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 1jyx_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 ANIETHGMVP 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 0.000 176.107 176.300 -0.321 0.000 0.893 13 R CA 0.000 55.969 56.100 -0.218 0.000 0.921 13 R CB 0.000 30.171 30.300 -0.216 0.000 0.687 14 R N 1.358 121.529 120.500 -0.548 0.000 3.436 14 R HA 0.139 4.487 4.340 0.014 0.000 0.247 14 R C -0.053 175.682 176.300 -0.941 0.000 1.434 14 R CA -0.269 55.059 56.100 -1.287 0.000 1.543 14 R CB 0.200 29.912 30.300 -0.981 0.000 1.289 14 R HN 0.498 nan 8.270 nan 0.000 0.664 15 D N 0.992 121.085 120.400 -0.512 0.000 2.221 15 D HA -0.211 4.437 4.640 0.014 0.000 0.204 15 D C 1.357 177.602 176.300 -0.092 0.000 0.982 15 D CA 1.243 55.036 54.000 -0.344 0.000 0.857 15 D CB 0.118 40.516 40.800 -0.670 0.000 0.934 15 D HN 0.644 nan 8.370 nan 0.000 0.475 16 W N 1.447 122.770 121.300 0.039 0.000 3.204 16 W HA 0.147 4.815 4.660 0.014 0.000 0.249 16 W C 0.560 177.178 176.519 0.164 0.000 1.322 16 W CA -0.152 57.317 57.345 0.207 0.000 1.593 16 W CB -0.236 29.391 29.460 0.278 0.000 1.122 16 W HN -0.172 nan 8.180 nan 0.000 0.710 17 E N 0.861 120.959 120.200 -0.170 0.000 2.887 17 E HA 0.044 4.402 4.350 0.014 0.000 0.206 17 E C -0.661 175.800 176.600 -0.231 0.000 0.983 17 E CA -0.210 56.104 56.400 -0.144 0.000 1.141 17 E CB -0.128 29.492 29.700 -0.134 0.000 1.061 17 E HN 0.038 nan 8.360 nan 0.000 0.468 18 N N 1.175 119.767 118.700 -0.180 0.000 2.558 18 N HA 0.156 4.905 4.740 0.014 0.000 0.285 18 N C -2.401 172.964 175.510 -0.240 0.000 1.112 18 N CA -2.067 50.842 53.050 -0.237 0.000 0.857 18 N CB 1.564 39.931 38.487 -0.201 0.000 1.376 18 N HN -0.216 nan 8.380 nan 0.000 0.526 19 P HA 0.124 nan 4.420 nan 0.000 0.237 19 P C 1.064 178.126 177.300 -0.398 0.000 1.178 19 P CA 0.445 63.211 63.100 -0.557 0.000 0.766 19 P CB 0.163 31.070 31.700 -1.321 0.000 0.876 20 G N -0.319 108.292 108.800 -0.315 0.000 2.511 20 G HA2 0.007 3.976 3.960 0.014 0.000 0.217 20 G HA3 0.007 3.976 3.960 0.014 0.000 0.217 20 G C 0.339 175.164 174.900 -0.125 0.000 1.133 20 G CA 0.240 45.210 45.100 -0.216 0.000 0.792 20 G HN 0.210 nan 8.290 nan 0.000 0.539 21 V N 1.760 121.622 119.914 -0.086 0.000 2.304 21 V HA 0.289 4.417 4.120 0.014 0.000 0.278 21 V C 0.940 177.095 176.094 0.101 0.000 1.018 21 V CA 0.189 62.492 62.300 0.006 0.000 0.814 21 V CB 1.261 33.078 31.823 -0.010 0.000 1.021 21 V HN 0.354 nan 8.190 nan 0.000 0.440 22 T N 0.981 115.583 114.554 0.081 0.000 3.040 22 T HA 0.359 4.717 4.350 0.014 0.000 0.250 22 T C 0.258 174.991 174.700 0.055 0.000 1.058 22 T CA 0.068 62.210 62.100 0.071 0.000 0.988 22 T CB 0.274 69.143 68.868 0.001 0.000 0.993 22 T HN 0.695 nan 8.240 nan 0.000 0.519 23 Q N 0.067 119.954 119.800 0.145 0.000 2.848 23 Q HA 0.656 5.004 4.340 0.014 0.000 0.288 23 Q C -2.273 173.866 176.000 0.231 0.000 0.907 23 Q CA -1.033 54.849 55.803 0.131 0.000 0.792 23 Q CB 0.714 29.459 28.738 0.011 0.000 1.534 23 Q HN 0.209 nan 8.270 nan 0.000 0.419 24 L N 1.497 122.883 121.223 0.270 0.000 2.470 24 L HA 0.621 4.970 4.340 0.014 0.000 0.268 24 L C -0.553 176.442 176.870 0.209 0.000 0.964 24 L CA -0.884 54.118 54.840 0.270 0.000 0.839 24 L CB 1.937 44.271 42.059 0.457 0.000 1.276 24 L HN 0.840 nan 8.230 nan 0.000 0.403 25 N N 0.726 119.527 118.700 0.169 0.000 2.828 25 N HA -0.207 4.541 4.740 0.014 0.000 0.248 25 N C 0.237 175.864 175.510 0.194 0.000 1.044 25 N CA 0.848 53.989 53.050 0.152 0.000 0.851 25 N CB -0.787 37.733 38.487 0.055 0.000 1.136 25 N HN 0.647 nan 8.380 nan 0.000 0.572 26 R N 0.942 121.495 120.500 0.089 0.000 2.491 26 R HA 0.345 4.694 4.340 0.014 0.000 0.283 26 R C 0.531 176.717 176.300 -0.190 0.000 1.072 26 R CA -0.227 55.711 56.100 -0.269 0.000 1.048 26 R CB 0.481 30.583 30.300 -0.331 0.000 0.983 26 R HN 0.128 nan 8.270 nan 0.000 0.450 27 L N 2.930 124.000 121.223 -0.255 0.000 2.466 27 L HA 0.333 4.682 4.340 0.014 0.000 0.257 27 L C 0.665 177.486 176.870 -0.082 0.000 1.189 27 L CA -0.628 54.150 54.840 -0.103 0.000 0.813 27 L CB 0.812 42.837 42.059 -0.056 0.000 1.118 27 L HN 0.749 nan 8.230 nan 0.000 0.471 28 A N 1.153 123.966 122.820 -0.011 0.000 2.466 28 A HA 0.478 4.806 4.320 0.014 0.000 0.238 28 A C 0.298 177.896 177.584 0.024 0.000 1.074 28 A CA 0.058 52.098 52.037 0.005 0.000 0.774 28 A CB 0.108 19.136 19.000 0.047 0.000 1.015 28 A HN 0.790 nan 8.150 nan 0.000 0.498 29 A N 1.277 124.063 122.820 -0.056 0.000 2.332 29 A HA 0.699 5.028 4.320 0.014 0.000 0.258 29 A C 0.089 177.589 177.584 -0.140 0.000 1.087 29 A CA 0.469 52.397 52.037 -0.181 0.000 0.802 29 A CB -0.023 18.867 19.000 -0.182 0.000 1.042 29 A HN 1.934 nan 8.150 nan 0.000 0.489 30 H N -2.422 116.499 119.070 -0.248 0.000 2.935 30 H HA 0.600 5.165 4.556 0.014 0.000 0.297 30 H C -3.394 171.640 175.328 -0.489 0.000 1.423 30 H CA -1.711 54.127 56.048 -0.351 0.000 1.161 30 H CB 0.067 29.526 29.762 -0.506 0.000 1.841 30 H HN 0.394 nan 8.280 nan 0.000 0.506 31 P HA 0.216 nan 4.420 nan 0.000 0.274 31 P C -2.592 174.477 177.300 -0.385 0.000 1.256 31 P CA -1.501 61.351 63.100 -0.414 0.000 0.795 31 P CB -0.329 31.055 31.700 -0.527 0.000 1.038 32 P HA 0.080 nan 4.420 nan 0.000 0.263 32 P C -0.762 176.685 177.300 0.246 0.000 1.195 32 P CA 1.019 64.113 63.100 -0.010 0.000 0.762 32 P CB -0.144 31.603 31.700 0.079 0.000 0.799 33 F N 1.370 121.429 119.950 0.182 0.000 2.556 33 F HA 0.610 5.145 4.527 0.014 0.000 0.327 33 F C 1.036 176.790 175.800 -0.077 0.000 1.059 33 F CA -1.047 57.015 58.000 0.103 0.000 0.953 33 F CB 2.102 41.112 39.000 0.017 0.000 1.227 33 F HN 0.207 nan 8.300 nan 0.000 0.478 34 A N 0.388 123.191 122.820 -0.030 0.000 2.653 34 A HA 0.242 4.571 4.320 0.014 0.000 0.248 34 A C 0.597 177.931 177.584 -0.417 0.000 1.211 34 A CA 0.351 52.114 52.037 -0.458 0.000 0.991 34 A CB -0.127 18.125 19.000 -1.247 0.000 1.252 34 A HN 0.758 nan 8.150 nan 0.000 0.593 35 S N 0.508 116.087 115.700 -0.201 0.000 3.447 35 S HA -0.153 4.326 4.470 0.014 0.000 0.371 35 S C 0.037 174.612 174.600 -0.041 0.000 0.951 35 S CA 0.455 58.575 58.200 -0.134 0.000 1.269 35 S CB -1.522 61.571 63.200 -0.178 0.000 0.919 35 S HN 0.469 nan 8.310 nan 0.000 0.516 36 W N 1.506 122.794 121.300 -0.021 0.000 2.150 36 W HA 0.325 4.994 4.660 0.014 0.000 0.341 36 W C 1.315 177.826 176.519 -0.014 0.000 1.276 36 W CA -0.651 56.692 57.345 -0.004 0.000 1.238 36 W CB 0.358 29.813 29.460 -0.008 0.000 1.128 36 W HN 0.309 nan 8.180 nan 0.000 0.581 37 R N 1.700 122.351 120.500 0.252 0.000 2.596 37 R HA 0.098 4.446 4.340 0.014 0.000 0.369 37 R C -0.235 176.131 176.300 0.109 0.000 1.042 37 R CA -0.166 56.018 56.100 0.139 0.000 1.120 37 R CB -0.260 30.105 30.300 0.108 0.000 1.353 37 R HN 0.369 nan 8.270 nan 0.000 0.564 38 N N 0.007 118.777 118.700 0.118 0.000 2.454 38 N HA 0.107 4.856 4.740 0.014 0.000 0.291 38 N C -0.114 175.357 175.510 -0.064 0.000 1.079 38 N CA 0.021 53.089 53.050 0.030 0.000 0.893 38 N CB 1.760 40.270 38.487 0.039 0.000 1.512 38 N HN -0.236 nan 8.380 nan 0.000 0.497 39 S N 2.468 118.111 115.700 -0.094 0.000 2.399 39 S HA -0.161 4.318 4.470 0.014 0.000 0.231 39 S C 1.419 175.842 174.600 -0.296 0.000 1.022 39 S CA 1.095 59.192 58.200 -0.172 0.000 0.983 39 S CB 0.008 63.144 63.200 -0.107 0.000 0.803 39 S HN 0.768 nan 8.310 nan 0.000 0.480 40 E N 1.570 121.622 120.200 -0.246 0.000 2.106 40 E HA -0.127 4.231 4.350 0.014 0.000 0.192 40 E C 1.848 178.239 176.600 -0.348 0.000 0.984 40 E CA 0.992 57.210 56.400 -0.302 0.000 0.806 40 E CB -0.099 29.479 29.700 -0.204 0.000 0.750 40 E HN 0.273 nan 8.360 nan 0.000 0.458 41 E N 0.248 120.262 120.200 -0.310 0.000 2.110 41 E HA -0.150 4.209 4.350 0.014 0.000 0.193 41 E C 1.989 178.050 176.600 -0.899 0.000 0.988 41 E CA 1.112 57.299 56.400 -0.356 0.000 0.804 41 E CB -0.467 29.186 29.700 -0.079 0.000 0.745 41 E HN 0.400 nan 8.360 nan 0.000 0.458 42 A N 1.558 123.619 122.820 -1.265 0.000 1.898 42 A HA -0.188 4.141 4.320 0.014 0.000 0.216 42 A C 2.244 179.239 177.584 -0.983 0.000 1.181 42 A CA 1.651 52.612 52.037 -1.793 0.000 0.620 42 A CB -0.504 17.921 19.000 -0.957 0.000 0.819 42 A HN 0.150 nan 8.150 nan 0.000 0.442 43 R N -0.157 119.934 120.500 -0.681 0.000 2.091 43 R HA -0.143 4.205 4.340 0.014 0.000 0.238 43 R C 2.034 178.069 176.300 -0.443 0.000 1.136 43 R CA 2.151 57.901 56.100 -0.584 0.000 0.959 43 R CB -0.493 29.336 30.300 -0.786 0.000 0.856 43 R HN 0.627 nan 8.270 nan 0.000 0.437 44 T N -2.804 111.509 114.554 -0.402 0.000 3.129 44 T HA 0.024 4.383 4.350 0.014 0.000 0.251 44 T C 0.345 174.964 174.700 -0.135 0.000 1.117 44 T CA 0.624 62.584 62.100 -0.234 0.000 1.034 44 T CB 0.029 68.791 68.868 -0.177 0.000 0.968 44 T HN 0.396 nan 8.240 nan 0.000 0.526 45 D N 0.458 120.743 120.400 -0.192 0.000 2.981 45 D HA -0.153 4.495 4.640 0.014 0.000 0.223 45 D C 0.129 176.584 176.300 0.259 0.000 1.151 45 D CA 0.464 54.522 54.000 0.096 0.000 0.827 45 D CB -1.036 39.842 40.800 0.131 0.000 1.101 45 D HN 0.568 nan 8.370 nan 0.000 0.426 46 R N -0.161 120.475 120.500 0.226 0.000 2.583 46 R HA 0.522 4.871 4.340 0.014 0.000 0.268 46 R C -2.131 174.444 176.300 0.458 0.000 1.101 46 R CA -1.412 54.842 56.100 0.255 0.000 1.180 46 R CB 0.235 30.623 30.300 0.147 0.000 1.128 46 R HN 0.041 nan 8.270 nan 0.000 0.568 47 P HA -0.031 nan 4.420 nan 0.000 0.270 47 P C -0.872 176.555 177.300 0.211 0.000 1.223 47 P CA 0.148 63.365 63.100 0.196 0.000 0.785 47 P CB 0.696 32.465 31.700 0.116 0.000 0.923 48 S N 0.893 116.557 115.700 -0.059 0.000 2.454 48 S HA 0.135 4.613 4.470 0.014 0.000 0.306 48 S C 0.901 175.492 174.600 -0.014 0.000 1.100 48 S CA -0.558 57.540 58.200 -0.170 0.000 1.087 48 S CB 0.466 63.267 63.200 -0.666 0.000 1.019 48 S HN 0.217 nan 8.310 nan 0.000 0.480 49 Q N 2.815 122.660 119.800 0.076 0.000 2.364 49 Q HA -0.047 4.302 4.340 0.014 0.000 0.207 49 Q C 0.929 177.058 176.000 0.215 0.000 0.970 49 Q CA 1.126 57.009 55.803 0.133 0.000 0.888 49 Q CB -0.147 28.683 28.738 0.152 0.000 0.951 49 Q HN 0.696 nan 8.270 nan 0.000 0.469 50 Q N -0.134 119.735 119.800 0.114 0.000 2.403 50 Q HA 0.112 4.461 4.340 0.014 0.000 0.203 50 Q C -0.148 175.881 176.000 0.048 0.000 0.932 50 Q CA 0.167 56.027 55.803 0.096 0.000 0.945 50 Q CB 0.345 29.057 28.738 -0.044 0.000 1.045 50 Q HN 0.074 nan 8.270 nan 0.000 0.511 51 L N 0.639 121.883 121.223 0.035 0.000 2.345 51 L HA 0.441 4.789 4.340 0.014 0.000 0.274 51 L C -1.217 175.698 176.870 0.075 0.000 0.999 51 L CA -0.371 54.479 54.840 0.017 0.000 0.849 51 L CB 1.033 43.023 42.059 -0.116 0.000 1.220 51 L HN -0.137 nan 8.230 nan 0.000 0.422 52 R N 2.569 123.154 120.500 0.143 0.000 2.589 52 R HA 0.584 4.932 4.340 0.014 0.000 0.293 52 R C -0.594 175.736 176.300 0.049 0.000 0.963 52 R CA -0.681 55.483 56.100 0.107 0.000 0.905 52 R CB 2.058 32.440 30.300 0.136 0.000 1.144 52 R HN 0.659 nan 8.270 nan 0.000 0.459 53 S N 2.394 118.110 115.700 0.028 0.000 2.525 53 S HA 0.278 4.756 4.470 0.014 0.000 0.278 53 S C 0.669 175.280 174.600 0.017 0.000 1.234 53 S CA -0.628 57.578 58.200 0.011 0.000 1.058 53 S CB 0.537 63.749 63.200 0.019 0.000 0.983 53 S HN 0.556 nan 8.310 nan 0.000 0.495 54 L N 3.611 124.846 121.223 0.019 0.000 2.769 54 L HA 0.288 4.636 4.340 0.014 0.000 0.240 54 L C 0.198 177.217 176.870 0.248 0.000 1.163 54 L CA -0.365 54.520 54.840 0.076 0.000 0.962 54 L CB -0.333 41.743 42.059 0.029 0.000 1.258 54 L HN 0.511 nan 8.230 nan 0.000 0.513 55 N N 1.387 120.170 118.700 0.137 0.000 2.453 55 N HA 0.457 5.205 4.740 0.014 0.000 0.253 55 N C 0.666 176.297 175.510 0.201 0.000 1.252 55 N CA 0.996 54.131 53.050 0.142 0.000 0.917 55 N CB 1.306 39.816 38.487 0.038 0.000 1.117 55 N HN 0.297 nan 8.380 nan 0.000 0.442 56 G N 0.454 109.392 108.800 0.231 0.000 2.247 56 G HA2 -0.085 3.883 3.960 0.014 0.000 0.229 56 G HA3 -0.085 3.883 3.960 0.014 0.000 0.229 56 G C -1.487 173.622 174.900 0.349 0.000 1.345 56 G CA -0.804 44.432 45.100 0.226 0.000 1.100 56 G HN 0.470 nan 8.290 nan 0.000 0.473 57 E N -0.014 120.362 120.200 0.292 0.000 2.259 57 E HA 0.462 4.821 4.350 0.014 0.000 0.281 57 E C -0.872 175.991 176.600 0.437 0.000 1.037 57 E CA -0.049 56.538 56.400 0.312 0.000 0.854 57 E CB 0.938 30.744 29.700 0.178 0.000 1.051 57 E HN 0.363 nan 8.360 nan 0.000 0.409 58 W N 1.530 122.919 121.300 0.150 0.000 3.021 58 W HA 0.420 5.089 4.660 0.014 0.000 0.337 58 W C -0.031 176.613 176.519 0.209 0.000 1.171 58 W CA -0.709 56.754 57.345 0.197 0.000 1.060 58 W CB 0.769 30.398 29.460 0.282 0.000 1.472 58 W HN 0.187 nan 8.180 nan 0.000 0.594 59 R N 1.381 122.169 120.500 0.480 0.000 2.532 59 R HA 0.617 4.965 4.340 0.014 0.000 0.295 59 R C -1.524 175.041 176.300 0.442 0.000 0.968 59 R CA -0.882 55.441 56.100 0.371 0.000 0.916 59 R CB 1.337 31.799 30.300 0.271 0.000 1.124 59 R HN 0.472 nan 8.270 nan 0.000 0.463 60 F N 0.363 120.358 119.950 0.075 0.000 2.608 60 F HA 0.644 5.179 4.527 0.014 0.000 0.309 60 F C -1.664 174.000 175.800 -0.227 0.000 1.103 60 F CA -0.602 57.303 58.000 -0.157 0.000 0.954 60 F CB 1.998 40.779 39.000 -0.365 0.000 1.267 60 F HN 0.616 nan 8.300 nan 0.000 0.444 61 A N 4.245 126.322 122.820 -1.240 0.000 2.422 61 A HA 0.577 4.906 4.320 0.014 0.000 0.302 61 A C -2.447 174.180 177.584 -1.595 0.000 1.041 61 A CA -0.516 50.836 52.037 -1.142 0.000 0.708 61 A CB 0.788 19.406 19.000 -0.638 0.000 1.257 61 A HN 0.962 nan 8.150 nan 0.000 0.414 62 W N 2.994 123.398 121.300 -1.493 0.000 2.433 62 W HA 0.725 5.394 4.660 0.014 0.000 0.315 62 W C -1.754 174.145 176.519 -1.033 0.000 1.087 62 W CA -0.296 56.355 57.345 -1.156 0.000 1.205 62 W CB 0.955 29.975 29.460 -0.733 0.000 1.288 62 W HN 0.508 nan 8.180 nan 0.000 0.504 63 F N 6.499 125.851 119.950 -0.996 0.000 2.579 63 F HA 0.425 4.960 4.527 0.014 0.000 0.324 63 F C -1.277 173.601 175.800 -1.537 0.000 1.058 63 F CA -2.284 55.201 58.000 -0.858 0.000 0.944 63 F CB 1.723 40.362 39.000 -0.603 0.000 1.245 63 F HN 0.206 nan 8.300 nan 0.000 0.477 64 P HA 0.195 nan 4.420 nan 0.000 0.239 64 P C -0.536 176.632 177.300 -0.221 0.000 1.188 64 P CA 0.657 63.468 63.100 -0.481 0.000 0.794 64 P CB 0.861 32.575 31.700 0.025 0.000 0.937 65 A N -0.122 122.588 122.820 -0.182 0.000 2.605 65 A HA 0.519 4.847 4.320 0.014 0.000 0.294 65 A C -2.462 175.025 177.584 -0.161 0.000 1.062 65 A CA -0.996 50.980 52.037 -0.102 0.000 0.682 65 A CB 0.484 19.491 19.000 0.012 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.410 66 P HA -0.111 nan 4.420 nan 0.000 0.220 66 P C 0.654 177.865 177.300 -0.149 0.000 1.148 66 P CA 1.429 64.401 63.100 -0.212 0.000 0.803 66 P CB 0.270 31.822 31.700 -0.246 0.000 0.782 67 E N 0.272 120.441 120.200 -0.051 0.000 2.268 67 E HA -0.041 4.317 4.350 0.014 0.000 0.195 67 E C 2.149 178.681 176.600 -0.114 0.000 0.995 67 E CA 1.155 57.534 56.400 -0.035 0.000 0.836 67 E CB -0.926 28.790 29.700 0.026 0.000 0.763 67 E HN 0.238 nan 8.360 nan 0.000 0.491 68 A N 0.567 123.287 122.820 -0.166 0.000 2.119 68 A HA 0.011 4.339 4.320 0.014 0.000 0.217 68 A C 0.939 178.206 177.584 -0.528 0.000 1.153 68 A CA 0.117 52.041 52.037 -0.189 0.000 0.692 68 A CB -0.031 18.973 19.000 0.007 0.000 0.799 68 A HN 0.066 nan 8.150 nan 0.000 0.458 69 V N 2.688 122.146 119.914 -0.759 0.000 2.521 69 V HA 0.166 4.294 4.120 0.014 0.000 0.286 69 V C -2.175 173.607 176.094 -0.521 0.000 1.034 69 V CA -1.418 60.236 62.300 -1.078 0.000 1.045 69 V CB 0.301 31.550 31.823 -0.957 0.000 0.974 69 V HN 0.300 nan 8.190 nan 0.000 0.480 70 P HA 0.195 nan 4.420 nan 0.000 0.271 70 P C 0.288 177.544 177.300 -0.074 0.000 1.220 70 P CA -0.283 62.724 63.100 -0.156 0.000 0.768 70 P CB 0.984 32.653 31.700 -0.050 0.000 0.848 71 E N 1.608 121.771 120.200 -0.062 0.000 2.085 71 E HA -0.208 4.151 4.350 0.014 0.000 0.194 71 E C 1.933 178.507 176.600 -0.043 0.000 0.994 71 E CA 2.024 58.387 56.400 -0.061 0.000 0.801 71 E CB -1.215 28.454 29.700 -0.052 0.000 0.743 71 E HN 0.592 nan 8.360 nan 0.000 0.453 72 S N -0.023 115.673 115.700 -0.007 0.000 2.420 72 S HA -0.239 4.239 4.470 0.014 0.000 0.237 72 S C 1.813 176.436 174.600 0.037 0.000 1.023 72 S CA 1.078 59.282 58.200 0.008 0.000 0.991 72 S CB -0.845 62.372 63.200 0.028 0.000 0.792 72 S HN 0.567 nan 8.310 nan 0.000 0.488 73 W N 2.080 123.296 121.300 -0.140 0.000 2.465 73 W HA 0.159 4.828 4.660 0.014 0.000 0.268 73 W C 1.594 178.008 176.519 -0.175 0.000 1.242 73 W CA 0.454 57.720 57.345 -0.131 0.000 1.248 73 W CB -0.291 29.072 29.460 -0.162 0.000 1.118 73 W HN 0.261 nan 8.180 nan 0.000 0.587 74 L N 0.279 121.323 121.223 -0.299 0.000 2.131 74 L HA -0.152 4.197 4.340 0.014 0.000 0.210 74 L C 1.655 178.293 176.870 -0.387 0.000 1.092 74 L CA 1.677 56.181 54.840 -0.560 0.000 0.759 74 L CB -0.450 41.303 42.059 -0.510 0.000 0.903 74 L HN -0.023 nan 8.230 nan 0.000 0.435 75 E N -2.510 117.554 120.200 -0.226 0.000 2.601 75 E HA 0.149 4.507 4.350 0.014 0.000 0.219 75 E C -0.501 176.030 176.600 -0.114 0.000 0.964 75 E CA -0.185 56.123 56.400 -0.154 0.000 1.050 75 E CB 0.981 30.628 29.700 -0.088 0.000 1.068 75 E HN 0.200 nan 8.360 nan 0.000 0.496 76 C N 1.109 120.349 119.300 -0.100 0.000 2.551 76 C HA 0.253 4.722 4.460 0.014 0.000 0.332 76 C C -0.573 174.420 174.990 0.006 0.000 1.139 76 C CA -1.537 57.457 59.018 -0.040 0.000 1.328 76 C CB 0.869 28.605 27.740 -0.007 0.000 1.903 76 C HN 0.365 nan 8.230 nan 0.000 0.459 77 D N 1.926 122.339 120.400 0.020 0.000 2.506 77 D HA 0.106 4.754 4.640 0.014 0.000 0.234 77 D C -0.401 175.980 176.300 0.134 0.000 1.143 77 D CA 0.463 54.523 54.000 0.100 0.000 0.871 77 D CB 0.654 41.501 40.800 0.078 0.000 1.190 77 D HN 0.449 nan 8.370 nan 0.000 0.459 78 L N 5.373 126.719 121.223 0.205 0.000 2.281 78 L HA 0.251 4.599 4.340 0.014 0.000 0.285 78 L C -1.227 175.699 176.870 0.093 0.000 1.074 78 L CA -1.578 53.353 54.840 0.151 0.000 0.817 78 L CB 1.189 43.340 42.059 0.153 0.000 1.168 78 L HN 0.505 nan 8.230 nan 0.000 0.434 79 P HA -0.180 nan 4.420 nan 0.000 0.218 79 P C 0.608 177.931 177.300 0.038 0.000 1.146 79 P CA 1.194 64.322 63.100 0.048 0.000 0.813 79 P CB 0.211 31.932 31.700 0.036 0.000 0.778 80 E N -0.688 119.527 120.200 0.025 0.000 2.502 80 E HA 0.253 4.611 4.350 0.014 0.000 0.194 80 E C 0.972 177.566 176.600 -0.010 0.000 1.062 80 E CA -0.102 56.300 56.400 0.002 0.000 0.867 80 E CB -0.515 29.172 29.700 -0.021 0.000 0.888 80 E HN 0.179 nan 8.360 nan 0.000 0.510 81 A N 1.229 124.054 122.820 0.008 0.000 2.366 81 A HA 0.176 4.504 4.320 0.014 0.000 0.250 81 A C -0.022 177.601 177.584 0.066 0.000 1.099 81 A CA -0.187 51.851 52.037 0.002 0.000 0.794 81 A CB 0.325 19.366 19.000 0.068 0.000 1.056 81 A HN 0.003 nan 8.150 nan 0.000 0.499 82 D N -0.832 119.642 120.400 0.122 0.000 2.414 82 D HA 0.534 5.183 4.640 0.014 0.000 0.241 82 D C -0.812 175.607 176.300 0.198 0.000 1.008 82 D CA -0.090 54.011 54.000 0.168 0.000 1.001 82 D CB 1.348 42.286 40.800 0.230 0.000 1.277 82 D HN 0.375 nan 8.370 nan 0.000 0.538 83 T N 0.479 115.129 114.554 0.161 0.000 2.749 83 T HA 0.537 4.896 4.350 0.014 0.000 0.287 83 T C 0.070 174.858 174.700 0.146 0.000 0.970 83 T CA -0.551 61.650 62.100 0.167 0.000 0.980 83 T CB 0.733 69.675 68.868 0.123 0.000 0.924 83 T HN 0.301 nan 8.240 nan 0.000 0.456 84 V N 1.166 121.192 119.914 0.187 0.000 3.159 84 V HA 0.792 4.920 4.120 0.014 0.000 0.308 84 V C -0.504 175.703 176.094 0.189 0.000 1.190 84 V CA -1.041 61.327 62.300 0.114 0.000 1.037 84 V CB 1.684 33.561 31.823 0.089 0.000 1.060 84 V HN 0.511 nan 8.190 nan 0.000 0.437 85 V N 2.058 122.062 119.914 0.149 0.000 2.583 85 V HA 0.499 4.627 4.120 0.014 0.000 0.287 85 V C 0.031 176.212 176.094 0.145 0.000 1.051 85 V CA -0.040 62.357 62.300 0.163 0.000 1.010 85 V CB 1.346 33.244 31.823 0.125 0.000 0.988 85 V HN 0.751 nan 8.190 nan 0.000 0.478 86 V N 7.459 127.385 119.914 0.020 0.000 2.487 86 V HA 0.447 4.575 4.120 0.014 0.000 0.298 86 V C -2.250 173.743 176.094 -0.168 0.000 1.028 86 V CA -1.673 60.498 62.300 -0.214 0.000 0.860 86 V CB 2.418 33.778 31.823 -0.772 0.000 0.991 86 V HN 0.767 nan 8.190 nan 0.000 0.427 87 P HA 0.443 nan 4.420 nan 0.000 0.277 87 P C -0.778 176.458 177.300 -0.107 0.000 1.240 87 P CA -0.081 62.903 63.100 -0.192 0.000 0.798 87 P CB 1.493 33.076 31.700 -0.195 0.000 0.979 88 S N 0.656 116.299 115.700 -0.095 0.000 2.615 88 S HA 0.414 4.893 4.470 0.014 0.000 0.268 88 S C -1.299 173.233 174.600 -0.113 0.000 1.146 88 S CA -1.009 57.122 58.200 -0.115 0.000 0.818 88 S CB 0.506 63.617 63.200 -0.147 0.000 1.111 88 S HN 0.355 nan 8.310 nan 0.000 0.465 89 N N 1.098 119.661 118.700 -0.227 0.000 2.424 89 N HA 0.419 5.167 4.740 0.014 0.000 0.271 89 N C 0.401 175.739 175.510 -0.287 0.000 0.985 89 N CA -0.804 52.080 53.050 -0.276 0.000 0.921 89 N CB 0.729 39.025 38.487 -0.318 0.000 1.149 89 N HN 0.848 nan 8.380 nan 0.000 0.492 90 W N 2.550 123.736 121.300 -0.191 0.000 2.468 90 W HA -0.038 4.631 4.660 0.015 0.000 0.262 90 W C 0.890 177.428 176.519 0.032 0.000 1.241 90 W CA 0.616 57.876 57.345 -0.142 0.000 1.232 90 W CB -0.279 29.070 29.460 -0.185 0.000 1.124 90 W HN 0.506 nan 8.180 nan 0.000 0.597 91 Q N 0.392 120.180 119.800 -0.021 0.000 2.230 91 Q HA -0.063 4.285 4.340 0.014 0.000 0.202 91 Q C 2.138 178.107 176.000 -0.051 0.000 0.963 91 Q CA 1.526 57.336 55.803 0.012 0.000 0.866 91 Q CB -0.456 28.166 28.738 -0.192 0.000 0.931 91 Q HN 0.252 nan 8.270 nan 0.000 0.452 92 M N -0.902 118.614 119.600 -0.140 0.000 2.562 92 M HA -0.021 4.468 4.480 0.014 0.000 0.257 92 M C 0.644 176.978 176.300 0.058 0.000 1.099 92 M CA 1.264 56.488 55.300 -0.126 0.000 1.099 92 M CB -0.487 31.996 32.600 -0.195 0.000 1.427 92 M HN 0.369 nan 8.290 nan 0.000 0.489 93 H N -0.728 118.384 119.070 0.071 0.000 2.551 93 H HA 0.257 4.822 4.556 0.014 0.000 0.271 93 H C 1.291 176.547 175.328 -0.121 0.000 0.984 93 H CA 0.153 56.232 56.048 0.052 0.000 1.164 93 H CB 0.420 30.323 29.762 0.235 0.000 1.437 93 H HN 0.559 nan 8.280 nan 0.000 0.550 94 G N 0.489 109.321 108.800 0.052 0.000 2.143 94 G HA2 -0.365 3.603 3.960 0.014 0.000 0.249 94 G HA3 -0.365 3.603 3.960 0.014 0.000 0.249 94 G C 0.399 175.204 174.900 -0.158 0.000 0.981 94 G CA 0.347 45.406 45.100 -0.067 0.000 0.665 94 G HN 0.474 nan 8.290 nan 0.000 0.528 95 Y N 1.590 121.941 120.300 0.085 0.000 2.293 95 Y HA 0.212 4.771 4.550 0.014 0.000 0.291 95 Y C 1.723 177.455 175.900 -0.281 0.000 1.137 95 Y CA 1.734 59.781 58.100 -0.088 0.000 1.202 95 Y CB 0.177 38.663 38.460 0.044 0.000 0.990 95 Y HN 0.661 nan 8.280 nan 0.000 0.537 96 D N -1.996 118.509 120.400 0.174 0.000 2.692 96 D HA 0.498 5.147 4.640 0.014 0.000 0.303 96 D C -1.219 175.184 176.300 0.171 0.000 1.278 96 D CA -0.828 53.254 54.000 0.136 0.000 0.852 96 D CB 0.805 41.813 40.800 0.347 0.000 1.375 96 D HN -0.049 nan 8.370 nan 0.000 0.453 97 A N -0.107 122.818 122.820 0.175 0.000 2.304 97 A HA 0.729 5.057 4.320 0.014 0.000 0.301 97 A C -2.387 175.244 177.584 0.078 0.000 1.132 97 A CA -1.248 50.869 52.037 0.134 0.000 0.819 97 A CB 0.239 19.379 19.000 0.234 0.000 1.094 97 A HN 0.548 nan 8.150 nan 0.000 0.492 98 P HA 0.463 nan 4.420 nan 0.000 0.278 98 P C -0.949 176.510 177.300 0.266 0.000 1.238 98 P CA 0.084 63.124 63.100 -0.101 0.000 0.794 98 P CB 0.765 32.099 31.700 -0.610 0.000 0.955 99 I N 2.527 123.356 120.570 0.431 0.000 2.465 99 I HA 0.266 4.444 4.170 0.014 0.000 0.291 99 I C -0.594 175.722 176.117 0.332 0.000 1.014 99 I CA -1.011 60.535 61.300 0.410 0.000 1.093 99 I CB 1.721 39.896 38.000 0.291 0.000 1.267 99 I HN 0.289 nan 8.210 nan 0.000 0.431 100 Y N 6.061 126.305 120.300 -0.094 0.000 2.491 100 Y HA 0.528 5.086 4.550 0.014 0.000 0.334 100 Y C -0.362 175.368 175.900 -0.283 0.000 0.969 100 Y CA -0.499 57.253 58.100 -0.580 0.000 1.241 100 Y CB 1.101 38.653 38.460 -1.513 0.000 1.105 100 Y HN 0.546 nan 8.280 nan 0.000 0.503 101 T N 5.092 119.125 114.554 -0.868 0.000 2.900 101 T HA 0.284 4.643 4.350 0.014 0.000 0.295 101 T C 0.116 174.348 174.700 -0.779 0.000 1.044 101 T CA -0.554 61.061 62.100 -0.808 0.000 0.995 101 T CB 1.285 69.926 68.868 -0.378 0.000 1.072 101 T HN 0.894 nan 8.240 nan 0.000 0.473 102 N N 2.242 120.523 118.700 -0.697 0.000 2.288 102 N HA 0.025 4.774 4.740 0.014 0.000 0.199 102 N C 1.427 176.663 175.510 -0.456 0.000 1.043 102 N CA 0.555 53.326 53.050 -0.464 0.000 0.947 102 N CB 0.175 38.406 38.487 -0.427 0.000 1.140 102 N HN 0.360 nan 8.380 nan 0.000 0.490 103 V N 0.753 120.328 119.914 -0.564 0.000 2.436 103 V HA 0.031 4.159 4.120 0.014 0.000 0.240 103 V C 0.585 176.372 176.094 -0.512 0.000 1.040 103 V CA 0.811 62.700 62.300 -0.687 0.000 1.052 103 V CB -0.319 31.004 31.823 -0.833 0.000 0.707 103 V HN 0.378 nan 8.190 nan 0.000 0.469 104 T N 1.061 115.378 114.554 -0.394 0.000 2.908 104 T HA 0.113 4.471 4.350 0.014 0.000 0.301 104 T C -0.328 174.240 174.700 -0.220 0.000 1.019 104 T CA 0.273 62.221 62.100 -0.255 0.000 1.152 104 T CB -0.209 68.540 68.868 -0.198 0.000 0.966 104 T HN 0.173 nan 8.240 nan 0.000 0.540 105 Y N 4.429 124.635 120.300 -0.157 0.000 2.550 105 Y HA 0.137 4.695 4.550 0.014 0.000 0.343 105 Y C -0.784 174.999 175.900 -0.194 0.000 1.245 105 Y CA -1.589 56.413 58.100 -0.163 0.000 1.462 105 Y CB 0.347 38.706 38.460 -0.169 0.000 1.340 105 Y HN 0.502 nan 8.280 nan 0.000 0.604 106 P HA 0.062 nan 4.420 nan 0.000 0.249 106 P C -0.455 176.636 177.300 -0.347 0.000 1.229 106 P CA 0.864 63.870 63.100 -0.157 0.000 0.788 106 P CB 0.107 31.761 31.700 -0.077 0.000 1.072 107 I N -5.058 115.277 120.570 -0.392 0.000 2.892 107 I HA 0.509 4.687 4.170 0.014 0.000 0.306 107 I C -0.489 175.494 176.117 -0.223 0.000 1.078 107 I CA -1.209 59.824 61.300 -0.446 0.000 1.032 107 I CB 1.668 39.242 38.000 -0.711 0.000 1.229 107 I HN -0.458 nan 8.210 nan 0.000 0.435 108 T N 2.863 117.334 114.554 -0.139 0.000 2.934 108 T HA 0.124 4.483 4.350 0.014 0.000 0.306 108 T C 0.236 174.915 174.700 -0.036 0.000 1.042 108 T CA -0.228 61.838 62.100 -0.057 0.000 1.145 108 T CB 0.544 69.403 68.868 -0.014 0.000 0.982 108 T HN 0.391 nan 8.240 nan 0.000 0.544 109 V N 4.769 124.672 119.914 -0.018 0.000 2.403 109 V HA 0.198 4.327 4.120 0.014 0.000 0.265 109 V C 0.742 176.883 176.094 0.078 0.000 1.034 109 V CA -0.025 62.277 62.300 0.004 0.000 1.036 109 V CB -0.294 31.515 31.823 -0.024 0.000 1.032 109 V HN 0.909 nan 8.190 nan 0.000 0.478 110 N N 5.845 124.660 118.700 0.192 0.000 2.725 110 N HA 0.209 4.958 4.740 0.014 0.000 0.225 110 N C -2.944 172.650 175.510 0.140 0.000 1.465 110 N CA -1.058 52.091 53.050 0.165 0.000 0.830 110 N CB 1.258 39.877 38.487 0.219 0.000 1.460 110 N HN 0.290 nan 8.380 nan 0.000 0.538 111 P HA 0.134 nan 4.420 nan 0.000 0.264 111 P C -2.175 174.863 177.300 -0.436 0.000 1.183 111 P CA -0.568 62.118 63.100 -0.689 0.000 0.763 111 P CB 0.517 31.717 31.700 -0.834 0.000 0.807 112 P HA 0.186 nan 4.420 nan 0.000 0.266 112 P C -0.214 176.879 177.300 -0.344 0.000 1.381 112 P CA -0.229 62.555 63.100 -0.526 0.000 0.940 112 P CB 0.068 31.451 31.700 -0.528 0.000 1.435 113 F N 1.169 121.214 119.950 0.158 0.000 2.410 113 F HA 0.236 4.772 4.527 0.015 0.000 0.334 113 F C 1.441 177.413 175.800 0.287 0.000 1.134 113 F CA -0.688 57.426 58.000 0.191 0.000 1.227 113 F CB 0.634 39.696 39.000 0.102 0.000 1.194 113 F HN -0.213 nan 8.300 nan 0.000 0.571 114 V N -0.430 119.756 119.914 0.453 0.000 3.113 114 V HA 0.689 4.817 4.120 0.014 0.000 0.316 114 V C -2.703 173.545 176.094 0.257 0.000 1.125 114 V CA -2.876 59.612 62.300 0.314 0.000 1.026 114 V CB 1.331 33.402 31.823 0.413 0.000 1.080 114 V HN 0.465 nan 8.190 nan 0.000 0.444 115 P HA 0.199 nan 4.420 nan 0.000 0.267 115 P C 1.057 178.489 177.300 0.220 0.000 1.200 115 P CA 0.503 63.684 63.100 0.135 0.000 0.772 115 P CB 0.538 32.276 31.700 0.063 0.000 0.855 116 T N -1.596 113.061 114.554 0.171 0.000 2.821 