1.025 802 D HN 0.215 nan 8.370 nan 0.000 0.514 803 P HA -0.123 nan 4.420 nan 0.000 0.222 803 P C 0.947 178.158 177.300 -0.148 0.000 1.147 803 P CA 0.630 63.674 63.100 -0.093 0.000 0.790 803 P CB 0.419 32.072 31.700 -0.077 0.000 0.780 804 N N 0.276 118.885 118.700 -0.152 0.000 2.331 804 N HA -0.011 4.737 4.740 0.014 0.000 0.180 804 N C 0.559 175.890 175.510 -0.299 0.000 1.019 804 N CA 0.265 53.186 53.050 -0.216 0.000 0.881 804 N CB -0.568 37.822 38.487 -0.161 0.000 0.972 804 N HN -0.013 nan 8.380 nan 0.000 0.435 805 A N -0.573 122.118 122.820 -0.215 0.000 2.498 805 A HA 0.030 4.358 4.320 0.014 0.000 0.239 805 A C 0.726 178.125 177.584 -0.308 0.000 1.068 805 A CA -0.277 51.637 52.037 -0.205 0.000 0.766 805 A CB -0.245 18.704 19.000 -0.086 0.000 1.003 805 A HN 0.566 nan 8.150 nan 0.000 0.497 806 W N 1.713 122.774 121.300 -0.399 0.000 2.321 806 W HA -0.184 4.484 4.660 0.013 0.000 0.306 806 W C 2.215 178.071 176.519 -1.105 0.000 1.217 806 W CA 1.671 58.521 57.345 -0.826 0.000 1.257 806 W CB -0.188 28.761 29.460 -0.851 0.000 1.145 806 W HN 0.583 nan 8.180 nan 0.000 0.509 807 V N 0.816 120.569 119.914 -0.269 0.000 2.332 807 V HA -0.271 3.857 4.120 0.014 0.000 0.248 807 V C 2.125 178.285 176.094 0.110 0.000 1.055 807 V CA 2.154 64.518 62.300 0.108 0.000 1.038 807 V CB -0.332 31.610 31.823 0.199 0.000 0.651 807 V HN 0.085 nan 8.190 nan 0.000 0.450 808 E N -0.103 120.075 120.200 -0.037 0.000 2.107 808 E HA -0.152 4.207 4.350 0.014 0.000 0.191 808 E C 2.334 178.894 176.600 -0.066 0.000 0.982 808 E CA 0.961 57.346 56.400 -0.026 0.000 0.809 808 E CB -0.315 29.349 29.700 -0.060 0.000 0.756 808 E HN 0.623 nan 8.360 nan 0.000 0.459 809 R N 0.021 120.396 120.500 -0.208 0.000 2.073 809 R HA -0.130 4.218 4.340 0.014 0.000 0.234 809 R C 2.339 178.547 176.300 -0.153 0.000 1.134 809 R CA 1.483 57.430 56.100 -0.254 0.000 0.952 809 R CB -0.227 29.802 30.300 -0.452 0.000 0.850 809 R HN 0.257 nan 8.270 nan 0.000 0.433 810 W N 1.434 122.703 121.300 -0.051 0.000 2.354 810 W HA -0.099 4.569 4.660 0.014 0.000 0.315 810 W C 2.017 178.522 176.519 -0.023 0.000 1.206 810 W CA 0.655 57.874 57.345 -0.210 0.000 1.290 810 W CB -0.905 28.552 29.460 -0.005 0.000 1.152 810 W HN 0.117 nan 8.180 nan 0.000 0.489 811 K N 0.226 120.864 120.400 0.395 0.000 2.020 811 K HA -0.178 4.150 4.320 0.014 0.000 0.212 811 K C 2.285 178.945 176.600 0.100 0.000 1.050 811 K CA 2.290 58.751 56.287 0.289 0.000 0.929 811 K CB -0.660 31.953 32.500 0.189 0.000 0.714 811 K HN 0.024 nan 8.250 nan 0.000 0.443 812 A N 0.940 123.784 122.820 0.040 0.000 1.930 812 A HA -0.056 4.272 4.320 0.014 0.000 0.217 812 A C 2.204 179.769 177.584 -0.032 0.000 1.175 812 A CA 1.704 53.741 52.037 -0.001 0.000 0.627 812 A CB -0.524 18.467 19.000 -0.016 0.000 0.815 812 A HN 0.362 nan 8.150 nan 0.000 0.443 813 A N -1.732 121.061 122.820 -0.044 0.000 2.206 813 A HA 0.383 4.711 4.320 0.014 0.000 0.211 813 A C 1.826 179.392 177.584 -0.029 0.000 1.158 813 A CA 1.275 53.303 52.037 -0.016 0.000 0.761 813 A CB -0.952 18.019 19.000 -0.048 0.000 0.801 813 A HN 1.893 nan 8.150 nan 0.000 0.473 814 G N -1.555 107.131 108.800 -0.189 0.000 2.136 814 G HA2 -0.306 3.663 3.960 0.014 0.000 0.242 814 G HA3 -0.306 3.663 3.960 0.014 0.000 0.242 814 G C 0.573 175.507 174.900 0.057 0.000 0.989 814 G CA 0.654 45.440 45.100 -0.524 0.000 0.682 814 G HN 0.755 nan 8.290 nan 0.000 0.522 815 H N -1.656 117.432 119.070 0.031 0.000 2.422 815 H HA -0.123 4.442 4.556 0.014 0.000 0.298 815 H C 2.178 177.500 175.328 -0.009 0.000 1.098 815 H CA 1.720 57.805 56.048 0.061 0.000 1.315 815 H CB 0.117 29.862 29.762 -0.029 0.000 1.382 815 H HN 0.612 nan 8.280 nan 0.000 0.523 816 Y N 0.718 121.170 120.300 0.254 0.000 2.475 816 Y HA -0.082 4.477 4.550 0.014 0.000 0.289 816 Y C 2.060 178.069 175.900 0.182 0.000 1.121 816 Y CA 0.699 58.904 58.100 0.176 0.000 1.257 816 Y CB 0.373 38.917 38.460 0.139 0.000 1.026 816 Y HN 0.329 nan 8.280 nan 0.000 0.555 817 Q N -0.381 119.621 119.800 0.337 0.000 2.135 817 Q HA 0.469 4.817 4.340 0.014 0.000 0.231 817 Q C 0.012 176.244 176.000 0.386 0.000 0.817 817 Q CA -0.274 55.726 55.803 0.328 0.000 1.073 817 Q CB 0.417 29.340 28.738 0.308 0.000 1.176 817 Q HN 0.151 nan 8.270 nan 0.000 0.478 818 A N 1.410 124.477 122.820 0.411 0.000 2.425 818 A HA 0.283 4.611 4.320 0.014 0.000 0.249 818 A C -0.239 177.630 177.584 0.475 0.000 1.084 818 A CA -0.047 52.272 52.037 0.470 0.000 0.781 818 A CB 0.410 19.732 19.000 0.538 0.000 1.019 818 A HN 0.382 nan 8.150 nan 0.000 0.490 819 E N 0.815 121.187 120.200 0.287 0.000 2.195 819 E HA 0.486 4.844 4.350 0.014 0.000 0.271 819 E C -0.534 175.937 176.600 -0.215 0.000 0.923 819 E CA -0.779 55.692 56.400 0.118 0.000 0.790 819 E CB 2.026 31.783 29.700 0.095 0.000 1.155 819 E HN 0.723 nan 8.360 nan 0.000 0.402 820 A N 2.267 124.867 122.820 -0.367 0.000 2.544 820 A HA 0.424 4.752 4.320 0.014 0.000 0.301 820 A C 0.203 177.618 177.584 -0.280 0.000 1.368 820 A CA -0.229 51.365 52.037 -0.738 0.000 1.045 820 A CB -0.338 18.363 19.000 -0.499 0.000 1.129 820 A HN 0.565 nan 8.150 nan 0.000 0.540 821 A N 2.741 125.406 122.820 -0.258 0.000 2.409 821 A HA 0.490 4.818 4.320 0.014 0.000 0.267 821 A C 0.005 177.494 177.584 -0.159 0.000 1.127 821 A CA -0.371 51.584 52.037 -0.137 0.000 0.795 821 A CB 0.016 18.960 19.000 -0.092 0.000 1.061 821 A HN 1.206 nan 8.150 nan 0.000 0.502 822 L N 3.712 124.834 121.223 -0.168 0.000 2.313 822 L HA 0.314 4.663 4.340 0.014 0.000 0.282 822 L C 0.576 177.314 176.870 -0.220 0.000 1.092 822 L CA 0.247 54.904 54.840 -0.306 0.000 0.831 822 L CB 0.325 42.212 42.059 -0.286 0.000 1.159 822 L HN 0.765 nan 8.230 nan 0.000 0.442 823 L N 3.171 124.253 121.223 -0.235 0.000 2.316 823 L HA 0.276 4.625 4.340 0.014 0.000 0.207 823 L C 0.649 177.454 176.870 -0.109 0.000 1.070 823 L CA 0.237 55.003 54.840 -0.124 0.000 0.820 823 L CB -0.005 42.014 42.059 -0.067 0.000 0.992 823 L HN 0.685 nan 8.230 nan 0.000 0.466 824 Q N -0.616 119.096 119.800 -0.147 0.000 2.353 824 Q HA 0.327 4.675 4.340 0.014 0.000 0.275 824 Q C -2.053 173.890 176.000 -0.094 0.000 1.029 824 Q CA -0.442 55.310 55.803 -0.085 0.000 0.848 824 Q CB 3.229 31.944 28.738 -0.038 0.000 1.390 824 Q HN 0.092 nan 8.270 nan 0.000 0.401 825 C N 3.080 122.367 119.300 -0.022 0.000 3.102 825 C HA 0.609 5.078 4.460 0.014 0.000 0.363 825 C C -0.926 174.191 174.990 0.211 0.000 1.048 825 C CA 0.164 59.214 59.018 0.054 0.000 1.330 825 C CB 0.217 27.956 27.740 -0.002 0.000 1.771 825 C HN 0.793 nan 8.230 nan 0.000 0.526 826 T N 2.195 116.842 114.554 0.156 0.000 2.887 826 T HA 0.870 5.229 4.350 0.014 0.000 0.288 826 T C -0.341 174.236 174.700 -0.204 0.000 1.021 826 T CA -0.298 61.853 62.100 0.085 0.000 1.000 826 T CB 1.934 70.802 68.868 0.002 0.000 1.034 826 T HN 1.442 nan 8.240 nan 0.000 0.467 827 A N 2.247 124.713 122.820 -0.590 0.000 2.331 827 A HA 0.737 5.065 4.320 0.014 0.000 0.320 827 A C -0.975 176.355 177.584 -0.424 0.000 1.138 827 A CA -0.740 50.817 52.037 -0.800 0.000 0.790 827 A CB 0.883 18.911 19.000 -1.620 0.000 1.206 827 A HN 0.849 nan 8.150 nan 0.000 0.470 828 D N 1.108 121.325 120.400 -0.305 0.000 2.619 828 D HA 0.515 5.164 4.640 0.014 0.000 0.241 828 D C -0.813 175.380 176.300 -0.178 0.000 1.087 828 D CA 0.062 53.944 54.000 -0.197 0.000 0.851 828 D CB 2.110 42.828 40.800 -0.137 0.000 1.474 828 D HN 0.380 nan 8.370 nan 0.000 0.478 829 T N 1.909 116.378 114.554 -0.143 0.000 2.749 829 T HA 0.477 4.835 4.350 0.014 0.000 0.287 829 T C 0.651 175.291 174.700 -0.099 0.000 0.970 829 T CA -0.507 61.517 62.100 -0.126 0.000 0.980 829 T CB 0.733 69.527 68.868 -0.124 0.000 0.924 829 T HN 0.070 nan 8.240 nan 0.000 0.456 830 L N 1.507 122.675 121.223 -0.093 0.000 2.492 830 L HA 0.581 4.929 4.340 0.014 0.000 0.263 830 L C 1.999 