116 T HA -0.092 4.267 4.350 0.014 0.000 0.267 116 T C 0.493 175.301 174.700 0.181 0.000 1.046 116 T CA 0.930 63.135 62.100 0.175 0.000 1.139 116 T CB -0.517 68.423 68.868 0.119 0.000 0.871 116 T HN 0.250 nan 8.240 nan 0.000 0.454 117 E N 2.980 123.285 120.200 0.174 0.000 2.003 117 E HA 0.399 4.758 4.350 0.014 0.000 0.279 117 E C -0.649 176.112 176.600 0.267 0.000 1.132 117 E CA -0.147 56.366 56.400 0.188 0.000 0.888 117 E CB 0.130 29.939 29.700 0.183 0.000 1.056 117 E HN 0.369 nan 8.360 nan 0.000 0.399 118 N N 4.164 123.001 118.700 0.228 0.000 2.617 118 N HA 0.288 5.036 4.740 0.014 0.000 0.263 118 N C -2.879 172.673 175.510 0.070 0.000 1.074 118 N CA -2.580 50.646 53.050 0.293 0.000 0.841 118 N CB 1.077 39.756 38.487 0.319 0.000 1.221 118 N HN 0.007 nan 8.380 nan 0.000 0.529 119 P HA 0.020 nan 4.420 nan 0.000 0.260 119 P C -0.806 176.362 177.300 -0.221 0.000 1.172 119 P CA 0.531 63.538 63.100 -0.157 0.000 0.760 119 P CB 0.384 32.290 31.700 0.344 0.000 0.773 120 T N 2.565 116.741 114.554 -0.630 0.000 2.824 120 T HA 0.588 4.946 4.350 0.014 0.000 0.282 120 T C 0.198 174.412 174.700 -0.809 0.000 0.993 120 T CA -0.590 61.225 62.100 -0.475 0.000 0.967 120 T CB 1.757 70.406 68.868 -0.366 0.000 0.960 120 T HN 0.329 nan 8.240 nan 0.000 0.441 121 G N 0.849 109.281 108.800 -0.613 0.000 2.384 121 G HA2 0.484 4.453 3.960 0.014 0.000 0.316 121 G HA3 0.484 4.453 3.960 0.014 0.000 0.316 121 G C -0.352 174.441 174.900 -0.179 0.000 1.160 121 G CA -0.338 44.401 45.100 -0.603 0.000 0.936 121 G HN 0.872 nan 8.290 nan 0.000 0.455 122 C N 3.314 122.280 119.300 -0.557 0.000 2.223 122 C HA 0.500 4.969 4.460 0.014 0.000 0.324 122 C C -0.644 174.380 174.990 0.056 0.000 1.196 122 C CA -0.850 57.910 59.018 -0.430 0.000 1.628 122 C CB -1.618 25.474 27.740 -1.081 0.000 2.229 122 C HN 0.633 nan 8.230 nan 0.000 0.486 123 Y N 2.033 122.671 120.300 0.564 0.000 2.409 123 Y HA 0.663 5.222 4.550 0.014 0.000 0.339 123 Y C 0.705 177.102 175.900 0.828 0.000 1.033 123 Y CA -0.245 58.287 58.100 0.720 0.000 1.094 123 Y CB 1.641 40.478 38.460 0.629 0.000 1.210 123 Y HN 0.672 nan 8.280 nan 0.000 0.456 124 S N 2.260 118.489 115.700 0.881 0.000 2.570 124 S HA 0.834 5.312 4.470 0.014 0.000 0.270 124 S C -1.947 172.720 174.600 0.112 0.000 1.149 124 S CA -0.807 57.663 58.200 0.450 0.000 0.837 124 S CB 2.227 65.585 63.200 0.264 0.000 1.124 124 S HN 0.608 nan 8.310 nan 0.000 0.465 125 L N 0.677 121.788 121.223 -0.187 0.000 2.513 125 L HA 0.708 5.056 4.340 0.014 0.000 0.261 125 L C -1.162 175.654 176.870 -0.089 0.000 0.945 125 L CA 0.092 54.682 54.840 -0.417 0.000 0.848 125 L CB 2.381 43.711 42.059 -1.216 0.000 1.334 125 L HN 0.919 nan 8.230 nan 0.000 0.407 126 T N 5.280 119.804 114.554 -0.049 0.000 2.749 126 T HA 0.716 5.075 4.350 0.014 0.000 0.287 126 T C -0.807 173.960 174.700 0.111 0.000 0.970 126 T CA -0.001 62.114 62.100 0.025 0.000 0.980 126 T CB 0.168 69.021 68.868 -0.026 0.000 0.924 126 T HN 0.452 nan 8.240 nan 0.000 0.456 127 F N 1.255 121.132 119.950 -0.122 0.000 2.685 127 F HA 0.802 5.338 4.527 0.014 0.000 0.315 127 F C -1.067 174.684 175.800 -0.083 0.000 1.126 127 F CA -1.398 56.536 58.000 -0.109 0.000 0.950 127 F CB 1.422 40.346 39.000 -0.126 0.000 1.360 127 F HN 0.235 nan 8.300 nan 0.000 0.469 128 N N 0.135 118.788 118.700 -0.079 0.000 2.362 128 N HA 0.704 5.452 4.740 0.014 0.000 0.299 128 N C -1.484 173.976 175.510 -0.082 0.000 1.170 128 N CA -0.703 52.242 53.050 -0.174 0.000 0.825 128 N CB 2.340 40.766 38.487 -0.102 0.000 1.299 128 N HN 0.786 nan 8.380 nan 0.000 0.502 129 V N -1.239 118.581 119.914 -0.157 0.000 2.823 129 V HA 0.533 4.661 4.120 0.014 0.000 0.312 129 V C -0.568 175.329 176.094 -0.328 0.000 1.072 129 V CA -0.974 61.194 62.300 -0.220 0.000 0.937 129 V CB 1.892 33.672 31.823 -0.071 0.000 1.013 129 V HN 0.699 nan 8.190 nan 0.000 0.430 130 D N 2.980 123.021 120.400 -0.598 0.000 2.531 130 D HA -0.082 4.567 4.640 0.014 0.000 0.239 130 D C 1.097 177.221 176.300 -0.295 0.000 1.144 130 D CA 1.110 54.813 54.000 -0.495 0.000 0.869 130 D CB 1.635 42.003 40.800 -0.720 0.000 1.160 130 D HN 0.999 nan 8.370 nan 0.000 0.484 131 E N 2.786 122.894 120.200 -0.153 0.000 2.130 131 E HA -0.273 4.086 4.350 0.014 0.000 0.196 131 E C 1.659 178.256 176.600 -0.005 0.000 0.998 131 E CA 2.344 58.706 56.400 -0.063 0.000 0.806 131 E CB -0.322 29.354 29.700 -0.041 0.000 0.738 131 E HN 0.449 nan 8.360 nan 0.000 0.459 132 S N -0.846 114.853 115.700 -0.002 0.000 2.419 132 S HA -0.150 4.329 4.470 0.014 0.000 0.233 132 S C 1.496 176.210 174.600 0.190 0.000 1.016 132 S CA 0.884 59.136 58.200 0.087 0.000 0.974 132 S CB -0.787 62.477 63.200 0.107 0.000 0.786 132 S HN 0.472 nan 8.310 nan 0.000 0.492 133 W N 1.583 122.758 121.300 -0.207 0.000 2.825 133 W HA 0.366 5.035 4.660 0.014 0.000 0.243 133 W C 1.686 178.187 176.519 -0.029 0.000 1.293 133 W CA -0.584 56.563 57.345 -0.331 0.000 1.403 133 W CB -0.854 28.410 29.460 -0.326 0.000 1.134 133 W HN 0.362 nan 8.180 nan 0.000 0.666 134 L N -0.363 120.989 121.223 0.216 0.000 2.249 134 L HA -0.112 4.236 4.340 0.014 0.000 0.207 134 L C 2.398 179.347 176.870 0.131 0.000 1.090 134 L CA 0.975 55.910 54.840 0.159 0.000 0.802 134 L CB -0.662 41.451 42.059 0.090 0.000 0.947 134 L HN -0.011 nan 8.230 nan 0.000 0.453 135 Q N -0.311 119.560 119.800 0.119 0.000 2.096 135 Q HA 0.065 4.414 4.340 0.014 0.000 0.197 135 Q C 0.144 176.207 176.000 0.105 0.000 0.964 135 Q CA 0.748 56.608 55.803 0.094 0.000 0.838 135 Q CB 0.116 28.898 28.738 0.072 0.000 0.906 135 Q HN 0.315 nan 8.270 nan 0.000 0.444 136 E N -0.549 119.739 120.200 0.147 0.000 2.433 136 E HA 0.512 4.870 4.350 0.014 0.000 0.273 136 E C -0.001 176.739 176.600 0.233 0.000 0.950 136 E CA -0.017 56.470 56.400 0.145 0.000 0.796 136 E CB 1.751 31.525 29.700 0.123 0.000 1.330 136 E HN 0.243 nan 8.360 nan 0.000 0.455 137 G N 1.016 109.871 108.800 0.092 0.000 2.693 137 G HA2 -0.242 3.726 3.960 0.014 0.000 0.226 137 G HA3 -0.242 3.726 3.960 0.014 0.000 0.226 137 G C -0.608 174.206 174.900 -0.143 0.000 1.354 137 G CA 0.090 45.120 45.100 -0.117 0.000 0.873 137 G HN 0.539 nan 8.290 nan 0.000 0.562 138 Q N -0.630 118.898 119.800 -0.452 0.000 2.353 138 Q HA 0.668 5.016 4.340 0.014 0.000 0.268 138 Q C -1.063 174.752 176.000 -0.308 0.000 1.045 138 Q CA -0.489 55.167 55.803 -0.245 0.000 0.811 138 Q CB 1.734 30.366 28.738 -0.176 0.000 1.305 138 Q HN 0.663 nan 8.270 nan 0.000 0.447 139 T N 4.700 119.254 114.554 -0.001 0.000 2.815 139 T HA 0.488 4.847 4.350 0.014 0.000 0.289 139 T C -0.690 174.080 174.700 0.116 0.000 1.000 139 T CA -0.713 61.444 62.100 0.095 0.000 0.958 139 T CB 0.690 69.772 68.868 0.356 0.000 0.944 139 T HN 0.665 nan 8.240 nan 0.000 0.442 140 R N 2.863 123.403 120.500 0.067 0.000 2.873 140 R HA 0.799 5.147 4.340 0.014 0.000 0.264 140 R C -1.160 175.199 176.300 0.098 0.000 1.026 140 R CA -1.004 55.154 56.100 0.097 0.000 1.002 140 R CB 1.585 31.921 30.300 0.060 0.000 1.174 140 R HN 0.575 nan 8.270 nan 0.000 0.488 141 I N 2.197 122.841 120.570 0.122 0.000 2.441 141 I HA 0.443 4.621 4.170 0.014 0.000 0.295 141 I C -1.158 174.987 176.117 0.046 0.000 0.994 141 I CA -1.320 60.014 61.300 0.057 0.000 1.144 141 I CB 1.475 39.517 38.000 0.070 0.000 1.314 141 I HN 0.617 nan 8.210 nan 0.000 0.445 142 I N 7.384 127.876 120.570 -0.129 0.000 2.439 142 I HA 0.281 4.460 4.170 0.014 0.000 0.285 142 I C -1.261 174.658 176.117 -0.331 0.000 1.021 142 I CA -0.355 60.872 61.300 -0.121 0.000 1.091 142 I CB 1.418 39.359 38.000 -0.098 0.000 1.242 142 I HN 0.387 nan 8.210 nan 0.000 0.439 143 F N 4.651 124.582 119.950 -0.031 0.000 2.313 143 F HA 0.257 4.793 4.527 0.014 0.000 0.369 143 F C 1.344 177.033 175.800 -0.185 0.000 1.109 143 F CA -0.341 57.576 58.000 -0.139 0.000 1.132 143 F CB 0.696 39.596 39.000 -0.166 0.000 1.291 143 F HN 0.466 nan 8.300 nan 0.000 0.496 144 D N 2.328 122.626 120.400 -0.171 0.000 2.269 144 D HA 0.052 4.701 4.640 0.014 0.000 0.208 144 D C 0.996 177.127 176.300 -0.282 0.000 0.963 144 D CA 0.805 54.671 54.000 -0.223 0.000 0.864 144 D CB 0.446 41.057 40.800 -0.314 0.000 0.936 144 D HN 0.609 nan 8.370 nan 0.000 0.505 145 G N -0.279 108.290 108.800 -0.385 0.000 2.552 145 G HA2 0.444 4.413 3.960 0.014 0.000 0.288 145 G HA3 0.444 4.413 3.960 0.014 0.000 0.288 145 G C -1.407 173.224 174.900 -0.448 0.000 1.358 145 G CA -0.381 44.371 45.100 -0.580 0.000 1.305 145 G HN -0.068 nan 8.290 nan 0.000 0.602 146 V N 2.612 122.494 119.914 -0.054 0.000 2.482 146 V HA 0.468 4.596 4.120 0.014 0.000 0.295 146 V C -0.775 175.421 176.094 0.169 0.000 1.026 146 V CA -1.211 61.076 62.300 -0.022 0.000 0.856 146 V CB 1.780 33.392 31.823 -0.351 0.000 1.001 146 V HN 0.687 nan 8.190 nan 0.000 0.424 147 N N 2.694 121.489 118.700 0.158 0.000 2.469 147 N HA 0.308 5.056 4.740 0.014 0.000 0.253 147 N C 0.713 176.150 175.510 -0.123 0.000 0.970 147 N CA 0.295 53.325 53.050 -0.034 0.000 0.940 147 N CB 2.118 40.403 38.487 -0.337 0.000 1.128 147 N HN 0.691 nan 8.380 nan 0.000 0.503 148 S N 2.220 117.883 115.700 -0.062 0.000 2.524 148 S HA 0.540 5.018 4.470 0.014 0.000 0.222 148 S C 0.340 174.987 174.600 0.077 0.000 1.040 148 S CA 0.205 58.414 58.200 0.016 0.000 0.915 148 S CB 0.311 63.525 63.200 0.024 0.000 0.831 148 S HN 0.628 nan 8.310 nan 0.000 0.492 149 A N 0.692 123.568 122.820 0.092 0.000 2.606 149 A HA 0.776 5.104 4.320 0.014 0.000 0.293 149 A C -1.289 176.369 177.584 0.124 0.000 1.082 149 A CA -0.897 51.157 52.037 0.028 0.000 0.685 149 A CB 0.906 19.953 19.000 0.078 0.000 1.284 149 A HN 1.197 nan 8.150 nan 0.000 0.408 150 F N -0.556 119.207 119.950 -0.311 0.000 2.744 150 F HA 0.705 5.241 4.527 0.014 0.000 0.311 150 F C -1.343 174.338 175.800 -0.197 0.000 1.144 150 F CA -0.770 57.139 58.000 -0.151 0.000 0.938 150 F CB 1.054 39.957 39.000 -0.161 0.000 1.292 150 F HN 0.636 nan 8.300 nan 0.000 0.444 151 H N 2.061 121.262 119.070 0.218 0.000 2.472 151 H HA 0.724 5.288 4.556 0.014 0.000 0.338 151 H C -1.410 173.882 175.328 -0.060 0.000 1.133 151 H CA -0.707 55.338 56.048 -0.005 0.000 1.216 151 H CB 2.461 32.221 29.762 -0.003 0.000 1.497 151 H HN 0.801 nan 8.280 nan 0.000 0.500 152 L N 2.959 123.932 121.223 -0.417 0.000 2.386 152 L HA 0.430 4.779 4.340 0.014 0.000 0.271 152 L C -1.616 174.945 176.870 -0.514 0.000 0.993 152 L CA -0.469 54.200 54.840 -0.286 0.000 0.819 152 L CB 1.549 43.349 42.059 -0.431 0.000 1.294 152 L HN 0.525 nan 8.230 nan 0.000 0.414 153 W N 4.028 125.282 121.300 -0.077 0.000 2.950 153 W HA 0.619 5.287 4.660 0.014 0.000 0.340 153 W C -1.258 175.201 176.519 -0.101 0.000 1.139 153 W CA -0.831 56.458 57.345 -0.094 0.000 1.188 153 W CB 2.071 31.525 29.460 -0.009 0.000 1.426 153 W HN 0.628 nan 8.180 nan 0.000 0.531 154 C N 3.777 123.163 119.300 0.143 0.000 2.481 154 C HA 0.308 4.777 4.460 0.014 0.000 0.324 154 C C 0.189 175.308 174.990 0.214 0.000 1.170 154 C CA -0.359 58.745 59.018 0.144 0.000 1.361 154 C CB -0.263 27.512 27.740 0.057 0.000 1.977 154 C HN 0.817 nan 8.230 nan 0.000 0.459 155 N N 3.365 122.145 118.700 0.135 0.000 2.721 155 N HA -0.189 4.560 4.740 0.014 0.000 0.249 155 N C 0.964 176.539 175.510 0.109 0.000 1.072 155 N CA 2.140 55.245 53.050 0.091 0.000 0.710 155 N CB -1.354 37.195 38.487 0.103 0.000 0.993 155 N HN 1.909 nan 8.380 nan 0.000 0.547 156 G N -1.230 107.628 108.800 0.096 0.000 2.184 156 G HA2 -0.385 3.583 3.960 0.014 0.000 0.264 156 G HA3 -0.385 3.583 3.960 0.014 0.000 0.264 156 G C 0.093 175.156 174.900 0.273 0.000 0.975 156 G CA 0.773 45.927 45.100 0.090 0.000 0.642 156 G HN 0.642 nan 8.290 nan 0.000 0.536 157 R N -1.107 119.622 120.500 0.382 0.000 2.474 157 R HA 0.484 4.832 4.340 0.014 0.000 0.295 157 R C -0.101 176.534 176.300 0.557 0.000 0.980 157 R CA -0.911 55.488 56.100 0.499 0.000 0.934 157 R CB 1.155 31.744 30.300 0.481 0.000 1.101 157 R HN 0.172 nan 8.270 nan 0.000 0.469 158 W N 3.186 124.673 121.300 0.312 0.000 2.264 158 W HA 0.065 4.733 4.660 0.014 0.000 0.331 158 W C 0.145 176.554 176.519 -0.183 0.000 1.364 158 W CA 0.072 57.280 57.345 -0.229 0.000 1.253 158 W CB 0.651 29.973 29.460 -0.229 0.000 1.215 158 W HN 0.371 nan 8.180 nan 0.000 0.561 159 V N 5.284 124.469 119.914 -1.215 0.000 2.627 159 V HA 0.534 4.662 4.120 0.014 0.000 0.239 159 V C 1.075 176.191 176.094 -1.630 0.000 1.077 159 V CA 1.074 62.640 62.300 -1.224 0.000 1.103 159 V CB -0.507 30.633 31.823 -1.138 0.000 0.802 159 V HN 0.807 nan 8.190 nan 0.000 0.482 160 G N -1.817 105.779 108.800 -2.006 0.000 2.428 160 G HA2 0.469 4.438 3.960 0.014 0.000 0.304 160 G HA3 0.469 4.438 3.960 0.014 0.000 0.304 160 G C -2.461 171.869 174.900 -0.951 0.000 1.303 160 G CA -0.328 43.864 45.100 -1.513 0.000 0.825 160 G HN -0.003 nan 8.290 nan 0.000 0.484 161 Y N -0.399 119.558 120.300 -0.571 0.000 2.553 161 Y HA 0.740 5.299 4.550 0.014 0.000 0.347 161 Y C 0.032 175.686 175.900 -0.410 0.000 1.019 161 Y CA -0.099 57.654 58.100 -0.578 0.000 1.032 161 Y CB 2.330 40.622 38.460 -0.279 0.000 1.284 161 Y HN 1.170 nan 8.280 nan 0.000 0.466 162 G N 3.611 111.597 108.800 -1.358 0.000 2.718 162 G HA2 0.577 4.546 3.960 0.014 0.000 0.295 162 G HA3 0.577 4.546 3.960 0.014 0.000 0.295 162 G C -2.136 172.316 174.900 -0.747 0.000 1.421 162 G CA -0.947 43.680 45.100 -0.789 0.000 0.902 162 G HN 0.623 nan 8.290 nan 0.000 0.501 163 Q N -0.160 119.435 119.800 -0.340 0.000 2.552 163 Q HA 0.622 4.970 4.340 0.014 0.000 0.289 163 Q C -1.394 174.595 176.000 -0.019 0.000 1.097 163 Q CA -0.886 54.837 55.803 -0.134 0.000 0.812 163 Q CB 2.760 31.468 28.738 -0.050 0.000 1.460 163 Q HN 0.625 nan 8.270 nan 0.000 0.452 164 D N -0.181 120.245 120.400 0.044 0.000 4.030 164 D HA -0.094 4.555 4.640 0.014 0.000 0.222 164 D C -0.541 175.814 176.300 0.092 0.000 1.288 164 D CA 0.333 54.376 54.000 0.072 0.000 0.865 164 D CB -0.526 40.301 40.800 0.045 0.000 0.486 164 D HN 0.547 nan 8.370 nan 0.000 0.213 165 S N 3.273 119.040 115.700 0.112 0.000 2.547 165 S HA -0.061 4.418 4.470 0.014 0.000 0.235 165 S C 1.532 176.254 174.600 0.204 0.000 0.980 165 S CA 0.593 58.886 58.200 0.156 0.000 0.941 165 S CB 0.242 63.495 63.200 0.089 0.000 0.763 165 S HN 0.461 nan 8.310 nan 0.000 0.532 166 R N 0.072 120.653 120.500 0.136 0.000 2.565 166 R HA 0.418 4.767 4.340 0.014 0.000 0.347 166 R C -0.453 175.898 176.300 0.084 0.000 1.010 166 R CA 0.047 56.226 56.100 0.132 0.000 1.126 166 R CB 0.253 30.641 30.300 0.146 0.000 1.331 166 R HN 0.314 nan 8.270 nan 0.000 0.552 167 L N 1.765 123.013 121.223 0.042 0.000 2.354 167 L HA 0.527 4.875 4.340 0.014 0.000 0.264 167 L C -2.375 174.469 176.870 -0.044 0.000 1.008 167 L CA -2.313 52.522 54.840 -0.008 0.000 0.819 167 L CB 2.778 44.825 42.059 -0.020 0.000 1.339 167 L HN -0.216 nan 8.230 nan 0.000 0.420 168 P HA 0.114 nan 4.420 nan 0.000 0.275 168 P C -0.961 176.292 177.300 -0.079 0.000 1.227 168 P CA -0.245 62.801 63.100 -0.090 0.000 0.781 168 P CB 1.189 32.799 31.700 -0.150 0.000 0.906 169 S N 1.897 117.606 115.700 0.015 0.000 2.433 169 S HA 0.301 4.779 4.470 0.014 0.000 0.310 169 S C -0.367 174.152 174.600 -0.135 0.000 1.097 169 S CA -0.540 57.624 58.200 -0.061 0.000 1.103 169 S CB 0.583 63.923 63.200 0.234 0.000 0.992 169 S HN 0.355 nan 8.310 nan 0.000 0.469 170 E N 2.141 122.059 120.200 -0.470 0.000 2.212 170 E HA 0.558 4.916 4.350 0.014 0.000 0.268 170 E C -1.430 174.751 176.600 -0.699 0.000 0.902 170 E CA -0.562 55.629 56.400 -0.348 0.000 0.779 170 E CB 1.657 31.279 29.700 -0.130 0.000 1.172 170 E HN 0.414 nan 8.360 nan 0.000 0.409 171 F N 0.678 120.680 119.950 0.087 0.000 2.556 171 F HA 0.199 4.735 4.527 0.015 0.000 0.314 171 F C -0.010 175.813 175.800 0.038 0.000 1.106 171 F CA -1.136 56.882 58.000 0.030 0.000 0.911 171 F CB 1.569 40.553 39.000 -0.027 0.000 1.190 171 F HN 0.282 nan 8.300 nan 0.000 0.448 172 D N 3.167 123.691 120.400 0.206 0.000 2.339 172 D HA 0.195 4.844 4.640 0.014 0.000 0.256 172 D C 0.350 176.792 176.300 0.238 0.000 1.214 172 D CA 0.305 54.412 54.000 0.178 0.000 0.877 172 D CB 1.028 41.919 40.800 0.152 0.000 1.111 172 D HN 0.587 nan 8.370 nan 0.000 0.478 173 L N 2.840 124.210 121.223 0.244 0.000 2.640 173 L HA 0.016 4.365 4.340 0.014 0.000 0.230 173 L C 2.042 179.161 176.870 0.415 0.000 1.123 173 L CA -0.117 54.922 54.840 0.331 0.000 0.900 173 L CB 0.060 42.282 42.059 0.273 0.000 1.146 173 L HN 0.288 nan 8.230 nan 0.000 0.484 174 S N 1.342 117.220 115.700 0.297 0.000 2.392 174 S HA -0.250 4.229 4.470 0.014 0.000 0.232 174 S C 2.002 176.718 174.600 0.193 0.000 1.041 174 S CA 1.690 60.025 58.200 0.224 0.000 1.026 174 S CB -0.134 63.152 63.200 0.143 0.000 0.845 174 S HN 0.555 nan 8.310 nan 0.000 0.465 175 A N -0.482 122.445 122.820 0.178 0.000 2.251 175 A HA 0.378 4.707 4.320 0.014 0.000 0.209 175 A C 1.290 178.763 177.584 -0.184 0.000 1.187 175 A CA 0.213 52.215 52.037 -0.059 0.000 0.823 175 A CB -0.372 18.469 19.000 -0.264 0.000 0.846 175 A HN 0.461 nan 8.150 nan 0.000 0.486 176 F N -0.508 119.494 119.950 0.087 0.000 2.653 176 F HA 0.339 4.875 4.527 0.014 0.000 0.288 176 F C 0.792 176.636 175.800 0.075 0.000 1.121 176 F CA -0.378 57.672 58.000 0.083 0.000 1.384 176 F CB -0.262 38.796 39.000 0.097 0.000 1.115 176 F HN -0.046 nan 8.300 nan 0.000 0.599 177 L N 1.822 123.211 121.223 0.278 0.000 2.473 177 L HA 0.250 4.598 4.340 0.014 0.000 0.268 177 L C 0.545 177.462 176.870 0.077 0.000 1.215 177 L CA -0.026 54.913 54.840 0.165 0.000 0.823 177 L CB 0.305 42.485 42.059 0.201 0.000 1.099 177 L HN 0.143 nan 8.230 nan 0.000 0.483 178 R N 1.285 121.787 120.500 0.004 0.000 2.799 178 R HA 0.798 5.146 4.340 0.014 0.000 0.270 178 R C -1.295 174.978 176.300 -0.045 0.000 1.010 178 R CA -0.915 55.178 56.100 -0.012 0.000 0.916 178 R CB 1.501 31.788 30.300 -0.022 0.000 1.228 178 R HN 0.550 nan 8.270 nan 0.000 0.469 179 A N 0.816 123.615 122.820 -0.035 0.000 2.425 179 A HA 0.567 4.896 4.320 0.014 0.000 0.249 179 A C 0.926 178.465 177.584 -0.076 0.000 1.084 179 A CA 0.921 52.927 52.037 -0.052 0.000 0.781 179 A CB -0.339 18.640 19.000 -0.035 0.000 1.019 179 A HN 1.415 nan 8.150 nan 0.000 0.490 180 G N 1.418 110.160 108.800 -0.098 0.000 2.516 180 G HA2 -0.114 3.855 3.960 0.014 0.000 0.220 180 G HA3 -0.114 3.855 3.960 0.014 0.000 0.220 180 G C -0.352 174.447 174.900 -0.168 0.000 1.165 180 G CA -0.009 45.025 45.100 -0.110 0.000 1.013 180 G HN 0.922 nan 8.290 nan 0.000 0.590 181 E N 1.515 121.616 120.200 -0.164 0.000 2.259 181 E HA 0.444 4.802 4.350 0.014 0.000 0.281 181 E C -0.202 176.231 176.600 -0.278 0.000 1.027 181 E CA -0.369 55.903 56.400 -0.213 0.000 0.838 181 E CB 0.769 30.387 29.700 -0.136 0.000 1.066 181 E HN 0.407 nan 8.360 nan 0.000 0.401 182 N N 2.233 120.640 118.700 -0.489 0.000 2.312 182 N HA 0.445 5.194 4.740 0.014 0.000 0.296 182 N C -0.912 174.380 175.510 -0.363 0.000 1.193 182 N CA -0.732 52.003 53.050 -0.525 0.000 0.773 182 N CB 2.355 40.268 38.487 -0.957 0.000 1.435 182 N HN 0.300 nan 8.380 nan 0.000 0.484 183 R N 1.462 121.910 120.500 -0.086 0.000 2.574 183 R HA 0.489 4.838 4.340 0.014 0.000 0.288 183 R C -1.556 174.832 176.300 0.146 0.000 1.004 183 R CA -0.478 55.650 56.100 0.046 0.000 0.895 183 R CB 0.932 31.209 30.300 -0.039 0.000 1.191 183 R HN 0.458 nan 8.270 nan 0.000 0.444 184 L N 2.877 124.209 121.223 0.181 0.000 2.344 184 L HA 0.830 5.179 4.340 0.014 0.000 0.272 184 L C -0.319 176.610 176.870 0.098 0.000 1.035 184 L CA -1.023 53.923 54.840 0.176 0.000 0.807 184 L CB 2.067 44.230 42.059 0.173 0.000 1.237 184 L HN 0.840 nan 8.230 nan 0.000 0.442 185 A N 2.431 125.323 122.820 0.120 0.000 2.357 185 A HA 0.718 5.046 4.320 0.014 0.000 0.295 185 A C -1.105 176.754 177.584 0.458 0.000 1.121 185 A CA -0.437 51.575 52.037 -0.041 0.000 0.742 185 A CB 1.309 19.893 19.000 -0.693 0.000 1.181 185 A HN 0.355 nan 8.150 nan 0.000 0.454 186 V N 3.700 124.040 119.914 0.710 0.000 2.378 186 V HA 0.498 4.627 4.120 0.014 0.000 0.288 186 V C 0.023 176.647 176.094 0.883 0.000 1.016 186 V CA -0.318 62.389 62.300 0.679 0.000 0.840 186 V CB 1.447 33.476 31.823 0.343 0.000 0.994 186 V HN 0.954 nan 8.190 nan 0.000 0.431 187 M N 6.417 126.554 119.600 0.895 0.000 2.066 187 M HA 0.604 5.092 4.480 0.014 0.000 0.340 187 M C -1.619 174.940 176.300 0.431 0.000 1.053 187 M CA -0.336 55.324 55.300 0.600 0.000 0.983 187 M CB 1.272 34.250 32.600 0.631 0.000 1.520 187 M HN 0.441 nan 8.290 nan 0.000 0.428 188 V N 6.753 126.876 119.914 0.349 0.000 2.394 188 V HA 0.393 4.522 4.120 0.014 0.000 0.282 188 V C -0.074 176.168 176.094 0.247 0.000 1.031 188 V CA -0.689 61.809 62.300 0.331 0.000 0.881 188 V CB 1.430 33.516 31.823 0.437 0.000 0.982 188 V HN 0.832 nan 8.190 nan 0.000 0.451 189 L N 4.870 126.173 121.223 0.132 0.000 2.305 189 L HA 0.497 4.846 4.340 0.014 0.000 0.281 189 L C 1.558 178.437 176.870 0.014 0.000 1.085 189 L CA -0.279 54.566 54.840 0.008 0.000 0.813 189 L CB 0.923 42.883 42.059 -0.166 0.000 1.157 189 L HN 0.629 nan 8.230 nan 0.000 0.436 190 R N 2.678 123.141 120.500 -0.061 0.000 2.066 190 R HA -0.038 4.311 4.340 0.014 0.000 0.232 190 R C -0.309 175.613 176.300 -0.630 0.000 1.131 190 R CA 1.239 57.072 56.100 -0.446 0.000 0.955 190 R CB 0.192 30.118 30.300 -0.624 0.000 0.851 190 R HN 0.564 nan 8.270 nan 0.000 0.432 191 W N 0.135 121.504 121.300 0.116 0.000 2.627 191 W HA 0.423 5.091 4.660 0.014 0.000 0.339 191 W C -0.295 176.345 176.519 0.201 0.000 1.058 191 W CA -0.698 56.725 57.345 0.130 0.000 1.223 191 W CB 1.738 31.280 29.460 0.136 0.000 1.389 191 W HN 0.046 nan 8.180 nan 0.000 0.541 192 S N -1.115 114.876 115.700 0.487 0.000 2.672 192 S HA 0.190 4.668 4.470 0.014 0.000 0.271 192 S C 0.040 174.904 174.600 0.440 0.000 1.171 192 S CA -0.472 58.020 58.200 0.486 0.000 0.817 192 S CB 1.114 64.568 63.200 0.423 0.000 1.150 192 S HN 0.624 nan 8.310 nan 0.000 0.478 193 D N 0.416 121.074 120.400 0.430 0.000 2.263 193 D HA 0.066 4.715 4.640 0.014 0.000 0.208 193 D C 1.755 178.370 176.300 0.525 0.000 0.971 193 D CA 1.179 55.475 54.000 0.494 0.000 0.867 193 D CB -0.681 40.261 40.800 0.235 0.000 0.929 193 D HN 0.711 nan 8.370 nan 0.000 0.492 194 G N 0.122 109.146 108.800 0.373 0.000 2.448 194 G HA2 -0.257 3.712 3.960 0.014 0.000 0.219 194 G HA3 -0.257 3.712 3.960 0.014 0.000 0.219 194 G C 1.696 176.793 174.900 0.329 0.000 1.127 194 G CA 0.684 45.979 45.100 0.325 0.000 0.766 194 G HN 0.309 nan 8.290 nan 0.000 0.552 195 S N -0.042 115.840 115.700 0.304 0.000 2.419 195 S HA -0.120 4.358 4.470 0.014 0.000 0.235 195 S C 1.900 176.618 174.600 0.197 0.000 1.019 195 S CA 0.765 59.111 58.200 0.243 0.000 0.982 195 S CB -0.422 62.939 63.200 0.268 0.000 0.789 195 S HN 0.558 nan 8.310 nan 0.000 0.490 196 Y N 1.165 121.626 120.300 0.268 0.000 2.403 196 Y HA 0.023 4.581 4.550 0.014 0.000 0.291 196 Y C 1.632 177.653 175.900 0.202 0.000 1.143 196 Y CA 0.713 58.895 58.100 0.136 0.000 1.257 196 Y CB -0.176 38.256 38.460 -0.047 0.000 0.984 196 Y HN 0.204 nan 8.280 nan 0.000 0.550 197 L N -0.349 121.083 121.223 0.348 0.000 2.667 197 L HA 0.132 4.481 4.340 0.014 0.000 0.232 197 L C -0.048 176.965 176.870 0.238 0.000 1.138 197 L CA 0.365 55.360 54.840 0.258 0.000 0.921 197 L CB 0.103 42.320 42.059 0.263 0.000 1.180 197 L HN 0.143 nan 8.230 nan 0.000 0.487 198 E N -0.155 120.197 120.200 0.253 0.000 3.846 198 E HA 0.040 4.399 4.350 0.014 0.000 0.216 198 E C -0.426 176.278 176.600 0.174 0.000 1.092 198 E CA -0.072 56.457 56.400 0.215 0.000 1.370 198 E CB 0.517 30.334 29.700 0.195 0.000 1.227 198 E HN 0.016 nan 8.360 nan 0.000 0.442 199 D N 1.021 121.480 120.400 0.099 0.000 2.434 199 D HA 0.014 4.662 4.640 0.014 0.000 0.232 199 D C -0.105 176.181 176.300 -0.023 0.000 1.166 199 D CA -0.032 53.904 54.000 -0.107 0.000 0.830 199 D CB 0.201 40.675 40.800 -0.544 0.000 0.960 199 D HN 0.093 nan 8.370 nan 0.000 0.497 200 Q N 0.510 120.395 119.800 0.141 0.000 2.386 200 Q HA 0.055 4.404 4.340 0.014 0.000 0.282 200 Q C -0.045 176.081 176.000 0.209 0.000 1.050 200 Q CA 0.240 56.200 55.803 0.262 0.000 0.918 200 Q CB 0.533 29.566 28.738 0.492 0.000 1.266 200 Q HN 0.044 nan 8.270 nan 0.000 0.423 201 D N 3.258 123.809 120.400 0.252 0.000 2.489 201 D HA 0.122 4.771 4.640 0.014 0.000 0.237 201 D C -0.779 175.666 176.300 0.243 0.000 1.212 201 D CA 0.211 54.330 54.000 0.198 0.000 1.058 201 D CB -0.473 40.425 40.800 0.164 0.000 1.098 201 D HN 0.472 nan 8.370 nan 0.000 0.509 202 M N 0.005 119.719 119.600 0.190 0.000 2.949 202 M HA 0.388 4.876 4.480 0.014 0.000 0.270 202 M C -1.229 175.178 176.300 0.178 0.000 1.221 202 M CA -1.184 54.165 55.300 0.082 0.000 0.818 202 M CB 0.991 33.571 32.600 -0.034 0.000 1.635 202 M HN -0.115 nan 8.290 nan 0.000 0.492 203 W N 1.945 123.321 121.300 0.127 0.000 2.193 203 W HA 0.294 4.962 4.660 0.014 0.000 0.338 203 W C 0.287 176.828 176.519 0.037 0.000 1.310 203 W CA 0.025 57.445 57.345 0.125 0.000 1.243 203 W CB 0.368 29.835 29.460 0.012 0.000 1.165 203 W HN 0.297 nan 8.180 nan 0.000 0.566 204 R N 4.724 125.409 120.500 0.307 0.000 2.204 204 R HA 0.439 4.787 4.340 0.014 0.000 0.341 204 R C -0.188 176.120 176.300 0.014 0.000 1.035 204 R CA -0.257 55.935 56.100 0.153 0.000 0.887 204 R CB 0.274 30.729 30.300 0.258 0.000 1.114 204 R HN 0.560 nan 8.270 nan 0.000 0.473 205 M N 0.254 119.747 119.600 -0.178 0.000 2.777 205 M HA 0.524 5.012 4.480 0.014 0.000 0.288 205 M C -0.084 175.873 176.300 -0.572 0.000 1.181 205 M CA -0.846 54.235 55.300 -0.365 0.000 0.758 205 M CB 2.367 34.747 32.600 -0.366 0.000 1.757 205 M HN 0.642 nan 8.290 nan 0.000 0.453 206 S N -1.180 114.045 115.700 -0.792 0.000 2.636 206 S HA 0.965 5.443 4.470 0.014 0.000 0.268 206 S C -0.643 173.436 174.600 -0.870 0.000 1.159 206 S CA -0.180 57.481 58.200 -0.899 0.000 0.815 206 S CB 1.868 64.386 63.200 -1.137 0.000 1.130 206 S HN 1.465 nan 8.310 nan 0.000 0.471 207 G N -0.185 108.342 108.800 -0.454 0.000 2.347 207 G HA2 0.217 4.186 3.960 0.014 0.000 0.341 207 G HA3 0.217 4.186 3.960 0.014 0.000 0.341 207 G C -1.425 173.457 174.900 -0.029 0.000 1.287 207 G CA -0.662 44.437 45.100 -0.001 0.000 0.984 207 G HN 1.121 nan 8.290 nan 0.000 0.526 208 I N 2.119 122.515 120.570 -0.289 0.000 2.227 208 I HA 0.236 4.415 4.170 0.014 0.000 0.297 208 I C 1.276 177.251 176.117 -0.238 0.000 1.173 208 I CA -0.167 60.859 61.300 -0.457 0.000 1.356 208 I CB -0.327 37.125 38.000 -0.912 0.000 1.485 208 I HN 0.502 nan 8.210 nan 0.000 0.604 209 F N 3.722 123.510 119.950 -0.271 0.000 2.765 209 F HA 0.418 4.953 4.527 0.014 0.000 0.302 209 F C 0.788 176.494 175.800 -0.157 0.000 1.111 209 F CA -0.532 57.342 58.000 -0.209 0.000 1.359 209 F CB 0.074 38.953 39.000 -0.201 0.000 1.097 209 F HN 0.120 nan 8.300 nan 0.000 0.577 210 R N 0.643 120.662 120.500 -0.801 0.000 2.919 210 R HA 0.228 4.576 4.340 0.014 0.000 0.260 210 R C -0.698 175.370 176.300 -0.387 0.000 1.067 210 R CA -1.183 54.569 56.100 -0.580 0.000 1.003 210 R CB 0.785 30.683 30.300 -0.670 0.000 1.192 210 R HN -0.029 nan 8.270 nan 0.000 0.488 211 D N 0.768 120.990 120.400 -0.297 0.000 2.478 211 D HA 0.053 4.702 4.640 0.014 0.000 0.234 211 D C -0.521 175.616 176.300 -0.273 0.000 1.154 211 D CA 0.564 54.428 54.000 -0.228 0.000 0.874 211 D CB 0.670 41.368 40.800 -0.171 0.000 1.198 211 D HN -0.006 nan 8.370 nan 0.000 0.455 212 V N 1.354 121.120 119.914 -0.248 0.000 2.487 212 V HA 0.553 4.681 4.120 0.014 0.000 0.298 212 V C 0.078 176.042 176.094 -0.217 0.000 1.028 212 V CA -0.552 61.543 62.300 -0.343 0.000 0.860 212 V CB 1.607 33.226 31.823 -0.340 0.000 0.991 212 V HN 0.741 nan 8.190 nan 0.000 0.427 213 S N 4.709 120.264 115.700 -0.243 0.000 2.651 213 S HA 0.829 5.308 4.470 0.014 0.000 0.279 213 S C -1.278 173.264 174.600 -0.097 0.000 1.148 213 S CA -0.948 57.178 58.200 -0.123 0.000 0.837 213 S CB 1.919 65.071 63.200 -0.080 0.000 1.138 213 S HN 0.450 nan 8.310 nan 0.000 0.478 214 L N 1.329 122.557 121.223 0.009 0.000 2.341 214 L HA 0.679 5.028 4.340 0.014 0.000 0.278 214 L C -1.484 175.455 176.870 0.114 0.000 1.005 214 L CA -0.914 53.989 54.840 0.105 0.000 0.818 214 L CB 1.720 43.939 42.059 0.267 0.000 1.259 214 L HN 0.683 nan 8.230 nan 0.000 0.418 215 L N 3.491 124.733 121.223 0.032 0.000 2.376 215 L HA 0.422 4.770 4.340 0.014 0.000 0.275 215 L C -0.785 175.961 176.870 -0.206 0.000 0.987 215 L CA -0.119 54.685 54.840 -0.061 0.000 0.828 215 L CB 1.396 43.444 42.059 -0.019 0.000 1.249 215 L HN 0.476 nan 8.230 nan 0.000 0.409 216 H N 5.748 124.487 119.070 -0.551 0.000 2.556 216 H HA 0.456 5.020 4.556 0.014 0.000 0.310 216 H C -1.157 173.902 175.328 -0.449 0.000 1.057 216 H CA -0.521 55.063 56.048 -0.773 0.000 1.264 216 H CB 0.900 29.590 29.762 -1.787 0.000 1.404 216 H HN 0.588 nan 8.280 nan 0.000 0.462 217 K N 5.318 125.284 120.400 -0.723 0.000 2.281 217 K HA 0.399 4.727 4.320 0.014 0.000 0.242 217 K C -2.752 173.547 176.600 -0.501 0.000 0.971 217 K CA -2.009 53.991 56.287 -0.478 0.000 0.834 217 K CB 1.903 34.207 32.500 -0.327 0.000 1.181 217 K HN 0.436 nan 8.250 nan 0.000 0.435 218 P HA 0.037 nan 4.420 nan 0.000 0.274 218 P C 0.808 178.008 177.300 -0.168 0.000 1.256 218 P CA -0.111 62.877 63.100 -0.187 0.000 0.795 218 P CB 0.317 31.960 31.700 -0.095 0.000 1.038 219 T N -3.798 110.691 114.554 -0.108 0.000 2.951 219 T HA -0.015 4.343 4.350 0.014 0.000 0.268 219 T C 0.669 175.318 174.700 -0.084 0.000 1.073 219 T CA 1.136 63.184 62.100 -0.088 0.000 1.134 219 T CB -0.948 67.889 68.868 -0.052 0.000 0.884 219 T HN 0.250 nan 8.240 nan 0.000 0.479 220 T N 3.338 117.848 114.554 -0.073 0.000 2.762 220 T HA 0.461 4.820 4.350 0.014 0.000 0.303 220 T C -0.396 174.252 174.700 -0.088 0.000 0.977 220 T CA -0.732 61.319 62.100 -0.081 0.000 0.961 220 T CB 0.721 69.559 68.868 -0.051 0.000 0.944 220 T HN 0.682 nan 8.240 nan 0.000 0.481 221 Q N 2.580 122.314 119.800 -0.110 0.000 2.544 221 Q HA 0.622 4.971 4.340 0.014 0.000 0.291 221 Q C -1.048 174.887 176.000 -0.109 0.000 1.068 221 Q CA -1.204 54.526 55.803 -0.123 0.000 0.785 221 Q CB 1.457 30.094 28.738 -0.169 0.000 1.481 221 Q HN 0.436 nan 8.270 nan 0.000 0.430 222 I N 2.516 122.996 120.570 -0.150 0.000 2.436 222 I HA -0.007 4.171 4.170 0.014 0.000 0.289 222 I C 0.728 176.730 176.117 -0.191 0.000 1.083 222 I CA 0.104 61.329 61.300 -0.125 0.000 1.372 222 I CB 0.980 38.874 38.000 -0.175 0.000 1.408 222 I HN 0.870 nan 8.210 nan 0.000 0.516 223 S N 2.664 118.367 115.700 0.005 0.000 2.502 223 S HA 0.205 4.683 4.470 0.014 0.000 0.215 223 S C 0.137 174.943 174.600 0.343 0.000 1.009 223 S CA -0.273 57.992 58.200 0.109 0.000 0.908 223 S CB 0.305 63.541 63.200 0.059 0.000 0.801 223 S HN 0.720 nan 8.310 nan 0.000 0.505 224 D N -0.275 120.330 120.400 0.341 0.000 2.728 224 D HA 0.508 5.156 4.640 0.014 0.000 0.249 224 D C -1.944 174.532 176.300 0.294 0.000 1.225 224 D CA -0.727 53.475 54.000 0.336 0.000 0.748 224 D CB 1.446 42.344 40.800 0.164 0.000 1.326 224 D HN 0.196 nan 8.370 nan 0.000 0.426 225 F N -0.542 119.475 119.950 0.111 0.000 2.615 225 F HA 0.616 5.151 4.527 0.014 0.000 0.312 225 F C -1.521 174.360 175.800 0.135 0.000 1.119 225 F CA -0.784 57.212 58.000 -0.008 0.000 0.979 225 F CB 1.265 40.303 39.000 0.063 0.000 1.266 225 F HN 0.251 nan 8.300 nan 0.000 0.444 226 H N 2.141 121.282 119.070 0.118 0.000 2.547 226 H HA 0.717 5.281 4.556 0.014 0.000 0.342 226 H C -1.235 174.134 175.328 0.068 0.000 1.048 226 H CA -1.477 54.576 56.048 0.009 0.000 1.204 226 H CB 2.491 32.238 29.762 -0.024 0.000 1.493 226 H HN 0.608 nan 8.280 nan 0.000 0.511 227 V N 2.515 122.527 119.914 0.164 0.000 2.435 227 V HA 0.661 4.789 4.120 0.014 0.000 0.290 227 V C -0.105 175.983 176.094 -0.009 0.000 1.030 227 V CA -0.500 61.847 62.300 0.079 0.000 0.881 227 V CB 1.232 33.099 31.823 0.072 0.000 0.983 227 V HN 0.938 nan 8.190 nan 0.000 0.445 228 A N 3.429 126.220 122.820 -0.048 0.000 2.454 228 A HA 0.964 5.292 4.320 0.014 0.000 0.302 228 A C -0.205 177.278 177.584 -0.168 0.000 1.079 228 A CA -0.524 51.463 52.037 -0.083 0.000 0.731 228 A CB 2.095 21.069 19.000 -0.044 0.000 1.299 228 A HN 0.900 nan 8.150 nan 0.000 0.413 229 T N -0.708 113.729 114.554 -0.196 0.000 2.879 229 T HA 0.706 5.064 4.350 0.014 0.000 0.290 229 T C -0.487 173.999 174.700 -0.357 0.000 0.993 229 T CA -0.785 61.104 62.100 -0.352 0.000 0.975 229 T CB 1.174 69.728 68.868 -0.524 0.000 0.981 229 T HN 1.080 nan 8.240 nan 0.000 0.439 230 R N 1.756 121.972 120.500 -0.473 0.000 2.854 230 R HA 0.854 5.202 4.340 0.014 0.000 0.271 230 R C -1.665 174.230 176.300 -0.675 0.000 0.996 230 R CA -0.941 54.950 56.100 -0.348 0.000 0.961 230 R CB 1.300 31.534 30.300 -0.111 0.000 1.182 230 R HN 0.484 nan 8.270 nan 0.000 0.479 231 F N 0.373 120.309 119.950 -0.024 0.000 2.631 231 F HA 0.405 4.939 4.527 0.013 0.000 0.328 231 F C 0.151 175.818 175.800 -0.222 0.000 1.067 231 F CA -1.069 56.856 58.000 -0.125 0.000 0.969 231 F CB 1.334 40.160 39.000 -0.291 0.000 1.332 231 F HN 0.721 nan 8.300 nan 0.000 0.490 232 N N -0.102 118.582 118.700 -0.028 0.000 2.413 232 N HA 0.085 4.833 4.740 0.014 0.000 0.266 232 N C 0.455 175.824 175.510 -0.235 0.000 1.238 232 N CA -0.202 52.792 53.050 -0.093 0.000 0.972 232 N CB 0.172 38.634 38.487 -0.041 0.000 1.210 232 N HN 0.678 nan 8.380 nan 0.000 0.547 233 D N -0.732 119.578 120.400 -0.149 0.000 2.149 233 D HA -0.289 4.360 4.640 0.014 0.000 0.194 233 D C 0.507 176.723 176.300 -0.140 0.000 1.001 233 D CA 1.971 55.890 54.000 -0.134 0.000 0.849 233 D CB -0.587 40.190 40.800 -0.038 0.000 0.939 233 D HN 0.763 nan 8.370 nan 0.000 0.449 234 D N -1.455 118.909 120.400 -0.060 0.000 2.424 234 D HA -0.005 4.644 4.640 0.014 0.000 0.220 234 D C 0.096 176.548 176.300 0.254 0.000 1.150 234 D CA -0.838 53.232 54.000 0.117 0.000 0.831 234 D CB -0.922 39.952 40.800 0.124 0.000 0.981 234 D HN 0.244 nan 8.370 nan 0.000 0.500 235 F N 0.263 120.272 119.950 0.098 0.000 3.006 235 F HA -0.286 4.249 4.527 0.012 0.000 0.289 235 F C 1.651 177.531 175.800 0.135 0.000 0.772 235 F CA 0.815 58.884 58.000 0.116 0.000 1.162 235 F CB -2.680 36.279 39.000 -0.068 0.000 1.382 235 F HN 0.217 nan 8.300 nan 0.000 0.406 236 S N -1.075 114.739 115.700 0.189 0.000 2.558 236 S HA 0.300 4.778 4.470 0.014 0.000 0.217 236 S C 0.631 175.290 174.600 0.098 0.000 0.975 236 S CA -0.002 58.279 58.200 0.134 0.000 0.912 236 S CB 0.375 63.628 63.200 0.089 0.000 0.776 236 S HN 0.484 nan 8.310 nan 0.000 0.526 237 R N -0.110 120.457 120.500 0.110 0.000 2.668 237 R HA 0.804 5.153 4.340 0.014 0.000 0.272 237 R C -1.396 174.938 176.300 0.057 0.000 1.019 237 R CA -0.423 55.706 56.100 0.049 0.000 0.894 237 R CB 2.164 32.468 30.300 0.007 0.000 1.228 237 R HN 0.218 nan 8.270 nan 0.000 0.460 238 A N 1.277 124.065 122.820 -0.053 0.000 2.566 238 A HA 0.748 5.076 4.320 0.014 0.000 0.292 238 A C -1.421 176.076 177.584 -0.145 0.000 1.112 238 A CA -0.670 51.251 52.037 -0.194 0.000 0.707 238 A CB 2.131 21.015 19.000 -0.193 0.000 1.302 238 A HN 0.311 nan 8.150 nan 0.000 0.409 239 V N 1.443 121.245 119.914 -0.187 0.000 2.483 239 V HA 0.445 4.573 4.120 0.014 0.000 0.297 239 V C -0.556 175.471 176.094 -0.112 0.000 1.027 239 V CA -0.317 61.914 62.300 -0.113 0.000 0.855 239 V CB 1.337 33.098 31.823 -0.104 0.000 0.995 239 V HN 0.803 nan 8.190 nan 0.000 0.424 240 L N 4.496 125.691 121.223 -0.047 0.000 2.275 240 L HA 0.647 4.995 4.340 0.014 0.000 0.288 240 L C -0.038 176.789 176.870 -0.071 0.000 1.046 240 L CA -0.021 54.768 54.840 -0.085 0.000 0.805 240 L CB 1.249 43.289 42.059 -0.032 0.000 1.193 240 L HN 0.808 nan 8.230 nan 0.000 0.426 241 E N 4.371 124.525 120.200 -0.077 0.000 2.176 241 E HA 0.678 5.036 4.350 0.014 0.000 0.267 241 E C -1.422 175.163 176.600 -0.024 0.000 0.893 241 E CA -0.694 55.677 56.400 -0.048 0.000 0.761 241 E CB 1.714 31.386 29.700 -0.047 0.000 1.133 241 E HN 0.715 nan 8.360 nan 0.000 0.409 242 A N 4.575 127.387 122.820 -0.014 0.000 2.319 242 A HA 0.350 4.679 4.320 0.014 0.000 0.310 242 A C -0.790 176.793 177.584 -0.003 0.000 1.152 242 A CA -0.698 51.352 52.037 0.020 0.000 0.783 242 A CB 1.126 20.140 19.000 0.022 0.000 1.184 242 A HN 0.740 nan 8.150 nan 0.000 0.474 243 E N 2.514 122.715 120.200 0.001 0.000 2.197 243 E HA 0.558 4.917 4.350 0.014 0.000 0.281 243 E C -1.389 175.155 176.600 -0.092 0.000 0.995 243 E CA -0.391 55.966 56.400 -0.071 0.000 0.808 243 E CB 1.229 30.862 29.700 -0.112 0.000 1.093 243 E HN 0.376 nan 8.360 nan 0.000 0.394 244 V N 4.734 124.605 119.914 -0.072 0.000 2.540 244 V HA 0.292 4.420 4.120 0.014 0.000 0.302 244 V C -0.415 175.707 176.094 0.046 0.000 1.035 244 V CA -0.798 61.500 62.300 -0.003 0.000 0.873 244 V CB 1.693 33.495 31.823 -0.034 0.000 0.992 244 V HN 0.746 nan 8.190 nan 0.000 0.428 245 Q N 3.994 123.842 119.800 0.079 0.000 2.348 245 Q HA 0.832 5.180 4.340 0.014 0.000 0.271 245 Q C -0.841 175.254 176.000 0.157 0.000 1.067 245 Q CA -0.920 54.951 55.803 0.113 0.000 0.839 245 Q CB 2.734 31.478 28.738 0.010 0.000 1.354 245 Q HN 0.811 nan 8.270 nan 0.000 0.447 246 M N -1.029 118.631 119.600 0.100 0.000 2.761 246 M HA 0.751 5.240 4.480 0.014 0.000 0.305 246 M C -1.255 174.990 176.300 -0.092 0.000 1.235 246 M CA -0.537 54.739 55.300 -0.040 0.000 0.850 246 M CB 1.515 33.945 32.600 -0.283 0.000 1.744 246 M HN 0.522 nan 8.290 nan 0.000 0.480 247 C N 0.308 119.546 119.300 -0.103 0.000 2.779 247 C HA 1.040 5.509 4.460 0.014 0.000 0.314 247 C C 0.519 175.436 174.990 -0.123 0.000 1.231 247 C CA 0.595 59.559 59.018 -0.090 0.000 1.652 247 C CB 1.215 28.924 27.740 -0.052 0.000 2.198 247 C HN 1.406 nan 8.230 nan 0.000 0.483 248 G N 1.439 110.174 108.800 -0.108 0.000 2.373 248 G HA2 0.076 4.045 3.960 0.014 0.000 0.634 248 G HA3 0.076 4.045 3.960 0.014 0.000 0.634 248 G C -1.233 173.592 174.900 -0.125 0.000 1.267 248 G CA -0.524 44.511 45.100 -0.109 0.000 1.008 248 G HN 0.921 nan 8.290 nan 0.000 0.497 249 E N -0.057 120.074 120.200 -0.114 0.000 2.167 249 E HA 0.493 4.851 4.350 0.014 0.000 0.284 249 E C 0.389 176.882 176.600 -0.179 0.000 1.016 249 E CA -0.607 55.721 56.400 -0.121 0.000 0.817 249 E CB 0.413 30.064 29.700 -0.081 0.000 1.080 249 E HN 0.474 nan 8.360 nan 0.000 0.397 250 L N 4.984 126.087 121.223 -0.199 0.000 2.453 250 L HA 0.230 4.579 4.340 0.014 0.000 0.272 250 L C 0.349 177.066 176.870 -0.255 0.000 1.182 250 L CA 0.139 54.828 54.840 -0.253 0.000 0.858 250 L CB 0.286 42.214 42.059 -0.218 0.000 1.120 250 L HN 0.456 nan 8.230 nan 0.000 0.474 251 R N 2.031 122.319 120.500 -0.353 0.000 2.604 251 R HA 0.189 4.538 4.340 0.014 0.000 0.281 251 R C -0.189 175.835 176.300 -0.460 0.000 1.020 251 R CA -0.744 55.036 56.100 -0.534 0.000 0.899 251 R CB 1.449 31.078 30.300 -1.118 0.000 1.205 251 R HN 0.580 nan 8.270 nan 0.000 0.450 252 D N 1.387 121.593 120.400 -0.323 0.000 2.309 252 D HA -0.150 4.498 4.640 0.014 0.000 0.212 252 D C 1.158 177.406 176.300 -0.086 0.000 0.968 252 D CA 1.584 55.494 54.000 -0.150 0.000 0.882 252 D CB 0.259 41.022 40.800 -0.062 0.000 0.918 252 D HN 0.554 nan 8.370 nan 0.000 0.503 253 Y N -0.028 120.283 120.300 0.019 0.000 2.490 253 Y HA 0.293 4.852 4.550 0.014 0.000 0.281 253 Y C 0.889 176.800 175.900 0.018 0.000 1.174 253 Y CA -0.537 57.574 58.100 0.019 0.000 1.295 253 Y CB -0.785 37.686 38.460 0.018 0.000 1.062 253 Y HN -0.196 nan 8.280 nan 0.000 0.522 254 L N 2.764 124.022 121.223 0.058 0.000 2.426 254 L HA 0.315 4.664 4.340 0.014 0.000 0.271 254 L C 0.171 177.097 176.870 0.092 0.000 1.169 254 L CA -0.034 54.897 54.840 0.153 0.000 0.836 254 L CB 0.535 42.671 42.059 0.129 0.000 1.112 254 L HN 0.190 nan 8.230 nan 0.000 0.465 255 R N 1.965 122.407 120.500 -0.097 0.000 2.764 255 R HA 0.668 5.016 4.340 0.014 0.000 0.270 255 R C -1.515 174.458 176.300 -0.545 0.000 1.014 255 R CA -0.777 55.102 56.100 -0.370 0.000 0.904 255 R CB 2.193 32.127 30.300 -0.610 0.000 1.236 255 R HN 0.263 nan 8.270 nan 0.000 0.466 256 V N 0.727 120.350 119.914 -0.485 0.000 2.656 256 V HA 0.548 4.676 4.120 0.014 0.000 0.307 256 V C -0.341 175.697 176.094 -0.094 0.000 1.051 256 V CA -0.555 61.560 62.300 -0.308 0.000 0.893 256 V CB 2.310 33.903 31.823 -0.383 0.000 0.999 256 V HN 0.719 nan 8.190 nan 0.000 0.426 257 T N 3.671 118.293 114.554 0.113 0.000 2.841 257 T HA 0.593 4.952 4.350 0.014 0.000 0.285 257 T C -0.778 173.940 174.700 0.031 0.000 0.991 257 T CA -0.337 61.837 62.100 0.124 0.000 0.966 257 T CB 1.671 70.653 68.868 0.190 0.000 0.962 257 T HN 0.349 nan 8.240 nan 0.000 0.438 258 V N 4.036 123.944 119.914 -0.010 0.000 2.409 258 V HA 0.682 4.811 4.120 0.014 0.000 0.291 258 V C -0.004 176.084 176.094 -0.011 0.000 1.020 258 V CA -0.744 61.542 62.300 -0.023 0.000 0.848 258 V CB 1.576 33.372 31.823 -0.045 0.000 0.990 258 V HN 1.028 nan 8.190 nan 0.000 0.430 259 S N 5.388 121.106 115.700 0.031 0.000 2.536 259 S HA 0.867 5.345 4.470 0.014 0.000 0.298 259 S C -1.135 173.487 174.600 0.036 0.000 1.083 259 S CA -0.772 57.419 58.200 -0.014 0.000 0.995 259 S CB 2.173 65.390 63.200 0.029 0.000 1.058 259 S HN 0.522 nan 8.310 nan 0.000 0.488 260 L N 2.367 123.507 121.223 -0.137 0.000 2.341 260 L HA 0.822 5.171 4.340 0.014 0.000 0.278 260 L C -1.953 174.834 176.870 -0.137 0.000 1.005 260 L CA -0.273 54.584 54.840 0.028 0.000 0.818 260 L CB 1.040 43.121 42.059 0.036 0.000 1.259 260 L HN 0.908 nan 8.230 nan 0.000 0.418 261 W N 3.202 124.607 121.300 0.175 0.000 2.844 261 W HA 0.595 5.263 4.660 0.014 0.000 0.340 261 W C -0.619 175.994 176.519 0.157 0.000 1.093 261 W CA -0.463 56.964 57.345 0.136 0.000 1.212 261 W CB 1.479 30.967 29.460 0.048 0.000 1.422 261 W HN 0.358 nan 8.180 nan 0.000 0.515 262 Q N 2.112 122.081 119.800 0.283 0.000 2.456 262 Q HA 0.465 4.814 4.340 0.014 0.000 0.252 262 Q C 0.713 176.766 176.000 0.089 0.000 1.042 262 Q CA 0.489 56.300 55.803 0.014 0.000 0.766 262 Q CB 0.821 29.509 28.738 -0.082 0.000 1.196 262 Q HN 0.784 nan 8.270 nan 0.000 0.504 263 G N 3.124 111.971 108.800 0.078 0.000 2.583 263 G HA2 -0.378 3.590 3.960 0.014 0.000 0.292 263 G HA3 -0.378 3.590 3.960 0.014 0.000 0.292 263 G C 0.187 175.165 174.900 0.129 0.000 1.203 263 G CA 0.455 45.592 45.100 0.062 0.000 0.987 263 G HN 0.715 nan 8.290 nan 0.000 0.554 264 E N 0.711 120.979 120.200 0.113 0.000 2.437 264 E HA 0.306 4.664 4.350 0.014 0.000 0.189 264 E C 0.248 177.069 176.600 0.369 0.000 1.054 264 E CA 0.431 56.931 56.400 0.165 0.000 0.874 264 E CB 0.398 30.130 29.700 0.053 0.000 1.011 264 E HN 0.312 nan 8.360 nan 0.000 0.474 265 T N 1.238 115.992 114.554 0.334 0.000 2.795 265 T HA 0.133 4.491 4.350 0.014 0.000 0.282 265 T C -0.389 174.379 174.700 0.114 0.000 0.980 265 T CA -0.558 61.676 62.100 0.223 0.000 1.012 265 T CB 1.581 70.503 68.868 0.091 0.000 0.936 265 T HN 0.053 nan 8.240 nan 0.000 0.457 266 Q N 2.494 122.083 119.800 -0.352 0.000 2.279 266 Q HA 0.368 4.716 4.340 0.014 0.000 0.256 266 Q C 0.850 176.574 176.000 -0.459 0.000 0.937 266 Q CA -0.499 54.668 55.803 -1.060 0.000 0.933 266 Q CB 0.967 28.781 28.738 -1.540 0.000 1.189 266 Q HN 0.657 nan 8.270 nan 0.000 0.417 267 V N 0.895 120.611 119.914 -0.330 0.000 3.263 267 V HA 0.628 4.756 4.120 0.014 0.000 0.248 267 V C 0.198 176.193 176.094 -0.164 0.000 1.145 267 V CA 0.822 63.034 62.300 -0.148 0.000 1.107 267 V CB 0.284 32.114 31.823 0.010 0.000 0.797 267 V HN 0.673 nan 8.190 nan 0.000 0.467 268 A N -0.778 121.914 122.820 -0.214 0.000 2.601 268 A HA 0.836 5.165 4.320 0.014 0.000 0.291 268 A C -0.666 176.808 177.584 -0.184 0.000 1.075 268 A CA 0.202 52.141 52.037 -0.163 0.000 0.671 268 A CB 1.541 20.474 19.000 -0.112 0.000 1.277 268 A HN 0.752 nan 8.150 nan 0.000 0.417 269 S N -1.262 114.358 115.700 -0.133 0.000 2.552 269 S HA 0.785 5.264 4.470 0.014 0.000 0.272 269 S C -0.682 173.875 174.600 -0.072 0.000 1.150 269 S CA 0.188 58.322 58.200 -0.111 0.000 0.849 269 S CB 1.712 64.836 63.200 -0.126 0.000 1.113 269 S HN 2.320 nan 8.310 nan 0.000 0.458 270 G N 1.529 110.298 108.800 -0.052 0.000 2.731 270 G HA2 0.628 4.596 3.960 0.014 0.000 0.298 270 G HA3 0.628 4.596 3.960 0.014 0.000 0.298 270 G C -1.363 173.521 174.900 -0.025 0.000 1.424 270 G CA -0.369 44.706 45.100 -0.042 0.000 1.029 270 G HN 0.691 nan 8.290 nan 0.000 0.518 271 T N -0.040 114.504 114.554 -0.017 0.000 2.893 271 T HA 0.880 5.239 4.350 0.014 0.000 0.291 271 T C -0.236 174.436 174.700 -0.047 0.000 1.028 271 T CA -0.034 62.066 62.100 -0.000 0.000 0.995 271 T CB 1.880 70.784 68.868 0.060 0.000 1.051 271 T HN 1.564 nan 8.240 nan 0.000 0.470 272 A N 3.061 125.819 122.820 -0.104 0.000 2.601 272 A HA 0.899 5.227 4.320 0.014 0.000 0.291 272 A C -3.124 174.349 177.584 -0.186 0.000 1.075 272 A CA -1.490 50.476 52.037 -0.118 0.000 0.671 272 A CB 1.099 20.024 19.000 -0.126 0.000 1.277 272 A HN 0.537 nan 8.150 nan 0.000 0.417 273 P HA 0.599 nan 4.420 nan 0.000 0.284 273 P C -0.623 176.580 177.300 -0.162 0.000 1.292 273 P CA -0.394 62.641 63.100 -0.109 0.000 0.800 273 P CB 0.319 32.010 31.700 -0.015 0.000 1.188 274 F N -0.463 119.450 119.950 -0.063 0.000 2.406 274 F HA 0.495 5.031 4.527 0.014 0.000 0.327 274 F C 1.381 177.163 175.800 -0.030 0.000 1.153 274 F CA 1.383 59.355 58.000 -0.047 0.000 1.218 274 F CB 0.225 39.194 39.000 -0.053 0.000 1.215 274 F HN 0.549 nan 8.300 nan 0.000 0.570 275 G N 1.511 110.430 108.800 0.199 0.000 2.951 275 G HA2 0.336 4.305 3.960 0.014 0.000 0.508 275 G HA3 0.336 4.305 3.960 0.014 0.000 0.508 275 G C -0.376 174.572 174.900 0.080 0.000 1.203 275 G CA -0.757 44.418 45.100 0.125 0.000 1.209 275 G HN 1.041 nan 8.290 nan 0.000 0.552 276 G N 0.737 109.604 108.800 0.112 0.000 2.653 276 G HA2 0.637 4.606 3.960 0.014 0.000 0.265 276 G HA3 0.637 4.606 3.960 0.014 0.000 0.265 276 G C 0.520 175.459 174.900 0.065 0.000 1.237 276 G CA 0.111 45.264 45.100 0.088 0.000 0.946 276 G HN 1.157 nan 8.290 nan 0.000 0.522 277 E N -0.941 119.290 120.200 0.052 0.000 2.409 277 E HA 0.139 4.497 4.350 0.014 0.000 0.257 277 E C -0.205 176.420 176.600 0.040 0.000 1.150 277 E CA -0.534 55.887 56.400 0.036 0.000 0.942 277 E CB 0.768 30.484 29.700 0.027 0.000 0.979 277 E HN 0.293 nan 8.360 nan 0.000 0.447 278 I N 1.984 122.566 120.570 0.020 0.000 2.710 278 I HA -0.141 4.037 4.170 0.014 0.000 0.286 278 I C 0.999 177.127 176.117 0.019 0.000 1.181 278 I CA -0.026 61.279 61.300 0.010 0.000 1.430 278 I CB 0.337 38.337 38.000 0.000 0.000 1.367 278 I HN 0.600 nan 8.210 nan 0.000 0.577 279 I N 3.398 123.974 120.570 0.011 0.000 3.300 279 I HA 0.101 4.280 4.170 0.014 0.000 0.279 279 I C 0.471 176.592 176.117 0.006 0.000 1.172 279 I CA 0.921 62.236 61.300 0.026 0.000 1.431 279 I CB -0.764 37.262 38.000 0.042 0.000 1.240 279 I HN 0.687 nan 8.210 nan 0.000 0.453 280 D N -1.113 119.277 120.400 -0.017 0.000 3.057 280 D HA 0.129 4.777 4.640 0.014 0.000 0.328 280 D C 0.393 176.678 176.300 -0.024 0.000 1.317 280 D CA -0.388 53.602 54.000 -0.016 0.000 0.973 280 D CB 0.477 41.267 40.800 -0.016 0.000 1.424 280 D HN -0.267 nan 8.370 nan 0.000 0.569 281 E N -1.023 119.164 120.200 -0.021 0.000 2.265 281 E HA -0.011 4.348 4.350 0.014 0.000 0.196 281 E C 1.422 178.004 176.600 -0.030 0.000 0.996 281 E CA 0.855 57.242 56.400 -0.021 0.000 0.832 281 E CB -0.016 29.674 29.700 -0.016 0.000 0.756 281 E HN 0.203 nan 8.360 nan 0.000 0.491 282 R N -0.307 120.167 120.500 -0.043 0.000 2.310 282 R HA 0.259 4.608 4.340 0.014 0.000 0.202 282 R C 0.902 177.159 176.300 -0.072 0.000 0.933 282 R CA 0.760 56.826 56.100 -0.057 0.000 1.054 282 R CB 0.504 30.763 30.300 -0.068 0.000 0.985 282 R HN 0.220 nan 8.270 nan 0.000 0.489 283 G N -0.745 108.014 108.800 -0.068 0.000 2.358 283 G HA2 -0.058 3.911 3.960 0.014 0.000 0.198 283 G HA3 -0.058 3.911 3.960 0.014 0.000 0.198 283 G C -0.316 174.531 174.900 -0.088 0.000 1.220 283 G CA -0.601 44.458 45.100 -0.069 0.000 1.187 283 G HN 0.481 nan 8.290 nan 0.000 0.544 284 G N -1.948 106.792 108.800 -0.100 0.000 3.022 284 G HA2 0.640 4.609 3.960 0.014 0.000 0.284 284 G HA3 0.640 4.609 3.960 0.014 0.000 0.284 284 G C -1.702 173.090 174.900 -0.180 0.000 1.375 284 G CA -0.714 44.332 45.100 -0.089 0.000 0.902 284 G HN 0.764 nan 8.290 nan 0.000 0.538 285 Y N 0.936 121.248 120.300 0.020 0.000 2.425 285 Y HA 0.436 4.994 4.550 0.014 0.000 0.347 285 Y C 1.365 177.290 175.900 0.042 0.000 0.976 285 Y CA 0.193 58.309 58.100 0.028 0.000 1.190 285 Y CB 1.796 40.278 38.460 0.036 0.000 1.136 285 Y HN 0.546 nan 8.280 nan 0.000 0.517 286 A N 1.727 124.614 122.820 0.111 0.000 2.167 286 A HA -0.085 4.243 4.320 0.014 0.000 0.214 286 A C 1.148 178.803 177.584 0.118 0.000 1.151 286 A CA 1.021 53.112 52.037 0.091 0.000 0.735 286 A CB -0.228 18.781 19.000 0.016 0.000 0.802 286 A HN 0.772 nan 8.150 nan 0.000 0.467 287 D N -0.698 119.784 120.400 0.138 0.000 2.427 287 D HA 0.183 4.832 4.640 0.014 0.000 0.224 287 D C 0.383 176.829 176.300 0.244 0.000 1.157 287 D CA -0.055 53.972 54.000 0.046 0.000 0.828 287 D CB 0.006 40.805 40.800 -0.001 0.000 0.974 287 D HN 0.369 nan 8.370 nan 0.000 0.498 288 R N -0.860 119.870 120.500 0.383 0.000 2.799 288 R HA 0.748 5.097 4.340 0.014 0.000 0.270 288 R C -1.693 174.722 176.300 0.191 0.000 1.010 288 R CA -1.121 55.157 56.100 0.297 0.000 0.916 288 R CB 3.024 33.379 30.300 0.091 0.000 1.228 288 R HN -0.022 nan 8.270 nan 0.000 0.469 289 V N 0.290 120.194 119.914 -0.016 0.000 3.077 289 V HA 0.522 4.650 4.120 0.014 0.000 0.299 289 V C -1.578 174.444 176.094 -0.120 0.000 1.276 289 V CA -0.281 61.939 62.300 -0.133 0.000 0.993 289 V CB 2.782 34.381 31.823 -0.373 0.000 1.076 289 V HN 0.809 nan 8.190 nan 0.000 0.434 290 T N 7.273 121.774 114.554 -0.089 0.000 2.809 290 T HA 0.592 4.950 4.350 0.014 0.000 0.284 290 T C -0.992 173.664 174.700 -0.072 0.000 0.992 290 T CA -0.390 61.669 62.100 -0.068 0.000 0.957 290 T CB 1.010 69.854 68.868 -0.039 0.000 0.942 290 T HN 0.423 nan 8.240 nan 0.000 0.439 291 L N 3.590 124.770 121.223 -0.071 0.000 2.309 291 L HA 0.576 4.924 4.340 0.014 0.000 0.282 291 L C 0.449 177.288 176.870 -0.051 0.000 1.036 291 L CA -0.398 54.402 54.840 -0.066 0.000 0.806 291 L CB 1.287 43.304 42.059 -0.069 0.000 1.220 291 L HN 0.540 nan 8.230 nan 0.000 0.429 292 R N 3.069 123.540 120.500 -0.049 0.000 2.439 292 R HA 0.672 5.021 4.340 0.014 0.000 0.310 292 R C -1.287 174.984 176.300 -0.048 0.000 0.955 292 R CA -0.769 55.303 56.100 -0.047 0.000 0.853 292 R CB 1.850 32.123 30.300 -0.045 0.000 1.171 292 R HN 0.267 nan 8.270 nan 0.000 0.449 293 L N 2.824 124.019 121.223 -0.047 0.000 2.341 293 L HA 0.395 4.744 4.340 0.014 0.000 0.278 293 L C -0.400 176.440 176.870 -0.051 0.000 1.005 293 L CA -0.511 54.300 54.840 -0.048 0.000 0.818 293 L CB 1.816 43.850 42.059 -0.042 0.000 1.259 293 L HN 0.533 nan 8.230 nan 0.000 0.418 294 N N 1.523 120.188 118.700 -0.059 0.000 2.518 294 N HA 0.624 5.373 4.740 0.014 0.000 0.283 294 N C -1.166 174.292 175.510 -0.086 0.000 1.119 294 N CA -0.438 52.573 53.050 -0.066 0.000 0.983 294 N CB 1.669 40.121 38.487 -0.058 0.000 1.139 294 N HN 0.229 nan 8.380 nan 0.000 0.465 295 V N 1.789 121.635 119.914 -0.113 0.000 2.482 295 V HA 0.227 4.356 4.120 0.014 0.000 0.295 295 V C -0.617 175.387 176.094 -0.150 0.000 1.026 295 V CA -0.842 61.349 62.300 -0.182 0.000 0.856 295 V CB 1.396 32.995 31.823 -0.373 0.000 1.001 295 V HN 0.591 nan 8.190 nan 0.000 0.424 296 E N 3.838 123.977 120.200 -0.101 0.000 2.301 296 E HA 0.336 4.694 4.350 0.014 0.000 0.275 296 E C 0.166 176.739 176.600 -0.045 0.000 1.030 296 E CA -0.402 55.965 56.400 -0.056 0.000 0.852 296 E CB 0.634 30.313 29.700 -0.034 0.000 1.060 296 E HN 0.641 nan 8.360 nan 0.000 0.401 297 N N 1.322 120.019 118.700 -0.005 0.000 2.705 297 N HA -0.116 4.632 4.740 0.014 0.000 0.255 297 N C -2.302 173.212 175.510 0.006 0.000 1.008 297 N CA 0.402 53.466 53.050 0.023 0.000 0.742 297 N CB -1.255 37.246 38.487 0.024 0.000 0.906 297 N HN 0.377 nan 8.380 nan 0.000 0.541 298 P HA 0.020 nan 4.420 nan 0.000 0.269 298 P C -0.034 177.306 177.300 0.067 0.000 1.209 298 P CA 0.319 63.329 63.100 -0.150 0.000 0.776 298 P CB 0.825 32.273 31.700 -0.420 0.000 0.876 299 K N 2.874 123.395 120.400 0.202 0.000 2.316 299 K HA 0.311 4.640 4.320 0.014 0.000 0.289 299 K C 0.190 176.963 176.600 0.288 0.000 1.070 299 K CA -0.450 55.956 56.287 0.198 0.000 0.928 299 K CB 0.309 32.881 32.500 0.121 0.000 1.039 299 K HN 0.436 nan 8.250 nan 0.000 0.480 300 L N 2.491 123.811 121.223 0.161 0.000 2.371 300 L HA 0.312 4.660 4.340 0.014 0.000 0.272 300 L C 0.034 176.979 176.870 0.124 0.000 1.124 300 L CA -0.839 54.089 54.840 0.147 0.000 0.816 300 L CB 0.326 42.318 42.059 -0.113 0.000 1.129 300 L HN 0.612 nan 8.230 nan 0.000 0.448 301 W N 3.451 124.775 121.300 0.041 0.000 2.376 301 W HA 0.516 5.184 4.660 0.012 0.000 0.322 301 W C -0.048 176.406 176.519 -0.107 0.000 1.160 301 W CA 0.034 57.386 57.345 0.012 0.000 1.218 301 W CB 1.369 30.890 29.460 0.103 0.000 1.205 301 W HN 0.647 nan 8.180 nan 0.000 0.559 302 S N 2.945 118.052 115.700 -0.988 0.000 2.643 302 S HA 0.629 5.107 4.470 0.014 0.000 0.270 302 S C 0.085 173.872 174.600 -1.355 0.000 1.166 302 S CA -0.368 57.272 58.200 -0.933 0.000 0.815 302 S CB 1.084 64.001 63.200 -0.471 0.000 1.139 302 S HN 1.065 nan 8.310 nan 0.000 0.472 303 A N 0.442 122.640 122.820 -1.037 0.000 2.067 303 A HA 0.060 4.388 4.320 0.014 0.000 0.219 303 A C 1.758 179.058 177.584 -0.473 0.000 1.158 303 A CA 1.422 52.911 52.037 -0.914 0.000 0.661 303 A CB -0.936 17.385 19.000 -1.131 0.000 0.801 303 A HN 0.863 nan 8.150 nan 0.000 0.452 304 E N -0.609 119.447 120.200 -0.240 0.000 2.046 304 E HA 0.029 4.388 4.350 0.014 0.000 0.190 304 E C -0.134 176.355 176.600 -0.186 0.000 0.982 304 E CA 0.739 57.063 56.400 -0.127 0.000 0.800 304 E CB -0.024 29.736 29.700 0.099 0.000 0.756 304 E HN 0.594 nan 8.360 nan 0.000 0.449 305 I N 2.090 122.517 120.570 -0.238 0.000 2.563 305 I HA 0.163 4.342 4.170 0.014 0.000 0.276 305 I C -2.473 173.429 176.117 -0.357 0.000 1.074 305 I CA -1.915 59.257 61.300 -0.214 0.000 1.124 305 I CB 1.989 39.911 38.000 -0.130 0.000 1.225 305 I HN -0.198 nan 8.210 nan 0.000 0.482 306 P HA 0.091 nan 4.420 nan 0.000 0.226 306 P C -0.535 176.757 177.300 -0.013 0.000 1.783 306 P CA -0.280 62.497 63.100 -0.538 0.000 0.980 306 P CB -0.243 31.291 31.700 -0.277 0.000 1.967 307 N N 1.751 120.471 118.700 0.034 0.000 2.412 307 N HA 0.102 4.851 4.740 0.014 0.000 0.258 307 N C 0.141 175.861 175.510 0.350 0.000 1.236 307 N CA 0.541 53.680 53.050 0.148 0.000 0.882 307 N CB 0.668 39.239 38.487 0.139 0.000 1.066 307 N HN 0.316 nan 8.380 nan 0.000 0.465 308 L N 2.061 123.417 121.223 0.221 0.000 2.371 308 L HA 0.485 4.834 4.340 0.014 0.000 0.262 308 L C -0.821 176.159 176.870 0.183 0.000 1.006 308 L CA -0.860 54.161 54.840 0.301 0.000 0.818 308 L CB 1.334 43.532 42.059 0.233 0.000 1.354 308 L HN 0.390 nan 8.230 nan 0.000 0.415 309 Y N 0.053 120.498 120.300 0.242 0.000 2.650 309 Y HA 0.651 5.209 4.550 0.014 0.000 0.331 309 Y C -0.226 175.792 175.900 0.197 0.000 1.082 309 Y CA -0.805 57.439 58.100 0.240 0.000 1.171 309 Y CB 1.691 40.352 38.460 0.335 0.000 1.326 309 Y HN 0.372 nan 8.280 nan 0.000 0.513 310 R N 1.010 121.741 120.500 0.385 0.000 2.437 310 R HA 0.798 5.147 4.340 0.014 0.000 0.310 310 R C -1.608 174.877 176.300 0.309 0.000 0.955 310 R CA -0.516 55.739 56.100 0.259 0.000 0.851 310 R CB 1.084 31.470 30.300 0.143 0.000 1.161 310 R HN 0.734 nan 8.270 nan 0.000 0.446 311 A N 3.889 126.832 122.820 0.204 0.000 2.276 311 A HA 0.611 4.940 4.320 0.014 0.000 0.316 311 A C -0.996 176.638 177.584 0.082 0.000 1.229 311 A CA -0.637 51.500 52.037 0.167 0.000 0.851 311 A CB 1.221 20.282 19.000 0.100 0.000 1.165 