178.830 176.870 -0.066 0.000 1.062 830 L CA -1.125 53.672 54.840 -0.072 0.000 0.817 830 L CB 0.255 42.276 42.059 -0.064 0.000 1.441 830 L HN 0.696 nan 8.230 nan 0.000 0.493 831 A N 0.299 123.090 122.820 -0.050 0.000 1.933 831 A HA -0.159 4.169 4.320 0.014 0.000 0.218 831 A C 1.220 178.780 177.584 -0.041 0.000 1.175 831 A CA 2.006 54.018 52.037 -0.041 0.000 0.628 831 A CB -0.415 18.567 19.000 -0.030 0.000 0.814 831 A HN 0.912 nan 8.150 nan 0.000 0.444 832 D N -2.668 117.706 120.400 -0.042 0.000 2.556 832 D HA 0.504 5.152 4.640 0.014 0.000 0.237 832 D C 0.009 176.281 176.300 -0.046 0.000 1.296 832 D CA 0.729 54.706 54.000 -0.037 0.000 0.807 832 D CB -0.016 40.767 40.800 -0.029 0.000 1.084 832 D HN 0.427 nan 8.370 nan 0.000 0.510 833 A N -0.245 122.537 122.820 -0.062 0.000 2.599 833 A HA 0.604 4.932 4.320 0.014 0.000 0.290 833 A C -1.534 175.989 177.584 -0.101 0.000 1.101 833 A CA -0.654 51.335 52.037 -0.080 0.000 0.674 833 A CB 1.669 20.624 19.000 -0.075 0.000 1.277 833 A HN -0.010 nan 8.150 nan 0.000 0.419 834 V N 0.547 120.386 119.914 -0.124 0.000 2.483 834 V HA 0.612 4.741 4.120 0.014 0.000 0.295 834 V C -0.768 175.230 176.094 -0.159 0.000 1.035 834 V CA -0.420 61.791 62.300 -0.148 0.000 0.896 834 V CB 1.365 33.098 31.823 -0.150 0.000 0.986 834 V HN 0.778 nan 8.190 nan 0.000 0.447 835 L N 6.033 127.153 121.223 -0.172 0.000 2.318 835 L HA 0.575 4.923 4.340 0.014 0.000 0.277 835 L C -0.720 176.021 176.870 -0.215 0.000 1.008 835 L CA -0.016 54.731 54.840 -0.154 0.000 0.846 835 L CB 1.018 43.012 42.059 -0.109 0.000 1.220 835 L HN 0.416 nan 8.230 nan 0.000 0.423 836 I N 4.258 124.688 120.570 -0.234 0.000 2.304 836 I HA 0.319 4.497 4.170 0.014 0.000 0.291 836 I C 0.016 176.096 176.117 -0.062 0.000 1.018 836 I CA -0.091 61.019 61.300 -0.317 0.000 1.260 836 I CB 1.052 38.559 38.000 -0.821 0.000 1.390 836 I HN 0.535 nan 8.210 nan 0.000 0.475 837 T N 5.214 119.740 114.554 -0.047 0.000 2.779 837 T HA 0.578 4.936 4.350 0.014 0.000 0.280 837 T C 0.446 175.189 174.700 0.072 0.000 0.987 837 T CA -0.567 61.554 62.100 0.036 0.000 0.966 837 T CB 1.600 70.469 68.868 0.001 0.000 0.933 837 T HN 0.735 nan 8.240 nan 0.000 0.442 838 T N -0.543 114.097 114.554 0.143 0.000 2.907 838 T HA 0.877 5.235 4.350 0.014 0.000 0.290 838 T C -1.034 173.721 174.700 0.092 0.000 1.066 838 T CA -1.160 61.007 62.100 0.112 0.000 1.012 838 T CB 2.017 71.027 68.868 0.236 0.000 1.184 838 T HN 0.787 nan 8.240 nan 0.000 0.522 839 A N 1.324 124.120 122.820 -0.040 0.000 2.456 839 A HA 0.680 5.009 4.320 0.014 0.000 0.288 839 A C -1.473 176.013 177.584 -0.163 0.000 1.042 839 A CA -0.773 51.275 52.037 0.017 0.000 0.738 839 A CB 0.652 19.664 19.000 0.020 0.000 1.266 839 A HN 0.984 nan 8.150 nan 0.000 0.407 840 H N 0.531 119.684 119.070 0.138 0.000 2.572 840 H HA 0.760 5.324 4.556 0.014 0.000 0.359 840 H C 0.091 175.494 175.328 0.124 0.000 1.134 840 H CA 0.299 56.357 56.048 0.016 0.000 1.187 840 H CB 2.124 31.837 29.762 -0.081 0.000 1.597 840 H HN 0.958 nan 8.280 nan 0.000 0.524 841 A N 2.675 125.536 122.820 0.067 0.000 2.318 841 A HA 0.353 4.681 4.320 0.014 0.000 0.317 841 A C -1.183 176.433 177.584 0.054 0.000 1.159 841 A CA -0.706 51.425 52.037 0.156 0.000 0.799 841 A CB 0.899 19.947 19.000 0.079 0.000 1.194 841 A HN 0.620 nan 8.150 nan 0.000 0.479 842 W N 1.963 123.363 121.300 0.167 0.000 2.335 842 W HA 0.420 5.088 4.660 0.014 0.000 0.307 842 W C -0.382 176.162 176.519 0.042 0.000 1.117 842 W CA -0.076 57.368 57.345 0.164 0.000 1.228 842 W CB 1.500 31.134 29.460 0.290 0.000 1.240 842 W HN 0.709 nan 8.180 nan 0.000 0.468 843 Q N 2.102 122.024 119.800 0.204 0.000 2.347 843 Q HA 0.257 4.605 4.340 0.014 0.000 0.271 843 Q C -0.797 175.319 176.000 0.193 0.000 1.064 843 Q CA -0.618 55.266 55.803 0.134 0.000 0.800 843 Q CB 3.367 32.143 28.738 0.064 0.000 1.304 843 Q HN 0.365 nan 8.270 nan 0.000 0.438 844 H N 2.882 121.997 119.070 0.074 0.000 2.589 844 H HA 0.135 4.699 4.556 0.014 0.000 0.335 844 H C -0.696 174.668 175.328 0.060 0.000 1.019 844 H CA -0.189 55.911 56.048 0.087 0.000 1.213 844 H CB 1.128 30.958 29.762 0.113 0.000 1.472 844 H HN 0.783 nan 8.280 nan 0.000 0.508 845 Q N 3.106 122.753 119.800 -0.255 0.000 2.423 845 Q HA -0.247 4.101 4.340 0.014 0.000 0.332 845 Q C 0.918 176.905 176.000 -0.023 0.000 1.355 845 Q CA 0.951 56.670 55.803 -0.139 0.000 0.947 845 Q CB -1.320 27.346 28.738 -0.120 0.000 1.189 845 Q HN 1.177 nan 8.270 nan 0.000 0.418 846 G N -0.544 108.250 108.800 -0.009 0.000 2.179 846 G HA2 -0.367 3.601 3.960 0.014 0.000 0.260 846 G HA3 -0.367 3.601 3.960 0.014 0.000 0.260 846 G C 0.002 174.916 174.900 0.024 0.000 0.977 846 G CA 0.518 45.623 45.100 0.008 0.000 0.641 846 G HN 0.315 nan 8.290 nan 0.000 0.533 847 K N 1.536 121.962 120.400 0.042 0.000 2.240 847 K HA 0.612 4.940 4.320 0.014 0.000 0.271 847 K C 0.136 176.752 176.600 0.026 0.000 1.018 847 K CA -0.202 56.108 56.287 0.038 0.000 0.874 847 K CB 0.775 33.308 32.500 0.055 0.000 1.098 847 K HN 0.004 nan 8.250 nan 0.000 0.458 848 T N 6.399 120.958 114.554 0.008 0.000 2.727 848 T HA 0.185 4.543 4.350 0.014 0.000 0.295 848 T C 1.169 175.813 174.700 -0.094 0.000 0.915 848 T CA -0.320 61.778 62.100 -0.003 0.000 1.066 848 T CB 0.185 69.070 68.868 0.028 0.000 0.891 848 T HN 0.511 nan 8.240 nan 0.000 0.516 849 L N 2.035 123.108 121.223 -0.251 0.000 2.130 849 L HA 0.331 4.680 4.340 0.014 0.000 0.200 849 L C 0.003 176.424 176.870 -0.749 0.000 1.075 849 L CA 0.760 55.196 54.840 -0.674 0.000 0.768 849 L CB -0.123 41.167 42.059 -1.282 0.000 0.933 849 L HN 0.438 nan 8.230 nan 0.000 0.451 850 F N -0.554 119.336 119.950 -0.100 0.000 2.563 850 F HA 0.629 5.164 4.527 0.014 0.000 0.316 850 F C -0.346 175.525 175.800 0.117 0.000 1.076 850 F CA -1.049 56.821 58.000 -0.217 0.000 0.921 850 F CB 1.614 40.032 39.000 -0.971 0.000 1.209 850 F HN -0.281 nan 8.300 nan 0.000 0.462 851 I N 1.294 122.061 120.570 0.329 0.000 2.499 851 I HA 0.361 4.539 4.170 0.014 0.000 0.288 851 I C -0.800 175.575 176.117 0.430 0.000 1.048 851 I CA -0.507 61.028 61.300 0.392 0.000 1.062 851 I CB 2.214 40.360 38.000 0.243 0.000 1.238 851 I HN 0.575 nan 8.210 nan 0.000 0.426 852 S N 6.849 122.904 115.700 0.591 0.000 2.530 852 S HA 0.543 5.021 4.470 0.014 0.000 0.322 852 S C -0.626 174.222 174.600 0.413 0.000 1.085 852 S CA -0.672 57.853 58.200 0.542 0.000 1.096 852 S CB 0.515 64.165 63.200 0.750 0.000 0.988 852 S HN 0.537 nan 8.310 nan 0.000 0.466 853 R N 3.799 124.464 120.500 0.275 0.000 2.310 853 R HA 0.470 4.819 4.340 0.014 0.000 0.324 853 R C -0.622 175.757 176.300 0.132 0.000 0.955 853 R CA -0.585 55.632 56.100 0.194 0.000 0.830 853 R CB 1.480 31.868 30.300 0.146 0.000 1.154 853 R HN 0.538 nan 8.270 nan 0.000 0.458 854 K N 1.205 121.682 120.400 0.127 0.000 2.328 854 K HA 0.408 4.737 4.320 0.014 0.000 0.246 854 K C -0.607 175.985 176.600 -0.013 0.000 0.955 854 K CA -0.836 55.453 56.287 0.003 0.000 0.817 854 K CB 2.516 35.007 32.500 -0.015 0.000 1.208 854 K HN 0.534 nan 8.250 nan 0.000 0.432 855 T N -0.891 113.587 114.554 -0.127 0.000 2.881 855 T HA 0.446 4.804 4.350 0.014 0.000 0.291 855 T C -1.021 173.581 174.700 -0.164 0.000 0.990 855 T CA -0.763 61.297 62.100 -0.067 0.000 0.976 855 T CB 0.169 69.020 68.868 -0.029 0.000 0.970 855 T HN 0.310 nan 8.240 nan 0.000 0.438 856 Y N 1.765 122.041 120.300 -0.040 0.000 2.330 856 Y HA 0.630 5.189 4.550 0.014 0.000 0.336 856 Y C 0.814 176.654 175.900 -0.100 0.000 1.036 856 Y CA -1.182 56.902 58.100 -0.026 0.000 1.125 856 Y CB 1.452 39.919 38.460 0.012 0.000 1.194 856 Y HN 0.591 nan 8.280 nan 0.000 0.469 857 R N 4.422 124.950 120.500 0.048 0.000 2.435 857 R HA 0.573 4.921 4.340 0.014 0.000 0.308 857 R C -1.827 174.417 176.300 -0.093 0.000 0.975 857 R CA -0.515 55.562 56.100 -0.038 0.000 0.867 857 