311 A HN 0.495 nan 8.150 nan 0.000 0.513 312 V N 3.357 123.332 119.914 0.102 0.000 2.417 312 V HA 0.388 4.516 4.120 0.014 0.000 0.291 312 V C -0.351 175.705 176.094 -0.062 0.000 1.024 312 V CA -0.484 61.806 62.300 -0.018 0.000 0.861 312 V CB 1.667 33.496 31.823 0.011 0.000 0.985 312 V HN 0.620 nan 8.190 nan 0.000 0.436 313 V N 4.876 124.680 119.914 -0.183 0.000 2.328 313 V HA 0.409 4.537 4.120 0.014 0.000 0.278 313 V C -0.058 175.972 176.094 -0.107 0.000 1.021 313 V CA -0.564 61.613 62.300 -0.204 0.000 0.838 313 V CB 1.310 32.858 31.823 -0.459 0.000 0.999 313 V HN 0.918 nan 8.190 nan 0.000 0.447 314 E N 3.995 124.191 120.200 -0.007 0.000 2.151 314 E HA 0.447 4.805 4.350 0.014 0.000 0.275 314 E C -0.977 175.715 176.600 0.153 0.000 0.936 314 E CA -0.886 55.561 56.400 0.079 0.000 0.777 314 E CB 2.383 32.151 29.700 0.113 0.000 1.108 314 E HN 0.454 nan 8.360 nan 0.000 0.401 315 L N 5.006 126.295 121.223 0.110 0.000 2.257 315 L HA 0.338 4.687 4.340 0.014 0.000 0.290 315 L C -0.787 176.184 176.870 0.170 0.000 1.044 315 L CA 0.270 55.174 54.840 0.106 0.000 0.810 315 L CB -0.378 41.732 42.059 0.084 0.000 1.193 315 L HN 0.683 nan 8.230 nan 0.000 0.425 316 H N 0.750 119.871 119.070 0.085 0.000 3.393 316 H HA 0.882 5.447 4.556 0.014 0.000 0.302 316 H C -0.787 174.613 175.328 0.120 0.000 1.650 316 H CA -0.363 55.731 56.048 0.077 0.000 1.208 316 H CB 0.872 30.658 29.762 0.040 0.000 1.770 316 H HN 0.448 nan 8.280 nan 0.000 0.662 317 T N -2.904 111.814 114.554 0.273 0.000 2.926 317 T HA 0.612 4.970 4.350 0.014 0.000 0.289 317 T C 1.281 176.128 174.700 0.245 0.000 1.054 317 T CA -0.504 61.712 62.100 0.194 0.000 1.015 317 T CB 1.698 70.626 68.868 0.100 0.000 1.167 317 T HN 0.959 nan 8.240 nan 0.000 0.526 318 A N 1.029 123.948 122.820 0.164 0.000 1.948 318 A HA -0.149 4.180 4.320 0.014 0.000 0.220 318 A C 1.953 179.612 177.584 0.125 0.000 1.177 318 A CA 2.110 54.230 52.037 0.138 0.000 0.636 318 A CB -1.156 17.914 19.000 0.116 0.000 0.815 318 A HN 1.006 nan 8.150 nan 0.000 0.449 319 D N -2.508 117.946 120.400 0.090 0.000 2.363 319 D HA 0.218 4.866 4.640 0.014 0.000 0.226 319 D C 1.192 177.523 176.300 0.052 0.000 1.020 319 D CA 1.264 55.294 54.000 0.050 0.000 0.892 319 D CB -0.041 40.764 40.800 0.009 0.000 0.900 319 D HN 0.718 nan 8.370 nan 0.000 0.531 320 G N 0.247 109.109 108.800 0.104 0.000 2.307 320 G HA2 -0.240 3.729 3.960 0.014 0.000 0.210 320 G HA3 -0.240 3.729 3.960 0.014 0.000 0.210 320 G C 0.480 175.390 174.900 0.017 0.000 1.005 320 G CA 0.070 45.185 45.100 0.025 0.000 0.634 320 G HN 0.371 nan 8.290 nan 0.000 0.496 321 T N 2.514 117.101 114.554 0.055 0.000 2.778 321 T HA 0.332 4.691 4.350 0.014 0.000 0.282 321 T C 0.349 175.104 174.700 0.092 0.000 0.983 321 T CA 0.504 62.630 62.100 0.044 0.000 1.193 321 T CB 1.196 70.073 68.868 0.015 0.000 0.938 321 T HN 0.681 nan 8.240 nan 0.000 0.523 322 L N 5.150 126.408 121.223 0.058 0.000 2.331 322 L HA 0.375 4.723 4.340 0.014 0.000 0.278 322 L C 0.817 177.736 176.870 0.080 0.000 1.106 322 L CA 0.217 55.108 54.840 0.085 0.000 0.824 322 L CB 0.319 42.401 42.059 0.038 0.000 1.142 322 L HN 0.674 nan 8.230 nan 0.000 0.443 323 I N 2.469 123.098 120.570 0.099 0.000 2.685 323 I HA 0.142 4.320 4.170 0.014 0.000 0.251 323 I C 0.211 176.355 176.117 0.045 0.000 1.102 323 I CA 0.372 61.712 61.300 0.068 0.000 1.442 323 I CB 0.188 38.232 38.000 0.073 0.000 1.194 323 I HN 0.793 nan 8.210 nan 0.000 0.448 324 E N 0.387 120.614 120.200 0.046 0.000 2.396 324 E HA 0.693 5.051 4.350 0.014 0.000 0.280 324 E C -1.571 175.050 176.600 0.035 0.000 1.065 324 E CA -1.039 55.378 56.400 0.029 0.000 0.831 324 E CB 1.863 31.547 29.700 -0.027 0.000 1.272 324 E HN -0.009 nan 8.360 nan 0.000 0.443 325 A N 1.483 124.344 122.820 0.068 0.000 2.435 325 A HA 0.729 5.057 4.320 0.014 0.000 0.304 325 A C -0.981 176.692 177.584 0.149 0.000 1.064 325 A CA -0.709 51.365 52.037 0.060 0.000 0.727 325 A CB 1.762 20.782 19.000 0.033 0.000 1.284 325 A HN 0.531 nan 8.150 nan 0.000 0.415 326 E N -0.484 119.739 120.200 0.039 0.000 2.378 326 E HA 0.852 5.211 4.350 0.014 0.000 0.265 326 E C -0.556 176.050 176.600 0.010 0.000 0.932 326 E CA -0.470 56.012 56.400 0.137 0.000 0.795 326 E CB 2.393 32.085 29.700 -0.013 0.000 1.296 326 E HN 1.227 nan 8.360 nan 0.000 0.438 327 A N -0.172 122.765 122.820 0.195 0.000 2.586 327 A HA 0.729 5.057 4.320 0.014 0.000 0.290 327 A C -1.194 176.568 177.584 0.296 0.000 1.086 327 A CA -0.340 51.740 52.037 0.072 0.000 0.665 327 A CB 0.705 19.652 19.000 -0.088 0.000 1.279 327 A HN 0.877 nan 8.150 nan 0.000 0.423 328 C N -0.639 118.790 119.300 0.216 0.000 3.311 328 C HA 0.802 5.271 4.460 0.014 0.000 0.325 328 C C -1.402 173.677 174.990 0.149 0.000 1.352 328 C CA -0.929 58.227 59.018 0.230 0.000 1.308 328 C CB 1.055 28.956 27.740 0.268 0.000 1.619 328 C HN 0.822 nan 8.230 nan 0.000 0.469 329 D N 0.970 121.443 120.400 0.120 0.000 2.302 329 D HA 0.547 5.195 4.640 0.014 0.000 0.248 329 D C -0.412 175.934 176.300 0.077 0.000 1.094 329 D CA 0.160 54.232 54.000 0.119 0.000 0.897 329 D CB 1.880 42.751 40.800 0.119 0.000 1.200 329 D HN 0.545 nan 8.370 nan 0.000 0.429 330 V N 1.272 121.256 119.914 0.117 0.000 2.448 330 V HA 0.621 4.750 4.120 0.014 0.000 0.295 330 V C 0.582 176.729 176.094 0.088 0.000 1.025 330 V CA -0.820 61.495 62.300 0.026 0.000 0.859 330 V CB 1.949 33.772 31.823 -0.001 0.000 0.988 330 V HN 0.599 nan 8.190 nan 0.000 0.431 331 G N 3.275 112.027 108.800 -0.080 0.000 2.422 331 G HA2 0.600 4.568 3.960 0.014 0.000 0.317 331 G HA3 0.600 4.568 3.960 0.014 0.000 0.317 331 G C -0.951 174.007 174.900 0.097 0.000 1.210 331 G CA -0.395 44.736 45.100 0.051 0.000 0.930 331 G HN 0.443 nan 8.290 nan 0.000 0.468 332 F N 4.081 124.229 119.950 0.330 0.000 2.468 332 F HA 0.417 4.952 4.527 0.013 0.000 0.356 332 F C 1.157 177.207 175.800 0.418 0.000 1.167 332 F CA -0.109 58.146 58.000 0.425 0.000 1.135 332 F CB 0.578 39.843 39.000 0.440 0.000 1.197 332 F HN 0.439 nan 8.300 nan 0.000 0.569 333 R N 2.881 123.670 120.500 0.483 0.000 2.629 333 R HA 0.380 4.728 4.340 0.014 0.000 0.266 333 R C -1.818 174.627 176.300 0.242 0.000 1.051 333 R CA -0.795 55.420 56.100 0.192 0.000 0.895 333 R CB 1.509 31.971 30.300 0.271 0.000 1.246 333 R HN 0.572 nan 8.270 nan 0.000 0.459 334 E N 2.306 122.548 120.200 0.070 0.000 2.171 334 E HA 0.447 4.805 4.350 0.014 0.000 0.271 334 E C -1.149 175.526 176.600 0.125 0.000 0.916 334 E CA -0.906 55.625 56.400 0.218 0.000 0.774 334 E CB 1.995 31.909 29.700 0.356 0.000 1.128 334 E HN 0.408 nan 8.360 nan 0.000 0.403 335 V N 5.691 125.678 119.914 0.121 0.000 2.384 335 V HA 0.557 4.686 4.120 0.014 0.000 0.287 335 V C -0.147 175.994 176.094 0.078 0.000 1.020 335 V CA -0.620 61.722 62.300 0.071 0.000 0.850 335 V CB 1.020 32.863 31.823 0.035 0.000 0.987 335 V HN 0.740 nan 8.190 nan 0.000 0.436 336 R N 4.116 124.658 120.500 0.069 0.000 2.710 336 R HA 0.749 5.098 4.340 0.014 0.000 0.270 336 R C -1.954 174.376 176.300 0.049 0.000 1.021 336 R CA -0.962 55.179 56.100 0.069 0.000 0.889 336 R CB 1.961 32.316 30.300 0.091 0.000 1.243 336 R HN 0.489 nan 8.270 nan 0.000 0.464 337 I N 1.253 121.852 120.570 0.047 0.000 2.339 337 I HA 0.328 4.507 4.170 0.014 0.000 0.290 337 I C -0.688 175.452 176.117 0.039 0.000 0.994 337 I CA -0.404 60.917 61.300 0.035 0.000 1.191 337 I CB 1.825 39.847 38.000 0.036 0.000 1.343 337 I HN 0.716 nan 8.210 nan 0.000 0.458 338 E N 5.960 126.179 120.200 0.032 0.000 2.263 338 E HA 0.276 4.635 4.350 0.014 0.000 0.268 338 E C -0.238 176.376 176.600 0.023 0.000 0.884 338 E CA -0.542 55.879 56.400 0.034 0.000 0.766 338 E CB 1.009 30.735 29.700 0.044 0.000 1.196 338 E HN 0.506 nan 8.360 nan 0.000 0.416 339 N N 3.326 122.040 118.700 0.023 0.000 2.735 339 N HA -0.229 4.520 4.740 0.014 0.000 0.248 339 N C 0.468 175.985 175.510 0.010 0.000 1.083 339 N CA 2.059 55.119 53.050 0.016 0.000 0.703 339 N CB -1.151 37.345 38.487 0.014 0.000 1.005 339 N HN 1.010 nan 8.380 nan 0.000 0.550 340 G N -2.339 106.468 108.800 0.011 0.000 2.176 340 G HA2 -0.277 3.692 3.960 0.014 0.000 0.253 340 G HA3 -0.277 3.692 3.960 0.014 0.000 0.253 340 G C -0.097 174.798 174.900 -0.008 0.000 0.979 340 G CA 0.458 45.561 45.100 0.004 0.000 0.641 340 G HN 0.455 nan 8.290 nan 0.000 0.530 341 L N 0.012 121.230 121.223 -0.007 0.000 2.346 341 L HA 0.719 5.067 4.340 0.014 0.000 0.274 341 L C 0.150 177.009 176.870 -0.018 0.000 1.007 341 L CA -1.317 53.510 54.840 -0.021 0.000 0.818 341 L CB 1.907 43.952 42.059 -0.022 0.000 1.284 341 L HN 0.104 nan 8.230 nan 0.000 0.424 342 L N 4.237 125.436 121.223 -0.039 0.000 2.315 342 L HA 0.437 4.786 4.340 0.014 0.000 0.283 342 L C -0.887 175.959 176.870 -0.040 0.000 1.089 342 L CA 0.405 55.223 54.840 -0.037 0.000 0.833 342 L CB 0.301 42.325 42.059 -0.059 0.000 1.170 342 L HN 0.398 nan 8.230 nan 0.000 0.442 343 L N 5.951 127.168 121.223 -0.010 0.000 2.334 343 L HA 0.545 4.893 4.340 0.014 0.000 0.276 343 L C -0.840 176.036 176.870 0.010 0.000 1.014 343 L CA -0.800 54.041 54.840 0.002 0.000 0.815 343 L CB 1.931 44.014 42.059 0.041 0.000 1.268 343 L HN 0.542 nan 8.230 nan 0.000 0.428 344 L N 3.873 125.108 121.223 0.021 0.000 2.349 344 L HA 0.486 4.834 4.340 0.014 0.000 0.278 344 L C -0.175 176.699 176.870 0.005 0.000 0.996 344 L CA -0.046 54.815 54.840 0.034 0.000 0.825 344 L CB 0.932 43.036 42.059 0.074 0.000 1.243 344 L HN 0.593 nan 8.230 nan 0.000 0.412 345 N N 4.180 122.744 118.700 -0.227 0.000 2.727 345 N HA -0.222 4.526 4.740 0.014 0.000 0.249 345 N C 0.942 176.045 175.510 -0.678 0.000 1.048 345 N CA 1.285 53.842 53.050 -0.822 0.000 0.714 345 N CB -1.240 36.704 38.487 -0.904 0.000 0.959 345 N HN 1.173 nan 8.380 nan 0.000 0.544 346 G N -1.815 106.901 108.800 -0.139 0.000 2.184 346 G HA2 -0.356 3.613 3.960 0.014 0.000 0.264 346 G HA3 -0.356 3.613 3.960 0.014 0.000 0.264 346 G C -0.043 174.880 174.900 0.039 0.000 0.975 346 G CA 0.948 46.094 45.100 0.078 0.000 0.642 346 G HN 0.451 nan 8.290 nan 0.000 0.536 347 K N 0.806 121.219 120.400 0.022 0.000 2.207 347 K HA 0.513 4.842 4.320 0.014 0.000 0.255 347 K C -2.887 173.681 176.600 -0.053 0.000 0.941 347 K CA -2.036 54.228 56.287 -0.038 0.000 0.825 347 K CB 2.771 35.178 32.500 -0.155 0.000 1.119 347 K HN 0.038 nan 8.250 nan 0.000 0.430 348 P HA 0.251 nan 4.420 nan 0.000 0.287 348 P C -0.205 177.025 177.300 -0.116 0.000 1.294 348 P CA -0.300 62.750 63.100 -0.084 0.000 0.776 348 P CB 0.563 32.219 31.700 -0.074 0.000 0.889 349 L N 3.393 124.541 121.223 -0.125 0.000 2.466 349 L HA 0.356 4.705 4.340 0.014 0.000 0.257 349 L C 0.538 177.314 176.870 -0.156 0.000 1.189 349 L CA -0.721 54.029 54.840 -0.148 0.000 0.813 349 L CB 0.417 42.344 42.059 -0.220 0.000 1.118 349 L HN 0.247 nan 8.230 nan 0.000 0.471 350 L N 3.251 124.396 121.223 -0.131 0.000 2.388 350 L HA 0.418 4.766 4.340 0.014 0.000 0.267 350 L C -0.581 176.228 176.870 -0.102 0.000 0.995 350 L CA -0.275 54.473 54.840 -0.152 0.000 0.864 350 L CB 0.927 42.927 42.059 -0.099 0.000 1.216 350 L HN 0.231 nan 8.230 nan 0.000 0.430 351 I N 4.979 125.422 120.570 -0.212 0.000 2.421 351 I HA 0.180 4.359 4.170 0.014 0.000 0.291 351 I C 0.646 176.719 176.117 -0.073 0.000 1.089 351 I CA 0.282 61.463 61.300 -0.198 0.000 1.354 351 I CB 0.251 38.007 38.000 -0.406 0.000 1.413 351 I HN 0.562 nan 8.210 nan 0.000 0.513 352 R N 4.645 125.199 120.500 0.090 0.000 3.436 352 R HA 0.416 4.764 4.340 0.014 0.000 0.247 352 R C 0.589 177.031 176.300 0.237 0.000 1.434 352 R CA -0.258 55.944 56.100 0.170 0.000 1.543 352 R CB 0.759 30.990 30.300 -0.114 0.000 1.289 352 R HN 0.774 nan 8.270 nan 0.000 0.664 353 G N -0.118 108.784 108.800 0.170 0.000 2.601 353 G HA2 0.587 4.556 3.960 0.014 0.000 0.317 353 G HA3 0.587 4.556 3.960 0.014 0.000 0.317 353 G C -1.273 173.971 174.900 0.573 0.000 1.246 353 G CA -0.433 44.801 45.100 0.224 0.000 1.012 353 G HN 0.195 nan 8.290 nan 0.000 0.494 354 V N -0.205 119.995 119.914 0.477 0.000 2.932 354 V HA 0.446 4.574 4.120 0.014 0.000 0.307 354 V C -1.141 175.071 176.094 0.197 0.000 1.147 354 V CA -1.206 61.247 62.300 0.254 0.000 0.951 354 V CB 2.174 33.862 31.823 -0.226 0.000 1.031 354 V HN 0.761 nan 8.190 nan 0.000 0.426 355 N N 4.312 123.045 118.700 0.055 0.000 2.514 355 N HA 0.388 5.136 4.740 0.014 0.000 0.277 355 N C -0.673 174.622 175.510 -0.358 0.000 1.126 355 N CA -0.210 52.725 53.050 -0.192 0.000 0.978 355 N CB 1.342 39.628 38.487 -0.336 0.000 1.106 355 N HN 0.616 nan 8.380 nan 0.000 0.461 356 R N 2.182 122.444 120.500 -0.395 0.000 2.502 356 R HA 0.235 4.583 4.340 0.014 0.000 0.300 356 R C -0.859 175.188 176.300 -0.422 0.000 0.984 356 R CA -0.548 55.342 56.100 -0.351 0.000 0.882 356 R CB 0.884 30.963 30.300 -0.368 0.000 1.180 356 R HN 0.591 nan 8.270 nan 0.000 0.444 357 H N 2.060 120.977 119.070 -0.256 0.000 2.495 357 H HA 0.162 4.727 4.556 0.015 0.000 0.350 357 H C -0.528 174.784 175.328 -0.027 0.000 1.202 357 H CA -0.140 55.846 56.048 -0.102 0.000 1.322 357 H CB 1.541 31.307 29.762 0.007 0.000 1.544 357 H HN 0.561 nan 8.280 nan 0.000 0.565 358 E N 1.536 121.908 120.200 0.286 0.000 2.001 358 E HA 0.121 4.479 4.350 0.014 0.000 0.279 358 E C -0.840 175.897 176.600 0.227 0.000 1.045 358 E CA -0.047 56.445 56.400 0.153 0.000 0.833 358 E CB 0.344 30.147 29.700 0.171 0.000 1.077 358 E HN 0.376 nan 8.360 nan 0.000 0.397 359 H N 1.780 120.898 119.070 0.081 0.000 2.947 359 H HA 0.258 4.823 4.556 0.014 0.000 0.354 359 H C -1.711 173.669 175.328 0.086 0.000 1.085 359 H CA -0.665 55.429 56.048 0.077 0.000 1.253 359 H CB 1.052 30.847 29.762 0.055 0.000 1.757 359 H HN 0.397 nan 8.280 nan 0.000 0.523 360 H N 6.145 124.835 119.070 -0.634 0.000 2.667 360 H HA 0.220 4.784 4.556 0.014 0.000 0.353 360 H C -2.299 172.661 175.328 -0.614 0.000 1.072 360 H CA -2.437 53.376 56.048 -0.393 0.000 1.214 360 H CB 2.686 32.392 29.762 -0.093 0.000 1.600 360 H HN 0.540 nan 8.280 nan 0.000 0.527 361 P HA -0.077 nan 4.420 nan 0.000 0.220 361 P C 1.196 178.400 177.300 -0.160 0.000 1.148 361 P CA 0.848 63.810 63.100 -0.230 0.000 0.803 361 P CB 0.847 32.456 31.700 -0.153 0.000 0.782 362 L N -1.870 119.353 121.223 -0.000 0.000 2.362 362 L HA 0.104 4.453 4.340 0.014 0.000 0.204 362 L C 2.305 178.977 176.870 -0.329 0.000 1.060 362 L CA 0.679 55.396 54.840 -0.205 0.000 0.827 362 L CB -0.908 40.937 42.059 -0.357 0.000 1.027 362 L HN -0.014 nan 8.230 nan 0.000 0.474 363 H N -0.115 118.922 119.070 -0.055 0.000 2.551 363 H HA 0.246 4.811 4.556 0.014 0.000 0.266 363 H C 1.432 176.641 175.328 -0.199 0.000 0.977 363 H CA 0.414 56.330 56.048 -0.220 0.000 1.163 363 H CB 0.194 29.720 29.762 -0.393 0.000 1.381 363 H HN 0.413 nan 8.280 nan 0.000 0.581 364 G N 1.096 109.795 108.800 -0.167 0.000 2.588 364 G HA2 -0.358 3.611 3.960 0.014 0.000 0.273 364 G HA3 -0.358 3.611 3.960 0.014 0.000 0.273 364 G C 0.674 175.474 174.900 -0.167 0.000 1.211 364 G CA 0.258 45.212 45.100 -0.243 0.000 0.958 364 G HN 0.442 nan 8.290 nan 0.000 0.543 365 Q N -0.127 119.608 119.800 -0.108 0.000 2.247 365 Q HA 0.452 4.801 4.340 0.014 0.000 0.204 365 Q C 0.394 176.484 176.000 0.150 0.000 0.872 365 Q CA 0.008 55.794 55.803 -0.028 0.000 0.951 365 Q CB 1.395 30.004 28.738 -0.215 0.000 1.099 365 Q HN 0.353 nan 8.270 nan 0.000 0.501 366 V N 2.290 122.262 119.914 0.098 0.000 2.432 366 V HA 0.148 4.276 4.120 0.014 0.000 0.271 366 V C 0.101 176.214 176.094 0.032 0.000 1.046 366 V CA 0.071 62.426 62.300 0.091 0.000 0.945 366 V CB 0.872 32.688 31.823 -0.013 0.000 0.992 366 V HN 0.308 nan 8.190 nan 0.000 0.471 367 M N 4.866 124.492 119.600 0.045 0.000 2.363 367 M HA 0.461 4.950 4.480 0.014 0.000 0.343 367 M C -0.383 175.836 176.300 -0.135 0.000 1.165 367 M CA -0.731 54.546 55.300 -0.038 0.000 1.046 367 M CB 1.404 33.948 32.600 -0.093 0.000 1.648 367 M HN 0.912 nan 8.290 nan 0.000 0.452 368 D N -1.122 119.203 120.400 -0.125 0.000 2.490 368 D HA 0.273 4.922 4.640 0.014 0.000 0.232 368 D C 0.450 176.702 176.300 -0.079 0.000 1.053 368 D CA -0.703 53.226 54.000 -0.118 0.000 0.914 368 D CB 1.410 42.146 40.800 -0.107 0.000 1.431 368 D HN 0.681 nan 8.370 nan 0.000 0.483 369 E N 0.339 120.509 120.200 -0.050 0.000 2.070 369 E HA -0.409 3.949 4.350 0.014 0.000 0.197 369 E C 1.773 178.401 176.600 0.045 0.000 1.004 369 E CA 1.954 58.356 56.400 0.005 0.000 0.805 369 E CB 0.056 29.778 29.700 0.037 0.000 0.744 369 E HN 0.650 nan 8.360 nan 0.000 0.451 370 Q N -0.038 119.793 119.800 0.050 0.000 2.061 370 Q HA -0.169 4.179 4.340 0.014 0.000 0.204 370 Q C 2.028 178.082 176.000 0.090 0.000 0.984 370 Q CA 2.700 58.547 55.803 0.074 0.000 0.846 370 Q CB -0.515 28.269 28.738 0.078 0.000 0.902 370 Q HN 0.169 nan 8.270 nan 0.000 0.421 371 T N 0.761 115.377 114.554 0.103 0.000 2.746 371 T HA -0.105 4.254 4.350 0.014 0.000 0.267 371 T C 1.756 176.524 174.700 0.114 0.000 1.039 371 T CA 1.661 63.837 62.100 0.127 0.000 1.142 371 T CB -0.198 68.778 68.868 0.180 0.000 0.866 371 T HN 0.314 nan 8.240 nan 0.000 0.444 372 M N 0.495 120.159 119.600 0.108 0.000 2.086 372 M HA -0.100 4.389 4.480 0.014 0.000 0.261 372 M C 2.441 178.849 176.300 0.180 0.000 1.067 372 M CA 1.352 56.783 55.300 0.219 0.000 1.116 372 M CB -0.567 32.202 32.600 0.281 0.000 1.348 372 M HN 0.096 nan 8.290 nan 0.000 0.407 373 V N 0.179 120.142 119.914 0.082 0.000 2.343 373 V HA -0.293 3.835 4.120 0.014 0.000 0.247 373 V C 2.318 178.391 176.094 -0.035 0.000 1.051 373 V CA 2.077 64.366 62.300 -0.019 0.000 1.036 373 V CB -0.928 30.918 31.823 0.039 0.000 0.654 373 V HN 0.569 nan 8.190 nan 0.000 0.451 374 Q N -0.209 119.620 119.800 0.049 0.000 2.096 374 Q HA -0.273 4.075 4.340 0.014 0.000 0.204 374 Q C 1.961 178.015 176.000 0.089 0.000 0.982 374 Q CA 2.137 57.984 55.803 0.074 0.000 0.850 374 Q CB -0.146 28.655 28.738 0.105 0.000 0.901 374 Q HN 0.604 nan 8.270 nan 0.000 0.422 375 D N 0.447 120.912 120.400 0.108 0.000 2.097 375 D HA -0.139 4.510 4.640 0.014 0.000 0.195 375 D C 1.946 178.165 176.300 -0.136 0.000 0.989 375 D CA 1.187 55.235 54.000 0.081 0.000 0.827 375 D CB -0.200 40.634 40.800 0.056 0.000 0.966 375 D HN 0.362 nan 8.370 nan 0.000 0.456 376 I N 0.615 121.102 120.570 -0.139 0.000 2.226 376 I HA -0.245 3.934 4.170 0.014 0.000 0.245 376 I C 2.418 178.359 176.117 -0.293 0.000 1.100 376 I CA 0.668 61.775 61.300 -0.321 0.000 1.374 376 I CB -0.244 37.446 38.000 -0.515 0.000 1.057 376 I HN 0.023 nan 8.210 nan 0.000 0.413 377 L N 0.275 121.374 121.223 -0.208 0.000 2.017 377 L HA -0.240 4.109 4.340 0.014 0.000 0.208 377 L C 2.607 179.512 176.870 0.059 0.000 1.073 377 L CA 1.464 56.277 54.840 -0.045 0.000 0.745 377 L CB -0.613 41.465 42.059 0.032 0.000 0.894 377 L HN 0.260 nan 8.230 nan 0.000 0.432 378 L N -0.989 120.293 121.223 0.100 0.000 2.083 378 L HA -0.248 4.100 4.340 0.014 0.000 0.209 378 L C 2.676 179.681 176.870 0.224 0.000 1.083 378 L CA 1.357 56.344 54.840 0.245 0.000 0.752 378 L CB -0.320 42.011 42.059 0.453 0.000 0.899 378 L HN 0.302 nan 8.230 nan 0.000 0.433 379 M N -0.747 118.794 119.600 -0.099 0.000 2.086 379 M HA -0.222 4.267 4.480 0.014 0.000 0.261 379 M C 2.279 178.629 176.300 0.083 0.000 1.067 379 M CA 1.801 56.998 55.300 -0.171 0.000 1.116 379 M CB -0.355 31.902 32.600 -0.571 0.000 1.348 379 M HN 0.058 nan 8.290 nan 0.000 0.407 380 K N 0.143 120.464 120.400 -0.131 0.000 2.097 380 K HA -0.174 4.155 4.320 0.014 0.000 0.206 380 K C 1.940 178.401 176.600 -0.231 0.000 1.049 380 K CA 1.295 57.362 56.287 -0.366 0.000 0.933 380 K CB -0.218 31.796 32.500 -0.810 0.000 0.717 380 K HN 0.460 nan 8.250 nan 0.000 0.442 381 Q N 0.302 120.168 119.800 0.111 0.000 2.364 381 Q HA -0.034 4.314 4.340 0.014 0.000 0.207 381 Q C 0.710 176.988 176.000 0.463 0.000 0.970 381 Q CA 0.658 56.687 55.803 0.376 0.000 0.888 381 Q CB 0.161 29.142 28.738 0.404 0.000 0.951 381 Q HN 0.242 nan 8.270 nan 0.000 0.469 382 N N 0.662 119.575 118.700 0.355 0.000 2.321 382 N HA 0.057 4.805 4.740 0.014 0.000 0.242 382 N C -0.663 174.925 175.510 0.129 0.000 1.141 382 N CA 0.024 53.281 53.050 0.344 0.000 0.864 382 N CB 0.680 39.460 38.487 0.488 0.000 1.100 382 N HN 0.139 nan 8.380 nan 0.000 0.510 383 N N 0.287 119.075 118.700 0.148 0.000 2.725 383 N HA -0.202 4.546 4.740 0.014 0.000 0.249 383 N C -0.804 174.640 175.510 -0.110 0.000 1.103 383 N CA 0.839 53.955 53.050 0.109 0.000 0.707 383 N CB -1.736 36.762 38.487 0.017 0.000 1.043 383 N HN 0.269 nan 8.380 nan 0.000 0.553 384 F N 0.943 120.912 119.950 0.031 0.000 2.375 384 F HA 0.284 4.819 4.527 0.014 0.000 0.333 384 F C 1.793 177.597 175.800 0.006 0.000 1.104 384 F CA -0.526 57.481 58.000 0.012 0.000 1.149 384 F CB 0.807 39.790 39.000 -0.027 0.000 1.190 384 F HN 0.062 nan 8.300 nan 0.000 0.533 385 N N 0.507 119.343 118.700 0.227 0.000 2.143 385 N HA 0.427 5.176 4.740 0.014 0.000 0.222 385 N C -0.859 174.738 175.510 0.146 0.000 1.264 385 N CA 0.018 53.145 53.050 0.128 0.000 0.897 385 N CB 0.712 39.337 38.487 0.229 0.000 1.092 385 N HN 0.477 nan 8.380 nan 0.000 0.516 386 A N -0.511 122.458 122.820 0.247 0.000 2.606 386 A HA 0.763 5.091 4.320 0.014 0.000 0.293 386 A C -1.787 176.033 177.584 0.394 0.000 1.082 386 A CA -0.709 51.536 52.037 0.346 0.000 0.685 386 A CB 1.864 21.096 19.000 0.386 0.000 1.284 386 A HN 0.250 nan 8.150 nan 0.000 0.408 387 V N 1.045 121.226 119.914 0.446 0.000 2.808 387 V HA 0.752 4.880 4.120 0.014 0.000 0.308 387 V C -0.598 175.589 176.094 0.156 0.000 1.099 387 V CA -0.662 61.829 62.300 0.318 0.000 0.920 387 V CB 1.785 33.731 31.823 0.205 0.000 1.014 387 V HN 1.083 nan 8.190 nan 0.000 0.425 388 R N 5.141 125.552 120.500 -0.149 0.000 2.294 388 R HA 0.462 4.810 4.340 0.014 0.000 0.319 388 R C -0.601 175.531 176.300 -0.280 0.000 0.984 388 R CA -0.445 55.389 56.100 -0.444 0.000 0.861 388 R CB 0.956 30.794 30.300 -0.771 0.000 1.104 388 R HN 0.814 nan 8.270 nan 0.000 0.451 389 C N 4.635 123.810 119.300 -0.207 0.000 3.031 389 C HA 0.093 4.561 4.460 0.014 0.000 0.489 389 C C 0.500 175.198 174.990 -0.488 0.000 1.020 389 C CA -0.357 58.494 59.018 -0.277 0.000 1.104 389 C CB -2.088 25.602 27.740 -0.084 0.000 1.470 389 C HN 0.740 nan 8.230 nan 0.000 0.583 390 S N 1.690 116.979 115.700 -0.685 0.000 2.465 390 S HA 0.172 4.650 4.470 0.014 0.000 0.280 390 S C -0.082 173.583 174.600 -1.558 0.000 1.232 390 S CA 0.127 57.662 58.200 -1.109 0.000 1.066 390 S CB 0.137 62.665 63.200 -1.120 0.000 0.929 390 S HN 0.732 nan 8.310 nan 0.000 0.494 391 H N 3.654 122.065 119.070 -1.098 0.000 2.511 391 H HA 0.315 4.880 4.556 0.014 0.000 0.228 391 H C -1.179 174.006 175.328 -0.237 0.000 1.424 391 H CA -0.348 55.467 56.048 -0.389 0.000 1.321 391 H CB -0.172 29.580 29.762 -0.016 0.000 1.720 391 H HN 0.886 nan 8.280 nan 0.000 0.512 392 Y N -2.952 117.434 120.300 0.144 0.000 2.732 392 Y HA 0.405 4.964 4.550 0.015 0.000 0.342 392 Y C -3.297 172.697 175.900 0.157 0.000 1.203 392 Y CA -3.155 55.042 58.100 0.162 0.000 1.092 392 Y CB 0.020 38.579 38.460 0.166 0.000 1.345 392 Y HN -0.100 nan 8.280 nan 0.000 0.458 393 P HA 0.134 nan 4.420 nan 0.000 0.268 393 P C -0.597 176.978 177.300 0.459 0.000 1.204 393 P CA 0.240 63.587 63.100 0.412 0.000 0.768 393 P CB 0.550 32.429 31.700 0.298 0.000 0.842 394 N N 0.634 119.603 118.700 0.447 0.000 2.447 394 N HA 0.084 4.833 4.740 0.014 0.000 0.271 394 N C 0.146 175.872 175.510 0.360 0.000 1.226 394 N CA -0.607 52.622 53.050 0.299 0.000 0.980 394 N CB 0.300 38.763 38.487 -0.040 0.000 1.206 394 N HN 0.600 nan 8.380 nan 0.000 0.558 395 H N 2.198 121.352 119.070 0.140 0.000 3.064 395 H HA -0.012 4.552 4.556 0.014 0.000 0.329 395 H C -1.632 173.840 175.328 0.239 0.000 1.020 395 H CA -0.728 55.390 56.048 0.118 0.000 1.402 395 H CB 0.958 30.754 29.762 0.057 0.000 1.379 395 H HN 0.424 nan 8.280 nan 0.000 0.594 396 P HA -0.205 nan 4.420 nan 0.000 0.217 396 P C 1.846 179.443 177.300 0.495 0.000 1.148 396 P CA 0.672 64.000 63.100 0.381 0.000 0.828 396 P CB 0.214 31.986 31.700 0.121 0.000 0.783 397 L N -0.937 120.671 121.223 0.643 0.000 2.131 397 L HA -0.065 4.283 4.340 0.014 0.000 0.210 397 L C 2.409 179.451 176.870 0.287 0.000 1.092 397 L CA 1.450 56.529 54.840 0.397 0.000 0.759 397 L CB -1.459 40.769 42.059 0.283 0.000 0.903 397 L HN 0.024 nan 8.230 nan 0.000 0.435 398 W N -0.463 120.866 121.300 0.048 0.000 2.305 398 W HA -0.364 4.304 4.660 0.013 0.000 0.308 398 W C 2.121 178.500 176.519 -0.234 0.000 1.226 398 W CA 2.075 59.309 57.345 -0.186 0.000 1.253 398 W CB -0.363 28.878 29.460 -0.366 0.000 1.146 398 W HN 0.286 nan 8.180 nan 0.000 0.507 399 Y N 0.484 120.714 120.300 -0.117 0.000 2.200 399 Y HA -0.215 4.343 4.550 0.014 0.000 0.290 399 Y C 2.867 178.566 175.900 -0.335 0.000 1.137 399 Y CA 2.142 59.974 58.100 -0.446 0.000 1.163 399 Y CB -1.338 36.514 38.460 -1.012 0.000 0.988 399 Y HN -0.233 nan 8.280 nan 0.000 0.518 400 T N 0.803 115.390 114.554 0.055 0.000 2.746 400 T HA -0.164 4.194 4.350 0.014 0.000 0.267 400 T C 1.987 176.731 174.700 0.073 0.000 1.039 400 T CA 1.474 63.671 62.100 0.161 0.000 1.142 400 T CB -0.576 68.423 68.868 0.218 0.000 0.866 400 T HN 0.228 nan 8.240 nan 0.000 0.444 401 L N 0.316 121.539 121.223 0.001 0.000 2.083 401 L HA -0.106 4.242 4.340 0.014 0.000 0.209 401 L C 2.878 179.719 176.870 -0.049 0.000 1.083 401 L CA 0.886 55.739 54.840 0.021 0.000 0.752 401 L CB -0.776 41.233 42.059 -0.083 0.000 0.899 401 L HN 0.370 nan 8.230 nan 0.000 0.433 402 C N -0.171 118.947 119.300 -0.304 0.000 2.425 402 C HA -0.145 4.324 4.460 0.014 0.000 0.277 402 C C 2.427 177.456 174.990 0.063 0.000 1.280 402 C CA 0.493 59.356 59.018 -0.257 0.000 1.744 402 C CB -0.793 26.695 27.740 -0.419 0.000 1.989 402 C HN 0.542 nan 8.230 nan 0.000 0.491 403 D N 0.457 120.900 120.400 0.072 0.000 2.097 403 D HA -0.097 4.551 4.640 0.014 0.000 0.195 403 D C 2.413 178.915 176.300 0.337 0.000 0.989 403 D CA 1.233 55.348 54.000 0.192 0.000 0.827 403 D CB -0.325 40.553 40.800 0.131 0.000 0.966 403 D HN 0.524 nan 8.370 nan 0.000 0.456 404 R N -0.976 119.631 120.500 0.177 0.000 2.080 404 R HA 0.005 4.354 4.340 0.014 0.000 0.222 404 R C 2.239 178.536 176.300 -0.006 0.000 1.107 404 R CA 0.632 56.775 56.100 0.072 0.000 0.980 404 R CB -0.261 30.010 30.300 -0.048 0.000 0.879 404 R HN 0.281 nan 8.270 nan 0.000 0.439 405 Y N 0.004 120.316 120.300 0.019 0.000 2.420 405 Y HA 0.139 4.697 4.550 0.014 0.000 0.292 405 Y C 0.984 176.826 175.900 -0.097 0.000 1.119 405 Y CA 0.830 58.916 58.100 -0.022 0.000 1.229 405 Y CB 0.613 39.024 38.460 -0.082 0.000 1.026 405 Y HN 0.270 nan 8.280 nan 0.000 0.554 406 G N 1.152 109.999 108.800 0.079 0.000 2.780 406 G HA2 -0.140 3.829 3.960 0.014 0.000 0.364 406 G HA3 -0.140 3.829 3.960 0.014 0.000 0.364 406 G C -1.175 173.578 174.900 -0.245 0.000 1.045 406 G CA -0.551 44.471 45.100 -0.130 0.000 1.202 406 G HN 0.160 nan 8.290 nan 0.000 0.534 407 L N 0.836 121.973 121.223 -0.143 0.000 2.445 407 L HA 0.524 4.873 4.340 0.014 0.000 0.262 407 L C -0.117 176.732 176.870 -0.036 0.000 0.974 407 L CA -1.318 53.397 54.840 -0.208 0.000 0.822 407 L CB 2.060 44.021 42.059 -0.164 0.000 1.339 407 L HN 0.440 nan 8.230 nan 0.000 0.409 408 Y N 1.483 121.916 120.300 0.223 0.000 2.319 408 Y HA 0.446 5.006 4.550 0.017 0.000 0.328 408 Y C 0.154 176.181 175.900 0.212 0.000 1.133 408 Y CA -0.731 57.532 58.100 0.272 0.000 1.265 408 Y CB 1.518 40.117 38.460 0.232 0.000 1.218 408 Y HN 0.146 nan 8.280 nan 0.000 0.508 409 V N 4.119 124.219 119.914 0.310 0.000 2.680 409 V HA 0.327 4.455 4.120 0.014 0.000 0.309 409 V C -0.625 175.546 176.094 0.128 0.000 1.052 409 V CA -1.031 61.388 62.300 0.197 0.000 0.908 409 V CB 2.027 33.927 31.823 0.127 0.000 1.001 409 V HN 0.452 nan 8.190 nan 0.000 0.431 410 V N 3.066 123.018 119.914 0.064 0.000 2.333 410 V HA 0.328 4.456 4.120 0.014 0.000 0.274 410 V C -0.360 175.757 176.094 0.038 0.000 1.028 410 V CA -0.314 61.977 62.300 -0.015 0.000 0.851 410 V CB 1.434 33.142 31.823 -0.190 0.000 1.000 410 V HN 0.879 nan 8.190 nan 0.000 0.456 411 D N 4.286 124.744 120.400 0.096 0.000 2.274 411 D HA 0.293 4.942 4.640 0.014 0.000 0.239 411 D C -0.230 176.252 176.300 0.305 0.000 1.104 411 D CA -0.120 54.030 54.000 0.251 0.000 0.840 411 D CB 1.228 42.204 40.800 0.293 0.000 1.100 411 D HN 0.674 nan 8.370 nan 0.000 0.477 412 E N 2.122 122.465 120.200 0.239 0.000 2.176 412 E HA 0.604 4.963 4.350 0.014 0.000 0.267 412 E C -0.893 175.843 176.600 0.226 0.000 0.893 412 E CA -1.057 55.472 56.400 0.215 0.000 0.761 412 E CB 1.268 31.045 29.700 0.128 0.000 1.133 412 E HN 0.477 nan 8.360 nan 0.000 0.409 413 A N 4.033 126.980 122.820 0.211 0.000 2.531 413 A HA -0.008 4.320 4.320 0.014 0.000 0.236 413 A C 0.418 178.123 177.584 0.202 0.000 1.062 413 A CA -0.119 52.021 52.037 0.172 0.000 0.760 413 A CB 0.070 19.137 19.000 0.111 0.000 0.995 413 A HN 0.721 nan 8.150 nan 0.000 0.501 414 N N 1.416 120.242 118.700 0.211 0.000 3.103 414 N HA 0.226 4.974 4.740 0.014 0.000 0.305 414 N C -0.980 174.655 175.510 0.209 0.000 1.232 414 N CA 0.236 53.443 53.050 0.260 0.000 1.190 414 N CB -0.877 37.764 38.487 0.257 0.000 1.461 414 N HN 0.490 nan 8.380 nan 0.000 0.538 415 I N 0.700 121.388 120.570 0.197 0.000 2.468 415 I HA 0.294 4.472 4.170 0.014 0.000 0.284 415 I C -0.535 175.682 176.117 0.166 0.000 1.038 415 I CA -0.641 60.758 61.300 0.165 0.000 1.083 415 I CB 1.743 39.813 38.000 0.117 0.000 1.223 415 I HN 0.206 nan 8.210 nan 0.000 0.443 416 E N 4.212 124.505 120.200 0.156 0.000 2.287 416 E HA 0.362 4.721 4.350 0.014 0.000 0.274 416 E C -0.613 176.048 176.600 0.102 0.000 0.896 416 E CA -0.498 55.967 56.400 0.108 0.000 0.788 416 E CB 1.638 31.385 29.700 0.077 0.000 1.244 416 E HN 0.596 nan 8.360 nan 0.000 0.408 417 T N 0.678 115.284 114.554 0.086 0.000 3.415 417 T HA 0.163 4.521 4.350 0.014 0.000 0.282 417 T C 0.904 175.656 174.700 0.087 0.000 1.007 417 T CA -0.271 61.904 62.100 0.125 0.000 0.958 417 T CB -0.301 68.621 68.868 0.089 0.000 1.171 417 T HN 0.672 nan 8.240 nan 0.000 0.500 418 H N 1.284 120.274 119.070 -0.134 0.000 2.321 418 H HA -0.105 4.460 4.556 0.015 0.000 0.295 418 H C 2.358 177.575 175.328 -0.184 0.000 1.102 418 H CA 1.491 57.430 56.048 -0.182 0.000 1.266 418 H CB -0.261 29.353 29.762 -0.246 0.000 1.363 418 H HN 0.581 nan 8.280 nan 0.000 0.492 419 G N 0.348 109.025 108.800 -0.205 0.000 2.625 419 G HA2 -0.106 3.863 3.960 0.014 0.000 0.214 419 G HA3 -0.106 3.863 3.960 0.014 0.000 0.214 419 G C 0.546 175.586 174.900 0.233 0.000 1.132 419 G CA -0.006 45.038 45.100 -0.093 0.000 0.782 419 G HN 0.159 nan 8.290 nan 0.000 0.538 420 M N 0.158 119.924 119.600 0.277 0.000 2.207 420 M HA 0.308 4.796 4.480 0.014 0.000 0.311 420 M C -0.290 176.048 176.300 0.063 0.000 1.127 420 M CA -0.273 55.121 55.300 0.157 0.000 1.181 420 M CB 1.313 33.959 32.600 0.077 0.000 1.409 420 M HN -0.197 nan 8.290 nan 0.000 0.461 421 V N 3.750 123.678 119.914 0.022 0.000 2.447 421 V HA 0.354 4.482 4.120 0.014 0.000 0.292 421 V C -1.992 174.095 176.094 -0.012 0.000 1.021 421 V CA -1.290 61.009 62.300 -0.000 0.000 0.850 421 V CB 1.742 33.560 31.823 -0.008 0.000 1.005 421 V HN 0.734 nan 8.190 nan 0.000 0.426 422 P HA 0.263 nan 4.420 nan 0.000 0.277 422 P C 1.053 178.354 177.300 0.002 0.000 1.276 422 P CA -0.553 62.542 63.100 -0.008 0.000 0.788 422 P CB 0.989 32.685 31.700 -0.007 0.000 1.114 423 M N 0.647 120.252 119.600 0.009 0.000 2.202 423 M HA -0.184 4.305 4.480 0.014 0.000 0.262 423 M C 1.157 177.476 176.300 0.032 0.000 1.063 423 M CA 1.923 57.237 55.300 0.024 0.000 1.097 423 M CB -0.459 32.144 32.600 0.005 0.000 1.382 423 M HN 0.366 nan 8.290 nan 0.000 0.413 424 N N -0.146 118.573 118.700 0.032 0.000 2.313 424 N HA -0.069 4.680 4.740 0.014 0.000 0.207 424 N C 1.135 176.626 175.510 -0.031 0.000 1.141 424 N CA 0.158 53.229 53.050 0.035 0.000 0.830 424 N CB -0.716 37.812 38.487 0.067 0.000 1.008 424 N HN 0.364 nan 8.380 nan 0.000 0.481 425 R N 0.413 120.882 120.500 -0.052 0.000 2.103 425 R HA -0.028 4.320 4.340 0.014 0.000 0.242 425 R C 1.523 177.727 176.300 -0.161 0.000 1.142 425 R CA 1.469 57.515 56.100 -0.090 0.000 0.960 425 R CB -0.056 30.188 30.300 -0.094 0.000 0.858 425 R HN 0.287 nan 8.270 nan 0.000 0.439 426 L N -0.728 120.344 121.223 -0.252 0.000 2.127 426 L HA -0.032 4.317 4.340 0.014 0.000 0.203 426 L C 2.537 179.257 176.870 -0.250 0.000 1.080 426 L CA 1.409 55.980 54.840 -0.448 0.000 0.768 426 L CB -0.685 40.882 42.059 -0.821 0.000 0.924 426 L HN 0.374 nan 8.230 nan 0.000 0.444 427 T N -4.153 110.289 114.554 -0.187 0.000 3.007 427 T HA -0.180 4.179 4.350 0.014 0.000 0.270 427 T C 1.270 175.871 174.700 -0.166 0.000 1.107 427 T CA 1.347 63.318 62.100 -0.214 0.000 1.118 427 T CB -0.232 68.472 68.868 -0.274 0.000 0.889 427 T HN 0.131 nan 8.240 nan 0.000 0.506 428 D N 0.875 121.216 120.400 -0.098 0.000 2.369 428 D HA 0.110 4.758 4.640 0.014 0.000 0.211 428 D C -0.211 176.063 176.300 -0.043 0.000 1.077 428 D CA -0.216 53.740 54.000 -0.074 0.000 0.842 428 D CB -0.057 40.708 40.800 -0.058 0.000 0.947 428 D HN 0.313 nan 8.370 nan 0.000 0.509 429 D N -0.057 120.330 120.400 -0.021 0.000 2.317 429 D HA 0.115 4.764 4.640 0.014 0.000 0.234 429 D C -1.634 174.714 176.300 0.081 0.000 1.112 429 D CA -2.196 51.830 54.000 0.043 0.000 0.840 429 D CB 1.975 42.834 40.800 0.099 0.000 1.078 429 D HN -0.033 nan 8.370 nan 0.000 0.486 430 P HA -0.126 nan 4.420 nan 0.000 0.219 430 P C 1.032 178.345 177.300 0.022 0.000 1.146 430 P CA 0.809 63.922 63.100 0.022 0.000 0.808 430 P CB 0.279 31.979 31.700 0.000 0.000 0.779 431 R N -1.752 118.771 120.500 0.038 0.000 2.237 431 R HA -0.086 4.262 4.340 0.014 0.000 0.219 431 R C 1.445 177.665 176.300 -0.134 0.000 1.080 431 R CA 1.085 57.148 56.100 -0.061 0.000 0.995 431 R CB -0.584 29.671 30.300 -0.075 0.000 0.875 431 R HN 0.347 nan 8.270 nan 0.000 0.462 432 W N 0.124 121.370 121.300 -0.090 0.000 3.220 432 W HA 0.152 4.820 4.660 0.014 0.000 0.328 432 W C 1.530 177.992 176.519 -0.094 0.000 1.205 432 W CA -0.566 56.725 57.345 -0.089 0.000 1.773 432 W CB 0.004 29.410 29.460 -0.091 0.000 1.086 432 W HN -0.000 nan 8.180 nan 0.000 0.622 433 L N 2.066 123.329 121.223 0.067 0.000 2.046 433 L HA -0.041 4.308 4.340 0.014 0.000 0.208 433 L C -0.746 176.098 176.870 -0.044 0.000 1.077 433 L CA 2.221 57.058 54.840 -0.004 0.000 0.747 433 L CB -1.502 40.541 42.059 -0.026 0.000 0.896 433 L HN -0.244 nan 8.230 nan 0.000 0.432 434 P HA -0.141 nan 4.420 nan 0.000 0.214 434 P C 1.645 178.897 177.300 -0.079 0.000 1.162 434 P CA 2.163 65.209 63.100 -0.090 0.000 0.879 434 P CB -0.234 31.403 31.700 -0.105 0.000 0.786 435 A N -0.942 121.845 122.820 -0.055 0.000 1.908 435 A HA -0.216 4.113 4.320 0.014 0.000 0.218 435 A C 2.255 179.855 177.584 0.027 0.000 1.181 435 A CA 2.071 54.106 52.037 -0.003 0.000 0.627 435 A CB -1.530 17.505 19.000 0.059 0.000 0.818 435 A HN 0.105 nan 8.150 nan 0.000 0.445 436 M N 0.281 119.908 119.600 0.045 0.000 2.132 436 M HA -0.156 4.333 4.480 0.014 0.000 0.263 436 M C 2.553 178.803 176.300 -0.083 0.000 1.065 436 M CA 1.741 57.041 55.300 0.001 0.000 1.122 436 M CB -0.407 32.172 32.600 -0.036 0.000 1.365 436 M HN 0.682 nan 8.290 nan 0.000 0.411 437 S N 0.322 115.946 115.700 -0.128 0.000 2.374 437 S HA -0.213 4.266 4.470 0.014 0.000 0.227 437 S C 1.622 176.052 174.600 -0.283 0.000 1.037 437 S CA 1.634 59.691 58.200 -0.239 0.000 1.024 437 S CB -0.657 62.379 63.200 -0.275 0.000 0.861 437 S HN 0.537 nan 8.310 nan 0.000 0.456 438 E N 0.938 121.022 120.200 -0.193 0.000 2.204 438 E HA -0.040 4.319 4.350 0.014 0.000 0.194 438 E C 2.445 178.955 176.600 -0.149 0.000 0.989 438 E CA 0.665 56.955 56.400 -0.185 0.000 0.824 438 E CB -0.099 29.530 29.700 -0.120 0.000 0.756 438 E HN 0.576 nan 8.360 nan 0.000 0.477 439 R N 0.075 120.519 120.500 -0.093 0.000 2.120 439 R HA -0.096 4.253 4.340 0.014 0.000 0.234 439 R C 2.250 178.509 176.300 -0.067 0.000 1.123 439 R CA 0.903 56.980 56.100 -0.038 0.000 0.975 439 R CB -0.033 30.283 30.300 0.027 0.000 0.866 439 R HN 0.035 nan 8.270 nan 0.000 0.446 440 V N 0.111 119.941 119.914 -0.139 0.000 2.341 440 V HA -0.172 3.957 4.120 0.014 0.000 0.240 440 V C 2.522 178.435 176.094 -0.302 0.000 1.035 440 V CA 2.094 64.290 62.300 -0.174 0.000 1.033 440 V CB -0.329 31.382 31.823 -0.186 0.000 0.678 440 V HN 0.511 nan 8.190 nan 0.000 0.464 441 T N -0.664 113.575 114.554 -0.525 0.000 2.788 441 T HA -0.236 4.122 4.350 0.014 0.000 0.268 441 T C 1.884 176.406 174.700 -0.298 0.000 1.044 441 T CA 1.443 63.126 62.100 -0.695 0.000 1.139 441 T CB -0.388 67.823 68.868 -1.094 0.000 0.867 441 T HN 0.419 nan 8.240 nan 0.000 0.454 442 R N 0.044 120.402 120.500 -0.236 0.000 2.193 442 R HA 0.297 4.646 4.340 0.014 0.000 0.213 442 R C 2.584 178.798 176.300 -0.144 0.000 1.055 442 R CA 1.001 57.002 56.100 -0.165 0.000 0.995 442 R CB -0.402 29.811 30.300 -0.145 0.000 0.893 442 R HN 0.472 nan 8.270 nan 0.000 0.459 443 M N 0.622 120.142 119.600 -0.133 0.000 2.099 443 M HA -0.140 4.349 4.480 0.014 0.000 0.262 443 M C 1.801 178.008 176.300 -0.155 0.000 1.067 443 M CA 1.671 56.922 55.300 -0.081 0.000 1.124 443 M CB 0.100 32.696 32.600 -0.006 0.000 1.353 443 M HN -0.025 nan 8.290 nan 0.000 0.410 444 V N 1.026 120.728 119.914 -0.353 0.000 2.343 444 V HA -0.293 3.835 4.120 0.014 0.000 0.247 444 V C 2.274 178.239 176.094 -0.215 0.000 1.051 444 V CA 2.017 63.977 62.300 -0.568 0.000 1.036 444 V CB -0.993 30.470 31.823 -0.600 0.000 0.654 444 V HN 0.592 nan 8.190 nan 0.000 0.451 445 Q N -0.610 119.103 119.800 -0.144 0.000 2.170 445 Q HA -0.230 4.119 4.340 0.014 0.000 0.203 445 Q C 2.476 178.378 176.000 -0.163 0.000 0.976 445 Q CA 1.619 57.346 55.803 -0.127 0.000 0.858 445 Q CB -0.185 28.498 28.738 -0.092 0.000 0.907 445 Q HN 0.548 nan 8.270 nan 0.000 0.433 446 R N 0.292 120.692 120.500 -0.167 0.000 2.080 446 R HA -0.087 4.261 4.340 0.014 0.000 0.222 446 R C 0.507 176.726 176.300 -0.134 0.000 1.107 446 R CA 1.287 57.266 56.100 -0.201 0.000 0.980 446 R CB 0.408 30.594 30.300 -0.190 0.000 0.879 446 R HN 0.129 nan 8.270 nan 0.000 0.439 447 D N -0.154 120.237 120.400 -0.015 0.000 2.369 447 D HA -0.005 4.643 4.640 0.014 0.000 0.211 447 D C 1.317 177.721 176.300 0.174 0.000 1.077 447 D CA 0.091 54.133 54.000 0.069 0.000 0.842 447 D CB 0.250 41.053 40.800 0.005 0.000 0.947 447 D HN 0.353 nan 8.370 nan 0.000 0.509 448 R N 0.602 121.211 120.500 0.182 0.000 2.249 448 R HA -0.025 4.324 4.340 0.014 0.000 0.230 448 R C 0.654 176.955 176.300 0.001 0.000 1.121 448 R CA 0.942 57.159 56.100 0.196 0.000 0.997 448 R CB -0.245 30.116 30.300 0.101 0.000 0.867 448 R HN -0.070 nan 8.270 nan 0.000 0.465 449 N N 0.240 118.864 118.700 -0.128 0.000 2.280 449 N HA 0.004 4.753 4.740 0.014 0.000 0.192 449 N C -0.523 174.850 175.510 -0.228 0.000 1.109 449 N CA 0.211 53.157 53.050 -0.172 0.000 0.855 449 N CB 0.112 38.478 38.487 -0.202 0.000 0.974 449 N HN 0.277 nan 8.380 nan 0.000 0.482 450 H N 1.486 120.483 119.070 -0.122 0.000 2.800 450 H HA 0.098 4.662 4.556 0.014 0.000 0.291 450 H C -1.193 173.974 175.328 -0.268 0.000 1.076 450 H CA -1.249 54.707 56.048 -0.155 0.000 1.452 450 H CB 1.415 31.108 29.762 -0.115 0.000 1.461 450 H HN 0.071 nan 8.280 nan 0.000 0.488 451 P HA -0.159 nan 4.420 nan 0.000 0.218 451 P C 1.492 178.300 177.300 -0.819 0.000 1.149 451 P CA 1.187 63.911 63.100 -0.627 0.000 0.817 451 P CB 0.251 31.317 31.700 -1.056 0.000 0.785 452 S N -0.909 114.419 115.700 -0.621 0.000 2.419 452 S HA -0.050 4.429 4.470 0.014 0.000 0.233 452 S C 1.086 175.653 174.600 -0.056 0.000 1.016 452 S CA 0.422 58.450 58.200 -0.287 0.000 0.974 452 S CB -1.513 61.674 63.200 -0.021 0.000 0.786 452 S HN -0.055 nan 8.310 nan 0.000 0.492 453 V N 3.573 123.422 119.914 -0.107 0.000 2.439 453 V HA 0.244 4.373 4.120 0.014 0.000 0.271 453 V C 1.088 177.045 176.094 -0.228 0.000 1.040 453 V CA -0.036 62.169 62.300 -0.159 0.000 1.002 453 V CB 0.433 32.057 31.823 -0.331 0.000 1.000 453 V HN 0.633 nan 8.190 nan 0.000 0.477 454 I N 2.677 123.175 120.570 -0.120 0.000 4.187 454 I HA 0.518 4.696 4.170 0.014 0.000 0.326 454 I C 0.364 176.383 176.117 -0.163 0.000 1.302 454 I CA 0.561 61.805 61.300 -0.094 0.000 1.196 454 I CB 0.476 38.512 38.000 0.059 0.000 1.095 454 I HN 0.327 nan 8.210 nan 0.000 0.411 455 I N 0.046 120.492 120.570 -0.207 0.000 2.752 455 I HA 0.352 4.531 4.170 0.014 0.000 0.295 455 I C -1.575 174.443 176.117 -0.166 0.000 1.219 455 I CA -0.371 60.845 61.300 -0.140 0.000 1.030 455 I CB 2.095 40.104 38.000 0.015 0.000 1.259 455 I HN 0.022 nan 8.210 nan 0.000 0.423 456 W N 3.917 125.263 121.300 0.077 0.000 2.438 456 W HA 0.631 5.298 4.660 0.012 0.000 0.324 456 W C 0.385 176.965 176.519 0.102 0.000 1.119 456 W CA -0.587 56.807 57.345 0.083 0.000 1.221 456 W CB 1.744 31.246 29.460 0.070 0.000 1.253 456 W HN 0.322 nan 8.180 nan 0.000 0.555 457 S N 2.833 118.758 115.700 0.374 0.000 2.500 457 S HA 0.395 4.873 4.470 0.014 0.000 0.301 457 S C 0.207 174.968 174.600 0.269 0.000 1.092 457 S CA -0.719 57.653 58.200 0.287 0.000 1.030 457 S CB 0.880 64.207 63.200 0.212 0.000 1.031 457 S HN 0.578 nan 8.310 nan 0.000 0.483 458 L N 4.051 125.417 121.223 0.239 0.000 2.610 458 L HA 0.326 4.674 4.340 0.014 0.000 0.232 458 L C 1.459 178.369 176.870 0.066 0.000 1.149 458 L CA 0.574 55.467 54.840 0.089 0.000 0.872 458 L CB -1.200 40.801 42.059 -0.096 0.000 0.992 458 L HN 1.027 nan 8.230 nan 0.000 0.447 459 G N 0.088 109.019 108.800 0.218 0.000 2.295 459 G HA2 -0.158 3.810 3.960 0.014 0.000 0.195 459 G HA3 -0.158 3.810 3.960 0.014 0.000 0.195 459 G C -1.466 173.630 174.900 0.326 0.000 1.269 459 G CA -0.431 44.811 45.100 0.237 0.000 1.170 459 G HN 0.216 nan 8.290 nan 0.000 0.511 460 N N 0.080 118.921 118.700 0.235 0.000 2.405 460 N HA 0.472 5.221 4.740 0.014 0.000 0.274 460 N C -0.526 174.941 175.510 -0.071 0.000 1.170 460 N CA 0.098 53.144 53.050 -0.006 0.000 0.848 460 N CB 1.602 39.817 38.487 -0.453 0.000 1.629 460 N HN 0.893 nan 8.380 nan 0.000 0.481 461 E N 0.630 120.689 120.200 -0.235 0.000 2.106 461 E HA -0.181 4.177 4.350 0.014 0.000 0.175 461 E C -0.847 175.666 176.600 -0.145 0.000 1.448 461 E CA 0.836 57.019 56.400 -0.363 0.000 0.672 461 E CB -1.246 27.996 29.700 -0.763 0.000 1.057 461 E HN 0.443 nan 8.360 nan 0.000 0.321 462 S N 0.068 115.820 115.700 0.087 0.000 2.977 462 S HA 0.413 4.891 4.470 0.014 0.000 0.250 462 S C 0.614 175.369 174.600 0.259 0.000 1.005 462 S CA -0.260 58.051 58.200 0.185 0.000 1.081 462 S CB 1.398 64.765 63.200 0.279 0.000 1.018 462 S HN 0.850 nan 8.310 nan 0.000 0.539 463 G N 2.049 110.932 108.800 0.140 0.000 2.633 463 G HA2 -0.270 3.698 3.960 0.014 0.000 0.263 463 G HA3 -0.270 3.698 3.960 0.014 0.000 0.263 463 G C -0.509 174.585 174.900 0.324 0.000 1.310 463 G CA -0.113 45.079 45.100 0.153 0.000 0.914 463 G HN 0.681 nan 8.290 nan 0.000 0.569 464 H N 0.450 119.635 119.070 0.192 0.000 2.800 464 H HA 0.577 5.142 4.556 0.015 0.000 0.322 464 H C 0.347 175.853 175.328 0.297 0.000 0.979 464 H CA -0.129 56.078 56.048 0.265 0.000 1.277 464 H CB 0.579 30.427 29.762 0.145 0.000 1.484 464 H HN 1.006 nan 8.280 nan 0.000 0.512 465 G N 1.666 110.633 108.800 0.279 0.000 2.498 465 G HA2 0.441 4.409 3.960 0.014 0.000 0.312 465 G HA3 0.441 4.409 3.960 0.014 0.000 0.312 465 G C 0.636 175.428 174.900 -0.180 0.000 1.230 465 G CA -0.175 44.870 45.100 -0.092 0.000 0.968 465 G HN 0.698 nan 8.290 nan 0.000 0.481 466 A N 0.693 123.414 122.820 -0.164 0.000 2.076 466 A HA -0.114 4.214 4.320 0.014 0.000 0.220 466 A C 2.106 179.663 177.584 -0.044 0.000 1.160 466 A CA 1.810 53.794 52.037 -0.088 0.000 0.653 466 A CB -0.376 18.592 19.000 -0.053 0.000 0.801 466 A HN 0.539 nan 8.150 nan 0.000 0.455 467 N N -0.363 118.274 118.700 -0.104 0.000 2.289 467 N HA -0.129 4.619 4.740 0.014 0.000 0.184 467 N C 1.338 176.788 175.510 -0.101 0.000 1.016 467 N CA 1.579 54.556 53.050 -0.121 0.000 0.872 467 N CB -0.610 37.760 38.487 -0.195 0.000 0.973 467 N HN 0.795 nan 8.380 nan 0.000 0.433 468 H N 0.127 119.188 119.070 -0.016 0.000 2.389 468 H HA -0.006 4.558 4.556 0.014 0.000 0.299 468 H C 1.182 176.584 175.328 0.124 0.000 1.081 468 H CA 1.091 57.141 56.048 0.005 0.000 1.345 468 H CB 0.217 30.006 29.762 0.045 0.000 1.393 468 H HN 0.164 nan 8.280 nan 0.000 0.520 469 D N 0.472 121.034 120.400 0.270 0.000 2.117 469 D HA -0.138 4.511 4.640 0.014 0.000 0.197 469 D C 2.293 178.747 176.300 0.256 0.000 0.987 469 D CA 1.220 55.371 54.000 0.251 0.000 0.829 469 D CB -0.417 40.494 40.800 0.185 0.000 0.961 469 D HN 0.424 nan 8.370 nan 0.000 0.460 470 A N 0.685 123.605 122.820 0.168 0.000 1.902 470 A HA -0.103 4.225 4.320 0.014 0.000 0.217 470 A C 2.392 180.088 177.584 0.185 0.000 1.181 470 A CA 0.939 53.066 52.037 0.149 0.000 0.623 470 A CB -0.715 18.331 19.000 0.076 0.000 0.818 470 A HN 0.209 nan 8.150 nan 0.000 0.443 471 L N -2.176 119.142 121.223 0.158 0.000 2.240 471 L HA -0.096 4.253 4.340 0.014 0.000 0.211 471 L C 2.520 179.531 176.870 0.235 0.000 1.106 471 L CA 1.232 56.166 54.840 0.156 0.000 0.793 471 L CB -0.613 41.470 42.059 0.041 0.000 0.927 471 L HN 0.605 nan 8.230 nan 0.000 0.446 472 Y N 1.270 121.653 120.300 0.138 0.000 2.145 472 Y HA -0.296 4.260 4.550 0.011 0.000 0.286 472 Y C 2.790 178.769 175.900 0.132 0.000 1.145 472 Y CA 1.615 59.797 58.100 0.138 0.000 1.148 472 Y CB -0.074 38.469 38.460 0.137 0.000 0.981 472 Y HN -0.036 nan 8.280 nan 0.000 0.507 473 R N -0.114 120.516 120.500 0.217 0.000 2.115 473 R HA -0.172 4.176 4.340 0.014 0.000 0.230 473 R C 1.958 178.263 176.300 0.009 0.000 1.111 473 R CA 1.710 57.851 56.100 0.068 0.000 0.976 473 R CB -1.434 28.977 30.300 0.186 0.000 0.870 473 R HN 0.640 nan 8.270 nan 0.000 0.445 474 W N 0.562 121.825 121.300 -0.062 0.000 2.335 474 W HA -0.161 4.508 4.660 0.015 0.000 0.311 474 W C 1.583 178.013 176.519 -0.149 0.000 1.213 474 W CA 2.015 59.307 57.345 -0.088 0.000 1.274 474 W CB -0.281 29.128 29.460 -0.085 0.000 1.148 474 W HN 0.077 nan 8.180 nan 0.000 0.498 475 I N 0.859 121.398 120.570 -0.053 0.000 2.226 475 I HA -0.354 3.824 4.170 0.014 0.000 0.245 475 I C 2.413 178.326 176.117 -0.341 0.000 1.100 475 I CA 1.364 62.495 61.300 -0.281 0.000 1.374 475 I CB -0.703 37.209 38.000 -0.148 0.000 1.057 475 I HN -0.099 nan 8.210 nan 0.000 0.413 476 K N 0.684 120.896 120.400 -0.312 0.000 2.152 476 K HA -0.100 4.229 4.320 0.014 0.000 0.206 476 K C 2.214 178.682 176.600 -0.220 0.000 1.048 476 K CA 1.383 57.511 56.287 -0.264 0.000 0.933 476 K CB -0.492 31.823 32.500 -0.308 0.000 0.721 476 K HN 0.290 nan 8.250 nan 0.000 0.447 477 S N 0.743 116.278 115.700 -0.276 0.000 2.362 477 S HA -0.040 4.438 4.470 0.014 0.000 0.221 477 S C 2.229 176.619 174.600 -0.349 0.000 1.032 477 S CA 0.776 58.816 58.200 -0.267 0.000 0.973 477 S CB -0.127 62.924 63.200 -0.249 0.000 0.849 477 S HN -0.008 nan 8.310 nan 0.000 0.465 478 V N 1.376 120.942 119.914 -0.580 0.000 2.591 478 V HA 0.020 4.148 4.120 0.014 0.000 0.249 478 V C 0.409 176.274 176.094 -0.381 0.000 1.053 478 V CA 1.257 63.194 62.300 -0.605 0.000 1.068 478 V CB -0.256 30.860 31.823 -1.178 0.000 0.689 478 V HN 0.408 nan 8.190 nan 0.000 0.462 479 D N -1.118 119.105 120.400 -0.294 0.000 2.330 479 D HA 0.267 4.916 4.640 0.014 0.000 0.249 479 D C -2.330 173.951 176.300 -0.031 0.000 1.306 479 D CA -1.583 52.350 54.000 -0.111 0.000 0.956 479 D CB 1.726 42.535 40.800 0.015 0.000 1.261 479 D HN 0.065 nan 8.370 nan 0.000 0.544 480 P HA 0.010 nan 4.420 nan 0.000 0.245 480 P C 1.098 178.415 177.300 0.028 0.000 1.212 480 P CA 0.383 63.475 63.100 -0.014 0.000 0.774 480 P CB 0.210 31.897 31.700 -0.020 0.000 0.999 481 S N -1.262 114.464 115.700 0.043 0.000 2.522 481 S HA 0.076 4.555 4.470 0.014 0.000 0.227 481 S C 0.830 175.459 174.600 0.048 0.000 0.986 481 S CA -0.062 58.170 58.200 0.053 0.000 0.929 481 S CB -0.357 62.870 63.200 0.045 0.000 0.769 481 S HN 0.059 nan 8.310 nan 0.000 0.529 482 R N 1.012 121.550 120.500 0.063 0.000 2.686 482 R HA 0.570 4.918 4.340 0.014 0.000 0.283 482 R C -3.244 173.105 176.300 0.081 0.000 0.978 482 R CA -2.259 53.849 56.100 0.013 0.000 0.897 482 R CB 1.347 31.549 30.300 -0.164 0.000 1.192 482 R HN 0.121 nan 8.270 nan 0.000 0.457 483 P HA 0.080 nan 4.420 nan 0.000 0.272 483 P C -0.791 176.604 177.300 0.159 0.000 1.230 483 P CA -0.376 62.782 63.100 0.097 0.000 0.788 483 P CB 0.663 32.407 31.700 0.074 0.000 0.949 484 V N 2.382 122.412 119.914 0.193 0.000 2.513 484 V HA 0.428 4.556 4.120 0.014 0.000 0.299 484 V C 0.229 176.494 176.094 0.285 0.000 1.035 484 V CA -0.308 62.151 62.300 0.265 0.000 0.889 484 V CB 1.205 33.143 31.823 0.192 0.000 0.988 484 V HN 0.616 nan 8.190 nan 0.000 0.440 485 Q N 3.542 123.498 119.800 0.260 0.000 2.458 485 Q HA 0.811 5.160 4.340 0.014 0.000 0.282 485 Q C -1.821 174.341 176.000 0.271 0.000 1.106 485 Q CA -0.941 54.987 55.803 0.209 0.000 0.814 485 Q CB 2.965 31.775 28.738 0.121 0.000 1.425 485 Q HN 0.649 nan 8.270 nan 0.000 0.437 486 Y N 0.079 120.390 120.300 0.019 0.000 2.409 486 Y HA 0.156 4.714 4.550 0.013 0.000 0.321 486 Y C -0.678 175.164 175.900 -0.097 0.000 1.209 486 Y CA -0.740 57.339 58.100 -0.035 0.000 1.086 486 Y CB 2.037 40.465 38.460 -0.052 0.000 1.320 486 Y HN 0.948 nan 8.280 nan 0.000 0.440 487 E N 3.411 123.119 120.200 -0.820 0.000 2.340 487 E HA 0.155 4.513 4.350 0.014 0.000 0.194 487 E C 0.618 176.738 176.600 -0.800 0.000 0.996 487 E CA 0.687 56.708 56.400 -0.632 0.000 0.869 487 E CB 0.288 29.752 29.700 -0.393 0.000 0.835 487 E HN 0.891 nan 8.360 nan 0.000 0.493 488 G N -0.030 107.851 108.800 -1.530 0.000 2.474 488 G HA2 0.238 4.206 3.960 0.014 0.000 0.233 488 G HA3 0.238 4.206 3.960 0.014 0.000 0.233 488 G C 0.810 175.543 174.900 -0.278 0.000 1.278 488 G CA 0.310 44.968 45.100 -0.736 0.000 0.861 488 G HN 0.353 nan 8.290 nan 0.000 0.567 489 G N -0.426 108.321 108.800 -0.088 0.000 2.147 489 G HA2 0.238 4.207 3.960 0.014 0.000 0.244 489 G HA3 0.238 4.207 3.960 0.014 0.000 0.244 489 G C 1.243 176.145 174.900 0.002 0.000 1.005 489 G CA 0.937 46.053 45.100 0.027 0.000 0.713 489 G HN 2.624 nan 8.290 nan 0.000 0.515 490 G N -1.476 107.312 108.800 -0.019 0.000 2.205 490 G HA2 0.436 4.404 3.960 0.014 0.000 0.180 490 G HA3 0.436 4.404 3.960 0.014 0.000 0.180 490 G C 1.075 176.077 174.900 0.169 0.000 1.004 490 G CA 1.333 46.485 45.100 0.086 0.000 0.670 490 G HN 2.336 nan 8.290 nan 0.000 0.496 491 A N -0.186 122.620 122.820 -0.024 0.000 3.721 491 A HA -0.153 4.176 4.320 0.014 0.000 0.270 491 A C 1.153 178.664 177.584 -0.122 0.000 1.036 491 A CA 2.711 54.677 52.037 -0.118 0.000 1.102 491 A CB -1.756 17.150 19.000 -0.156 0.000 1.100 491 A HN 2.118 nan 8.150 nan 0.000 0.887 492 D N -0.887 119.528 120.400 0.025 0.000 2.692 492 D HA 0.307 4.955 4.640 0.014 0.000 0.290 492 D C 0.442 176.740 176.300 -0.004 0.000 1.455 492 D CA 0.874 54.894 54.000 0.033 0.000 0.796 492 D CB -1.169 39.789 40.800 0.264 0.000 1.131 492 D HN 0.822 nan 8.370 nan 0.000 0.467 493 T N -2.184 112.299 114.554 -0.117 0.000 2.689 493 T HA 0.187 4.546 4.350 0.014 0.000 0.308 493 T C 1.466 176.026 174.700 -0.233 0.000 1.021 493 T CA 0.493 62.452 62.100 -0.235 0.000 0.973 493 T CB 0.613 69.095 68.868 -0.645 0.000 1.113 493 T HN 0.091 nan 8.240 nan 0.000 0.522 494 T N -2.805 111.599 114.554 -0.250 0.000 3.252 494 T HA 0.390 4.749 4.350 0.014 0.000 0.250 494 T C 1.235 175.674 174.700 -0.435 0.000 1.123 494 T CA -0.013 61.952 62.100 -0.225 0.000 1.006 494 T CB -0.436 68.385 68.868 -0.079 0.000 0.992 494 T HN 0.825 nan 8.240 nan 0.000 0.547 495 A N 0.516 123.091 122.820 -0.408 0.000 2.545 495 A HA 0.549 4.877 4.320 0.014 0.000 0.277 495 A C 0.703 178.159 177.584 -0.214 0.000 1.301 495 A CA -0.415 51.373 52.037 -0.416 0.000 0.935 495 A CB 0.175 19.186 19.000 0.018 0.000 1.093 495 A HN 0.427 nan 8.150 nan 0.000 0.519 496 T N -1.475 112.949 114.554 -0.216 0.000 2.912 496 T HA 0.382 4.741 4.350 0.014 0.000 0.299 496 T C -0.606 174.129 174.700 0.059 0.000 1.052 496 T CA -0.415 61.704 62.100 0.032 0.000 0.996 496 T CB 1.311 70.176 68.868 -0.004 0.000 1.070 496 T HN 0.078 nan 8.240 nan 0.000 0.465 497 D N 2.652 123.162 120.400 0.185 0.000 2.348 497 D HA 0.276 4.924 4.640 0.014 0.000 0.211 497 D C 0.340 176.673 176.300 0.055 0.000 0.998 497 D CA 0.681 54.770 54.000 0.148 0.000 0.873 497 D CB 0.458 41.370 40.800 0.186 0.000 0.925 497 D HN 0.527 nan 8.370 nan 0.000 0.524 498 I N 0.855 121.439 120.570 0.023 0.000 2.545 498 I HA 0.261 4.440 4.170 0.014 0.000 0.292 498 I C -0.244 175.807 176.117 -0.110 0.000 1.040 498 I CA -0.910 60.367 61.300 -0.037 0.000 1.068 498 I CB 2.898 40.887 38.000 -0.018 0.000 1.251 498 I HN -0.360 nan 8.210 nan 0.000 0.424 499 I N 5.496 125.949 120.570 -0.194 0.000 2.436 499 I HA 0.060 4.238 4.170 0.014 0.000 0.289 499 I C 0.143 176.043 176.117 -0.362 0.000 1.083 499 I CA 0.025 61.110 61.300 -0.358 0.000 1.372 499 I CB 0.262 37.942 38.000 -0.534 0.000 1.408 499 I HN 0.684 nan 8.210 nan 0.000 0.516 500 C N 5.627 124.733 119.300 -0.323 0.000 3.290 500 C HA 0.455 4.923 4.460 0.014 0.000 0.206 500 C C -2.122 172.734 174.990 -0.224 0.000 1.639 500 C CA -2.289 56.595 59.018 -0.224 0.000 1.408 500 C CB -1.098 26.572 27.740 -0.116 0.000 2.197 500 C HN 0.410 nan 8.230 nan 0.000 0.508 501 P HA 0.257 nan 4.420 nan 0.000 0.271 501 P C -0.405 176.841 177.300 -0.091 0.000 1.233 501 P CA 0.471 63.468 63.100 -0.171 0.000 0.789 501 P CB 0.712 32.327 31.700 -0.142 0.000 0.951 502 M N -0.076 119.495 119.600 -0.050 0.000 2.243 502 M HA 0.438 4.926 4.480 0.014 0.000 0.324 502 M C -0.698 175.559 176.300 -0.071 0.000 1.031 502 M CA -0.702 54.461 55.300 -0.229 0.000 0.949 502 M CB 1.324 33.777 32.600 -0.245 0.000 1.615 502 M HN 0.332 nan 8.290 nan 0.000 0.430 503 Y N -0.373 120.100 120.300 0.287 0.000 4.409 503 Y HA -0.231 4.328 4.550 0.015 0.000 0.228 503 Y C 0.565 176.647 175.900 0.302 0.000 1.108 503 Y CA 0.458 58.731 58.100 0.289 0.000 1.955 503 Y CB -2.233 36.369 38.460 0.236 0.000 1.615 503 Y HN 0.975 nan 8.280 nan 0.000 0.665 504 A N 1.159 124.199 122.820 0.367 0.000 2.425 504 A HA 0.560 4.889 4.320 0.014 0.000 0.249 504 A C 0.717 178.538 177.584 0.396 0.000 1.084 504 A CA -0.414 51.853 52.037 0.383 0.000 0.781 504 A CB 0.381 19.649 19.000 0.447 0.000 1.019 504 A HN 0.420 nan 8.150 nan 0.000 0.490 505 R N 1.413 122.079 120.500 0.276 0.000 2.546 505 R HA 0.341 4.690 4.340 0.014 0.000 0.266 505 R C 1.027 177.318 176.300 -0.015 0.000 1.086 505 R CA -0.737 55.453 56.100 0.150 0.000 1.160 505 R CB 0.581 30.932 30.300 0.085 0.000 1.138 505 R HN 0.479 nan 8.270 nan 0.000 0.567 506 V N 0.663 120.401 119.914 -0.295 0.000 2.244 506 V HA -0.206 3.922 4.120 0.014 0.000 0.244 506 V C 0.947 176.933 176.094 -0.180 0.000 1.042 506 V CA 1.893 63.978 62.300 -0.358 0.000 1.006 506 V CB -0.242 31.228 31.823 -0.587 0.000 0.641 506 V HN 0.754 nan 8.190 nan 0.000 0.446 507 D N -1.526 118.798 120.400 -0.126 0.000 2.479 507 D HA 0.101 4.749 4.640 0.014 0.000 0.221 507 D C 0.885 177.172 176.300 -0.023 0.000 1.104 507 D CA 0.037 53.996 54.000 -0.069 0.000 0.849 507 D CB 0.677 41.441 40.800 -0.060 0.000 1.072 507 D HN 0.479 nan 8.370 nan 0.000 0.502 508 E N 2.061 122.253 120.200 -0.013 0.000 2.167 508 E HA 0.089 4.448 4.350 0.014 0.000 0.284 508 E C -0.732 175.879 176.600 0.019 0.000 1.016 508 E CA -0.579 55.823 56.400 0.004 0.000 0.817 508 E CB 0.905 30.608 29.700 0.004 0.000 1.080 508 E HN -0.153 nan 8.360 nan 0.000 0.397 509 D N 3.721 124.138 120.400 0.027 0.000 2.339 509 D HA 0.087 4.735 4.640 0.014 0.000 0.245 509 D C -0.475 175.749 