R CB 0.604 30.886 30.300 -0.030 0.000 1.171 857 R HN 0.803 nan 8.270 nan 0.000 0.470 858 I N 4.956 125.411 120.570 -0.191 0.000 2.328 858 I HA 0.191 4.370 4.170 0.014 0.000 0.287 858 I C -0.156 175.838 176.117 -0.205 0.000 1.012 858 I CA -0.719 60.387 61.300 -0.323 0.000 1.195 858 I CB 1.378 38.961 38.000 -0.696 0.000 1.350 858 I HN 0.628 nan 8.210 nan 0.000 0.464 859 D N 4.131 124.455 120.400 -0.127 0.000 2.506 859 D HA 0.258 4.906 4.640 0.014 0.000 0.272 859 D C 1.372 177.653 176.300 -0.032 0.000 1.214 859 D CA -0.734 53.226 54.000 -0.067 0.000 1.067 859 D CB 0.602 41.379 40.800 -0.038 0.000 1.117 859 D HN 0.450 nan 8.370 nan 0.000 0.578 860 G N -1.657 107.137 108.800 -0.010 0.000 2.708 860 G HA2 -0.060 3.908 3.960 0.014 0.000 0.210 860 G HA3 -0.060 3.908 3.960 0.014 0.000 0.210 860 G C 0.793 175.716 174.900 0.038 0.000 1.141 860 G CA 0.678 45.792 45.100 0.024 0.000 0.788 860 G HN 0.472 nan 8.290 nan 0.000 0.531 861 S N -1.536 114.183 115.700 0.032 0.000 2.554 861 S HA 0.409 4.888 4.470 0.014 0.000 0.226 861 S C 1.653 176.315 174.600 0.104 0.000 0.980 861 S CA 0.704 58.934 58.200 0.051 0.000 0.939 861 S CB 0.373 63.587 63.200 0.023 0.000 0.832 861 S HN 1.263 nan 8.310 nan 0.000 0.486 862 G N 1.412 110.293 108.800 0.135 0.000 2.155 862 G HA2 -0.251 3.717 3.960 0.014 0.000 0.257 862 G HA3 -0.251 3.717 3.960 0.014 0.000 0.257 862 G C -0.206 174.847 174.900 0.254 0.000 0.983 862 G CA 0.063 45.332 45.100 0.282 0.000 0.676 862 G HN 0.606 nan 8.290 nan 0.000 0.528 863 Q N -0.415 119.456 119.800 0.118 0.000 2.274 863 Q HA 0.527 4.875 4.340 0.014 0.000 0.256 863 Q C 0.261 176.289 176.000 0.047 0.000 0.927 863 Q CA -0.246 55.628 55.803 0.118 0.000 0.939 863 Q CB 1.487 30.281 28.738 0.094 0.000 1.201 863 Q HN 0.485 nan 8.270 nan 0.000 0.426 864 M N 2.483 122.147 119.600 0.107 0.000 2.055 864 M HA 0.407 4.896 4.480 0.014 0.000 0.347 864 M C -1.080 175.309 176.300 0.149 0.000 1.123 864 M CA -0.408 54.927 55.300 0.059 0.000 1.035 864 M CB 0.630 33.283 32.600 0.087 0.000 1.484 864 M HN 0.658 nan 8.290 nan 0.000 0.428 865 A N 7.146 130.018 122.820 0.086 0.000 2.269 865 A HA 0.601 4.929 4.320 0.014 0.000 0.302 865 A C -0.631 176.982 177.584 0.047 0.000 1.266 865 A CA -0.588 51.499 52.037 0.083 0.000 0.894 865 A CB -0.067 18.963 19.000 0.052 0.000 1.147 865 A HN 0.929 nan 8.150 nan 0.000 0.537 866 I N 2.261 122.849 120.570 0.030 0.000 2.359 866 I HA 0.313 4.491 4.170 0.014 0.000 0.294 866 I C 0.034 176.049 176.117 -0.170 0.000 0.987 866 I CA -0.067 61.149 61.300 -0.139 0.000 1.225 866 I CB 1.983 39.908 38.000 -0.124 0.000 1.366 866 I HN 0.480 nan 8.210 nan 0.000 0.466 867 T N 5.835 120.253 114.554 -0.227 0.000 2.791 867 T HA 0.467 4.825 4.350 0.014 0.000 0.288 867 T C -0.294 174.236 174.700 -0.284 0.000 0.999 867 T CA -0.459 61.520 62.100 -0.202 0.000 0.952 867 T CB 1.320 70.162 68.868 -0.044 0.000 0.938 867 T HN 0.201 nan 8.240 nan 0.000 0.444 868 V N 3.594 123.222 119.914 -0.476 0.000 2.417 868 V HA 0.508 4.636 4.120 0.014 0.000 0.291 868 V C -0.564 175.392 176.094 -0.231 0.000 1.024 868 V CA -0.911 61.121 62.300 -0.447 0.000 0.861 868 V CB 1.732 33.021 31.823 -0.889 0.000 0.985 868 V HN 0.847 nan 8.190 nan 0.000 0.436 869 D N 3.059 123.472 120.400 0.022 0.000 2.549 869 D HA 0.587 5.235 4.640 0.014 0.000 0.251 869 D C -0.826 175.605 176.300 0.218 0.000 1.153 869 D CA -0.187 53.917 54.000 0.173 0.000 0.861 869 D CB 2.232 43.153 40.800 0.201 0.000 1.207 869 D HN 0.342 nan 8.370 nan 0.000 0.543 870 V N 2.249 122.334 119.914 0.285 0.000 2.513 870 V HA 0.390 4.518 4.120 0.014 0.000 0.299 870 V C 0.009 176.262 176.094 0.267 0.000 1.035 870 V CA -0.799 61.687 62.300 0.309 0.000 0.889 870 V CB 1.896 33.950 31.823 0.385 0.000 0.988 870 V HN 0.442 nan 8.190 nan 0.000 0.440 871 E N 2.494 122.831 120.200 0.229 0.000 2.151 871 E HA 0.591 4.949 4.350 0.014 0.000 0.275 871 E C -1.368 175.349 176.600 0.194 0.000 0.936 871 E CA -0.537 55.974 56.400 0.185 0.000 0.777 871 E CB 2.316 32.102 29.700 0.145 0.000 1.108 871 E HN 0.472 nan 8.360 nan 0.000 0.401 872 V N 2.055 122.091 119.914 0.204 0.000 2.459 872 V HA 0.449 4.577 4.120 0.014 0.000 0.295 872 V C 0.280 176.461 176.094 0.144 0.000 1.029 872 V CA -1.053 61.379 62.300 0.220 0.000 0.874 872 V CB 1.480 33.487 31.823 0.307 0.000 0.985 872 V HN 0.819 nan 8.190 nan 0.000 0.438 873 A N 3.260 126.121 122.820 0.068 0.000 2.540 873 A HA 0.328 4.656 4.320 0.014 0.000 0.239 873 A C 1.495 179.146 177.584 0.112 0.000 1.061 873 A CA 0.504 52.573 52.037 0.053 0.000 0.758 873 A CB 0.224 19.216 19.000 -0.014 0.000 0.991 873 A HN 1.303 nan 8.150 nan 0.000 0.502 874 S N 0.784 116.546 115.700 0.103 0.000 2.428 874 S HA -0.124 4.355 4.470 0.014 0.000 0.230 874 S C 0.909 175.579 174.600 0.116 0.000 1.014 874 S CA 1.112 59.392 58.200 0.133 0.000 0.957 874 S CB -0.297 62.962 63.200 0.099 0.000 0.784 874 S HN 0.828 nan 8.310 nan 0.000 0.499 875 D N 0.688 121.131 120.400 0.072 0.000 2.349 875 D HA 0.106 4.754 4.640 0.014 0.000 0.215 875 D C 0.657 176.980 176.300 0.039 0.000 1.016 875 D CA 0.212 54.238 54.000 0.043 0.000 0.870 875 D CB -0.659 40.158 40.800 0.028 0.000 0.917 875 D HN 0.299 nan 8.370 nan 0.000 0.524 876 T N 1.864 116.462 114.554 0.073 0.000 2.909 876 T HA 0.317 4.675 4.350 0.014 0.000 0.289 876 T C -2.512 172.273 174.700 0.140 0.000 1.005 876 T CA -1.884 60.287 62.100 0.117 0.000 1.084 876 T CB 0.941 69.896 68.868 0.144 0.000 0.975 876 T HN -0.077 nan 8.240 nan 0.000 0.509 877 P HA 0.068 nan 4.420 nan 0.000 0.266 877 P C -0.417 177.169 177.300 0.478 0.000 1.195 877 P CA -0.197 62.984 63.100 0.136 0.000 0.768 877 P CB 0.250 32.005 31.700 0.091 0.000 0.838 878 H N 3.006 122.456 119.070 0.632 0.000 3.001 878 H HA 0.074 4.638 4.556 0.014 0.000 0.334 878 H C -1.724 173.912 175.328 0.514 0.000 1.034 878 H CA -1.514 54.830 56.048 0.494 0.000 1.420 878 H CB -0.848 29.136 29.762 0.369 0.000 1.405 878 H HN 0.366 nan 8.280 nan 0.000 0.593 879 P HA 0.059 nan 4.420 nan 0.000 0.275 879 P C 0.361 177.524 177.300 -0.229 0.000 1.228 879 P CA -0.229 62.898 63.100 0.045 0.000 0.786 879 P CB 0.826 32.443 31.700 -0.140 0.000 0.927 880 A N 3.951 126.381 122.820 -0.652 0.000 1.972 880 A HA -0.129 4.200 4.320 0.014 0.000 0.219 880 A C 1.157 178.338 177.584 -0.672 0.000 1.169 880 A CA 1.367 52.971 52.037 -0.721 0.000 0.635 880 A CB -0.519 17.844 19.000 -1.062 0.000 0.810 880 A HN 0.766 nan 8.150 nan 0.000 0.446 881 R N -2.746 117.403 120.500 -0.585 0.000 2.752 881 R HA 0.744 5.093 4.340 0.014 0.000 0.271 881 R C -1.816 174.251 176.300 -0.388 0.000 1.026 881 R CA -0.842 54.947 56.100 -0.518 0.000 0.901 881 R CB 0.845 30.814 30.300 -0.552 0.000 1.243 881 R HN 0.014 nan 8.270 nan 0.000 0.463 882 I N 1.213 121.590 120.570 -0.321 0.000 2.542 882 I HA 0.591 4.769 4.170 0.014 0.000 0.278 882 I C -0.468 175.426 176.117 -0.372 0.000 1.069 882 I CA -0.306 60.830 61.300 -0.273 0.000 1.100 882 I CB 1.896 39.822 38.000 -0.124 0.000 1.204 882 I HN 0.967 nan 8.210 nan 0.000 0.470 883 G N 5.484 114.011 108.800 -0.456 0.000 2.634 883 G HA2 0.721 4.689 3.960 0.014 0.000 0.309 883 G HA3 0.721 4.689 3.960 0.014 0.000 0.309 883 G C -1.559 173.173 174.900 -0.281 0.000 1.299 883 G CA -0.668 44.203 45.100 -0.381 0.000 0.798 883 G HN 0.241 nan 8.290 nan 0.000 0.490 884 L N 0.934 122.056 121.223 -0.168 0.000 2.322 884 L HA 0.653 5.001 4.340 0.014 0.000 0.269 884 L C -0.353 176.411 176.870 -0.177 0.000 1.012 884 L CA -1.124 53.630 54.840 -0.142 0.000 0.815 884 L CB 2.067 44.120 42.059 -0.009 0.000 1.295 884 L HN 0.755 nan 8.230 nan 0.000 0.438 885 N N 0.690 119.310 118.700 -0.133 0.000 2.331 885 N HA 0.611 5.360 4.740 0.014 0.000 0.280 885 N C -1.384 174.135 175.510 0.015 0.000 1.155 885 N CA -0.523 52.488 53.050 -0.065 0.000 0.822 885 N CB 2.446 40.907 38.487 -0.044 0.000 1.619 885 N HN 0.852 nan 8.380 nan 0.000 0.476 886 C N -0.254 119.072 119.300 0.043 0.000 3.311 886 C HA 0.587 5.055 4.460 0.014 0.000 0.325 886 C C -1.053 173.739 174.990 -0.329 0.000 1.352 886 C CA -0.778 58.207 59.018 -0.056 0.000 1.308 886 C CB 1.131 28.858 27.740 -0.022 0.000 1.619 886 C HN 0.838 nan 8.230 nan 0.000 0.469 887 Q N 1.434 120.803 119.800 -0.717 0.000 2.400 887 Q HA 0.654 5.002 4.340 0.014 0.000 0.255 887 Q C -1.174 174.522 176.000 -0.507 0.000 1.008 887 Q CA -0.395 54.762 55.803 -1.077 0.000 0.841 887 Q CB 0.813 28.495 28.738 -1.760 0.000 1.220 887 Q HN 0.766 nan 8.270 nan 0.000 0.474 888 L N 2.552 123.586 121.223 -0.315 0.000 2.417 888 L HA 0.298 4.646 4.340 0.014 0.000 0.268 888 L C 1.213 178.020 176.870 -0.105 0.000 1.158 888 L CA -0.148 54.630 54.840 -0.104 0.000 0.819 888 L CB 0.946 43.052 42.059 0.078 0.000 1.112 888 L HN 0.804 nan 8.230 nan 0.000 0.458 889 A N 1.891 124.674 122.820 -0.062 0.000 1.969 889 A HA -0.120 4.208 4.320 0.014 0.000 0.218 889 A C 1.179 178.758 177.584 -0.007 0.000 1.169 889 A CA 0.551 52.553 52.037 -0.058 0.000 0.635 889 A CB -0.341 18.619 19.000 -0.066 0.000 0.810 889 A HN 0.782 nan 8.150 nan 0.000 0.445 890 Q N 0.226 120.061 119.800 0.058 0.000 2.330 890 Q HA 0.319 4.668 4.340 0.014 0.000 0.279 890 Q C -1.053 175.001 176.000 0.090 0.000 1.024 890 Q CA 0.559 56.399 55.803 0.061 0.000 0.900 890 Q CB 0.552 29.358 28.738 0.112 0.000 1.221 890 Q HN 0.153 nan 8.270 nan 0.000 0.396 891 V N 4.202 124.122 119.914 0.011 0.000 2.376 891 V HA 0.761 4.890 4.120 0.014 0.000 0.287 891 V C -0.354 175.687 176.094 -0.089 0.000 1.015 891 V CA -0.237 62.085 62.300 0.037 0.000 0.834 891 V CB 0.847 32.684 31.823 0.023 0.000 1.001 891 V HN 0.925 nan 8.190 nan 0.000 0.428 892 A N 3.393 126.074 122.820 -0.232 0.000 2.288 892 A HA 0.758 5.087 4.320 0.014 0.000 0.328 892 A C 0.650 178.200 177.584 -0.058 0.000 1.123 892 A CA -0.451 51.404 52.037 -0.304 0.000 0.861 892 A CB 1.206 19.778 19.000 -0.713 0.000 1.272 892 A HN 0.796 nan 8.150 nan 0.000 0.490 893 E N -0.176 120.003 120.200 -0.034 0.000 2.140 893 E HA 0.019 4.377 4.350 0.014 0.000 0.191 893 E C 0.129 176.784 176.600 0.092 0.000 0.973 893 E CA 0.420 56.840 56.400 0.035 0.000 0.829 893 E CB 0.152 29.858 29.700 0.011 0.000 0.781 893 E HN 0.417 nan 8.360 nan 0.000 0.466 894 R N 0.713 121.267 120.500 0.089 0.000 2.720 894 R HA 0.478 4.827 4.340 0.014 0.000 0.272 894 R C -0.619 175.842 176.300 0.267 0.000 0.991 894 R CA -0.788 55.401 56.100 0.148 0.000 1.010 894 R CB 1.621 31.981 30.300 0.099 0.000 1.141 894 R HN -0.136 nan 8.270 nan 0.000 0.494 895 V N 2.515 122.614 119.914 0.308 0.000 2.443 895 V HA 0.269 4.397 4.120 0.014 0.000 0.293 895 V C -0.283 176.081 176.094 0.450 0.000 1.021 895 V CA -0.899 61.639 62.300 0.397 0.000 0.848 895 V CB 1.646 33.677 31.823 0.347 0.000 0.998 895 V HN 0.609 nan 8.190 nan 0.000 0.424 896 N N 5.217 124.141 118.700 0.374 0.000 2.417 896 N HA 0.454 5.203 4.740 0.014 0.000 0.274 896 N C -1.267 174.457 175.510 0.356 0.000 0.987 896 N CA -0.411 52.811 53.050 0.287 0.000 0.912 896 N CB 2.031 40.596 38.487 0.129 0.000 1.177 896 N HN 0.780 nan 8.380 nan 0.000 0.490 897 W N 3.877 125.211 121.300 0.056 0.000 3.127 897 W HA 0.554 5.222 4.660 0.013 0.000 0.330 897 W C -2.036 174.443 176.519 -0.065 0.000 1.187 897 W CA -1.159 56.189 57.345 0.005 0.000 1.198 897 W CB 0.639 30.115 29.460 0.026 0.000 1.408 897 W HN 0.202 nan 8.180 nan 0.000 0.529 898 L N 5.188 126.346 121.223 -0.107 0.000 2.283 898 L HA 0.892 5.241 4.340 0.014 0.000 0.281 898 L C 0.045 176.683 176.870 -0.386 0.000 1.033 898 L CA 0.404 54.995 54.840 -0.415 0.000 0.848 898 L CB 0.393 42.288 42.059 -0.273 0.000 1.226 898 L HN 0.968 nan 8.230 nan 0.000 0.429 899 G N 3.776 112.223 108.800 -0.588 0.000 2.393 899 G HA2 0.208 4.176 3.960 0.014 0.000 0.264 899 G HA3 0.208 4.176 3.960 0.014 0.000 0.264 899 G C -1.513 173.377 174.900 -0.016 0.000 1.221 899 G CA -0.999 43.949 45.100 -0.254 0.000 0.912 899 G HN 0.382 nan 8.290 nan 0.000 0.483 900 L N 1.267 122.638 121.223 0.248 0.000 2.367 900 L HA 0.596 4.944 4.340 0.014 0.000 0.275 900 L C 1.012 178.009 176.870 0.212 0.000 1.129 900 L CA 0.780 55.742 54.840 0.202 0.000 0.839 900 L CB 0.560 42.686 42.059 0.112 0.000 1.133 900 L HN 1.193 nan 8.230 nan 0.000 0.453 901 G N 3.133 111.856 108.800 -0.128 0.000 2.325 901 G HA2 0.197 4.166 3.960 0.014 0.000 0.295 901 G HA3 0.197 4.166 3.960 0.014 0.000 0.295 901 G C -2.776 171.257 174.900 -1.444 0.000 1.274 901 G CA -0.320 44.387 45.100 -0.655 0.000 0.857 901 G HN 0.309 nan 8.290 nan 0.000 0.499 902 P HA 0.064 nan 4.420 nan 0.000 0.227 902 P C 0.511 177.640 177.300 -0.286 0.000 1.161 902 P CA 0.632 63.171 63.100 -0.936 0.000 0.788 902 P CB 0.366 31.604 31.700 -0.771 0.000 0.822 903 Q N 0.752 120.349 119.800 -0.338 0.000 2.417 903 Q HA 0.084 4.432 4.340 0.014 0.000 0.241 903 Q C 0.504 176.377 176.000 -0.213 0.000 1.008 903 Q CA -0.339 55.334 55.803 -0.217 0.000 0.901 903 Q CB 0.643 29.271 28.738 -0.182 0.000 1.259 903 Q HN 0.202 nan 8.270 nan 0.000 0.489 904 E N 1.855 121.929 120.200 -0.208 0.000 2.529 904 E HA -0.118 4.240 4.350 0.014 0.000 0.259 904 E C -1.134 175.342 176.600 -0.206 0.000 0.966 904 E CA 0.223 56.472 56.400 -0.251 0.000 0.937 904 E CB 0.219 29.826 29.700 -0.156 0.000 0.923 904 E HN 0.579 nan 8.360 nan 0.000 0.468 905 N N 3.108 121.599 118.700 -0.347 0.000 2.264 905 N HA 0.323 5.071 4.740 0.014 0.000 0.288 905 N C -1.878 173.363 175.510 -0.448 0.000 1.094 905 N CA -0.665 52.239 53.050 -0.244 0.000 0.817 905 N CB 0.804 39.196 38.487 -0.159 0.000 1.604 905 N HN 0.274 nan 8.380 nan 0.000 0.473 906 Y N 0.162 120.370 120.300 -0.153 0.000 2.562 906 Y HA 0.472 5.030 4.550 0.014 0.000 0.343 906 Y C -1.610 174.208 175.900 -0.136 0.000 1.025 906 Y CA -2.066 55.931 58.100 -0.171 0.000 1.082 906 Y CB 2.184 40.538 38.460 -0.176 0.000 1.264 906 Y HN 0.453 nan 8.280 nan 0.000 0.478 907 P HA -0.212 nan 4.420 nan 0.000 0.217 907 P C 0.435 177.571 177.300 -0.273 0.000 1.151 907 P CA 2.186 65.309 63.100 0.040 0.000 0.849 907 P CB 0.201 32.025 31.700 0.206 0.000 0.787 908 D N -2.616 117.399 120.400 -0.642 0.000 2.340 908 D HA 0.003 4.651 4.640 0.014 0.000 0.217 908 D C 0.799 176.943 176.300 -0.260 0.000 1.081 908 D CA 0.129 53.568 54.000 -0.936 0.000 0.842 908 D CB -0.219 39.836 40.800 -1.241 0.000 0.934 908 D HN 0.121 nan 8.370 nan 0.000 0.511 909 R N 1.009 121.452 120.500 -0.094 0.000 2.627 909 R HA 0.186 4.534 4.340 0.014 0.000 0.251 909 R C -0.548 175.775 176.300 0.039 0.000 1.524 909 R CA -0.140 55.973 56.100 0.022 0.000 1.606 909 R CB 0.089 30.413 30.300 0.039 0.000 1.396 909 R HN 0.098 nan 8.270 nan 0.000 0.724 910 L N -1.974 119.277 121.223 0.046 0.000 3.298 910 L HA 0.370 4.718 4.340 0.014 0.000 0.296 910 L C 1.263 178.173 176.870 0.067 0.000 1.237 910 L CA -0.005 54.859 54.840 0.039 0.000 1.038 910 L CB 0.319 42.395 42.059 0.029 0.000 1.423 910 L HN 0.044 nan 8.230 nan 0.000 0.605 911 T N -3.031 111.585 114.554 0.104 0.000 2.904 911 T HA 0.083 4.442 4.350 0.014 0.000 0.267 911 T C 1.824 176.482 174.700 -0.069 0.000 1.059 911 T CA 1.122 63.294 62.100 0.120 0.000 1.137 911 T CB -0.298 68.723 68.868 0.256 0.000 0.879 911 T HN 0.352 nan 8.240 nan 0.000 0.467 912 A N 1.926 124.732 122.820 -0.024 0.000 2.014 912 A HA 0.610 4.938 4.320 0.014 0.000 0.218 912 A C 1.702 179.355 177.584 0.115 0.000 1.163 912 A CA 0.605 52.641 52.037 -0.001 0.000 0.652 912 A CB -1.131 18.017 19.000 0.247 0.000 0.808 912 A HN 0.851 nan 8.150 nan 0.000 0.449 913 A N -1.144 121.683 122.820 0.011 0.000 2.466 913 A HA 0.384 4.712 4.320 0.014 0.000 0.238 913 A C 0.065 177.653 177.584 0.006 0.000 1.074 913 A CA 0.283 52.292 52.037 -0.046 0.000 0.774 