176.300 -0.126 0.000 1.115 509 D CA 0.327 54.351 54.000 0.040 0.000 0.917 509 D CB 1.053 41.951 40.800 0.164 0.000 1.192 509 D HN 0.447 nan 8.370 nan 0.000 0.428 510 Q N 1.243 120.856 119.800 -0.312 0.000 2.932 510 Q HA 0.237 4.585 4.340 0.014 0.000 0.248 510 Q C -2.249 173.151 176.000 -1.000 0.000 0.982 510 Q CA -1.492 53.919 55.803 -0.653 0.000 0.730 510 Q CB 2.244 30.607 28.738 -0.625 0.000 1.249 510 Q HN 0.149 nan 8.270 nan 0.000 0.476 511 P HA 0.023 nan 4.420 nan 0.000 0.225 511 P C -0.697 176.291 177.300 -0.520 0.000 1.768 511 P CA -0.137 62.559 63.100 -0.674 0.000 0.943 511 P CB -0.621 30.909 31.700 -0.285 0.000 1.936 512 F N 1.851 121.635 119.950 -0.276 0.000 2.563 512 F HA 0.149 4.684 4.527 0.013 0.000 0.363 512 F C -1.130 174.566 175.800 -0.173 0.000 1.123 512 F CA -2.203 55.690 58.000 -0.179 0.000 1.307 512 F CB -0.780 38.131 39.000 -0.148 0.000 1.115 512 F HN 0.060 nan 8.300 nan 0.000 0.592 513 P HA 0.040 nan 4.420 nan 0.000 0.266 513 P C 0.412 177.727 177.300 0.025 0.000 1.195 513 P CA 1.055 64.172 63.100 0.029 0.000 0.768 513 P CB 0.902 32.619 31.700 0.029 0.000 0.838 514 A N 2.635 125.461 122.820 0.009 0.000 3.310 514 A HA -0.259 4.069 4.320 0.014 0.000 0.240 514 A C 0.765 178.352 177.584 0.005 0.000 0.530 514 A CA 2.200 54.246 52.037 0.016 0.000 1.129 514 A CB -2.661 16.351 19.000 0.019 0.000 1.333 514 A HN 0.741 nan 8.150 nan 0.000 0.674 515 V N -3.377 116.534 119.914 -0.005 0.000 2.468 515 V HA 0.549 4.677 4.120 0.014 0.000 0.256 515 V C -2.384 173.692 176.094 -0.029 0.000 0.998 515 V CA -1.308 60.986 62.300 -0.009 0.000 1.114 515 V CB 0.583 32.404 31.823 -0.004 0.000 1.378 515 V HN 0.432 nan 8.190 nan 0.000 0.573 516 P HA 0.227 nan 4.420 nan 0.000 0.269 516 P C -0.587 176.321 177.300 -0.653 0.000 1.215 516 P CA 0.267 62.995 63.100 -0.620 0.000 0.780 516 P CB 0.843 31.631 31.700 -1.519 0.000 0.898 517 K N 2.096 122.195 120.400 -0.503 0.000 2.419 517 K HA 0.215 4.543 4.320 0.014 0.000 0.244 517 K C -0.388 175.991 176.600 -0.369 0.000 1.045 517 K CA -0.272 55.901 56.287 -0.190 0.000 1.004 517 K CB 0.423 33.070 32.500 0.245 0.000 1.376 517 K HN 0.470 nan 8.250 nan 0.000 0.460 518 W N 1.197 122.199 121.300 -0.497 0.000 2.093 518 W HA 0.058 4.728 4.660 0.016 0.000 0.352 518 W C 1.341 177.868 176.519 0.013 0.000 1.294 518 W CA -0.490 56.653 57.345 -0.337 0.000 1.290 518 W CB 0.470 29.555 29.460 -0.626 0.000 1.149 518 W HN 0.353 nan 8.180 nan 0.000 0.606 519 S N 2.659 118.526 115.700 0.279 0.000 2.558 519 S HA -0.073 4.405 4.470 0.014 0.000 0.293 519 S C 1.231 175.980 174.600 0.249 0.000 1.292 519 S CA -0.236 58.070 58.200 0.177 0.000 1.063 519 S CB 0.092 63.343 63.200 0.085 0.000 0.831 519 S HN 0.488 nan 8.310 nan 0.000 0.499 520 I N 2.476 123.160 120.570 0.189 0.000 2.361 520 I HA -0.135 4.043 4.170 0.014 0.000 0.251 520 I C 1.984 178.134 176.117 0.055 0.000 1.133 520 I CA 1.225 62.639 61.300 0.190 0.000 1.413 520 I CB -0.419 37.641 38.000 0.100 0.000 1.073 520 I HN 0.571 nan 8.210 nan 0.000 0.424 521 K N 1.655 121.983 120.400 -0.121 0.000 2.057 521 K HA -0.159 4.169 4.320 0.014 0.000 0.207 521 K C 2.321 178.922 176.600 0.002 0.000 1.049 521 K CA 1.759 57.890 56.287 -0.259 0.000 0.931 521 K CB -0.211 32.064 32.500 -0.376 0.000 0.714 521 K HN 0.364 nan 8.250 nan 0.000 0.440 522 K N -0.024 120.396 120.400 0.034 0.000 2.155 522 K HA -0.164 4.165 4.320 0.014 0.000 0.203 522 K C 1.863 178.499 176.600 0.060 0.000 1.052 522 K CA 0.807 57.104 56.287 0.017 0.000 0.948 522 K CB -0.067 32.400 32.500 -0.054 0.000 0.728 522 K HN 0.224 nan 8.250 nan 0.000 0.448 523 W N 2.162 123.456 121.300 -0.011 0.000 2.338 523 W HA -0.184 4.482 4.660 0.010 0.000 0.304 523 W C 1.621 178.137 176.519 -0.006 0.000 1.212 523 W CA 1.105 58.462 57.345 0.020 0.000 1.264 523 W CB -0.616 28.928 29.460 0.139 0.000 1.142 523 W HN 0.079 nan 8.180 nan 0.000 0.512 524 L N 0.834 122.224 121.223 0.278 0.000 2.127 524 L HA -0.238 4.110 4.340 0.014 0.000 0.211 524 L C 2.133 179.076 176.870 0.122 0.000 1.089 524 L CA 1.949 56.884 54.840 0.158 0.000 0.757 524 L CB -0.941 41.196 42.059 0.131 0.000 0.899 524 L HN -0.015 nan 8.230 nan 0.000 0.434 525 S N -1.326 114.432 115.700 0.097 0.000 2.583 525 S HA 0.286 4.764 4.470 0.014 0.000 0.239 525 S C 0.444 175.043 174.600 -0.002 0.000 0.966 525 S CA -0.564 57.664 58.200 0.045 0.000 0.973 525 S CB -0.461 62.763 63.200 0.040 0.000 0.794 525 S HN 0.141 nan 8.310 nan 0.000 0.463 526 L N 2.004 123.223 121.223 -0.007 0.000 2.483 526 L HA 0.255 4.604 4.340 0.014 0.000 0.276 526 L C -2.207 174.643 176.870 -0.032 0.000 1.213 526 L CA -1.858 52.934 54.840 -0.080 0.000 0.843 526 L CB -0.311 41.682 42.059 -0.110 0.000 1.107 526 L HN 0.032 nan 8.230 nan 0.000 0.487 527 P HA -0.058 nan 4.420 nan 0.000 0.260 527 P C 0.795 178.095 177.300 -0.001 0.000 1.172 527 P CA 1.134 64.218 63.100 -0.026 0.000 0.760 527 P CB 0.468 32.147 31.700 -0.036 0.000 0.773 528 G N 1.687 110.492 108.800 0.008 0.000 2.245 528 G HA2 -0.299 3.669 3.960 0.014 0.000 0.264 528 G HA3 -0.299 3.669 3.960 0.014 0.000 0.264 528 G C 0.317 175.236 174.900 0.033 0.000 0.985 528 G CA 0.279 45.391 45.100 0.019 0.000 0.625 528 G HN 0.627 nan 8.290 nan 0.000 0.536 529 E N 1.040 121.266 120.200 0.043 0.000 2.338 529 E HA 0.567 4.926 4.350 0.014 0.000 0.272 529 E C 1.380 178.008 176.600 0.047 0.000 1.029 529 E CA 0.728 57.166 56.400 0.063 0.000 0.872 529 E CB 0.766 30.532 29.700 0.110 0.000 1.015 529 E HN 0.561 nan 8.360 nan 0.000 0.417 530 T N 0.644 115.221 114.554 0.039 0.000 3.130 530 T HA 0.328 4.686 4.350 0.014 0.000 0.288 530 T C 0.548 175.259 174.700 0.018 0.000 0.936 530 T CA -0.457 61.660 62.100 0.028 0.000 0.897 530 T CB 0.102 68.985 68.868 0.025 0.000 1.178 530 T HN 0.248 nan 8.240 nan 0.000 0.543 531 R N 2.323 122.829 120.500 0.011 0.000 2.637 531 R HA 0.465 4.813 4.340 0.014 0.000 0.269 531 R C -2.522 173.759 176.300 -0.033 0.000 1.089 531 R CA -1.910 54.184 56.100 -0.010 0.000 1.177 531 R CB 0.125 30.412 30.300 -0.022 0.000 1.091 531 R HN 0.235 nan 8.270 nan 0.000 0.540 532 P HA 0.084 nan 4.420 nan 0.000 0.274 532 P C -1.061 176.168 177.300 -0.118 0.000 1.237 532 P CA -0.062 62.996 63.100 -0.070 0.000 0.793 532 P CB 0.724 32.383 31.700 -0.068 0.000 0.977 533 L N 2.691 123.824 121.223 -0.150 0.000 2.409 533 L HA 0.584 4.933 4.340 0.014 0.000 0.272 533 L C -1.120 175.605 176.870 -0.241 0.000 0.980 533 L CA -0.661 54.051 54.840 -0.213 0.000 0.826 533 L CB 0.862 42.791 42.059 -0.217 0.000 1.268 533 L HN 0.236 nan 8.230 nan 0.000 0.407 534 I N 5.495 125.928 120.570 -0.229 0.000 2.512 534 I HA 0.278 4.456 4.170 0.014 0.000 0.287 534 I C -0.825 175.195 176.117 -0.163 0.000 1.069 534 I CA -0.546 60.603 61.300 -0.252 0.000 1.056 534 I CB 2.053 39.955 38.000 -0.163 0.000 1.229 534 I HN 0.463 nan 8.210 nan 0.000 0.429 535 L N 5.394 126.492 121.223 -0.208 0.000 2.416 535 L HA 0.074 4.422 4.340 0.014 0.000 0.272 535 L C 1.444 178.390 176.870 0.127 0.000 1.161 535 L CA -0.157 54.635 54.840 -0.080 0.000 0.845 535 L CB 0.737 42.731 42.059 -0.109 0.000 1.119 535 L HN 0.866 nan 8.230 nan 0.000 0.464 536 C N -0.145 119.211 119.300 0.093 0.000 2.468 536 C HA 0.154 4.623 4.460 0.014 0.000 0.277 536 C C 0.539 175.687 174.990 0.264 0.000 1.400 536 C CA -0.231 58.895 59.018 0.179 0.000 1.770 536 C CB -1.172 26.589 27.740 0.035 0.000 1.905 536 C HN 0.822 nan 8.230 nan 0.000 0.519 537 E N -0.691 119.595 120.200 0.144 0.000 2.321 537 E HA 0.589 4.947 4.350 0.014 0.000 0.281 537 E C -1.381 175.186 176.600 -0.056 0.000 0.910 537 E CA -0.401 56.090 56.400 0.151 0.000 0.770 537 E CB 1.787 31.450 29.700 -0.063 0.000 1.225 537 E HN 0.683 nan 8.360 nan 0.000 0.417 538 Y N -1.180 119.118 120.300 -0.003 0.000 2.670 538 Y HA 0.655 5.215 4.550 0.016 0.000 0.334 538 Y C -0.557 175.510 175.900 0.278 0.000 1.185 538 Y CA -0.922 57.170 58.100 -0.014 0.000 1.053 538 Y CB 1.045 39.346 38.460 -0.265 0.000 1.298 538 Y HN 0.672 nan 8.280 nan 0.000 0.459 539 A N 1.806 124.696 122.820 0.116 0.000 2.416 539 A HA -0.269 4.059 4.320 0.014 0.000 0.293 539 A C -0.405 177.319 177.584 0.234 0.000 1.452 539 A CA 1.037 53.139 52.037 0.107 0.000 0.738 539 A CB -2.528 16.420 19.000 -0.087 0.000 1.123 539 A HN 1.081 nan 8.150 nan 0.000 0.389 540 H N 0.719 119.968 119.070 0.298 0.000 3.253 540 H HA 0.283 4.847 4.556 0.014 0.000 0.250 540 H C 1.080 176.498 175.328 0.149 0.000 1.051 540 H CA 0.766 57.010 56.048 0.326 0.000 1.458 540 H CB 0.314 30.160 29.762 0.139 0.000 1.549 540 H HN 0.801 nan 8.280 nan 0.000 0.506 541 A N 6.722 129.505 122.820 -0.061 0.000 2.916 541 A HA 0.061 4.389 4.320 0.014 0.000 0.254 541 A C 0.868 178.349 177.584 -0.172 0.000 1.544 541 A CA -0.379 51.584 52.037 -0.123 0.000 1.224 541 A CB -0.674 18.231 19.000 -0.159 0.000 1.012 541 A HN 0.800 nan 8.150 nan 0.000 0.636 542 M N 1.529 121.014 119.600 -0.192 0.000 2.156 542 M HA 0.434 4.923 4.480 0.014 0.000 0.345 542 M C 1.063 177.217 176.300 -0.243 0.000 1.398 542 M CA 1.214 56.390 55.300 -0.205 0.000 1.148 542 M CB -0.156 32.366 32.600 -0.130 0.000 1.663 542 M HN 0.830 nan 8.290 nan 0.000 0.464 543 G N 4.353 112.985 108.800 -0.279 0.000 2.574 543 G HA2 -0.350 3.618 3.960 0.014 0.000 0.286 543 G HA3 -0.350 3.618 3.960 0.014 0.000 0.286 543 G C -0.122 174.293 174.900 -0.808 0.000 1.212 543 G CA 0.105 44.869 45.100 -0.560 0.000 0.979 543 G HN 0.832 nan 8.290 nan 0.000 0.557 544 N N 1.309 119.360 118.700 -1.083 0.000 2.466 544 N HA 0.477 5.225 4.740 0.014 0.000 0.263 544 N C 0.071 175.318 175.510 -0.438 0.000 1.178 544 N CA 1.109 53.664 53.050 -0.826 0.000 0.983 544 N CB 0.430 38.422 38.487 -0.825 0.000 1.331 544 N HN 0.808 nan 8.380 nan 0.000 0.500 545 S N 2.118 117.654 115.700 -0.273 0.000 3.144 545 S HA 0.599 5.077 4.470 0.014 0.000 0.325 545 S C -0.038 174.499 174.600 -0.105 0.000 1.161 545 S CA -0.330 57.768 58.200 -0.171 0.000 0.920 545 S CB 0.072 63.194 63.200 -0.130 0.000 1.340 545 S HN 0.370 nan 8.310 nan 0.000 0.681 546 L N 0.070 121.265 121.223 -0.045 0.000 4.793 546 L HA -0.050 4.298 4.340 0.014 0.000 0.404 546 L C 0.480 177.391 176.870 0.069 0.000 1.022 546 L CA 0.865 55.699 54.840 -0.010 0.000 1.242 546 L CB -1.715 40.253 42.059 -0.152 0.000 2.049 546 L HN 0.726 nan 8.230 nan 0.000 0.637 547 G N -0.805 108.004 108.800 0.017 0.000 2.365 547 G HA2 0.479 4.448 3.960 0.014 0.000 0.249 547 G HA3 0.479 4.448 3.960 0.014 0.000 0.249 547 G C 1.213 176.166 174.900 0.089 0.000 1.288 547 G CA 0.161 45.253 45.100 -0.014 0.000 0.887 547 G HN 1.383 nan 8.290 nan 0.000 0.524 548 G N 1.551 110.404 108.800 0.089 0.000 2.157 548 G HA2 -0.310 3.658 3.960 0.014 0.000 0.248 548 G HA3 -0.310 3.658 3.960 0.014 0.000 0.248 548 G C 0.972 176.073 174.900 0.334 0.000 0.979 548 G CA 0.724 45.936 45.100 0.186 0.000 0.650 548 G HN 0.766 nan 8.290 nan 0.000 0.529 549 F N 1.784 121.859 119.950 0.208 0.000 2.091 549 F HA 0.069 4.605 4.527 0.015 0.000 0.299 549 F C 2.678 178.692 175.800 0.358 0.000 1.103 549 F CA 2.612 60.803 58.000 0.319 0.000 1.228 549 F CB -0.550 38.576 39.000 0.210 0.000 0.984 549 F HN 0.365 nan 8.300 nan 0.000 0.477 550 A N -0.467 122.504 122.820 0.252 0.000 2.019 550 A HA -0.233 4.096 4.320 0.014 0.000 0.219 550 A C 2.281 179.874 177.584 0.015 0.000 1.164 550 A CA 1.695 53.808 52.037 0.127 0.000 0.644 550 A CB -0.823 18.267 19.000 0.151 0.000 0.805 550 A HN 0.466 nan 8.150 nan 0.000 0.449 551 K N -1.642 118.758 120.400 0.000 0.000 2.148 551 K HA -0.160 4.168 4.320 0.014 0.000 0.204 551 K C 1.630 178.005 176.600 -0.374 0.000 1.050 551 K CA 1.488 57.692 56.287 -0.138 0.000 0.942 551 K CB -0.285 32.140 32.500 -0.125 0.000 0.724 551 K HN 0.589 nan 8.250 nan 0.000 0.446 552 Y N -0.938 119.097 120.300 -0.442 0.000 2.163 552 Y HA -0.213 4.345 4.550 0.013 0.000 0.288 552 Y C 1.911 176.838 175.900 -1.622 0.000 1.136 552 Y CA 1.379 58.857 58.100 -1.036 0.000 1.147 552 Y CB -0.247 37.592 38.460 -1.034 0.000 0.987 552 Y HN 0.152 nan 8.280 nan 0.000 0.509 553 W N 0.148 121.004 121.300 -0.741 0.000 2.363 553 W HA -0.197 4.472 4.660 0.016 0.000 0.296 553 W C 2.568 178.888 176.519 -0.331 0.000 1.212 553 W CA 1.505 58.528 57.345 -0.537 0.000 1.260 553 W CB -0.673 28.565 29.460 -0.370 0.000 1.131 553 W HN 0.073 nan 8.180 nan 0.000 0.530 554 Q N 0.121 119.805 119.800 -0.192 0.000 2.119 554 Q HA -0.148 4.201 4.340 0.014 0.000 0.201 554 Q C 2.228 178.153 176.000 -0.125 0.000 0.972 554 Q CA 1.739 57.480 55.803 -0.103 0.000 0.847 554 Q CB -0.300 28.397 28.738 -0.068 0.000 0.903 554 Q HN 0.287 nan 8.270 nan 0.000 0.433 555 A N 0.008 122.662 122.820 -0.277 0.000 1.897 555 A HA -0.107 4.222 4.320 0.014 0.000 0.215 555 A C 1.873 179.410 177.584 -0.077 0.000 1.181 555 A CA 0.842 52.748 52.037 -0.220 0.000 0.620 555 A CB -0.996 17.767 19.000 -0.396 0.000 0.821 555 A HN 0.453 nan 8.150 nan 0.000 0.443 556 F N -0.278 119.475 119.950 -0.329 0.000 2.161 556 F HA -0.228 4.307 4.527 0.014 0.000 0.300 556 F C 2.763 178.449 175.800 -0.190 0.000 1.089 556 F CA 1.125 58.901 58.000 -0.372 0.000 1.282 556 F CB -0.180 38.357 39.000 -0.771 0.000 1.010 556 F HN 0.164 nan 8.300 nan 0.000 0.485 557 R N -0.002 120.531 120.500 0.055 0.000 2.115 557 R HA -0.143 4.205 4.340 0.014 0.000 0.226 557 R C 2.115 178.444 176.300 0.048 0.000 1.100 557 R CA 1.010 57.135 56.100 0.042 0.000 0.980 557 R CB -0.372 29.951 30.300 0.038 0.000 0.875 557 R HN 0.370 nan 8.270 nan 0.000 0.445 558 Q N -0.390 119.468 119.800 0.098 0.000 2.187 558 Q HA -0.047 4.301 4.340 0.014 0.000 0.199 558 Q C -0.495 175.551 176.000 0.076 0.000 0.957 558 Q CA 0.875 56.736 55.803 0.097 0.000 0.857 558 Q CB 0.417 29.255 28.738 0.167 0.000 0.929 558 Q HN 0.167 nan 8.270 nan 0.000 0.453 559 Y N -0.065 120.212 120.300 -0.038 0.000 2.342 559 Y HA 0.270 4.827 4.550 0.012 0.000 0.338 559 Y C -1.789 174.081 175.900 -0.051 0.000 0.965 559 Y CA -2.879 55.199 58.100 -0.037 0.000 1.159 559 Y CB 1.444 39.888 38.460 -0.027 0.000 1.157 559 Y HN 0.089 nan 8.280 nan 0.000 0.486 560 P HA -0.192 nan 4.420 nan 0.000 0.214 560 P C 1.162 178.458 177.300 -0.007 0.000 1.163 560 P CA 1.984 65.081 63.100 -0.006 0.000 0.889 560 P CB 0.308 31.990 31.700 -0.030 0.000 0.790 561 R N -1.174 119.340 120.500 0.023 0.000 2.280 561 R HA 0.048 4.396 4.340 0.014 0.000 0.207 561 R C 0.524 176.802 176.300 -0.037 0.000 1.043 561 R CA 0.251 56.349 56.100 -0.002 0.000 1.006 561 R CB -0.572 29.740 30.300 0.019 0.000 0.885 561 R HN 0.256 nan 8.270 nan 0.000 0.467 562 L N 1.953 123.172 121.223 -0.007 0.000 2.282 562 L HA 0.123 4.472 4.340 0.014 0.000 0.287 562 L C 0.588 177.312 176.870 -0.244 0.000 1.075 562 L CA 0.122 54.904 54.840 -0.098 0.000 0.839 562 L CB 1.157 43.220 42.059 0.006 0.000 1.219 562 L HN 0.086 nan 8.230 nan 0.000 0.434 563 Q N 2.774 122.356 119.800 -0.363 0.000 2.201 563 Q HA 0.307 4.655 4.340 0.014 0.000 0.217 563 Q C 0.852 176.445 176.000 -0.680 0.000 0.860 563 Q CA 0.119 55.671 55.803 -0.419 0.000 0.984 563 Q CB 1.005 29.585 28.738 -0.264 0.000 1.095 563 Q HN 0.952 nan 8.270 nan 0.000 0.477 564 G N -0.273 107.756 108.800 -1.285 0.000 2.416 564 G HA2 0.102 4.070 3.960 0.014 0.000 0.203 564 G HA3 0.102 4.070 3.960 0.014 0.000 0.203 564 G C -0.331 173.722 174.900 -1.411 0.000 1.227 564 G CA -0.760 43.210 45.100 -1.883 0.000 1.041 564 G HN 0.549 nan 8.290 nan 0.000 0.546 565 G N -2.150 106.117 108.800 -0.889 0.000 2.441 565 G HA2 0.663 4.632 3.960 0.014 0.000 0.294 565 G HA3 0.663 4.632 3.960 0.014 0.000 0.294 565 G C -1.849 172.975 174.900 -0.126 0.000 1.393 565 G CA -0.364 44.440 45.100 -0.494 0.000 0.796 565 G HN 1.095 nan 8.290 nan 0.000 0.494 566 F N 0.742 120.937 119.950 0.408 0.000 2.403 566 F HA 0.504 5.038 4.527 0.013 0.000 0.355 566 F C 0.780 176.868 175.800 0.479 0.000 1.119 566 F CA -0.756 57.507 58.000 0.439 0.000 1.007 566 F CB 2.034 41.187 39.000 0.254 0.000 1.194 566 F HN 0.242 nan 8.300 nan 0.000 0.443 567 V N 3.229 123.440 119.914 0.495 0.000 2.901 567 V HA -0.159 3.969 4.120 0.014 0.000 0.307 567 V C -0.213 176.025 176.094 0.239 0.000 1.084 567 V CA -0.191 62.191 62.300 0.137 0.000 1.184 567 V CB 0.697 32.601 31.823 0.135 0.000 0.941 567 V HN 0.765 nan 8.190 nan 0.000 0.493 568 W N 6.335 127.711 121.300 0.128 0.000 2.296 568 W HA 0.448 5.116 4.660 0.013 0.000 0.316 568 W C -0.805 175.725 176.519 0.019 0.000 1.022 568 W CA -0.635 56.819 57.345 0.182 0.000 1.324 568 W CB 1.310 31.040 29.460 0.449 0.000 1.227 568 W HN 0.926 nan 8.180 nan 0.000 0.409 569 D N 2.841 122.966 120.400 -0.459 0.000 2.895 569 D HA 0.092 4.741 4.640 0.014 0.000 0.320 569 D C 0.620 176.692 176.300 -0.381 0.000 1.249 569 D CA -0.535 53.057 54.000 -0.681 0.000 0.997 569 D CB 0.191 40.029 40.800 -1.604 0.000 1.430 569 D HN 0.415 nan 8.370 nan 0.000 0.558 570 W N 0.519 121.509 121.300 -0.516 0.000 2.413 570 W HA 0.143 4.811 4.660 0.014 0.000 0.315 570 W C -0.125 176.170 176.519 -0.374 0.000 1.186 570 W CA 1.106 58.198 57.345 -0.421 0.000 1.326 570 W CB 0.307 29.539 29.460 -0.380 0.000 1.153 570 W HN 0.148 nan 8.180 nan 0.000 0.489 571 V N 2.761 122.411 119.914 -0.441 0.000 2.656 571 V HA 0.246 4.375 4.120 0.014 0.000 0.307 571 V C -0.872 175.001 176.094 -0.368 0.000 1.051 571 V CA -0.789 61.201 62.300 -0.516 0.000 0.893 571 V CB 1.490 33.127 31.823 -0.310 0.000 0.999 571 V HN -0.088 nan 8.190 nan 0.000 0.426 572 D N 4.204 124.384 120.400 -0.366 0.000 2.493 572 D HA 0.079 4.727 4.640 0.014 0.000 0.240 572 D C 0.269 176.374 176.300 -0.325 0.000 1.142 572 D CA 0.733 54.580 54.000 -0.256 0.000 0.872 572 D CB 0.864 41.600 40.800 -0.107 0.000 1.173 572 D HN 0.616 nan 8.370 nan 0.000 0.467 573 Q N 1.306 120.863 119.800 -0.404 0.000 3.207 573 Q HA 0.139 4.487 4.340 0.014 0.000 0.335 573 Q C -0.141 175.824 176.000 -0.059 0.000 1.374 573 Q CA -0.339 55.019 55.803 -0.742 0.000 1.023 573 Q CB 0.127 28.580 28.738 -0.475 0.000 1.576 573 Q HN 0.366 nan 8.270 nan 0.000 0.515 574 S N -0.112 115.624 115.700 0.061 0.000 2.617 574 S HA 0.666 5.145 4.470 0.014 0.000 0.283 574 S C -0.166 174.582 174.600 0.245 0.000 1.189 574 S CA -0.801 57.561 58.200 0.270 0.000 1.036 574 S CB 1.535 64.878 63.200 0.240 0.000 1.014 574 S HN 0.336 nan 8.310 nan 0.000 0.522 575 L N 1.673 122.974 121.223 0.130 0.000 2.341 575 L HA 0.524 4.872 4.340 0.014 0.000 0.267 575 L C -0.471 176.301 176.870 -0.164 0.000 1.009 575 L CA -1.269 53.528 54.840 -0.073 0.000 0.819 575 L CB 1.516 43.393 42.059 -0.304 0.000 1.323 575 L HN 0.556 nan 8.230 nan 0.000 0.425 576 I N 2.433 122.845 120.570 -0.263 0.000 2.471 576 I HA 0.215 4.393 4.170 0.014 0.000 0.286 576 I C 0.149 175.881 176.117 -0.642 0.000 1.079 576 I CA 0.266 61.277 61.300 -0.481 0.000 1.398 576 I CB 0.793 38.509 38.000 -0.474 0.000 1.403 576 I HN 0.562 nan 8.210 nan 0.000 0.530 577 K N 5.301 125.057 120.400 -1.073 0.000 2.400 577 K HA 0.580 4.909 4.320 0.014 0.000 0.246 577 K C -1.608 174.290 176.600 -1.171 0.000 0.995 577 K CA -0.675 54.967 56.287 -1.075 0.000 0.840 577 K CB 2.522 34.127 32.500 -1.491 0.000 1.293 577 K HN 0.204 nan 8.250 nan 0.000 0.445 578 Y N 0.433 120.508 120.300 -0.375 0.000 2.446 578 Y HA 0.188 4.747 4.550 0.014 0.000 0.345 578 Y C 0.087 176.098 175.900 0.184 0.000 0.984 578 Y CA -1.364 56.701 58.100 -0.058 0.000 1.058 578 Y CB 1.164 39.602 38.460 -0.037 0.000 1.220 578 Y HN 0.665 nan 8.280 nan 0.000 0.455 579 D N -0.235 120.427 120.400 0.437 0.000 2.478 579 D HA 0.069 4.718 4.640 0.014 0.000 0.269 579 D C 0.938 177.345 176.300 0.178 0.000 1.232 579 D CA -0.445 53.738 54.000 0.306 0.000 1.059 579 D CB 0.437 41.357 40.800 0.200 0.000 1.104 579 D HN 0.756 nan 8.370 nan 0.000 0.566 580 E N -0.438 119.826 120.200 0.106 0.000 2.209 580 E HA -0.276 4.082 4.350 0.014 0.000 0.196 580 E C 0.756 177.389 176.600 0.056 0.000 0.993 580 E CA 1.240 57.678 56.400 0.063 0.000 0.819 580 E CB -0.650 29.070 29.700 0.033 0.000 0.745 580 E HN 0.539 nan 8.360 nan 0.000 0.477 581 N N 0.412 119.153 118.700 0.068 0.000 2.383 581 N HA 0.034 4.782 4.740 0.014 0.000 0.192 581 N C 1.040 176.595 175.510 0.075 0.000 1.141 581 N CA 0.617 53.702 53.050 0.058 0.000 0.851 581 N CB 0.821 39.337 38.487 0.049 0.000 0.976 581 N HN 0.392 nan 8.380 nan 0.000 0.465 582 G N 0.947 109.810 108.800 0.106 0.000 2.148 582 G HA2 -0.257 3.712 3.960 0.014 0.000 0.254 582 G HA3 -0.257 3.712 3.960 0.014 0.000 0.254 582 G C -0.373 174.670 174.900 0.238 0.000 0.981 582 G CA -0.310 44.862 45.100 0.119 0.000 0.670 582 G HN 0.409 nan 8.290 nan 0.000 0.528 583 N N 1.815 120.657 118.700 0.236 0.000 2.472 583 N HA 0.412 5.161 4.740 0.014 0.000 0.277 583 N C -2.420 173.243 175.510 0.254 0.000 1.081 583 N CA -1.034 52.155 53.050 0.232 0.000 0.973 583 N CB 1.740 40.325 38.487 0.163 0.000 1.105 583 N HN 0.186 nan 8.380 nan 0.000 0.470 584 P HA 0.263 nan 4.420 nan 0.000 0.277 584 P C -0.494 176.734 177.300 -0.120 0.000 1.240 584 P CA -0.273 62.610 63.100 -0.361 0.000 0.798 584 P CB 0.712 32.160 31.700 -0.421 0.000 0.979 585 W N -0.991 120.068 121.300 -0.403 0.000 3.213 585 W HA 0.400 5.068 4.660 0.014 0.000 0.318 585 W C -1.543 174.798 176.519 -0.297 0.000 1.248 585 W CA -0.990 56.133 57.345 -0.370 0.000 1.187 585 W CB 0.307 29.333 29.460 -0.724 0.000 1.403 585 W HN 0.103 nan 8.180 nan 0.000 0.556 586 S N 1.624 117.368 115.700 0.074 0.000 2.474 586 S HA 0.580 5.058 4.470 0.014 0.000 0.276 586 S C 0.208 174.945 174.600 0.229 0.000 1.227 586 S CA -0.139 58.107 58.200 0.077 0.000 1.050 586 S CB 0.812 64.126 63.200 0.190 0.000 0.939 586 S HN 0.614 nan 8.310 nan 0.000 0.490 587 A N 2.943 125.757 122.820 -0.010 0.000 2.322 587 A HA 0.922 5.251 4.320 0.014 0.000 0.327 587 A C -0.781 177.064 177.584 0.435 0.000 1.134 587 A CA -0.753 51.347 52.037 0.105 0.000 0.831 587 A CB 0.808 19.578 19.000 -0.383 0.000 1.288 587 A HN 0.859 nan 8.150 nan 0.000 0.472 588 Y N -1.371 119.251 120.300 0.537 0.000 2.876 588 Y HA 0.753 5.312 4.550 0.014 0.000 0.317 588 Y C 0.553 176.836 175.900 0.638 0.000 1.369 588 Y CA -1.277 57.153 58.100 0.550 0.000 1.101 588 Y CB 0.052 38.651 38.460 0.231 0.000 1.346 588 Y HN 0.979 nan 8.280 nan 0.000 0.505 589 G N 0.033 109.239 108.800 0.678 0.000 2.224 589 G HA2 0.373 4.341 3.960 0.014 0.000 0.239 589 G HA3 0.373 4.341 3.960 0.014 0.000 0.239 589 G C 0.964 176.170 174.900 0.510 0.000 1.240 589 G CA 0.473 45.887 45.100 0.523 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.273 111.347 108.800 0.456 0.000 2.253 590 G HA2 -0.290 3.679 3.960 0.014 0.000 0.251 590 G HA3 -0.290 3.679 3.960 0.014 0.000 0.251 590 G C 0.938 176.030 174.900 0.319 0.000 0.998 590 G CA 0.664 45.969 45.100 0.341 0.000 0.621 590 G HN 0.648 nan 8.290 nan 0.000 0.524 591 D N -0.159 120.449 120.400 0.347 0.000 2.403 591 D HA 0.093 4.741 4.640 0.014 0.000 0.227 591 D C 1.165 177.341 176.300 -0.206 0.000 0.995 591 D CA 0.614 54.669 54.000 0.091 0.000 0.928 591 D CB -0.209 40.610 40.800 0.032 0.000 0.887 591 D HN 0.490 nan 8.370 nan 0.000 0.529 592 F N -0.984 119.098 119.950 0.220 0.000 2.735 592 F HA 0.307 4.843 4.527 0.014 0.000 0.304 592 F C 1.731 177.622 175.800 0.151 0.000 1.119 592 F CA -0.265 57.826 58.000 0.151 0.000 1.280 592 F CB 0.764 39.849 39.000 0.142 0.000 0.994 592 F HN -0.070 nan 8.300 nan 0.000 0.520 593 G N 0.497 109.451 108.800 0.256 0.000 2.184 593 G HA2 -0.290 3.678 3.960 0.014 0.000 0.264 593 G HA3 -0.290 3.678 3.960 0.014 0.000 0.264 593 G C -0.154 174.879 174.900 0.221 0.000 0.975 593 G CA 0.269 45.489 45.100 0.199 0.000 0.642 593 G HN 0.427 nan 8.290 nan 0.000 0.536 594 D N 0.319 120.898 120.400 0.298 0.000 2.390 594 D HA 0.517 5.166 4.640 0.014 0.000 0.249 594 D C 0.084 176.500 176.300 0.194 0.000 1.144 594 D CA 0.816 54.978 54.000 0.270 0.000 0.880 594 D CB 1.679 42.698 40.800 0.365 0.000 1.182 594 D HN 0.297 nan 8.370 nan 0.000 0.451 595 T N 1.157 115.794 114.554 0.138 0.000 3.047 595 T HA 0.400 4.759 4.350 0.014 0.000 0.340 595 T C -2.746 171.985 174.700 0.052 0.000 1.421 595 T CA -1.104 61.048 62.100 0.086 0.000 1.090 595 T CB 1.071 69.991 68.868 0.086 0.000 1.292 595 T HN 0.242 nan 8.240 nan 0.000 0.480 596 P HA 0.395 nan 4.420 nan 0.000 0.271 596 P C -0.800 176.480 177.300 -0.033 0.000 1.233 596 P CA -0.415 62.678 63.100 -0.011 0.000 0.789 596 P CB 0.376 32.046 31.700 -0.050 0.000 0.951 597 N N -0.697 117.977 118.700 -0.044 0.000 2.647 597 N HA 0.197 4.945 4.740 0.014 0.000 0.266 597 N C -1.230 174.197 175.510 -0.139 0.000 1.373 597 N CA -0.631 52.361 53.050 -0.096 0.000 0.807 597 N CB 1.700 40.225 38.487 0.064 0.000 1.513 597 N HN 0.181 nan 8.380 nan 0.000 0.505 598 D N 0.064 120.307 120.400 -0.261 0.000 2.670 598 D HA 0.112 4.761 4.640 0.014 0.000 0.255 598 D C 0.840 177.313 176.300 0.289 0.000 1.286 598 D CA -0.223 53.707 54.000 -0.117 0.000 0.830 598 D CB 0.733 41.307 40.800 -0.377 0.000 1.065 598 D HN 0.655 nan 8.370 nan 0.000 0.486 599 R N 0.871 121.557 120.500 0.310 0.000 3.707 599 R HA -0.330 4.018 4.340 0.014 0.000 0.504 599 R C 1.184 177.616 176.300 0.220 0.000 0.241 599 R CA 1.564 57.885 56.100 0.369 0.000 1.576 599 R CB -1.629 28.804 30.300 0.222 0.000 0.924 599 R HN 0.174 nan 8.270 nan 0.000 0.597 600 Q N 1.583 121.210 119.800 -0.288 0.000 2.482 600 Q HA 0.003 4.351 4.340 0.014 0.000 0.209 600 Q C 1.638 177.413 176.000 -0.375 0.000 0.961 600 Q CA 1.268 56.679 55.803 -0.653 0.000 0.945 600 Q CB 0.014 28.079 28.738 -1.122 0.000 1.012 600 Q HN 0.619 nan 8.270 nan 0.000 0.515 601 F N 1.586 121.489 119.950 -0.079 0.000 2.494 601 F HA -0.125 4.410 4.527 0.014 0.000 0.298 601 F C 2.203 177.967 175.800 -0.060 0.000 1.106 601 F CA 1.055 59.067 58.000 0.020 0.000 1.452 601 F CB -0.070 38.998 39.000 0.114 0.000 1.085 601 F HN 0.423 nan 8.300 nan 0.000 0.569 602 C N -1.153 117.895 119.300 -0.421 0.000 2.539 602 C HA 0.204 4.672 4.460 0.014 0.000 0.271 602 C C 0.973 175.757 174.990 -0.342 0.000 1.412 602 C CA -0.470 58.076 59.018 -0.786 0.000 1.729 602 C CB -1.658 24.988 27.740 -1.823 0.000 1.739 602 C HN 0.190 nan 8.230 nan 0.000 0.570 603 M N 2.561 122.020 119.600 -0.235 0.000 2.060 603 M HA 0.285 4.774 4.480 0.014 0.000 0.342 603 M C -0.564 175.641 176.300 -0.157 0.000 1.031 603 M CA 0.328 55.527 55.300 -0.170 0.000 0.981 603 M CB 0.217 32.742 32.600 -0.125 0.000 1.376 603 M HN 0.358 nan 8.290 nan 0.000 0.397 604 N N 0.845 119.450 118.700 -0.158 0.000 2.307 604 N HA 0.204 4.953 4.740 0.014 0.000 0.248 604 N C 0.300 175.639 175.510 -0.285 0.000 1.322 604 N CA -0.504 52.425 53.050 -0.202 0.000 0.861 604 N CB 1.239 39.684 38.487 -0.070 0.000 1.303 604 N HN 0.647 nan 8.380 nan 0.000 0.498 605 G N -0.079 108.513 108.800 -0.345 0.000 2.504 605 G HA2 0.348 4.317 3.960 0.014 0.000 0.288 605 G HA3 0.348 4.317 3.960 0.014 0.000 0.288 605 G C 0.717 175.222 174.900 -0.659 0.000 1.182 605 G CA -0.550 44.236 45.100 -0.523 0.000 0.894 605 G HN 0.112 nan 8.290 nan 0.000 0.521 606 L N -0.183 120.632 121.223 -0.679 0.000 2.313 606 L HA 0.107 4.455 4.340 0.014 0.000 0.214 606 L C 0.909 177.200 176.870 -0.965 0.000 1.119 606 L CA 0.432 54.886 54.840 -0.645 0.000 0.809 606 L CB -0.302 41.477 42.059 -0.467 0.000 0.933 606 L HN 0.391 nan 8.230 nan 0.000 0.449 607 V N -5.029 114.172 119.914 -1.189 0.000 2.914 607 V HA 0.464 4.592 4.120 0.014 0.000 0.314 607 V C -0.175 175.360 176.094 -0.931 0.000 1.084 607 V CA -1.300 60.396 62.300 -1.007 0.000 0.963 607 V CB 1.551 32.884 31.823 -0.817 0.000 1.025 607 V HN -0.137 nan 8.190 nan 0.000 0.432 608 F N 1.535 121.217 119.950 -0.448 0.000 2.480 608 F HA 0.528 5.064 4.527 0.015 0.000 0.319 608 F C 1.990 177.667 175.800 -0.205 0.000 1.230 608 F CA 0.619 58.509 58.000 -0.183 0.000 1.285 608 F CB 0.690 39.675 39.000 -0.024 0.000 1.208 608 F HN 0.768 nan 8.300 nan 0.000 0.579 609 A N 0.607 123.489 122.820 0.103 0.000 2.024 609 A HA -0.221 4.108 4.320 0.014 0.000 0.220 609 A C 1.619 179.185 177.584 -0.030 0.000 1.164 609 A CA 1.892 53.954 52.037 0.041 0.000 0.643 609 A CB -0.974 18.094 19.000 0.114 0.000 0.806 609 A HN 0.790 nan 8.150 nan 0.000 0.451 610 D N -2.907 117.492 120.400 -0.002 0.000 2.328 610 D HA 0.132 4.780 4.640 0.014 0.000 0.226 610 D C 0.661 176.948 176.300 -0.022 0.000 1.066 610 D CA 0.025 53.995 54.000 -0.050 0.000 0.861 610 D CB -0.096 40.674 40.800 -0.051 0.000 0.912 610 D HN 0.220 nan 8.370 nan 0.000 0.521 611 R N -1.886 118.599 120.500 -0.024 0.000 3.728 611 R HA -0.120 4.228 4.340 0.014 0.000 0.478 611 R C -0.264 176.033 176.300 -0.004 0.000 0.932 611 R CA 1.100 57.178 56.100 -0.037 0.000 1.317 611 R CB -3.200 27.122 30.300 0.036 0.000 1.987 611 R HN 0.235 nan 8.270 nan 0.000 0.509 612 T N 2.662 117.256 114.554 0.067 0.000 2.870 612 T HA 0.330 4.689 4.350 0.014 0.000 0.300 612 T C -2.287 172.512 174.700 0.165 0.000 0.989 612 T CA -0.696 61.480 62.100 0.126 0.000 1.139 612 T CB 0.994 69.953 68.868 0.151 0.000 0.920 612 T HN -0.090 nan 8.240 nan 0.000 0.537 613 P HA 0.209 nan 4.420 nan 0.000 0.274 613 P C -0.173 177.152 177.300 0.042 0.000 1.231 613 P CA -0.328 62.750 63.100 -0.037 0.000 0.790 613 P CB 0.455 32.150 31.700 -0.009 0.000 0.951 614 H N 2.410 121.288 119.070 -0.320 0.000 2.505 614 H HA 0.117 4.682 4.556 0.014 0.000 0.355 614 H C -1.200 174.016 175.328 -0.188 0.000 1.179 614 H CA -1.886 53.937 56.048 -0.375 0.000 1.343 614 H CB 0.468 29.968 29.762 -0.437 0.000 1.501 614 H HN 0.341 nan 8.280 nan 0.000 0.569 615 P HA -0.178 nan 4.420 nan 0.000 0.219 615 P C 1.105 178.400 177.300 -0.008 0.000 1.146 615 P CA 1.362 64.446 63.100 -0.027 0.000 0.808 615 P CB 0.015 31.696 31.700 -0.032 0.000 0.779 616 A N -0.580 122.236 122.820 -0.007 0.000 2.070 616 A HA -0.171 4.157 4.320 0.014 0.000 0.220 616 A C 2.074 179.606 177.584 -0.087 0.000 1.159 616 A CA 1.120 53.121 52.037 -0.059 0.000 0.656 616 A CB -1.555 17.391 19.000 -0.090 0.000 0.800 616 A HN 0.164 nan 8.150 nan 0.000 0.453 617 L N -0.090 121.098 121.223 -0.059 0.000 2.043 617 L HA -0.175 4.174 4.340 0.014 0.000 0.212 617 L C 2.410 179.316 176.870 0.060 0.000 1.075 617 L CA 2.837 57.672 54.840 -0.008 0.000 0.752 617 L CB -0.970 41.074 42.059 -0.024 0.000 0.891 617 L HN 0.365 nan 8.230 nan 0.000 0.432 618 T N -1.201 113.401 114.554 0.080 0.000 2.867 618 T HA -0.174 4.184 4.350 0.014 0.000 0.268 618 T C 1.696 176.506 174.700 0.183 0.000 1.057 618 T CA 1.313 63.521 62.100 0.179 0.000 1.136 618 T CB -0.151 68.807 68.868 0.150 0.000 0.874 618 T HN 0.392 nan 8.240 nan 0.000 0.466 619 E N 1.582 121.831 120.200 0.081 0.000 2.047 619 E HA -0.018 4.341 4.350 0.014 0.000 0.191 619 E C 2.256 178.880 176.600 0.040 0.000 0.987 619 E CA 1.278 57.732 56.400 0.090 0.000 0.799 619 E CB -0.489 29.234 29.700 0.038 0.000 0.752 619 E HN 0.424 nan 8.360 nan 0.000 0.449 620 A N 0.977 123.701 122.820 -0.161 0.000 1.902 620 A HA -0.217 4.112 4.320 0.014 0.000 0.217 620 A C 2.162 179.639 177.584 -0.179 0.000 1.181 620 A CA 1.894 53.789 52.037 -0.236 0.000 0.623 620 A CB -0.642 18.190 19.000 -0.281 0.000 0.818 620 A HN 0.269 nan 8.150 nan 0.000 0.443 621 K N -1.164 119.193 120.400 -0.072 0.000 2.044 621 K HA -0.305 4.024 4.320 0.014 0.000 0.210 621 K C 2.063 178.555 176.600 -0.181 0.000 1.049 621 K CA 2.133 58.391 56.287 -0.048 0.000 0.927 621 K CB -0.355 32.268 32.500 0.206 0.000 0.713 621 K HN 0.659 nan 8.250 nan 0.000 0.443 622 H N 0.281 119.164 119.070 -0.312 0.000 2.326 622 H HA -0.014 4.550 4.556 0.015 0.000 0.301 622 H C 1.954 177.012 175.328 -0.450 0.000 1.081 622 H CA 1.796 57.468 56.048 -0.627 0.000 1.334 622 H CB 0.075 29.483 29.762 -0.590 0.000 1.385 622 H HN 0.242 nan 8.280 nan 0.000 0.504 623 Q N 0.180 119.741 119.800 -0.399 0.000 2.291 623 Q HA -0.093 4.256 4.340 0.014 0.000 0.205 623 Q C 1.554 177.020 176.000 -0.889 0.000 0.970 623 Q CA 1.111 56.590 55.803 -0.541 0.000 0.876 623 Q CB 0.066 28.624 28.738 -0.299 0.000 0.935 623 Q HN 0.705 nan 8.270 nan 0.000 0.455 624 Q N 0.242 119.479 119.800 -0.938 0.000 2.320 624 Q HA 0.063 4.412 4.340 0.014 0.000 0.201 624 Q C -0.107 175.359 176.000 -0.890 0.000 0.910 624 Q CA -0.209 54.891 55.803 -1.172 0.000 0.946 624 Q CB 0.343 28.438 28.738 -1.071 0.000 1.062 624 Q HN 0.390 nan 8.270 nan 0.000 0.503 625 Q N -0.471 118.956 119.800 -0.622 0.000 2.414 625 Q HA -0.073 4.276 4.340 0.014 0.000 0.288 625 Q C -0.120 175.563 176.000 -0.528 0.000 1.086 625 Q CA 0.474 56.053 55.803 -0.374 0.000 0.943 625 Q CB 0.400 29.010 28.738 -0.213 0.000 1.282 625 Q HN 0.297 nan 8.270 nan 0.000 0.438 626 F N 0.015 119.756 119.950 -0.348 0.000 2.695 626 F HA 0.244 4.779 4.527 0.014 0.000 0.303 626 F C -0.130 175.130 175.800 -0.900 0.000 1.091 626 F CA -0.030 57.525 58.000 -0.742 0.000 1.300 626 F CB 0.556 38.794 39.000 -1.270 0.000 1.071 626 F HN 0.299 nan 8.300 nan 0.000 0.578 627 F N 0.483 120.363 119.950 -0.117 0.000 2.529 627 F HA 0.478 5.014 4.527 0.015 0.000 0.320 627 F C -0.095 175.340 175.800 -0.608 0.000 1.118 627 F CA -1.081 56.731 58.000 -0.314 0.000 0.915 627 F CB 1.347 40.173 39.000 -0.289 0.000 1.161 627 F HN -0.319 nan 8.300 nan 0.000 0.445 628 Q N 3.128 122.663 119.800 -0.442 0.000 2.306 628 Q HA 0.588 4.936 4.340 0.014 0.000 0.265 628 Q C -1.337 174.384 176.000 -0.466 0.000 1.022 628 Q CA -0.637 54.961 55.803 -0.342 0.000 0.853 628 Q CB 2.821 31.489 28.738 -0.117 0.000 1.327 628 Q HN 0.521 nan 8.270 nan 0.000 0.449 629 F N 0.298 120.386 119.950 0.230 0.000 2.588 629 F HA 0.651 5.187 4.527 0.015 0.000 0.314 629 F C 0.093 176.132 175.800 0.397 0.000 1.069 629 F CA -1.037 57.167 58.000 0.340 0.000 0.931 629 F CB 1.587 40.916 39.000 0.549 0.000 1.260 629 F HN 0.182 nan 8.300 nan 0.000 0.465 630 R N 1.291 122.080 120.500 0.483 0.000 2.771 630 R HA 0.780 5.128 4.340 0.014 0.000 0.274 630 R C -1.992 174.342 176.300 0.057 0.000 0.987 630 R CA -1.066 55.226 56.100 0.320 0.000 0.908 630 R CB 2.038 32.438 30.300 0.166 0.000 1.213 630 R HN 0.627 nan 8.270 nan 0.000 0.468 631 L N 0.029 121.151 121.223 -0.168 0.000 2.385 631 L HA 0.771 5.119 4.340 0.014 0.000 0.273 631 L C -1.142 175.572 176.870 -0.259 0.000 0.990 631 L CA 0.091 54.643 54.840 -0.481 0.000 0.821 631 L CB 2.287 43.678 42.059 -1.113 0.000 1.279 631 L HN 0.537 nan 8.230 nan 0.000 0.412 632 S N 3.799 119.373 115.700 -0.210 0.000 2.737 632 S HA 0.711 5.189 4.470 0.014 0.000 0.269 632 S C 0.072 174.592 174.600 -0.134 0.000 1.150 632 S CA 0.378 58.497 58.200 -0.134 0.000 1.077 632 S CB 0.132 63.286 63.200 -0.077 0.000 1.075 632 S HN 1.805 nan 8.310 nan 0.000 0.476 633 G N 4.793 113.513 108.800 -0.133 0.000 2.552 633 G HA2 -0.278 3.691 3.960 0.014 0.000 0.267 633 G HA3 -0.278 3.691 3.960 0.014 0.000 0.267 633 G C 0.272 175.079 174.900 -0.156 0.000 1.174 633 G CA 0.440 45.469 45.100 -0.120 0.000 0.955 633 G HN 1.011 nan 8.290 nan 0.000 0.546 634 Q N 0.115 119.825 119.800 -0.151 0.000 2.198 634 Q HA 0.377 4.726 4.340 0.014 0.000 0.209 634 Q C 0.003 175.878 176.000 -0.209 0.000 0.848 634 Q CA 0.628 56.317 55.803 -0.190 0.000 0.974 634 Q CB 0.612 29.249 28.738 -0.169 0.000 1.115 634 Q HN 0.454 nan 8.270 nan 0.000 0.494 635 T N 1.580 116.024 114.554 -0.183 0.000 2.794 635 T HA 0.574 4.932 4.350 0.014 0.000 0.280 635 T C -0.291 174.301 174.700 -0.180 0.000 0.987 635 T CA -0.450 61.555 62.100 -0.159 0.000 0.993 635 T CB 1.400 70.207 68.868 -0.101 0.000 0.939 635 T HN 0.125 nan 8.240 nan 0.000 0.449 636 I N 2.442 122.924 120.570 -0.146 0.000 2.377 636 I HA 0.338 4.517 4.170 0.014 0.000 0.293 636 I C 0.410 176.540 176.117 0.022 0.000 0.987 636 I CA -0.608 60.634 61.300 -0.097 0.000 1.185 636 I CB 1.489 39.457 38.000 -0.054 0.000 1.341 636 I HN 0.588 nan 8.210 nan 0.000 0.455 637 E N 6.619 126.862 120.200 0.071 0.000 2.133 637 E HA 0.442 4.801 4.350 0.014 0.000 0.274 637 E C -1.609 175.088 176.600 0.161 0.000 0.930 637 E CA -0.592 55.864 56.400 0.094 0.000 0.770 637 E CB 1.638 31.376 29.700 0.063 0.000 1.104 637 E HN 0.357 nan 8.360 nan 0.000 0.403 638 V N 4.181 124.175 119.914 0.133 0.000 2.398 638 V HA 0.320 4.448 4.120 0.014 0.000 0.286 638 V C 0.002 176.126 176.094 0.049 0.000 1.026 638 V CA -0.512 61.833 62.300 0.075 0.000 0.868 638 V CB 1.664 33.556 31.823 0.116 0.000 0.982 638 V HN 0.698 nan 8.190 nan 0.000 0.443 639 T N 3.317 117.862 114.554 -0.015 0.000 2.807 639 T HA 0.316 4.675 4.350 0.014 0.000 0.279 639 T C -0.048 174.657 174.700 0.008 0.000 0.993 639 T CA -0.222 61.882 62.100 0.006 0.000 0.970 639 T CB 1.560 70.413 68.868 -0.025 0.000 0.950 639 T HN 0.665 nan 8.240 nan 0.000 0.441 640 S N 1.901 117.619 115.700 0.030 0.000 2.513 640 S HA 0.183 4.661 4.470 0.014 0.000 0.276 640 S C 0.831 175.326 174.600 -0.175 0.000 1.254 640 S CA -0.497 57.662 58.200 -0.068 0.000 1.053 640 S CB 0.421 63.650 63.200 0.049 0.000 0.958 640 S HN 0.709 nan 8.310 nan 0.000 0.491 641 E N 3.253 123.252 120.200 -0.334 0.000 2.465 641 E HA 0.088 4.447 4.350 0.014 0.000 0.195 641 E C -0.788 175.632 176.600 -0.300 0.000 1.028 641 E CA -0.064 56.157 56.400 -0.298 0.000 0.899 641 E CB 0.327 29.831 29.700 -0.327 0.000 1.032 641 E HN 0.682 nan 8.360 nan 0.000 0.468 642 Y N 0.282 120.478 120.300 -0.174 0.000 2.304 642 Y HA 0.082 4.641 4.550 0.014 0.000 0.327 642 Y C 1.368 177.101 175.900 -0.278 0.000 1.209 642 Y CA -0.152 57.837 58.100 -0.184 0.000 1.299 642 Y CB 0.897 39.230 38.460 -0.211 0.000 1.249 642 Y HN -0.051 nan 8.280 nan 0.000 0.519 643 L N 1.156 122.212 121.223 -0.278 0.000 2.515 643 L HA 0.121 4.469 4.340 0.014 0.000 0.223 643 L C 0.549 176.960 176.870 -0.764 0.000 1.079 643 L CA 0.459 54.905 54.840 -0.656 0.000 0.857 643 L CB 0.109 41.447 42.059 -1.203 0.000 1.050 643 L HN 0.643 nan 8.230 nan 0.000 0.476 644 F N -0.301 119.656 119.950 0.010 0.000 2.581 644 F HA 0.218 4.753 4.527 0.013 0.000 0.278 644 F C 1.320 177.096 175.800 -0.040 0.000 1.000 644 F CA -0.800 57.181 58.000 -0.031 0.000 1.230 644 F CB 0.276 39.246 39.000 -0.050 0.000 1.008 644 F HN -0.161 nan 8.300 nan 0.000 0.695 645 R N 0.410 120.953 120.500 0.072 0.000 2.532 645 R HA 0.478 4.826 4.340 0.014 0.000 0.272 645 R C -1.184 175.077 176.300 -0.065 0.000 1.032 645 R CA -0.619 55.477 56.100 -0.007 0.000 1.089 645 R CB 0.494 30.692 30.300 -0.171 0.000 1.098 645 R HN 0.030 nan 8.270 nan 0.000 0.526 646 H N -0.102 118.956 119.070 -0.020 0.000 2.508 646 H HA 0.101 4.665 4.556 0.014 0.000 0.358 646 H C 0.076 175.419 175.328 0.026 0.000 1.212 646 H CA 0.159 56.225 56.048 0.030 0.000 1.356 646 H CB 1.333 31.118 29.762 0.038 0.000 1.525 646 H HN 0.760 nan 8.280 nan 0.000 0.578 647 S N 0.568 116.410 115.700 0.235 0.000 4.175 647 S HA -0.023 4.456 4.470 0.014 0.000 0.193 647 S C 0.144 174.845 174.600 0.168 0.000 1.373 647 S CA -0.347 58.006 58.200 0.256 0.000 0.908 647 S CB -0.879 62.554 63.200 0.389 0.000 1.547 647 S HN 0.699 nan 8.310 nan 0.000 0.440 648 D N 0.775 121.242 120.400 0.111 0.000 2.349 648 D HA 0.006 4.654 4.640 0.014 0.000 0.224 648 D C 0.474 176.804 176.300 0.050 0.000 1.029 648 D CA 0.074 54.116 54.000 0.071 0.000 0.879 648 D CB -0.154 40.670 40.800 0.041 0.000 0.906 648 D HN 0.489 nan 8.370 nan 0.000 0.528 649 N N -0.028 118.710 118.700 0.064 0.000 2.666 649 N HA 0.192 4.941 4.740 0.014 0.000 0.253 649 N C -1.715 173.845 175.510 0.082 0.000 1.621 649 N CA -0.246 52.834 53.050 0.050 0.000 0.785 649 N CB 0.242 38.740 38.487 0.019 0.000 1.332 649 N HN 0.003 nan 8.380 nan 0.000 0.514 650 E N 0.039 120.287 120.200 0.081 0.000 2.354 650 E HA 0.439 4.797 4.350 0.014 0.000 0.283 650 E C -1.554 175.079 176.600 0.055 0.000 0.938 650 E CA -0.692 55.752 56.400 0.073 0.000 0.777 650 E CB 1.724 31.462 29.700 0.064 0.000 1.222 650 E HN 0.279 nan 8.360 nan 0.000 0.423 651 L N 0.231 121.492 121.223 0.063 0.000 2.370 651 L HA 0.741 5.089 4.340 0.014 0.000 0.266 651 L C -1.323 175.626 176.870 0.132 0.000 1.002 651 L CA -1.073 53.830 54.840 0.104 0.000 0.818 651 L CB 0.824 42.974 42.059 0.152 0.000 1.325 651 L HN 0.476 nan 8.230 nan 0.000 0.418 652 L N 2.435 123.762 121.223 0.174 0.000 2.264 652 L HA 0.568 4.916 4.340 0.014 0.000 0.289 652 L C -0.788 176.279 176.870 0.327 0.000 1.044 652 L CA 0.255 55.233 54.840 0.229 0.000 0.807 652 L CB 0.169 42.367 42.059 0.232 0.000 1.192 652 L HN 0.595 nan 8.230 nan 0.000 0.425 653 H N 5.222 124.363 119.070 0.120 0.000 2.473 653 H HA 0.551 5.116 4.556 0.014 0.000 0.327 653 H C -0.943 174.459 175.328 0.124 0.000 1.105 653 H CA -0.395 55.677 56.048 0.040 0.000 1.280 653 H CB 0.804 30.560 29.762 -0.009 0.000 1.450 653 H HN 0.622 nan 8.280 nan 0.000 0.492 654 W N 4.729 126.103 121.300 0.123 0.000 2.936 654 W HA 0.615 5.283 4.660 0.014 0.000 0.338 654 W C -1.515 175.048 176.519 0.072 0.000 1.121 654 W CA -1.295 56.111 57.345 0.102 0.000 1.209 654 W CB 1.196 30.703 29.460 0.078 0.000 1.420 654 W HN 0.551 nan 8.180 nan 0.000 0.516 655 M N 2.296 122.082 119.600 0.309 0.000 2.413 655 M HA 0.677 5.165 4.480 0.014 0.000 0.287 655 M C -2.467 174.030 176.300 0.329 0.000 1.186 655 M CA -0.826 54.564 55.300 0.149 0.000 0.927 655 M CB 1.971 34.553 32.600 -0.031 0.000 1.715 655 M HN 0.149 nan 8.290 nan 0.000 0.478 656 V N 2.210 122.305 119.914 0.302 0.000 2.495 656 V HA 0.961 5.090 4.120 0.014 0.000 0.298 656 V C -0.313 175.891 176.094 0.183 0.000 1.031 656 V CA -0.341 62.127 62.300 0.280 0.000 0.871 656 V CB 1.590 33.589 31.823 0.295 0.000 0.988 656 V HN 1.062 nan 8.190 nan 0.000 0.432 657 A N 4.342 127.279 122.820 0.194 0.000 2.475 657 A HA 0.895 5.224 4.320 0.014 0.000 0.301 657 A C -1.464 176.234 177.584 0.191 0.000 1.059 657 A CA -0.617 51.502 52.037 0.138 0.000 0.710 657 A CB 1.739 20.785 19.000 0.076 0.000 1.288 657 A HN 0.889 nan 8.150 nan 0.000 0.408 658 L N 1.393 122.699 121.223 0.139 0.000 2.280 658 L HA 0.532 4.881 4.340 0.014 0.000 0.287 658 L C -0.601 176.364 176.870 0.158 0.000 1.023 658 L CA 0.166 55.098 54.840 0.154 0.000 0.819 658 L CB 0.502 42.619 42.059 0.097 0.000 1.212 658 L HN 0.754 nan 8.230 nan 0.000 0.420 659 D N 4.713 125.268 120.400 0.259 0.000 2.692 659 D HA -0.222 4.426 4.640 0.014 0.000 0.233 659 D C 1.169 177.520 176.300 0.084 0.000 1.172 659 D CA 1.439 55.587 54.000 0.247 0.000 0.636 659 D CB -1.128 39.782 40.800 0.183 0.000 1.028 659 D HN 1.192 nan 8.370 nan 0.000 0.419 660 G N -0.730 108.085 108.800 0.025 0.000 2.284 660 G HA2 -0.368 3.600 3.960 0.014 0.000 0.247 660 G HA3 -0.368 3.600 3.960 0.014 0.000 0.247 660 G C 0.233 175.061 174.900 -0.120 0.000 1.012 660 G CA 0.508 45.509 45.100 -0.166 0.000 0.618 660 G HN 0.543 nan 8.290 nan 0.000 0.521 661 K N 1.994 122.371 120.400 -0.040 0.000 2.258 661 K HA 0.496 4.825 4.320 0.014 0.000 0.284 661 K C -2.822 173.771 176.600 -0.011 0.000 1.051 661 K CA -1.830 54.436 56.287 -0.034 0.000 0.923 661 K CB 1.535 34.028 32.500 -0.011 0.000 1.046 661 K HN 0.082 nan 8.250 nan 0.000 0.474 662 P HA 0.037 nan 4.420 nan 0.000 0.271 662 P C 0.095 177.399 177.300 0.007 0.000 1.226 662 P CA -0.123 62.967 63.100 -0.017 0.000 0.765 662 P CB 0.742 32.411 31.700 -0.052 0.000 0.835 663 L N 1.866 123.113 121.223 0.039 0.000 2.433 663 L HA 0.425 4.773 4.340 0.014 0.000 0.200 663 L C 0.900 177.807 176.870 0.061 0.000 1.059 663 L CA 0.789 55.662 54.840 0.055 0.000 0.835 663 L CB -0.075 42.035 42.059 0.085 0.000 1.076 663 L HN 0.385 nan 8.230 nan 0.000 0.481 664 A N -0.655 122.218 122.820 0.089 0.000 2.612 664 A HA 0.627 4.955 4.320 0.014 0.000 0.293 664 A C -0.934 176.583 177.584 -0.111 0.000 1.075 664 A CA 0.034 52.119 52.037 0.080 0.000 0.680 664 A CB 1.801 20.968 19.000 0.277 0.000 1.279 664 A HN 0.164 nan 8.150 nan 0.000 0.411 665 S N -0.535 114.860 115.700 -0.507 0.000 2.565 665 S HA 0.941 5.420 4.470 0.014 0.000 0.269 665 S C -0.302 173.459 174.600 -1.398 0.000 1.153 665 S CA 0.023 57.541 58.200 -1.137 0.000 0.835 665 S CB 1.186 64.038 63.200 -0.581 0.000 1.122 665 S HN 2.609 nan 8.310 nan 0.000 0.462 666 G N 0.333 108.019 108.800 -1.856 0.000 2.488 666 G HA2 0.679 4.648 3.960 0.014 0.000 0.301 666 G HA3 0.679 4.648 3.960 0.014 0.000 0.301 666 G C -2.008 172.456 174.900 -0.726 0.000 1.339 666 G CA -0.405 44.137 45.100 -0.930 0.000 0.803 666 G HN 1.174 nan 8.290 nan 0.000 0.482 667 E N -2.026 118.057 120.200 -0.196 0.000 2.433 667 E HA 0.759 5.118 4.350 0.014 0.000 0.278 667 E C -1.816 174.868 176.600 0.139 0.000 0.976 667 E CA -1.046 55.331 56.400 -0.038 0.000 0.793 667 E CB 2.624 32.203 29.700 -0.201 0.000 1.311 667 E HN 0.616 nan 8.360 nan 0.000 0.460 668 V N 0.989 121.010 119.914 0.178 0.000 2.969 668 V HA 0.412 4.541 4.120 0.014 0.000 0.304 668 V C -2.591 173.583 176.094 0.133 0.000 1.192 668 V CA -1.716 60.679 62.300 0.157 0.000 0.962 668 V CB 2.243 34.180 31.823 0.190 0.000 1.045 668 V HN 0.692 nan 8.190 nan 0.000 0.428 669 P HA 0.361 nan 4.420 nan 0.000 0.275 669 P C -0.934 176.418 177.300 0.086 0.000 1.228 669 P CA -0.184 62.969 63.100 0.089 0.000 0.786 669 P CB 0.745 32.489 31.700 0.072 0.000 0.927 670 L N 2.724 123.991 121.223 0.073 0.000 2.295 670 L HA 0.369 4.717 4.340 0.014 0.000 0.285 670 L C 0.208 177.133 176.870 0.091 0.000 1.035 670 L CA -0.042 54.836 54.840 0.063 0.000 0.806 670 L CB 1.112 43.162 42.059 -0.014 0.000 1.214 670 L HN 0.326 nan 8.230 nan 0.000 0.426 671 D N 3.616 124.081 120.400 0.109 0.000 2.517 671 D HA 0.293 4.941 4.640 0.014 0.000 0.263 671 D C -1.304 175.093 176.300 0.163 0.000 1.233 671 D CA -0.148 53.933 54.000 0.135 0.000 0.849 671 D CB 1.052 41.914 40.800 0.104 0.000 1.261 671 D HN 0.057 nan 8.370 nan 0.000 0.516 672 V N 1.192 121.225 119.914 0.198 0.000 2.448 672 V HA 0.825 4.953 4.120 0.014 0.000 0.295 672 V C 0.910 177.071 176.094 0.112 0.000 1.025 672 V CA -1.294 61.114 62.300 0.180 0.000 0.859 672 V CB 1.177 33.143 31.823 0.239 0.000 0.988 672 V HN 0.522 nan 8.190 nan 0.000 0.431 673 A N 6.808 129.624 122.820 -0.006 0.000 2.425 673 A HA 0.621 4.949 4.320 0.014 0.000 0.242 673 A C -2.176 175.253 177.584 -0.257 0.000 1.077 673 A CA -1.247 50.558 52.037 -0.387 0.000 0.781 673 A CB -0.262 18.637 19.000 -0.168 0.000 1.020 673 A HN 0.696 nan 8.150 nan 0.000 0.494 674 P HA -0.002 nan 4.420 nan 0.000 0.262 674 P C -0.309 176.917 177.300 -0.124 0.000 1.182 674 P CA 0.595 63.595 63.100 -0.167 0.000 0.761 674 P CB 0.560 32.157 31.700 -0.173 0.000 0.795 675 Q N -1.058 118.686 119.800 -0.094 0.000 2.305 675 Q HA -0.176 4.172 4.340 0.014 0.000 0.203 675 Q C 0.793 176.764 176.000 -0.050 0.000 0.663 675 Q CA 1.772 57.525 55.803 -0.084 0.000 1.389 675 Q CB -2.315 26.367 28.738 -0.094 0.000 1.566 675 Q HN 0.767 nan 8.270 nan 0.000 0.755 676 G N 0.276 109.055 108.800 -0.034 0.000 2.537 676 G HA2 0.532 4.501 3.960 0.014 0.000 0.297 676 G HA3 0.532 4.501 3.960 0.014 0.000 0.297 676 G C -0.227 174.689 174.900 0.027 0.000 1.310 676 G CA -0.536 44.562 45.100 -0.003 0.000 1.027 676 G HN -0.015 nan 8.290 nan 0.000 0.505 677 K N -0.678 119.745 120.400 0.038 0.000 2.340 677 K HA 0.491 4.819 4.320 0.014 0.000 0.244 677 K C -0.914 175.725 176.600 0.065 0.000 0.973 677 K CA -0.629 55.688 56.287 0.050 0.000 0.828 677 K CB 2.477 34.998 32.500 0.035 0.000 1.226 677 K HN 0.536 nan 8.250 nan 0.000 0.437 678 Q N 2.318 122.163 119.800 0.074 0.000 2.315 678 Q HA 0.399 4.748 4.340 0.014 0.000 0.273 678 Q C -1.727 174.312 176.000 0.065 0.000 1.053 678 Q CA -0.633 55.215 55.803 0.074 0.000 0.817 678 Q CB 1.561 30.353 28.738 0.091 0.000 1.326 678 Q HN 0.528 nan 8.270 nan 0.000 0.423 679 L N 4.897 126.148 121.223 0.047 0.000 2.307 679 L HA 0.605 4.953 4.340 0.014 0.000 0.284 679 L C -0.552 176.332 176.870 0.023 0.000 1.023 679 L CA -0.757 54.100 54.840 0.029 0.000 0.810 679 L CB 1.511 43.578 42.059 0.013 0.000 1.231 679 L HN 0.615 nan 8.230 nan 0.000 0.423 680 I N 2.656 123.232 120.570 0.009 0.000 2.498 680 I HA 0.271 4.449 4.170 0.014 0.000 0.290 680 I C -0.510 175.566 176.117 -0.068 0.000 1.032 680 I CA -0.532 60.764 61.300 -0.008 0.000 1.073 680 I CB 2.579 40.591 38.000 0.021 0.000 1.251 680 I HN 0.586 nan 8.210 nan 0.000 0.426 681 E N 7.248 127.401 120.200 -0.078 0.000 2.145 681 E HA 0.501 4.859 4.350 0.014 0.000 0.270 681 E C -1.464 175.029 176.600 -0.178 0.000 0.906 681 E CA -0.537 55.791 56.400 -0.119 0.000 0.761 681 E CB 1.297 30.949 29.700 -0.080 0.000 1.116 681 E HN 0.489 nan 8.360 nan 0.000 0.408 682 L N 5.946 127.000 121.223 -0.282 0.000 2.395 682 L HA 0.420 4.768 4.340 0.014 0.000 0.269 682 L C -1.727 174.964 176.870 -0.298 0.000 1.133 682 L CA -2.083 52.485 54.840 -0.454 0.000 0.812 682 L CB 0.487 42.150 42.059 -0.660 0.000 1.125 682 L HN 0.589 nan 8.230 nan 0.000 0.452 683 P HA -0.036 nan 4.420 nan 0.000 0.272 683 P C -0.600 176.633 177.300 -0.111 0.000 1.254 683 P CA -0.409 62.623 63.100 -0.113 0.000 0.795 683 P CB 0.376 32.079 31.700 0.005 0.000 1.022 684 E N 0.737 120.907 120.200 -0.050 0.000 2.351 684 E HA 0.054 4.412 4.350 0.014 0.000 0.266 684 E C -0.673 175.913 176.600 -0.023 0.000 1.031 684 E CA -0.008 56.367 56.400 -0.041 0.000 0.911 684 E CB -0.013 29.676 29.700 -0.019 0.000 0.986 684 E HN 0.284 nan 8.360 nan 0.000 0.446 685 L N 6.685 127.887 121.223 -0.035 0.000 2.357 685 L HA 0.345 4.694 4.340 0.014 0.000 0.273 685 L C -2.011 174.868 176.870 0.015 0.000 1.080 685 L CA -1.992 52.849 54.840 0.003 0.000 0.803 685 L CB 1.158 43.209 42.059 -0.013 0.000 1.174 685 L HN 0.460 nan 8.230 nan 0.000 0.443 686 P HA 0.237 nan 4.420 nan 0.000 0.293 686 P C -1.442 175.875 177.300 0.028 0.000 1.313 686 P CA -0.652 62.466 63.100 0.030 0.000 0.787 686 P CB 0.883 32.606 31.700 0.038 0.000 0.910 687 Q N 4.453 124.263 119.800 0.016 0.000 2.314 687 Q HA 0.354 4.703 4.340 0.014 0.000 0.258 687 Q C -1.884 174.127 176.000 0.019 0.000 0.954 687 Q CA -1.271 54.540 55.803 0.014 0.000 0.890 687 Q CB 0.037 28.778 28.738 0.005 0.000 1.210 687 Q HN 0.393 nan 8.270 nan 0.000 0.410 688 P HA 0.228 nan 4.420 nan 0.000 0.296 688 P C -0.765 176.547 177.300 0.020 0.000 1.310 688 P CA -0.507 62.608 63.100 0.025 0.000 0.900 688 P CB 1.744 33.464 31.700 0.033 0.000 1.111 689 E N 0.215 120.426 120.200 0.019 0.000 2.046 689 E HA -0.049 4.310 4.350 0.014 0.000 0.190 689 E C 0.876 177.487 176.600 0.019 0.000 0.982 689 E CA 0.747 57.157 56.400 0.016 0.000 0.800 689 E CB -0.736 28.973 29.700 0.015 0.000 0.756 689 E HN 0.557 nan 8.360 nan 0.000 0.449 690 S N 1.037 116.751 115.700 0.023 0.000 2.563 690 S HA 0.160 4.639 4.470 0.014 0.000 0.294 690 S C 0.530 175.150 174.600 0.033 0.000 1.279 690 S CA -0.297 57.919 58.200 0.028 0.000 1.069 690 S CB 0.315 63.532 63.200 0.029 0.000 0.828 690 S HN 0.315 nan 8.310 nan 0.000 0.497 691 A N 3.929 126.769 122.820 0.034 0.000 2.615 691 A HA 0.536 4.864 4.320 0.014 0.000 0.230 691 A C 1.140 178.754 177.584 0.050 0.000 1.062 691 A CA 0.466 52.526 52.037 0.039 0.000 0.758 691 A CB -1.014 18.011 19.000 0.042 0.000 0.995 691 A HN 2.420 nan 8.150 nan 0.000 0.511 692 G N -0.279 108.551 108.800 0.050 0.000 2.351 692 G HA2 0.487 4.456 3.960 0.014 0.000 0.353 692 G HA3 0.487 4.456 3.960 0.014 0.000 0.353 692 G C -1.129 173.802 174.900 0.053 0.000 1.358 692 G CA -0.086 45.057 45.100 0.071 0.000 0.995 692 G HN 1.353 nan 8.290 nan 0.000 0.611 693 Q N -0.249 119.598 119.800 0.079 0.000 2.322 693 Q HA 0.740 5.088 4.340 0.014 0.000 0.265 693 Q C -0.568 175.461 176.000 0.048 0.000 0.985 693 Q CA -0.647 55.155 55.803 -0.001 0.000 0.849 693 Q CB 1.402 30.102 28.738 -0.063 0.000 1.274 693 Q HN 0.601 nan 8.270 nan 0.000 0.449 694 L N 4.269 125.468 121.223 -0.040 0.000 2.326 694 L HA 0.492 4.840 4.340 0.014 0.000 0.278 694 L C -0.844 175.998 176.870 -0.047 0.000 1.092 694 L CA -0.436 54.430 54.840 0.044 0.000 0.810 694 L CB 0.740 42.813 42.059 0.025 0.000 1.153 694 L HN 0.697 nan 8.230 nan 0.000 0.439 695 W N 4.511 125.861 121.300 0.083 0.000 2.702 695 W HA 0.542 5.210 4.660 0.014 0.000 0.331 695 W C -0.727 175.892 176.519 0.167 0.000 1.049 695 W CA -0.491 56.928 57.345 0.122 0.000 1.230 695 W CB 1.761 31.314 29.460 0.154 0.000 1.408 695 W HN 0.146 nan 8.180 nan 0.000 0.492 696 L N 3.135 124.629 121.223 0.452 0.000 2.329 696 L HA 0.835 5.183 4.340 0.014 0.000 0.279 696 L C -0.432 176.738 176.870 0.500 0.000 1.014 696 L CA 0.087 55.178 54.840 0.418 0.000 0.814 696 L CB 1.818 44.073 42.059 0.327 0.000 1.257 696 L HN 0.298 nan 8.230 nan 0.000 0.424 697 T N 4.665 119.465 114.554 0.409 0.000 2.848 697 T HA 0.661 5.020 4.350 0.014 0.000 0.285 697 T C -0.838 174.059 174.700 0.328 0.000 0.995 697 T CA -0.424 61.879 62.100 0.338 0.000 0.970 697 T CB 1.560 70.561 68.868 0.222 0.000 0.976 697 T HN 0.635 nan 8.240 nan 0.000 0.441 698 V N 1.407 121.489 119.914 0.280 0.000 2.715 698 V HA 0.822 4.951 4.120 0.014 0.000 0.310 698 V C -0.716 175.468 176.094 0.150 0.000 1.054 698 V CA -1.109 61.321 62.300 0.217 0.000 0.928 698 V CB 1.915 33.810 31.823 0.121 0.000 1.007 698 V HN 0.771 nan 8.190 nan 0.000 0.437 699 R N 2.404 123.012 120.500 0.181 0.000 2.628 699 R HA 0.680 5.029 4.340 0.014 0.000 0.288 699 R C -1.663 174.738 176.300 0.168 0.000 0.980 699 R CA -0.729 55.484 56.100 0.188 0.000 0.891 699 R CB 2.511 32.867 30.300 0.093 0.000 1.188 699 R HN 0.647 nan 8.270 nan 0.000 0.450 700 V N 3.653 123.695 119.914 0.214 0.000 2.383 700 V HA 0.321 4.449 4.120 0.014 0.000 0.275 700 V C -0.048 176.106 176.094 0.099 0.000 1.036 700 V CA -0.535 61.855 62.300 0.151 0.000 0.889 700 V CB 1.682 33.588 31.823 0.138 0.000 0.985 700 V HN 0.422 nan 8.190 nan 0.000 0.459 701 V N 5.197 125.118 119.914 0.012 0.000 2.680 701 V HA 0.402 4.531 4.120 0.014 0.000 0.309 701 V C -0.276 175.841 176.094 0.038 0.000 1.052 701 V CA -0.830 61.449 62.300 -0.035 0.000 0.908 701 V CB 2.074 33.737 31.823 -0.266 0.000 1.001 701 V HN 0.876 nan 8.190 nan 0.000 0.431 702 Q N 5.527 125.377 119.800 0.083 0.000 2.406 702 Q HA 0.234 4.583 4.340 0.014 0.000 0.242 702 Q C -1.615 174.405 176.000 0.032 0.000 1.036 702 Q CA -1.761 54.091 55.803 0.082 0.000 0.904 702 Q CB 1.488 30.287 28.738 0.103 0.000 1.244 702 Q HN 0.501 nan 8.270 nan 0.000 0.478 703 P HA -0.204 nan 4.420 nan 0.000 0.216 703 P C -0.449 176.851 177.300 0.000 0.000 1.150 703 P CA 1.284 64.397 63.100 0.022 0.000 0.837 703 P CB 0.356 32.077 31.700 0.036 0.000 0.786 704 N N -0.938 117.751 118.700 -0.018 0.000 2.430 704 N HA 0.462 5.210 4.740 0.014 0.000 0.298 704 N C -0.364 175.088 175.510 -0.097 0.000 1.130 704 N CA -0.694 52.329 53.050 -0.045 0.000 0.894 704 N CB 1.076 39.537 38.487 -0.043 0.000 1.209 704 N HN -0.028 nan 8.380 nan 0.000 0.503 705 A N 0.505 123.261 122.820 -0.106 0.000 2.448 705 A HA 0.444 4.773 4.320 0.014 0.000 0.239 705 A C 0.508 177.952 177.584 -0.233 0.000 1.080 705 A CA 0.112 52.050 52.037 -0.165 0.000 0.779 705 A CB -0.095 18.838 19.000 -0.113 0.000 1.026 705 A HN 0.701 nan 8.150 nan 0.000 0.499 706 T N -3.322 111.013 114.554 -0.364 0.000 2.831 706 T HA 0.623 4.982 4.350 0.014 0.000 0.287 706 T C 0.958 175.476 174.700 -0.303 0.000 1.070 706 T CA 0.038 61.880 62.100 -0.430 0.000 1.010 706 T CB 1.122 69.431 68.868 -0.931 0.000 1.264 706 T HN 1.469 nan 8.240 nan 0.000 0.532 707 A N 0.108 122.827 122.820 -0.168 0.000 2.024 707 A HA 0.055 4.383 4.320 0.014 0.000 0.220 707 A C 1.635 179.359 177.584 0.234 0.000 1.164 707 A CA 1.394 53.458 52.037 0.045 0.000 0.643 707 A CB -0.913 18.144 19.000 0.095 0.000 0.806 707 A HN 0.935 nan 8.150 nan 0.000 0.451 708 W N -0.891 120.477 121.300 0.114 0.000 2.702 708 W HA 0.451 5.120 4.660 0.015 0.000 0.369 708 W C -0.204 176.295 176.519 -0.032 0.000 0.987 708 W CA 0.402 57.791 57.345 0.074 0.000 1.702 708 W CB -1.060 28.426 29.460 0.044 0.000 1.138 708 W HN 0.424 nan 