913 A CB -0.281 18.695 19.000 -0.041 0.000 1.015 913 A HN 0.571 nan 8.150 nan 0.000 0.498 914 C N 0.701 120.005 119.300 0.007 0.000 2.563 914 C HA 0.496 4.964 4.460 0.014 0.000 0.314 914 C C -0.203 174.895 174.990 0.179 0.000 1.199 914 C CA -0.538 58.542 59.018 0.104 0.000 1.564 914 C CB 0.844 28.651 27.740 0.112 0.000 2.173 914 C HN 0.803 nan 8.230 nan 0.000 0.485 915 F N 4.112 123.911 119.950 -0.252 0.000 2.466 915 F HA 0.438 4.973 4.527 0.014 0.000 0.363 915 F C 0.417 175.848 175.800 -0.615 0.000 1.109 915 F CA 1.288 58.969 58.000 -0.532 0.000 1.161 915 F CB -0.101 38.108 39.000 -1.318 0.000 1.117 915 F HN 0.620 nan 8.300 nan 0.000 0.539 916 D N 3.519 123.291 120.400 -1.048 0.000 2.713 916 D HA 0.160 4.808 4.640 0.014 0.000 0.306 916 D C -1.508 173.848 176.300 -1.574 0.000 1.299 916 D CA -0.787 52.444 54.000 -1.282 0.000 0.823 916 D CB 1.600 41.556 40.800 -1.406 0.000 1.353 916 D HN 0.383 nan 8.370 nan 0.000 0.447 917 R N 0.792 120.551 120.500 -1.234 0.000 2.296 917 R HA 0.354 4.703 4.340 0.014 0.000 0.323 917 R C -1.306 174.280 176.300 -1.190 0.000 1.067 917 R CA 0.175 55.690 56.100 -0.975 0.000 0.946 917 R CB -0.038 29.919 30.300 -0.571 0.000 0.991 917 R HN 0.251 nan 8.270 nan 0.000 0.448 918 W N 3.250 124.047 121.300 -0.837 0.000 2.632 918 W HA 0.367 5.035 4.660 0.014 0.000 0.328 918 W C -0.401 175.742 176.519 -0.627 0.000 1.044 918 W CA -0.780 56.006 57.345 -0.932 0.000 1.225 918 W CB 1.730 30.178 29.460 -1.686 0.000 1.396 918 W HN 0.370 nan 8.180 nan 0.000 0.499 919 D N 3.650 124.017 120.400 -0.056 0.000 2.620 919 D HA 0.506 5.154 4.640 0.014 0.000 0.252 919 D C -1.449 174.940 176.300 0.150 0.000 1.207 919 D CA -0.213 53.830 54.000 0.073 0.000 0.884 919 D CB 1.326 42.137 40.800 0.018 0.000 1.262 919 D HN 0.370 nan 8.370 nan 0.000 0.552 920 L N 3.951 125.334 121.223 0.265 0.000 2.371 920 L HA 0.505 4.853 4.340 0.014 0.000 0.262 920 L C -2.256 174.727 176.870 0.187 0.000 1.006 920 L CA -1.987 52.986 54.840 0.222 0.000 0.818 920 L CB 2.932 45.165 42.059 0.290 0.000 1.354 920 L HN 0.202 nan 8.230 nan 0.000 0.415 921 P HA -0.005 nan 4.420 nan 0.000 0.270 921 P C 0.535 177.908 177.300 0.121 0.000 1.223 921 P CA -0.373 62.792 63.100 0.109 0.000 0.785 921 P CB 1.103 32.846 31.700 0.072 0.000 0.923 922 L N 3.059 124.357 121.223 0.125 0.000 2.042 922 L HA -0.214 4.134 4.340 0.014 0.000 0.210 922 L C 2.448 179.364 176.870 0.077 0.000 1.076 922 L CA 2.726 57.638 54.840 0.120 0.000 0.749 922 L CB -1.524 40.621 42.059 0.144 0.000 0.893 922 L HN 0.492 nan 8.230 nan 0.000 0.432 923 S N -1.910 113.834 115.700 0.073 0.000 2.447 923 S HA -0.154 4.325 4.470 0.014 0.000 0.233 923 S C 1.584 176.252 174.600 0.113 0.000 1.006 923 S CA 1.065 59.324 58.200 0.099 0.000 0.957 923 S CB -0.710 62.541 63.200 0.085 0.000 0.773 923 S HN 0.507 nan 8.310 nan 0.000 0.507 924 D N 1.389 121.828 120.400 0.066 0.000 2.264 924 D HA 0.066 4.714 4.640 0.014 0.000 0.208 924 D C 1.491 177.783 176.300 -0.012 0.000 0.966 924 D CA 0.746 54.761 54.000 0.024 0.000 0.864 924 D CB -0.205 40.618 40.800 0.038 0.000 0.933 924 D HN 0.369 nan 8.370 nan 0.000 0.499 925 M N -0.543 119.058 119.600 0.002 0.000 2.618 925 M HA 0.032 4.520 4.480 0.014 0.000 0.240 925 M C 0.130 176.411 176.300 -0.033 0.000 1.123 925 M CA 0.134 55.382 55.300 -0.087 0.000 1.060 925 M CB -0.929 31.613 32.600 -0.096 0.000 1.535 925 M HN -0.020 nan 8.290 nan 0.000 0.507 926 Y N 0.282 120.529 120.300 -0.089 0.000 2.377 926 Y HA 0.461 5.019 4.550 0.014 0.000 0.339 926 Y C -0.604 175.241 175.900 -0.092 0.000 1.011 926 Y CA -0.936 57.133 58.100 -0.051 0.000 1.093 926 Y CB 1.205 39.690 38.460 0.041 0.000 1.201 926 Y HN -0.127 nan 8.280 nan 0.000 0.455 927 T N 8.810 122.875 114.554 -0.814 0.000 2.772 927 T HA 0.285 4.643 4.350 0.014 0.000 0.288 927 T C -2.738 171.196 174.700 -1.276 0.000 0.994 927 T CA -1.520 60.042 62.100 -0.897 0.000 0.951 927 T CB 1.098 69.556 68.868 -0.682 0.000 0.933 927 T HN 0.447 nan 8.240 nan 0.000 0.447 928 P HA 0.165 nan 4.420 nan 0.000 0.220 928 P C -0.745 176.384 177.300 -0.286 0.000 1.806 928 P CA -0.544 62.157 63.100 -0.664 0.000 0.976 928 P CB -0.658 30.791 31.700 -0.419 0.000 1.952 929 Y N -0.118 120.122 120.300 -0.100 0.000 2.610 929 Y HA -0.085 4.473 4.550 0.014 0.000 0.332 929 Y C 2.241 178.206 175.900 0.107 0.000 1.201 929 Y CA 0.018 58.149 58.100 0.052 0.000 1.465 929 Y CB 0.166 38.603 38.460 -0.039 0.000 1.283 929 Y HN -0.056 nan 8.280 nan 0.000 0.563 930 V N 2.979 123.118 119.914 0.376 0.000 2.332 930 V HA -0.292 3.836 4.120 0.014 0.000 0.248 930 V C 0.642 176.918 176.094 0.303 0.000 1.055 930 V CA 1.395 63.896 62.300 0.335 0.000 1.038 930 V CB -0.576 31.479 31.823 0.388 0.000 0.651 930 V HN 0.612 nan 8.190 nan 0.000 0.450 931 F N 3.158 123.158 119.950 0.083 0.000 2.350 931 F HA 0.489 5.025 4.527 0.014 0.000 0.365 931 F C -2.385 173.414 175.800 -0.001 0.000 1.122 931 F CA -3.438 54.551 58.000 -0.018 0.000 1.139 931 F CB 0.607 39.492 39.000 -0.192 0.000 1.220 931 F HN 0.025 nan 8.300 nan 0.000 0.499 932 P HA 0.284 nan 4.420 nan 0.000 0.271 932 P C -1.028 176.029 177.300 -0.406 0.000 1.218 932 P CA 0.022 62.943 63.100 -0.299 0.000 0.780 932 P CB 1.266 32.790 31.700 -0.294 0.000 0.901 933 S N -0.315 115.281 115.700 -0.173 0.000 2.703 933 S HA 0.425 4.903 4.470 0.014 0.000 0.273 933 S C -0.852 173.719 174.600 -0.047 0.000 1.178 933 S CA -0.970 57.149 58.200 -0.135 0.000 0.838 933 S CB 0.299 63.425 63.200 -0.125 0.000 1.178 933 S HN 0.333 nan 8.310 nan 0.000 0.494 934 E N 1.336 121.517 120.200 -0.032 0.000 2.558 934 E HA 0.332 4.690 4.350 0.014 0.000 0.255 934 E C -0.187 176.453 176.600 0.067 0.000 0.968 934 E CA 0.793 57.206 56.400 0.022 0.000 0.939 934 E CB -0.399 29.335 29.700 0.056 0.000 0.921 934 E HN 0.747 nan 8.360 nan 0.000 0.477 935 N N 1.713 120.489 118.700 0.127 0.000 2.934 935 N HA 0.513 5.261 4.740 0.014 0.000 0.253 935 N C 0.145 175.686 175.510 0.052 0.000 1.466 935 N CA -0.603 52.563 53.050 0.193 0.000 0.858 935 N CB 0.933 39.557 38.487 0.230 0.000 1.459 935 N HN 0.645 nan 8.380 nan 0.000 0.532 936 G N -1.105 107.680 108.800 -0.025 0.000 2.187 936 G HA2 -0.277 3.691 3.960 0.014 0.000 0.261 936 G HA3 -0.277 3.691 3.960 0.014 0.000 0.261 936 G C -0.310 174.307 174.900 -0.471 0.000 1.000 936 G CA 0.610 45.576 45.100 -0.224 0.000 0.718 936 G HN 0.681 nan 8.290 nan 0.000 0.519 937 L N -0.506 120.358 121.223 -0.598 0.000 2.452 937 L HA 0.742 5.090 4.340 0.014 0.000 0.267 937 L C 0.654 176.925 176.870 -0.998 0.000 1.188 937 L CA -0.007 54.278 54.840 -0.925 0.000 0.821 937 L CB 0.651 41.981 42.059 -1.214 0.000 1.102 937 L HN 0.223 nan 8.230 nan 0.000 0.470 938 R N 2.411 122.247 120.500 -1.106 0.000 2.575 938 R HA 0.484 4.832 4.340 0.014 0.000 0.293 938 R C -1.036 174.939 176.300 -0.541 0.000 0.983 938 R CA -0.313 55.291 56.100 -0.825 0.000 0.887 938 R CB 1.428 31.132 30.300 -0.993 0.000 1.184 938 R HN 0.679 nan 8.270 nan 0.000 0.445 939 C N 0.476 119.588 119.300 -0.313 0.000 2.345 939 C HA 0.680 5.148 4.460 0.014 0.000 0.369 939 C C 1.404 176.372 174.990 -0.036 0.000 1.273 939 C CA 0.051 58.969 59.018 -0.167 0.000 2.310 939 C CB 1.065 28.733 27.740 -0.119 0.000 2.219 939 C HN 1.039 nan 8.230 nan 0.000 0.587 940 G N 1.694 110.484 108.800 -0.016 0.000 2.341 940 G HA2 -0.190 3.778 3.960 0.014 0.000 0.292 940 G HA3 -0.190 3.778 3.960 0.014 0.000 0.292 940 G C -0.048 174.901 174.900 0.082 0.000 1.021 940 G CA 0.574 45.711 45.100 0.062 0.000 0.905 940 G HN 0.814 nan 8.290 nan 0.000 0.508 941 T N 0.060 114.526 114.554 -0.146 0.000 2.806 941 T HA 0.508 4.866 4.350 0.014 0.000 0.290 941 T C 1.332 175.721 174.700 -0.518 0.000 0.966 941 T CA -0.611 61.337 62.100 -0.253 0.000 1.060 941 T CB 1.323 70.011 68.868 -0.299 0.000 0.927 941 T HN 0.234 nan 8.240 nan 0.000 0.485 942 R N 1.540 121.961 120.500 -0.131 0.000 2.282 942 R HA 0.307 4.655 4.340 0.014 0.000 0.195 942 R C 0.496 176.854 176.300 0.097 0.000 0.909 942 R CA 0.158 56.264 56.100 0.011 0.000 1.039 942 R CB 0.430 30.852 30.300 0.204 0.000 1.015 942 R HN 0.680 nan 8.270 nan 0.000 0.513 943 E N 0.449 120.699 120.200 0.083 0.000 2.354 943 E HA 0.331 4.689 4.350 0.014 0.000 0.283 943 E C -1.909 174.832 176.600 0.235 0.000 0.938 943 E CA -0.668 55.855 56.400 0.205 0.000 0.777 943 E CB 1.552 31.328 29.700 0.127 0.000 1.222 943 E HN -0.097 nan 8.360 nan 0.000 0.423 944 L N 3.835 125.259 121.223 0.334 0.000 2.436 944 L HA 0.592 4.940 4.340 0.014 0.000 0.268 944 L C -1.942 175.129 176.870 0.335 0.000 0.974 944 L CA -0.446 54.553 54.840 0.265 0.000 0.826 944 L CB 1.810 43.927 42.059 0.098 0.000 1.291 944 L HN 0.452 nan 8.230 nan 0.000 0.406 945 N N 4.416 123.282 118.700 0.277 0.000 2.314 945 N HA 0.454 5.203 4.740 0.014 0.000 0.294 945 N C -1.953 173.778 175.510 0.369 0.000 1.029 945 N CA -0.225 52.966 53.050 0.235 0.000 0.845 945 N CB 2.134 40.699 38.487 0.130 0.000 1.321 945 N HN 0.612 nan 8.380 nan 0.000 0.481 946 Y N 1.015 121.436 120.300 0.203 0.000 2.323 946 Y HA 0.406 4.964 4.550 0.014 0.000 0.322 946 Y C 0.731 176.723 175.900 0.154 0.000 1.133 946 Y CA 0.152 58.383 58.100 0.219 0.000 1.093 946 Y CB 0.599 39.265 38.460 0.344 0.000 1.203 946 Y HN 0.827 nan 8.280 nan 0.000 0.427 947 G N 6.238 114.841 108.800 -0.328 0.000 2.629 947 G HA2 -0.323 3.645 3.960 0.014 0.000 0.313 947 G HA3 -0.323 3.645 3.960 0.014 0.000 0.313 947 G C -1.654 173.128 174.900 -0.197 0.000 1.217 947 G CA 0.293 45.219 45.100 -0.290 0.000 0.994 947 G HN 0.631 nan 8.290 nan 0.000 0.549 948 P HA 0.224 nan 4.420 nan 0.000 0.255 948 P C 0.141 177.218 177.300 -0.370 0.000 1.248 948 P CA 0.518 63.420 63.100 -0.329 0.000 0.807 948 P CB 0.077 31.542 31.700 -0.393 0.000 1.150 949 H N 0.304 119.282 119.070 -0.154 0.000 2.496 949 H HA 0.529 5.093 4.556 0.014 0.000 0.342 949 H C -0.233 174.752 175.328 -0.572 0.000 1.170 949 H CA -0.082 55.727 56.048 -0.399 0.000 1.274 949 H CB 1.781 31.135 29.762 -0.679 0.000 1.538 949 H HN 0.045 nan 8.280 nan 0.000 0.542 950 Q N 1.790 121.209 119.800 -0.635 0.000 2.268 950 Q HA 0.217 4.565 4.340 0.014 0.000 0.266 950 Q C -1.692 173.929 176.000 -0.633 0.000 1.006 950 Q CA -0.663 54.867 55.803 -0.455 0.000 0.824 950 Q CB 2.050 30.712 28.738 -0.127 0.000 1.306 950 Q HN 0.564 nan 8.270 nan 0.000 0.424 951 W N 4.030 125.248 121.300 -0.137 0.000 2.587 951 W HA 0.591 5.259 4.660 0.014 0.000 0.324 951 W C -0.106 176.458 176.519 0.076 0.000 1.040 951 W CA -0.709 56.522 57.345 -0.189 0.000 1.222 951 W CB 1.820 30.947 29.460 -0.554 0.000 1.381 951 W HN 0.508 nan 8.180 nan 0.000 0.483 952 R N 0.560 121.256 120.500 0.327 0.000 2.854 952 R HA 0.806 5.155 4.340 0.014 0.000 0.271 952 R C 0.228 176.778 176.300 0.416 0.000 0.994 952 R CA -0.455 55.873 56.100 0.380 0.000 0.945 952 R CB 2.339 32.778 30.300 0.230 0.000 1.194 952 R HN 0.750 nan 8.270 nan 0.000 0.476 953 G N 0.634 109.678 108.800 0.407 0.000 2.384 953 G HA2 -0.060 3.908 3.960 0.014 0.000 0.150 953 G HA3 -0.060 3.908 3.960 0.014 0.000 0.150 953 G C -1.741 173.318 174.900 0.264 0.000 1.269 953 G CA -0.378 44.937 45.100 0.358 0.000 1.094 953 G HN 0.521 nan 8.290 nan 0.000 0.467 954 D N 0.154 120.710 120.400 0.260 0.000 2.472 954 D HA 0.580 5.228 4.640 0.014 0.000 0.248 954 D C -0.555 175.766 176.300 0.035 0.000 1.271 954 D CA -0.449 53.590 54.000 0.064 0.000 0.888 954 D CB -0.016 40.837 40.800 0.089 0.000 1.337 954 D HN 0.590 nan 8.370 nan 0.000 0.526 955 F N -0.334 119.606 119.950 -0.018 0.000 2.664 955 F HA 0.766 5.301 4.527 0.014 0.000 0.329 955 F C -0.912 174.840 175.800 -0.080 0.000 1.090 955 F CA -0.991 56.937 58.000 -0.120 0.000 0.978 955 F CB 0.987 39.915 39.000 -0.119 0.000 1.378 955 F HN -0.190 nan 8.300 nan 0.000 0.495 956 Q N 1.969 121.834 119.800 0.108 0.000 2.340 956 Q HA 0.521 4.870 4.340 0.014 0.000 0.268 956 Q C -1.437 174.619 176.000 0.094 0.000 1.031 956 Q CA -0.454 55.343 55.803 -0.010 0.000 0.804 956 Q CB 2.578 31.232 28.738 -0.139 0.000 1.286 956 Q HN 0.830 nan 8.270 nan 0.000 0.448 957 F N -0.085 119.753 119.950 -0.188 0.000 2.601 957 F HA 0.744 5.279 4.527 0.014 0.000 0.309 957 F C -1.285 174.296 175.800 -0.366 0.000 1.089 957 F CA -1.027 56.828 58.000 -0.242 0.000 0.940 957 F CB 1.618 40.522 39.000 -0.160 0.000 1.273 957 F HN 0.529 nan 8.300 nan 0.000 0.450 958 N N 3.027 121.512 118.700 -0.359 0.000 2.312 958 N HA 0.749 5.497 4.740 0.014 0.000 0.296 958 N C -1.991 173.423 175.510 -0.159 0.000 1.193 958 N CA -0.849 51.958 53.050 -0.404 0.000 0.773 958 N CB 2.684 40.976 38.487 -0.325 0.000 1.435 958 N HN 1.084 nan 8.380 nan 0.000 0.484 959 I N 0.313 120.786 120.570 -0.161 0.000 2.586 959 I HA 0.618 4.796 4.170 0.014 0.000 0.288 959 I C -1.412 174.623 176.117 -0.136 0.000 1.147 959 I CA -0.007 61.191 61.300 -0.171 0.000 1.047 959 I CB 1.233 39.065 38.000 -0.279 0.000 1.244 959 I HN 1.008 nan 8.210 nan 0.000 0.429 960 S N 6.335 121.975 115.700 -0.100 0.000 2.688 960 S HA 0.570 5.048 4.470 0.014 0.000 0.275 960 S C 0.037 174.542 174.600 -0.158 0.000 1.175 960 S CA -0.948 57.188 58.200 -0.108 0.000 0.818 960 S CB 1.934 65.133 63.200 -0.002 0.000 1.157 960 S HN 0.631 nan 8.310 nan 0.000 0.482 961 R N -0.345 119.903 120.500 -0.421 0.000 2.310 961 R HA 0.228 4.576 4.340 0.014 0.000 0.202 961 R C -0.868 175.145 176.300 -0.478 0.000 0.933 961 R CA 0.367 56.189 56.100 -0.464 0.000 1.054 961 R CB -0.850 29.066 30.300 -0.641 0.000 0.985 961 R HN 0.630 nan 8.270 nan 0.000 0.489 962 Y N 0.325 120.580 120.300 -0.075 0.000 2.341 962 Y HA 0.230 4.788 4.550 0.014 0.000 0.338 962 Y C 0.765 176.483 175.900 -0.304 0.000 0.965 962 Y CA -1.463 56.522 58.100 -0.192 0.000 1.108 962 Y CB 1.252 39.553 38.460 -0.266 0.000 1.180 962 Y HN -0.101 nan 8.280 nan 0.000 0.458 963 S N 1.788 117.200 115.700 -0.480 0.000 2.593 963 S HA 0.055 4.533 4.470 0.014 0.000 0.269 963 S C 0.969 175.236 174.600 -0.554 0.000 1.334 963 S CA -0.728 56.813 58.200 -1.099 0.000 1.015 963 S CB 1.044 63.385 63.200 -1.431 0.000 0.912 963 S HN 0.691 nan 8.310 nan 0.000 0.541 964 Q N 0.717 120.193 119.800 -0.540 0.000 2.135 964 Q HA -0.208 4.140 4.340 0.014 0.000 0.204 964 Q C 2.241 178.090 176.000 -0.251 0.000 0.981 964 Q CA 1.957 57.581 55.803 -0.298 0.000 0.856 964 Q CB -0.612 27.982 28.738 -0.240 0.000 0.902 964 Q HN 0.975 nan 8.270 nan 0.000 0.425 965 Q N 0.535 120.148 119.800 -0.312 0.000 2.030 965 Q HA -0.221 4.127 4.340 0.014 0.000 0.204 965 Q C 2.169 178.062 176.000 -0.178 0.000 0.986 965 Q CA 1.621 57.303 55.803 -0.202 0.000 0.843 965 Q CB -0.004 28.622 28.738 -0.186 0.000 0.904 965 Q HN 0.388 nan 8.270 nan 0.000 0.420 966 Q N -0.007 119.664 119.800 -0.215 0.000 2.050 966 Q HA -0.177 4.171 4.340 0.014 0.000 0.202 966 Q C 2.271 178.152 176.000 -0.199 0.000 0.980 966 Q CA 1.470 57.164 55.803 -0.182 0.000 0.840 966 Q CB -0.132 28.482 28.738 -0.208 0.000 0.898 966 Q HN 0.493 nan 8.270 nan 0.000 0.424 967 L N 0.499 121.594 121.223 -0.213 0.000 2.043 967 L HA -0.249 4.099 4.340 0.014 0.000 0.212 967 L C 2.695 179.427 176.870 -0.230 0.000 1.075 967 L CA 1.728 56.436 54.840 -0.220 0.000 0.752 967 L CB -0.441 41.518 42.059 -0.166 0.000 0.891 967 L HN 0.491 nan 8.230 nan 0.000 0.432 968 M N -1.993 117.499 119.600 -0.181 0.000 2.506 968 M HA -0.046 4.442 4.480 0.014 0.000 0.260 968 M C 1.439 177.655 176.300 -0.140 0.000 1.104 968 M CA 1.441 56.644 55.300 -0.161 0.000 1.112 968 M CB -0.121 32.404 32.600 -0.125 0.000 1.401 968 M HN 0.058 nan 8.290 nan 0.000 0.473 969 E N 1.067 121.189 120.200 -0.129 0.000 2.474 969 E HA 0.094 4.452 4.350 0.014 0.000 0.194 969 E C -0.454 176.094 176.600 -0.086 0.000 1.041 969 E CA 0.211 56.560 56.400 -0.086 0.000 0.874 969 E CB 0.545 30.206 29.700 -0.065 0.000 0.914 969 E HN 0.444 nan 8.360 nan 0.000 0.498 970 T N -0.047 114.420 114.554 -0.145 0.000 2.792 970 T HA 0.122 4.480 4.350 0.014 0.000 0.280 970 T C 0.817 175.410 174.700 -0.179 0.000 0.990 970 T CA -0.583 61.431 62.100 -0.143 0.000 0.960 970 T CB 1.698 70.454 68.868 -0.187 0.000 0.939 970 T HN -0.025 nan 8.240 nan 0.000 0.439 971 S N 1.405 117.098 115.700 -0.011 0.000 2.517 971 S HA 0.147 4.625 4.470 0.014 0.000 0.214 971 S C 0.172 174.855 174.600 0.139 0.000 0.991 971 S CA 0.050 58.322 58.200 0.120 0.000 0.906 971 S CB -0.224 63.206 63.200 0.383 0.000 0.789 971 S HN 0.740 nan 8.310 nan 0.000 0.513 972 H N 0.641 119.728 119.070 0.029 0.000 2.771 972 H HA 0.491 5.055 4.556 0.014 0.000 0.361 972 H C 0.875 176.193 175.328 -0.017 0.000 1.108 972 H CA -0.780 55.343 56.048 0.125 0.000 1.201 972 H CB 1.550 31.397 29.762 0.142 0.000 1.681 972 H HN 0.130 nan 8.280 nan 0.000 0.534 973 R N 1.824 122.437 120.500 0.188 0.000 2.120 973 R HA -0.163 4.186 4.340 0.014 0.000 0.234 973 R C 1.267 177.582 176.300 0.026 0.000 1.123 973 R CA 1.879 58.019 56.100 0.066 0.000 0.975 973 R CB -0.386 29.989 30.300 0.124 0.000 0.866 973 R HN 0.774 nan 8.270 nan 0.000 0.446 974 H N 0.963 120.044 119.070 0.019 0.000 2.524 974 H HA 0.034 4.598 4.556 0.014 0.000 0.282 974 H C 1.567 176.827 175.328 -0.113 0.000 1.016 974 H CA 0.804 56.829 56.048 -0.038 0.000 1.270 974 H CB -0.135 29.603 29.762 -0.039 0.000 1.394 974 H HN 0.307 nan 8.280 nan 0.000 0.568 975 L N 0.917 121.698 121.223 -0.737 0.000 2.554 975 L HA 0.158 4.506 4.340 0.014 0.000 0.226 975 L C 0.697 177.421 176.870 -0.243 0.000 1.137 975 L CA -0.093 54.413 54.840 -0.555 0.000 0.863 975 L CB 0.045 41.767 42.059 -0.561 0.000 0.985 975 L HN 0.070 nan 8.230 nan 0.000 0.451 976 L N 1.330 122.412 121.223 -0.235 0.000 2.410 976 L HA 0.094 4.443 4.340 0.014 0.000 0.273 976 L C 0.288 177.148 176.870 -0.016 0.000 1.152 976 L CA -0.071 54.619 54.840 -0.250 0.000 0.855 976 L CB 0.269 41.954 42.059 -0.623 0.000 1.129 976 L HN 0.196 nan 8.230 nan 0.000 0.463 977 H N 2.465 121.575 119.070 0.065 0.000 2.492 977 H HA 0.600 5.164 4.556 0.014 0.000 0.345 977 H C -0.649 174.796 175.328 0.195 0.000 1.136 977 H CA -1.271 54.842 56.048 0.108 0.000 1.202 977 H CB 1.441 31.220 29.762 0.028 0.000 1.524 977 H HN 0.634 nan 8.280 nan 0.000 0.506 978 A N 3.554 126.448 122.820 0.122 0.000 2.491 978 A HA 0.112 4.440 4.320 0.014 0.000 0.261 978 A C 0.362 177.972 177.584 0.044 0.000 1.101 978 A CA -0.349 51.624 52.037 -0.108 0.000 0.772 978 A CB -0.220 18.700 19.000 -0.135 0.000 1.043 978 A HN 0.839 nan 8.150 nan 0.000 0.501 979 E N 1.313 121.507 120.200 -0.009 0.000 2.345 979 E HA 0.136 4.494 4.350 0.014 0.000 0.259 979 E C -0.003 176.627 176.600 0.051 0.000 1.117 979 E CA -0.525 55.947 56.400 0.121 0.000 0.913 979 E CB 0.762 30.594 29.700 0.221 0.000 1.057 979 E HN 0.781 nan 8.360 nan 0.000 0.432 980 E N 0.666 120.898 120.200 0.053 0.000 2.415 980 E HA 0.117 4.475 4.350 0.014 0.000 0.263 980 E C 0.390 176.950 176.600 -0.067 0.000 0.995 980 E CA 0.622 57.018 56.400 -0.007 0.000 0.915 980 E CB 0.244 29.939 29.700 -0.008 0.000 0.951 980 E HN 0.685 nan 8.360 nan 0.000 0.449 981 G N 3.465 112.226 108.800 -0.064 0.000 2.601 981 G HA2 -0.248 3.720 3.960 0.014 0.000 0.252 981 G HA3 -0.248 3.720 3.960 0.014 0.000 0.252 981 G C -0.572 174.270 174.900 -0.097 0.000 1.294 981 G CA -0.076 44.975 45.100 -0.081 0.000 0.912 981 G HN 0.619 nan 8.290 nan 0.000 0.574 982 T N 0.007 114.487 114.554 -0.124 0.000 2.841 982 T HA 0.506 4.864 4.350 0.014 0.000 0.285 982 T C -0.658 173.897 174.700 -0.242 0.000 0.991 982 T CA -0.208 61.820 62.100 -0.121 0.000 0.966 982 T CB 1.444 70.294 68.868 -0.030 0.000 0.962 982 T HN 0.575 nan 8.240 nan 0.000 0.438 983 W N 2.856 124.060 121.300 -0.160 0.000 2.287 983 W HA 0.576 5.244 4.660 0.014 0.000 0.313 983 W C -0.177 176.203 176.519 -0.232 0.000 1.267 983 W CA -0.633 56.612 57.345 -0.165 0.000 1.201 983 W CB 0.667 30.044 29.460 -0.139 0.000 1.196 983 W HN 0.407 nan 8.180 nan 0.000 0.536 984 L N 5.282 126.495 121.223 -0.017 0.000 2.356 984 L HA 0.490 4.838 4.340 0.014 0.000 0.277 984 L C -0.950 175.822 176.870 -0.164 0.000 0.996 984 L CA -0.461 54.249 54.840 -0.217 0.000 0.822 984 L CB 1.058 42.841 42.059 -0.460 0.000 1.256 984 L HN 0.330 nan 8.230 nan 0.000 0.413 985 N N 6.932 125.520 118.700 -0.186 0.000 2.696 985 N HA 0.394 5.143 4.740 0.014 0.000 0.246 985 N C -1.096 174.286 175.510 -0.215 0.000 1.057 985 N CA -0.152 52.793 53.050 -0.175 0.000 0.867 985 N CB 1.523 39.934 38.487 -0.126 0.000 1.141 985 N HN 0.564 nan 8.380 nan 0.000 0.517 986 I N 1.735 122.124 120.570 -0.303 0.000 2.297 986 I HA 0.170 4.349 4.170 0.014 0.000 0.291 986 I C -0.171 175.780 176.117 -0.277 0.000 1.033 986 I CA -0.378 60.725 61.300 -0.328 0.000 1.253 986 I CB 0.767 38.395 38.000 -0.619 0.000 1.396 986 I HN 0.100 nan 8.210 nan 0.000 0.476 987 D N 5.069 125.336 120.400 -0.222 0.000 2.192 987 D HA 0.208 4.856 4.640 0.014 0.000 0.246 987 D C 0.958 176.957 176.300 -0.502 0.000 1.042 987 D CA -0.292 53.508 54.000 -0.333 0.000 0.847 987 D CB 2.442 43.147 40.800 -0.160 0.000 1.186 987 D HN 0.666 nan 8.370 nan 0.000 0.461 988 G N 1.169 109.355 108.800 -1.023 0.000 2.421 988 G HA2 -0.017 3.951 3.960 0.014 0.000 0.217 988 G HA3 -0.017 3.951 3.960 0.014 0.000 0.217 988 G C 0.114 174.250 174.900 -1.272 0.000 1.143 988 G CA 0.543 44.861 45.100 -1.303 0.000 0.784 988 G HN 0.386 nan 8.290 nan 0.000 0.541 989 F N -2.099 117.652 119.950 -0.331 0.000 2.608 989 F HA 0.548 5.084 4.527 0.014 0.000 0.309 989 F C -0.675 175.028 175.800 -0.161 0.000 1.103 989 F CA -1.176 56.707 58.000 -0.194 0.000 0.954 989 F CB 2.042 40.862 39.000 -0.299 0.000 1.267 989 F HN 0.004 nan 8.300 nan 0.000 0.444 990 H N 2.304 121.388 119.070 0.023 0.000 2.782 990 H HA 0.509 5.073 4.556 0.014 0.000 0.347 990 H C -0.598 174.753 175.328 0.038 0.000 1.038 990 H CA -0.861 55.177 56.048 -0.017 0.000 1.255 990 H CB 1.729 31.482 29.762 -0.015 0.000 1.623 990 H HN 0.785 nan 8.280 nan 0.000 0.525 991 M N 3.657 123.195 119.600 -0.103 0.000 2.252 991 M HA 0.210 4.698 4.480 0.014 0.000 0.333 991 M C 0.501 176.871 176.300 0.118 0.000 1.111 991 M CA 0.519 55.810 55.300 -0.016 0.000 1.140 991 M CB 0.290 32.783 32.600 -0.178 0.000 1.538 991 M HN 0.851 nan 8.290 nan 0.000 0.448 992 G N 3.432 112.297 108.800 0.108 0.000 2.630 992 G HA2 0.231 4.200 3.960 0.014 0.000 0.236 992 G HA3 0.231 4.200 3.960 0.014 0.000 0.236 992 G C 0.668 175.529 174.900 -0.066 0.000 1.248 992 G CA -0.230 44.873 45.100 0.006 0.000 0.844 992 G HN 0.992 nan 8.290 nan 0.000 0.588 993 I N -0.746 119.737 120.570 -0.145 0.000 2.852 993 I HA 0.380 4.558 4.170 0.014 0.000 0.264 993 I C 1.290 177.337 176.117 -0.117 0.000 1.179 993 I CA 0.494 61.671 61.300 -0.205 0.000 1.480 993 I CB -0.714 37.065 38.000 -0.367 0.000 1.111 993 I HN 0.949 nan 8.210 nan 0.000 0.441 994 G N 1.206 109.965 108.800 -0.068 0.000 2.750 994 G HA2 0.076 4.045 3.960 0.014 0.000 0.228 994 G HA3 0.076 4.045 3.960 0.014 0.000 0.228 994 G C 0.469 175.373 174.900 0.006 0.000 1.367 994 G CA -0.026 45.075 45.100 0.001 0.000 0.871 994 G HN 1.398 nan 8.290 nan 0.000 0.560 995 G N -2.085 106.735 108.800 0.034 0.000 2.789 995 G HA2 0.102 4.070 3.960 0.014 0.000 0.218 995 G HA3 0.102 4.070 3.960 0.014 0.000 0.218 995 G C 0.533 175.499 174.900 0.110 0.000 0.980 995 G CA 0.993 46.119 45.100 0.044 0.000 0.848 995 G HN 0.890 nan 8.290 nan 0.000 0.591 996 D N 1.150 121.631 120.400 0.136 0.000 2.182 996 D HA 0.078 4.727 4.640 0.014 0.000 0.201 996 D C 1.142 177.476 176.300 0.058 0.000 0.986 996 D CA 2.139 56.279 54.000 0.233 0.000 0.847 996 D CB 0.231 41.170 40.800 0.232 0.000 0.942 996 D HN 0.767 nan 8.370 nan 0.000 0.467 997 D N -3.038 117.185 120.400 -0.295 0.000 2.752 997 D HA 0.357 5.005 4.640 0.014 0.000 0.313 997 D C -0.787 175.012 176.300 -0.835 0.000 1.225 997 D CA -0.721 52.694 54.000 -0.974 0.000 0.976 997 D CB 0.826 40.551 40.800 -1.791 0.000 1.443 997 D HN -0.291 nan 8.370 nan 0.000 0.515 998 S N -1.006 113.992 115.700 -1.170 0.000 2.835 998 S HA 0.268 4.746 4.470 0.014 0.000 0.248 998 S C -0.818 173.822 174.600 0.067 0.000 1.070 998 S CA -0.689 57.306 58.200 -0.342 0.000 1.090 998 S CB -0.446 62.713 63.200 -0.068 0.000 0.978 998 S HN 0.613 nan 8.310 nan 0.000 0.510 999 W N 0.680 121.941 121.300 -0.065 0.000 1.780 999 W HA 0.535 5.203 4.660 0.013 0.000 0.256 999 W C -0.008 176.479 176.519 -0.054 0.000 0.844 999 W CA -0.335 56.979 57.345 -0.052 0.000 1.227 999 W CB -0.471 28.894 29.460 -0.158 0.000 1.006 999 W HN 0.207 nan 8.180 nan 0.000 0.493 1000 S N -1.083 114.527 115.700 -0.150 0.000 2.565 1000 S HA 0.595 5.073 4.470 0.014 0.000 0.269 1000 S C -3.138 171.403 174.600 -0.098 0.000 1.153 1000 S CA -1.528 56.618 58.200 -0.089 0.000 0.835 1000 S CB 1.475 64.651 63.200 -0.041 0.000 1.122 1000 S HN -0.218 nan 8.310 nan 0.000 0.462 1001 P HA 0.130 nan 4.420 nan 0.000 0.260 1001 P C 0.498 177.835 177.300 0.062 0.000 1.172 1001 P CA 0.240 63.349 63.100 0.015 0.000 0.760 1001 P CB 0.547 32.129 31.700 -0.198 0.000 0.773 1002 S N 0.835 116.613 115.700 0.130 0.000 2.649 1002 S HA 0.095 4.573 4.470 0.014 0.000 0.246 1002 S C 0.373 175.061 174.600 0.147 0.000 1.057 1002 S CA -0.211 58.039 58.200 0.084 0.000 1.051 1002 S CB -0.201 62.999 63.200 -0.001 0.000 1.018 1002 S HN 0.126 nan 8.310 nan 0.000 0.569 1003 V N 3.349 123.393 119.914 0.216 0.000 2.485 1003 V HA 0.274 4.402 4.120 0.014 0.000 0.287 1003 V C 0.846 177.097 176.094 0.261 0.000 1.022 1003 V CA -0.083 62.341 62.300 0.207 0.000 1.067 1003 V CB 0.640 32.545 31.823 0.136 0.000 0.967 1003 V HN 0.519 nan 8.190 nan 0.000 0.479 1004 S N 4.163 120.030 115.700 0.279 0.000 2.568 1004 S HA 0.276 4.754 4.470 0.014 0.000 0.282 1004 S C 1.515 176.255 174.600 0.234 0.000 1.338 1004 S CA 0.002 58.356 58.200 0.256 0.000 1.045 1004 S CB 1.084 64.464 63.200 0.301 0.000 0.873 1004 S HN 0.998 nan 8.310 nan 0.000 0.516 1005 A N 3.454 126.364 122.820 0.150 0.000 2.024 1005 A HA -0.125 4.203 4.320 0.014 0.000 0.220 1005 A C 1.987 179.596 177.584 0.042 0.000 1.164 1005 A CA 1.726 53.836 52.037 0.122 0.000 0.643 1005 A CB -0.515 18.538 19.000 0.088 0.000 0.806 1005 A HN 0.943 nan 8.150 nan 0.000 0.451 1006 E N -1.165 118.994 120.200 -0.070 0.000 2.482 1006 E HA -0.060 4.298 4.350 0.014 0.000 0.196 1006 E C 0.152 176.525 176.600 -0.379 0.000 1.047 1006 E CA 0.413 56.660 56.400 -0.255 0.000 0.869 1006 E CB -0.322 29.145 29.700 -0.388 0.000 0.836 1006 E HN 0.587 nan 8.360 nan 0.000 0.520 1007 F N 1.531 121.531 119.950 0.082 0.000 2.708 1007 F HA 0.328 4.863 4.527 0.013 0.000 0.300 1007 F C 0.471 176.306 175.800 0.059 0.000 1.118 1007 F CA -0.392 57.657 58.000 0.082 0.000 1.307 1007 F CB 0.438 39.488 39.000 0.085 0.000 0.986 1007 F HN -0.178 nan 8.300 nan 0.000 0.522 1008 Q N 0.974 120.874 119.800 0.168 0.000 2.282 1008 Q HA 0.462 4.810 4.340 0.014 0.000 0.260 1008 Q C -0.293 175.724 176.000 0.028 0.000 0.964 1008 Q CA -0.645 55.229 55.803 0.118 0.000 0.880 1008 Q CB 2.473 31.347 28.738 0.226 0.000 1.286 1008 Q HN 0.231 nan 8.270 nan 0.000 0.445 1009 L N 2.589 123.820 121.223 0.014 0.000 2.395 1009 L HA 0.099 4.447 4.340 0.014 0.000 0.268 1009 L C 0.537 177.396 176.870 -0.018 0.000 1.223 1009 L CA 0.034 54.874 54.840 0.001 0.000 1.093 1009 L CB -0.393 41.567 42.059 -0.166 0.000 1.349 1009 L HN 0.684 nan 8.230 nan 0.000 0.427 1010 S N -1.149 114.474 115.700 -0.128 0.000 2.730 1010 S HA 0.200 4.678 4.470 0.014 0.000 0.244 1010 S C 1.390 175.928 174.600 -0.104 0.000 1.022 1010 S CA 0.132 58.107 58.200 -0.375 0.000 1.014 1010 S CB 0.900 63.643 63.200 -0.761 0.000 0.963 1010 S HN 0.489 nan 8.310 nan 0.000 0.540 1011 A N 1.407 124.181 122.820 -0.077 0.000 2.168 1011 A HA 0.511 4.839 4.320 0.014 0.000 0.215 1011 A C 2.085 179.517 177.584 -0.254 0.000 1.152 1011 A CA 1.007 52.860 52.037 -0.306 0.000 0.716 1011 A CB -1.205 17.359 19.000 -0.726 0.000 0.794 1011 A HN 1.514 nan 8.150 nan 0.000 0.465 1012 G N -1.157 107.603 108.800 -0.066 0.000 2.458 1012 G HA2 -0.313 3.655 3.960 0.014 0.000 0.237 1012 G HA3 -0.313 3.655 3.960 0.014 0.000 0.237 1012 G C 0.448 175.360 174.900 0.020 0.000 1.113 1012 G CA 0.584 45.700 45.100 0.028 0.000 0.655 1012 G HN 0.686 nan 8.290 nan 0.000 0.513 1013 R N -0.667 119.728 120.500 -0.174 0.000 2.538 1013 R HA 0.644 4.992 4.340 0.014 0.000 0.292 1013 R C -1.604 174.514 176.300 -0.303 0.000 1.008 1013 R CA -0.590 55.455 56.100 -0.092 0.000 0.896 1013 R CB 1.475 31.745 30.300 -0.049 0.000 1.187 1013 R HN 0.224 nan 8.270 nan 0.000 0.440 1014 Y N 0.466 120.798 120.300 0.053 0.000 2.462 1014 Y HA 0.359 4.917 4.550 0.014 0.000 0.346 1014 Y C -0.287 175.802 175.900 0.315 0.000 0.976 1014 Y CA -0.832 57.301 58.100 0.055 0.000 1.044 1014 Y CB 2.139 40.538 38.460 -0.102 0.000 1.230 1014 Y HN 0.565 nan 8.280 nan 0.000 0.455 1015 H N 2.804 122.174 119.070 0.500 0.000 2.600 1015 H HA 0.626 5.190 4.556 0.014 0.000 0.357 1015 H C -1.709 173.997 175.328 0.629 0.000 1.106 1015 H CA -0.915 55.392 56.048 0.433 0.000 1.193 1015 H CB 1.213 31.123 29.762 0.247 0.000 1.594 1015 H HN 0.581 nan 8.280 nan 0.000 0.526 1016 Y N 1.551 121.618 120.300 -0.388 0.000 2.592 1016 Y HA 0.377 4.936 4.550 0.014 0.000 0.334 1016 Y C -2.160 173.518 175.900 -0.369 0.000 1.136 1016 Y CA -1.126 56.799 58.100 -0.291 0.000 1.042 1016 Y CB 1.290 39.686 38.460 -0.107 0.000 1.325 1016 Y HN 0.731 nan 8.280 nan 0.000 0.457 1017 Q N 3.544 123.295 119.800 -0.081 0.000 2.305 1017 Q HA 0.746 5.095 4.340 0.014 0.000 0.271 1017 Q C -2.079 173.982 176.000 0.101 0.000 1.046 1017 Q CA -0.997 54.767 55.803 -0.064 0.000 0.798 1017 Q CB 3.106 31.846 28.738 0.003 0.000 1.286 1017 Q HN 0.836 nan 8.270 nan 0.000 0.435 1018 L N 1.564 122.834 121.223 0.078 0.000 2.354 1018 L HA 0.719 5.067 4.340 0.014 0.000 0.269 1018 L C -0.689 176.279 176.870 0.164 0.000 1.005 1018 L CA -1.359 53.564 54.840 0.139 0.000 0.819 1018 L CB 2.322 44.440 42.059 0.098 0.000 1.311 1018 L HN 0.444 nan 8.230 nan 0.000 0.423 1019 V N 1.128 121.161 119.914 0.198 0.000 2.384 1019 V HA 0.338 4.466 4.120 0.014 0.000 0.287 1019 V C -1.054 175.196 176.094 0.259 0.000 1.020 1019 V CA -0.406 62.020 62.300 0.210 0.000 0.850 1019 V CB 1.764 33.685 31.823 0.164 0.000 0.987 1019 V HN 0.598 nan 8.190 nan 0.000 0.436 1020 W N 7.264 128.617 121.300 0.089 0.000 2.376 1020 W HA 0.695 5.364 4.660 0.014 0.000 0.312 1020 W C -0.198 176.336 176.519 0.025 0.000 1.060 1020 W CA -1.160 56.180 57.345 -0.008 0.000 1.221 1020 W CB 1.388 30.906 29.460 0.097 0.000 1.281 1020 W HN 0.832 nan 8.180 nan 0.000 0.456 1021 C N 3.951 123.506 119.300 0.426 0.000 3.285 1021 C HA 0.635 5.104 4.460 0.014 0.000 0.320 1021 C C -0.683 174.443 174.990 0.226 0.000 1.411 1021 C CA -0.855 58.339 59.018 0.293 0.000 1.429 1021 C CB 2.142 29.983 27.740 0.169 0.000 1.812 1021 C HN 0.636 nan 8.230 nan 0.000 0.454 1022 Q N 1.849 121.728 119.800 0.131 0.000 2.401 1022 Q HA 0.369 4.718 4.340 0.014 0.000 0.260 1022 Q C -0.498 175.498 176.000 -0.007 0.000 1.034 1022 Q CA 0.083 55.902 55.803 0.027 0.000 0.737 1022 Q CB 1.289 30.016 28.738 -0.017 0.000 1.227 1022 Q HN 0.981 nan 8.270 nan 0.000 0.488 1023 K N 0.000 120.380 120.400 -0.033 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.014 0.000 0.191 1023 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 1023 K CB 0.000 32.489 32.500 -0.019 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543