8.180 nan 0.000 0.552 709 S N -0.236 115.165 115.700 -0.499 0.000 2.596 709 S HA 0.446 4.924 4.470 0.014 0.000 0.270 709 S C -0.963 173.453 174.600 -0.305 0.000 1.155 709 S CA -0.772 57.155 58.200 -0.455 0.000 0.827 709 S CB 2.759 65.364 63.200 -0.992 0.000 1.130 709 S HN 0.114 nan 8.310 nan 0.000 0.467 710 E N 0.416 120.532 120.200 -0.141 0.000 2.280 710 E HA 0.598 4.957 4.350 0.014 0.000 0.264 710 E C 0.229 176.797 176.600 -0.053 0.000 1.064 710 E CA -0.883 55.475 56.400 -0.070 0.000 0.900 710 E CB 1.308 31.011 29.700 0.004 0.000 1.123 710 E HN 0.872 nan 8.360 nan 0.000 0.418 711 A N 0.392 123.189 122.820 -0.038 0.000 2.498 711 A HA 0.380 4.709 4.320 0.014 0.000 0.239 711 A C 1.105 178.697 177.584 0.013 0.000 1.068 711 A CA 0.814 52.839 52.037 -0.020 0.000 0.766 711 A CB -0.429 18.561 19.000 -0.015 0.000 1.003 711 A HN 0.804 nan 8.150 nan 0.000 0.497 712 G N 0.403 109.215 108.800 0.020 0.000 2.176 712 G HA2 -0.251 3.717 3.960 0.014 0.000 0.253 712 G HA3 -0.251 3.717 3.960 0.014 0.000 0.253 712 G C 0.233 175.156 174.900 0.038 0.000 0.979 712 G CA 0.718 45.825 45.100 0.011 0.000 0.641 712 G HN 1.763 nan 8.290 nan 0.000 0.530 713 H N 0.502 119.566 119.070 -0.010 0.000 3.034 713 H HA 0.456 5.020 4.556 0.014 0.000 0.324 713 H C 0.689 176.068 175.328 0.085 0.000 1.015 713 H CA 0.294 56.368 56.048 0.043 0.000 1.429 713 H CB 0.196 29.984 29.762 0.043 0.000 1.429 713 H HN 0.288 nan 8.280 nan 0.000 0.585 714 I N 4.635 124.959 120.570 -0.410 0.000 2.325 714 I HA 0.034 4.213 4.170 0.014 0.000 0.291 714 I C 0.892 176.855 176.117 -0.256 0.000 1.019 714 I CA 0.108 61.278 61.300 -0.217 0.000 1.302 714 I CB 1.502 39.425 38.000 -0.128 0.000 1.401 714 I HN 0.799 nan 8.210 nan 0.000 0.485 715 S N 4.148 119.928 115.700 0.134 0.000 2.502 715 S HA 0.586 5.065 4.470 0.014 0.000 0.215 715 S C 0.449 175.322 174.600 0.456 0.000 1.009 715 S CA -0.024 58.396 58.200 0.367 0.000 0.908 715 S CB 0.560 64.100 63.200 0.566 0.000 0.801 715 S HN 0.695 nan 8.310 nan 0.000 0.505 716 A N 0.496 123.618 122.820 0.503 0.000 2.608 716 A HA 0.687 5.015 4.320 0.014 0.000 0.292 716 A C -1.868 176.096 177.584 0.633 0.000 1.066 716 A CA -0.944 51.383 52.037 0.483 0.000 0.676 716 A CB 0.401 19.752 19.000 0.585 0.000 1.277 716 A HN 0.913 nan 8.150 nan 0.000 0.413 717 W N -0.498 120.968 121.300 0.277 0.000 3.059 717 W HA 0.790 5.460 4.660 0.015 0.000 0.329 717 W C -1.177 175.368 176.519 0.042 0.000 1.246 717 W CA -0.599 56.791 57.345 0.075 0.000 1.190 717 W CB 1.157 30.637 29.460 0.034 0.000 1.423 717 W HN 1.019 nan 8.180 nan 0.000 0.571 718 Q N 0.907 120.749 119.800 0.071 0.000 2.578 718 Q HA 0.461 4.809 4.340 0.014 0.000 0.284 718 Q C -1.635 174.214 176.000 -0.252 0.000 0.960 718 Q CA -0.489 55.193 55.803 -0.203 0.000 0.809 718 Q CB 2.392 30.794 28.738 -0.560 0.000 1.462 718 Q HN 0.615 nan 8.270 nan 0.000 0.392 719 Q N 1.062 120.632 119.800 -0.383 0.000 2.456 719 Q HA 0.645 4.994 4.340 0.014 0.000 0.283 719 Q C -1.153 174.711 176.000 -0.226 0.000 1.084 719 Q CA -0.737 55.046 55.803 -0.032 0.000 0.801 719 Q CB 2.601 31.541 28.738 0.336 0.000 1.434 719 Q HN 0.587 nan 8.270 nan 0.000 0.419 720 W N 0.764 122.203 121.300 0.232 0.000 3.127 720 W HA 0.442 5.110 4.660 0.014 0.000 0.330 720 W C -0.356 176.071 176.519 -0.154 0.000 1.187 720 W CA -0.685 56.694 57.345 0.056 0.000 1.198 720 W CB 1.816 31.286 29.460 0.017 0.000 1.408 720 W HN 0.391 nan 8.180 nan 0.000 0.529 721 R N 1.973 122.323 120.500 -0.250 0.000 2.389 721 R HA 0.418 4.767 4.340 0.014 0.000 0.295 721 R C 0.403 176.539 176.300 -0.274 0.000 1.075 721 R CA -0.090 55.600 56.100 -0.684 0.000 1.005 721 R CB 1.014 30.897 30.300 -0.695 0.000 0.987 721 R HN 0.333 nan 8.270 nan 0.000 0.452 722 L N 1.430 122.505 121.223 -0.246 0.000 2.793 722 L HA 0.503 4.851 4.340 0.014 0.000 0.188 722 L C 0.716 177.501 176.870 -0.142 0.000 1.949 722 L CA -0.926 53.837 54.840 -0.128 0.000 2.556 722 L CB -0.170 41.853 42.059 -0.061 0.000 2.898 722 L HN 0.580 nan 8.230 nan 0.000 0.621 723 A N 0.201 122.965 122.820 -0.093 0.000 2.406 723 A HA 0.223 4.552 4.320 0.014 0.000 0.243 723 A C -0.305 177.227 177.584 -0.086 0.000 1.082 723 A CA 0.184 52.173 52.037 -0.079 0.000 0.786 723 A CB 0.203 19.174 19.000 -0.048 0.000 1.029 723 A HN 0.627 nan 8.150 nan 0.000 0.495 724 E N 0.618 120.775 120.200 -0.071 0.000 2.248 724 E HA 0.328 4.686 4.350 0.014 0.000 0.267 724 E C -1.454 175.132 176.600 -0.024 0.000 0.877 724 E CA -0.730 55.637 56.400 -0.054 0.000 0.759 724 E CB 0.972 30.631 29.700 -0.068 0.000 1.182 724 E HN 0.637 nan 8.360 nan 0.000 0.418 725 N N 4.853 123.550 118.700 -0.006 0.000 2.621 725 N HA 0.265 5.013 4.740 0.014 0.000 0.237 725 N C -0.696 174.823 175.510 0.014 0.000 0.997 725 N CA -0.298 52.755 53.050 0.005 0.000 0.918 725 N CB 0.958 39.453 38.487 0.013 0.000 1.122 725 N HN 0.497 nan 8.380 nan 0.000 0.510 726 L N 0.909 122.139 121.223 0.012 0.000 2.453 726 L HA 0.098 4.446 4.340 0.014 0.000 0.272 726 L C 1.278 178.163 176.870 0.025 0.000 1.182 726 L CA 0.082 54.934 54.840 0.020 0.000 0.858 726 L CB 0.547 42.617 42.059 0.017 0.000 1.120 726 L HN 0.346 nan 8.230 nan 0.000 0.474 727 S N 2.154 117.874 115.700 0.033 0.000 2.528 727 S HA 0.228 4.706 4.470 0.014 0.000 0.277 727 S C 0.562 175.180 174.600 0.030 0.000 1.297 727 S CA -0.629 57.591 58.200 0.033 0.000 1.052 727 S CB 1.124 64.348 63.200 0.041 0.000 0.917 727 S HN 0.490 nan 8.310 nan 0.000 0.492 728 V N 2.357 122.286 119.914 0.026 0.000 3.432 728 V HA 0.353 4.481 4.120 0.014 0.000 0.298 728 V C 0.641 176.749 176.094 0.023 0.000 1.464 728 V CA 0.391 62.705 62.300 0.023 0.000 1.046 728 V CB -0.472 31.363 31.823 0.019 0.000 0.887 728 V HN 0.898 nan 8.190 nan 0.000 0.441 729 T N 2.007 116.576 114.554 0.025 0.000 2.814 729 T HA 0.620 4.978 4.350 0.014 0.000 0.297 729 T C -0.065 174.650 174.700 0.025 0.000 0.956 729 T CA -0.390 61.724 62.100 0.024 0.000 1.123 729 T CB 0.728 69.610 68.868 0.024 0.000 0.902 729 T HN 0.507 nan 8.240 nan 0.000 0.528 730 L N 3.472 124.708 121.223 0.023 0.000 2.417 730 L HA 0.581 4.930 4.340 0.014 0.000 0.268 730 L C -1.894 174.989 176.870 0.021 0.000 1.158 730 L CA -1.831 53.022 54.840 0.022 0.000 0.819 730 L CB -0.906 41.164 42.059 0.019 0.000 1.112 730 L HN 0.449 nan 8.230 nan 0.000 0.458 731 P HA 0.384 nan 4.420 nan 0.000 0.280 731 P C -0.863 176.442 177.300 0.009 0.000 1.272 731 P CA -0.799 62.311 63.100 0.017 0.000 0.819 731 P CB 0.714 32.425 31.700 0.019 0.000 1.122 732 A N 0.783 123.607 122.820 0.005 0.000 2.573 732 A HA 0.358 4.687 4.320 0.014 0.000 0.250 732 A C 0.760 178.326 177.584 -0.030 0.000 1.049 732 A CA 0.205 52.240 52.037 -0.002 0.000 0.767 732 A CB -1.047 17.950 19.000 -0.006 0.000 0.965 732 A HN 0.655 nan 8.150 nan 0.000 0.514 733 A N 3.663 126.475 122.820 -0.013 0.000 2.498 733 A HA 0.476 4.804 4.320 0.014 0.000 0.239 733 A C 1.018 178.526 177.584 -0.126 0.000 1.068 733 A CA 0.416 52.439 52.037 -0.023 0.000 0.766 733 A CB -0.227 18.791 19.000 0.030 0.000 1.003 733 A HN 1.962 nan 8.150 nan 0.000 0.497 734 S N 1.276 116.902 115.700 -0.124 0.000 2.586 734 S HA 0.381 4.859 4.470 0.014 0.000 0.274 734 S C 0.462 174.983 174.600 -0.132 0.000 1.281 734 S CA -0.113 57.951 58.200 -0.226 0.000 1.035 734 S CB 0.428 63.563 63.200 -0.108 0.000 0.962 734 S HN 0.732 nan 8.310 nan 0.000 0.512 735 H N 1.623 120.705 119.070 0.019 0.000 2.370 735 H HA 0.369 4.934 4.556 0.014 0.000 0.304 735 H C 1.283 176.622 175.328 0.018 0.000 1.055 735 H CA 0.461 56.519 56.048 0.016 0.000 1.373 735 H CB -0.075 29.696 29.762 0.015 0.000 1.423 735 H HN 0.801 nan 8.280 nan 0.000 0.533 736 A N 1.497 124.375 122.820 0.096 0.000 2.272 736 A HA 0.463 4.791 4.320 0.014 0.000 0.275 736 A C -0.304 177.303 177.584 0.040 0.000 1.096 736 A CA -0.220 51.857 52.037 0.066 0.000 0.822 736 A CB 0.552 19.591 19.000 0.065 0.000 1.088 736 A HN 0.227 nan 8.150 nan 0.000 0.495 737 I N 0.665 121.263 120.570 0.046 0.000 2.619 737 I HA 0.403 4.582 4.170 0.014 0.000 0.292 737 I C -2.506 173.646 176.117 0.058 0.000 1.100 737 I CA -1.983 59.340 61.300 0.038 0.000 1.043 737 I CB 2.184 40.208 38.000 0.041 0.000 1.239 737 I HN 0.419 nan 8.210 nan 0.000 0.420 738 P HA 0.292 nan 4.420 nan 0.000 0.277 738 P C -1.249 176.106 177.300 0.091 0.000 1.240 738 P CA -0.003 63.133 63.100 0.059 0.000 0.798 738 P CB 0.553 32.237 31.700 -0.027 0.000 0.979 739 H N 0.898 119.988 119.070 0.033 0.000 2.466 739 H HA 0.527 5.091 4.556 0.014 0.000 0.338 739 H C -1.079 174.271 175.328 0.036 0.000 1.091 739 H CA -0.825 55.239 56.048 0.026 0.000 1.207 739 H CB 0.669 30.449 29.762 0.031 0.000 1.466 739 H HN 0.169 nan 8.280 nan 0.000 0.493 740 L N 4.498 125.295 121.223 -0.709 0.000 2.289 740 L HA 0.462 4.811 4.340 0.014 0.000 0.285 740 L C -0.780 175.853 176.870 -0.395 0.000 1.049 740 L CA 0.134 54.729 54.840 -0.407 0.000 0.804 740 L CB 1.346 43.206 42.059 -0.330 0.000 1.195 740 L HN 0.707 nan 8.230 nan 0.000 0.428 741 T N 3.842 118.357 114.554 -0.064 0.000 2.792 741 T HA 0.586 4.944 4.350 0.014 0.000 0.280 741 T C -0.325 174.456 174.700 0.135 0.000 0.990 741 T CA -0.339 61.798 62.100 0.062 0.000 0.960 741 T CB 1.197 70.134 68.868 0.115 0.000 0.939 741 T HN 0.740 nan 8.240 nan 0.000 0.439 742 T N 2.442 117.078 114.554 0.137 0.000 2.932 742 T HA 0.828 5.187 4.350 0.014 0.000 0.289 742 T C -0.375 174.384 174.700 0.098 0.000 1.039 742 T CA -0.756 61.460 62.100 0.192 0.000 1.024 742 T CB 1.565 70.562 68.868 0.216 0.000 1.090 742 T HN 0.744 nan 8.240 nan 0.000 0.496 743 S N 0.041 115.769 115.700 0.046 0.000 2.611 743 S HA 0.376 4.854 4.470 0.014 0.000 0.268 743 S C 0.617 175.177 174.600 -0.066 0.000 1.156 743 S CA -0.789 57.410 58.200 -0.000 0.000 0.817 743 S CB 1.537 64.741 63.200 0.006 0.000 1.122 743 S HN 0.735 nan 8.310 nan 0.000 0.466 744 E N -0.241 119.925 120.200 -0.055 0.000 2.085 744 E HA -0.188 4.171 4.350 0.014 0.000 0.194 744 E C 1.521 178.043 176.600 -0.130 0.000 0.994 744 E CA 1.620 57.971 56.400 -0.083 0.000 0.801 744 E CB -0.136 29.535 29.700 -0.048 0.000 0.743 744 E HN 0.615 nan 8.360 nan 0.000 0.453 745 M N 0.242 119.783 119.600 -0.098 0.000 2.435 745 M HA 0.079 4.567 4.480 0.014 0.000 0.265 745 M C -0.473 175.756 176.300 -0.119 0.000 1.104 745 M CA 0.809 56.054 55.300 -0.092 0.000 1.140 745 M CB 0.831 33.410 32.600 -0.034 0.000 1.372 745 M HN -0.152 nan 8.290 nan 0.000 0.456 746 D N -1.558 118.770 120.400 -0.121 0.000 2.661 746 D HA 0.287 4.936 4.640 0.014 0.000 0.228 746 D C -1.453 174.812 176.300 -0.060 0.000 1.183 746 D CA -0.328 53.629 54.000 -0.071 0.000 0.844 746 D CB 1.588 42.420 40.800 0.053 0.000 1.555 746 D HN -0.022 nan 8.370 nan 0.000 0.453 747 F N 0.876 120.896 119.950 0.117 0.000 2.444 747 F HA 0.365 4.901 4.527 0.014 0.000 0.342 747 F C 0.157 176.068 175.800 0.185 0.000 1.121 747 F CA -0.744 57.318 58.000 0.102 0.000 0.997 747 F CB 1.333 40.360 39.000 0.045 0.000 1.130 747 F HN 0.060 nan 8.300 nan 0.000 0.454 748 C N 4.786 124.281 119.300 0.326 0.000 2.417 748 C HA 0.722 5.191 4.460 0.014 0.000 0.324 748 C C -0.237 174.902 174.990 0.248 0.000 1.240 748 C CA -0.881 58.306 59.018 0.281 0.000 1.632 748 C CB 0.753 28.606 27.740 0.188 0.000 2.241 748 C HN 0.561 nan 8.230 nan 0.000 0.499 749 I N 2.446 123.221 120.570 0.342 0.000 2.465 749 I HA 0.490 4.668 4.170 0.014 0.000 0.291 749 I C -0.111 176.273 176.117 0.445 0.000 1.014 749 I CA -0.006 61.472 61.300 0.298 0.000 1.093 749 I CB 1.376 39.491 38.000 0.192 0.000 1.267 749 I HN 0.641 nan 8.210 nan 0.000 0.431 750 E N 5.786 126.175 120.200 0.315 0.000 2.272 750 E HA 0.703 5.062 4.350 0.014 0.000 0.269 750 E C -1.912 174.859 176.600 0.285 0.000 0.877 750 E CA -0.841 55.749 56.400 0.317 0.000 0.755 750 E CB 2.351 32.164 29.700 0.189 0.000 1.192 750 E HN 0.478 nan 8.360 nan 0.000 0.422 751 L N 4.643 126.058 121.223 0.320 0.000 2.611 751 L HA 0.450 4.799 4.340 0.014 0.000 0.263 751 L C 0.216 177.193 176.870 0.178 0.000 0.969 751 L CA 0.766 55.751 54.840 0.241 0.000 0.894 751 L CB 1.276 43.514 42.059 0.298 0.000 1.229 751 L HN 0.804 nan 8.230 nan 0.000 0.416 752 G N 4.491 113.356 108.800 0.108 0.000 2.672 752 G HA2 -0.446 3.523 3.960 0.014 0.000 0.324 752 G HA3 -0.446 3.523 3.960 0.014 0.000 0.324 752 G C 0.557 175.480 174.900 0.038 0.000 1.286 752 G CA 0.730 45.868 45.100 0.064 0.000 1.004 752 G HN 1.256 nan 8.290 nan 0.000 0.548 753 N N 1.520 120.231 118.700 0.019 0.000 2.362 753 N HA 0.149 4.898 4.740 0.014 0.000 0.204 753 N C 0.239 175.724 175.510 -0.042 0.000 1.166 753 N CA 0.792 53.834 53.050 -0.014 0.000 0.831 753 N CB 0.131 38.605 38.487 -0.022 0.000 1.008 753 N HN 0.723 nan 8.380 nan 0.000 0.472 754 K N 0.115 120.498 120.400 -0.029 0.000 2.259 754 K HA 0.532 4.861 4.320 0.014 0.000 0.252 754 K C -0.450 176.021 176.600 -0.215 0.000 0.936 754 K CA -0.565 55.602 56.287 -0.201 0.000 0.810 754 K CB 2.220 34.534 32.500 -0.310 0.000 1.143 754 K HN -0.022 nan 8.250 nan 0.000 0.427 755 R N 1.301 121.543 120.500 -0.431 0.000 2.673 755 R HA 0.429 4.777 4.340 0.014 0.000 0.281 755 R C -1.316 174.773 176.300 -0.351 0.000 0.991 755 R CA -0.813 55.200 56.100 -0.145 0.000 0.896 755 R CB 1.722 32.051 30.300 0.048 0.000 1.201 755 R HN 0.557 nan 8.270 nan 0.000 0.457 756 W N 2.434 123.818 121.300 0.140 0.000 2.739 756 W HA 0.352 5.020 4.660 0.014 0.000 0.331 756 W C -0.519 176.053 176.519 0.088 0.000 1.049 756 W CA -0.588 56.774 57.345 0.028 0.000 1.234 756 W CB 2.255 31.728 29.460 0.021 0.000 1.404 756 W HN 0.423 nan 8.180 nan 0.000 0.477 757 Q N 2.591 122.479 119.800 0.148 0.000 2.337 757 Q HA 0.518 4.867 4.340 0.014 0.000 0.270 757 Q C -2.034 173.912 176.000 -0.090 0.000 1.043 757 Q CA -0.480 55.423 55.803 0.167 0.000 0.794 757 Q CB 1.781 30.669 28.738 0.249 0.000 1.281 757 Q HN 0.379 nan 8.270 nan 0.000 0.446 758 F N 2.754 122.784 119.950 0.132 0.000 2.449 758 F HA 0.345 4.881 4.527 0.014 0.000 0.342 758 F C 0.317 176.148 175.800 0.052 0.000 1.127 758 F CA -0.904 57.144 58.000 0.079 0.000 0.975 758 F CB 1.542 40.591 39.000 0.082 0.000 1.146 758 F HN 0.526 nan 8.300 nan 0.000 0.444 759 N N 3.348 122.154 118.700 0.177 0.000 2.430 759 N HA 0.128 4.876 4.740 0.014 0.000 0.265 759 N C 0.784 176.306 175.510 0.020 0.000 1.100 759 N CA -0.105 52.993 53.050 0.080 0.000 0.961 759 N CB 0.864 39.403 38.487 0.088 0.000 1.075 759 N HN 0.660 nan 8.380 nan 0.000 0.478 760 R N 2.184 122.621 120.500 -0.105 0.000 2.276 760 R HA -0.048 4.301 4.340 0.014 0.000 0.203 760 R C 1.500 177.728 176.300 -0.119 0.000 1.017 760 R CA 0.610 56.592 56.100 -0.196 0.000 1.010 760 R CB 0.193 30.235 30.300 -0.430 0.000 0.900 760 R HN 0.675 nan 8.270 nan 0.000 0.469 761 Q N 0.731 120.492 119.800 -0.064 0.000 2.226 761 Q HA -0.058 4.291 4.340 0.014 0.000 0.199 761 Q C 1.877 177.868 176.000 -0.016 0.000 0.945 761 Q CA 1.465 57.243 55.803 -0.040 0.000 0.861 761 Q CB 0.292 29.022 28.738 -0.014 0.000 0.953 761 Q HN 0.339 nan 8.270 nan 0.000 0.490 762 S N -1.479 114.239 115.700 0.031 0.000 2.439 762 S HA 0.155 4.634 4.470 0.014 0.000 0.224 762 S C 1.404 175.958 174.600 -0.076 0.000 1.029 762 S CA 0.839 59.089 58.200 0.083 0.000 0.946 762 S CB 0.285 63.644 63.200 0.265 0.000 0.797 762 S HN 0.619 nan 8.310 nan 0.000 0.504 763 G N 0.493 109.252 108.800 -0.068 0.000 2.137 763 G HA2 -0.205 3.764 3.960 0.014 0.000 0.237 763 G HA3 -0.205 3.764 3.960 0.014 0.000 0.237 763 G C -0.122 174.714 174.900 -0.106 0.000 1.002 763 G CA 0.215 45.248 45.100 -0.111 0.000 0.702 763 G HN 0.530 nan 8.290 nan 0.000 0.515 764 F N -1.420 118.717 119.950 0.312 0.000 2.598 764 F HA 0.673 5.209 4.527 0.014 0.000 0.327 764 F C 0.485 176.330 175.800 0.075 0.000 1.057 764 F CA -1.493 56.651 58.000 0.240 0.000 0.957 764 F CB 1.486 40.571 39.000 0.142 0.000 1.278 764 F HN 0.025 nan 8.300 nan 0.000 0.484 765 L N 1.879 123.150 121.223 0.080 0.000 2.456 765 L HA 0.179 4.527 4.340 0.014 0.000 0.277 765 L C 0.859 177.617 176.870 -0.187 0.000 1.124 765 L CA 0.492 55.027 54.840 -0.509 0.000 0.880 765 L CB 0.389 42.129 42.059 -0.532 0.000 1.192 765 L HN 0.693 nan 8.230 nan 0.000 0.463 766 S N 2.475 118.071 115.700 -0.174 0.000 2.502 766 S HA 0.303 4.781 4.470 0.014 0.000 0.215 766 S C 0.488 174.970 174.600 -0.197 0.000 1.009 766 S CA -0.130 58.012 58.200 -0.097 0.000 0.908 766 S CB 0.138 63.332 63.200 -0.010 0.000 0.801 766 S HN 0.681 nan 8.310 nan 0.000 0.505 767 Q N -0.187 119.443 119.800 -0.284 0.000 2.594 767 Q HA 0.666 5.015 4.340 0.014 0.000 0.278 767 Q C -2.098 173.591 176.000 -0.519 0.000 0.961 767 Q CA -0.255 55.264 55.803 -0.474 0.000 0.844 767 Q CB 1.572 29.934 28.738 -0.626 0.000 1.475 767 Q HN 0.411 nan 8.270 nan 0.000 0.389 768 M N 1.569 120.746 119.600 -0.705 0.000 2.433 768 M HA 0.567 5.055 4.480 0.014 0.000 0.290 768 M C -1.573 174.341 176.300 -0.644 0.000 1.173 768 M CA -0.424 54.509 55.300 -0.610 0.000 0.905 768 M CB 2.162 34.357 32.600 -0.675 0.000 1.692 768 M HN 0.499 nan 8.290 nan 0.000 0.462 769 W N 2.743 123.795 121.300 -0.414 0.000 2.761 769 W HA 0.545 5.214 4.660 0.014 0.000 0.340 769 W C -1.393 174.928 176.519 -0.329 0.000 1.072 769 W CA -0.677 56.493 57.345 -0.292 0.000 1.215 769 W CB 1.938 31.266 29.460 -0.221 0.000 1.420 769 W HN 0.350 nan 8.180 nan 0.000 0.519 770 I N 3.064 123.625 120.570 -0.016 0.000 2.428 770 I HA 0.398 4.577 4.170 0.014 0.000 0.279 770 I C 0.830 176.942 176.117 -0.009 0.000 1.040 770 I CA -0.179 61.073 61.300 -0.080 0.000 1.171 770 I CB 0.406 38.335 38.000 -0.119 0.000 1.312 770 I HN 0.737 nan 8.210 nan 0.000 0.470 771 G N 5.959 114.755 108.800 -0.007 0.000 2.557 771 G HA2 -0.355 3.613 3.960 0.014 0.000 0.292 771 G HA3 -0.355 3.613 3.960 0.014 0.000 0.292 771 G C 0.484 175.402 174.900 0.031 0.000 1.162 771 G CA 0.620 45.716 45.100 -0.006 0.000 0.964 771 G HN 0.696 nan 8.290 nan 0.000 0.541 772 D N 0.581 121.014 120.400 0.055 0.000 2.363 772 D HA 0.417 5.066 4.640 0.014 0.000 0.214 772 D C 0.726 177.180 176.300 0.257 0.000 1.093 772 D CA 0.605 54.670 54.000 0.110 0.000 0.837 772 D CB 0.393 41.212 40.800 0.032 0.000 0.948 772 D HN 0.504 nan 8.370 nan 0.000 0.507 773 K N 1.080 121.596 120.400 0.193 0.000 2.234 773 K HA 0.287 4.616 4.320 0.014 0.000 0.277 773 K C -0.606 175.984 176.600 -0.017 0.000 1.038 773 K CA -0.640 55.700 56.287 0.089 0.000 0.888 773 K CB 0.878 33.380 32.500 0.003 0.000 1.091 773 K HN -0.161 nan 8.250 nan 0.000 0.467 774 K N 2.840 123.136 120.400 -0.174 0.000 2.350 774 K HA 0.043 4.372 4.320 0.014 0.000 0.279 774 K C 0.668 177.036 176.600 -0.387 0.000 1.027 774 K CA -0.199 55.718 56.287 -0.616 0.000 0.969 774 K CB 0.889 33.069 32.500 -0.533 0.000 0.954 774 K HN 0.539 nan 8.250 nan 0.000 0.474 775 Q N 1.543 121.083 119.800 -0.434 0.000 2.339 775 Q HA 0.138 4.487 4.340 0.014 0.000 0.205 775 Q C 0.134 176.031 176.000 -0.171 0.000 0.925 775 Q CA 0.735 56.419 55.803 -0.198 0.000 0.898 775 Q CB 0.278 28.930 28.738 -0.142 0.000 1.013 775 Q HN 0.495 nan 8.270 nan 0.000 0.504 776 L N 0.493 121.547 121.223 -0.282 0.000 2.334 776 L HA 0.355 4.703 4.340 0.014 0.000 0.273 776 L C 1.073 177.799 176.870 -0.239 0.000 1.013 776 L CA -0.401 54.300 54.840 -0.231 0.000 0.816 776 L CB 1.447 43.364 42.059 -0.236 0.000 1.278 776 L HN -0.087 nan 8.230 nan 0.000 0.431 777 L N 0.044 121.124 121.223 -0.238 0.000 2.425 777 L HA 0.246 4.595 4.340 0.014 0.000 0.215 777 L C 0.175 176.916 176.870 -0.215 0.000 1.065 777 L CA 0.667 55.371 54.840 -0.226 0.000 0.842 777 L CB 0.384 42.291 42.059 -0.254 0.000 1.033 777 L HN 0.617 nan 8.230 nan 0.000 0.474 778 T N -0.114 114.285 114.554 -0.259 0.000 2.912 778 T HA 0.410 4.769 4.350 0.014 0.000 0.299 778 T C -2.584 172.027 174.700 -0.148 0.000 1.052 778 T CA -1.116 60.876 62.100 -0.179 0.000 0.996 778 T CB 2.612 71.361 68.868 -0.198 0.000 1.070 778 T HN -0.277 nan 8.240 nan 0.000 0.465 779 P HA 0.210 nan 4.420 nan 0.000 0.271 779 P C -0.737 176.512 177.300 -0.085 0.000 1.233 779 P CA -0.710 62.344 63.100 -0.077 0.000 0.789 779 P CB 0.421 32.100 31.700 -0.035 0.000 0.951 780 L N 3.185 124.392 121.223 -0.027 0.000 2.315 780 L HA 0.321 4.669 4.340 0.014 0.000 0.283 780 L C 0.012 176.808 176.870 -0.122 0.000 1.089 780 L CA 0.559 55.413 54.840 0.022 0.000 0.833 780 L CB -0.380 41.802 42.059 0.204 0.000 1.170 780 L HN 0.308 nan 8.230 nan 0.000 0.442 781 R N 2.682 123.020 120.500 -0.270 0.000 2.808 781 R HA 0.475 4.823 4.340 0.014 0.000 0.272 781 R C -1.120 175.017 176.300 -0.272 0.000 0.995 781 R CA -1.051 54.712 56.100 -0.562 0.000 0.917 781 R CB 1.156 30.937 30.300 -0.865 0.000 1.217 781 R HN 0.543 nan 8.270 nan 0.000 0.471 782 D N 1.121 121.413 120.400 -0.181 0.000 2.382 782 D HA 0.076 4.724 4.640 0.014 0.000 0.240 782 D C -0.498 175.379 176.300 -0.704 0.000 1.146 782 D CA 0.345 54.089 54.000 -0.428 0.000 0.897 782 D CB 0.669 41.188 40.800 -0.468 0.000 1.197 782 D HN 0.218 nan 8.370 nan 0.000 0.432 783 Q N 0.981 120.153 119.800 -1.046 0.000 2.271 783 Q HA 0.351 4.699 4.340 0.014 0.000 0.268 783 Q C -1.332 173.919 176.000 -1.249 0.000 1.021 783 Q CA -0.560 54.697 55.803 -0.910 0.000 0.802 783 Q CB 0.832 29.261 28.738 -0.514 0.000 1.282 783 Q HN 0.571 nan 8.270 nan 0.000 0.431 784 F N 0.841 120.364 119.950 -0.711 0.000 2.729 784 F HA 0.211 4.747 4.527 0.014 0.000 0.315 784 F C 0.512 175.850 175.800 -0.770 0.000 1.102 784 F CA -0.229 57.244 58.000 -0.880 0.000 1.204 784 F CB 1.604 39.713 39.000 -1.485 0.000 1.052 784 F HN 0.449 nan 8.300 nan 0.000 0.551 785 T N -0.966 113.261 114.554 -0.545 0.000 2.907 785 T HA 0.753 5.112 4.350 0.014 0.000 0.290 785 T C -0.608 173.824 174.700 -0.447 0.000 1.066 785 T CA -0.978 60.739 62.100 -0.639 0.000 1.012 785 T CB 2.748 71.176 68.868 -0.733 0.000 1.184 785 T HN 0.246 nan 8.240 nan 0.000 0.522 786 R N -0.019 120.266 120.500 -0.360 0.000 2.795 786 R HA 0.774 5.123 4.340 0.014 0.000 0.275 786 R C -0.775 175.575 176.300 0.082 0.000 0.981 786 R CA -1.194 54.831 56.100 -0.124 0.000 0.917 786 R CB 1.584 31.830 30.300 -0.089 0.000 1.202 786 R HN 0.830 nan 8.270 nan 0.000 0.469 787 A N 3.636 126.487 122.820 0.051 0.000 2.484 787 A HA 0.282 4.610 4.320 0.014 0.000 0.268 787 A C -1.982 175.662 177.584 0.099 0.000 1.114 787 A CA -1.343 50.725 52.037 0.052 0.000 0.780 787 A CB -0.444 18.531 19.000 -0.041 0.000 1.061 787 A HN 0.565 nan 8.150 nan 0.000 0.505 788 P HA 0.084 nan 4.420 nan 0.000 0.264 788 P C -0.190 177.219 177.300 0.182 0.000 1.193 788 P CA 0.429 63.681 63.100 0.253 0.000 0.763 788 P CB 0.370 32.250 31.700 0.299 0.000 0.810 789 L N 2.441 123.743 121.223 0.131 0.000 2.475 789 L HA 0.162 4.510 4.340 0.014 0.000 0.253 789 L C 1.877 178.770 176.870 0.038 0.000 1.198 789 L CA -0.410 54.444 54.840 0.023 0.000 0.814 789 L CB -0.079 41.919 42.059 -0.101 0.000 1.134 789 L HN 0.304 nan 8.230 nan 0.000 0.478 790 D N 0.226 120.592 120.400 -0.057 0.000 2.178 790 D HA -0.147 4.502 4.640 0.014 0.000 0.201 790 D C 1.595 177.828 176.300 -0.112 0.000 0.980 790 D CA 1.251 55.147 54.000 -0.173 0.000 0.842 790 D CB 0.070 40.675 40.800 -0.325 0.000 0.948 790 D HN 0.471 nan 8.370 nan 0.000 0.472 791 N N 1.032 119.683 118.700 -0.082 0.000 2.309 791 N HA -0.107 4.642 4.740 0.014 0.000 0.182 791 N C 1.178 176.706 175.510 0.030 0.000 1.018 791 N CA 0.674 53.705 53.050 -0.032 0.000 0.876 791 N CB -0.123 38.335 38.487 -0.050 0.000 0.972 791 N HN 0.231 nan 8.380 nan 0.000 0.434 792 D N 0.412 120.842 120.400 0.049 0.000 2.149 792 D HA 0.018 4.666 4.640 0.014 0.000 0.201 792 D C 2.008 178.350 176.300 0.071 0.000 0.972 792 D CA 0.516 54.574 54.000 0.097 0.000 0.835 792 D CB 0.064 40.993 40.800 0.216 0.000 0.966 792 D HN 0.308 nan 8.370 nan 0.000 0.476 793 I N 0.137 120.738 120.570 0.052 0.000 2.400 793 I HA 0.054 4.232 4.170 0.014 0.000 0.248 793 I C 1.791 177.934 176.117 0.043 0.000 1.109 793 I CA 0.606 61.926 61.300 0.033 0.000 1.425 793 I CB -0.349 37.645 38.000 -0.010 0.000 1.094 793 I HN 0.065 nan 8.210 nan 0.000 0.425 794 G N 1.345 110.187 108.800 0.071 0.000 2.574 794 G HA2 -0.348 3.620 3.960 0.014 0.000 0.286 794 G HA3 -0.348 3.620 3.960 0.014 0.000 0.286 794 G C 0.707 175.774 174.900 0.278 0.000 1.212 794 G CA 0.799 46.009 45.100 0.183 0.000 0.979 794 G HN 0.491 nan 8.290 nan 0.000 0.557 795 V N -1.753 118.266 119.914 0.174 0.000 3.649 795 V HA 0.556 4.685 4.120 0.014 0.000 0.275 795 V C 1.400 177.512 176.094 0.029 0.000 1.281 795 V CA 1.332 63.673 62.300 0.068 0.000 1.143 795 V CB -0.060 31.696 31.823 -0.112 0.000 0.892 795 V HN 1.296 nan 8.190 nan 0.000 0.441 796 S N 1.038 116.758 115.700 0.033 0.000 2.558 796 S HA 0.252 4.731 4.470 0.014 0.000 0.288 796 S C -0.112 174.495 174.600 0.011 0.000 1.318 796 S CA 0.168 58.371 58.200 0.005 0.000 1.056 796 S CB 0.279 63.477 63.200 -0.002 0.000 0.853 796 S HN 0.824 nan 8.310 nan 0.000 0.505 797 E N 1.367 121.568 120.200 0.001 0.000 2.383 797 E HA 0.574 4.933 4.350 0.014 0.000 0.275 797 E C 0.445 177.050 176.600 0.009 0.000 0.918 797 E CA -0.425 55.980 56.400 0.010 0.000 0.764 797 E CB 1.511 31.213 29.700 0.004 0.000 1.252 797 E HN 0.617 nan 8.360 nan 0.000 0.449 798 A N 1.083 123.915 122.820 0.020 0.000 1.940 798 A HA -0.181 4.147 4.320 0.014 0.000 0.219 798 A C 1.981 179.573 177.584 0.013 0.000 1.176 798 A CA 2.473 54.521 52.037 0.019 0.000 0.631 798 A CB -0.774 18.242 19.000 0.028 0.000 0.814 798 A HN 0.628 nan 8.150 nan 0.000 0.446 799 T N -2.908 111.653 114.554 0.012 0.000 3.055 799 T HA 0.031 4.389 4.350 0.014 0.000 0.265 799 T C 0.924 175.621 174.700 -0.004 0.000 1.111 799 T CA 0.632 62.736 62.100 0.006 0.000 1.118 799 T CB -0.135 68.737 68.868 0.007 0.000 0.909 799 T HN 0.246 nan 8.240 nan 0.000 0.501 800 R N 1.596 122.091 120.500 -0.009 0.000 2.855 800 R HA 0.310 4.658 4.340 0.014 0.000 0.261 800 R C -0.990 175.297 176.300 -0.022 0.000 1.826 800 R CA -0.538 55.550 56.100 -0.021 0.000 1.435 800 R CB 0.394 30.674 30.300 -0.033 0.000 1.383 800 R HN 0.333 nan 8.270 nan 0.000 0.583 801 I N 1.968 122.528 120.570 -0.017 0.000 2.648 801 I HA -0.044 4.134 4.170 0.014 0.000 0.284 801 I C 0.604 176.702 176.117 -0.031 0.000 1.153 801 I CA 0.448 61.737 61.300 -0.019 0.000 1.426 801 I CB 0.709 38.701 38.000 -0.014 0.000 1.381 801 I HN 0.373 nan 8.210 nan 0.000 0.571 802 D N 9.498 129.877 120.400 -0.036 0.000 2.473 802 D HA 0.257 4.905 4.640 0.014 0.000 0.226 802 D C -1.584 174.675 176.300 -0.068 0.000 1.089 802 D CA -2.308 51.662 54.000 -0.050 0.000 0.883 802 D CB 1.459 42.232 40.800 -0.045 0.000 1.029 802 D HN 0.179 nan 8.370 nan 0.000 0.517 803 P HA -0.167 nan 4.420 nan 0.000 0.220 803 P C 0.992 178.206 177.300 -0.142 0.000 1.144 803 P CA 0.881 63.928 63.100 -0.089 0.000 0.800 803 P CB 0.238 31.894 31.700 -0.074 0.000 0.772 804 N N -0.316 118.292 118.700 -0.153 0.000 2.409 804 N HA -0.007 4.741 4.740 0.014 0.000 0.179 804 N C 0.522 175.853 175.510 -0.299 0.000 1.032 804 N CA -0.067 52.850 53.050 -0.221 0.000 0.898 804 N CB -0.071 38.312 38.487 -0.174 0.000 0.971 804 N HN -0.013 nan 8.380 nan 0.000 0.441 805 A N 0.391 123.084 122.820 -0.212 0.000 2.520 805 A HA -0.071 4.258 4.320 0.014 0.000 0.235 805 A C 0.577 177.975 177.584 -0.311 0.000 1.065 805 A CA -0.181 51.733 52.037 -0.204 0.000 0.764 805 A CB -0.184 18.761 19.000 -0.092 0.000 1.002 805 A HN 0.498 nan 8.150 nan 0.000 0.502 806 W N 1.618 122.672 121.300 -0.410 0.000 2.338 806 W HA -0.154 4.514 4.660 0.014 0.000 0.304 806 W C 2.215 178.141 176.519 -0.988 0.000 1.212 806 W CA 1.550 58.392 57.345 -0.838 0.000 1.264 806 W CB -0.252 28.595 29.460 -1.023 0.000 1.142 806 W HN 0.572 nan 8.180 nan 0.000 0.512 807 V N 0.874 120.650 119.914 -0.230 0.000 2.392 807 V HA -0.264 3.864 4.120 0.014 0.000 0.249 807 V C 2.101 178.259 176.094 0.106 0.000 1.059 807 V CA 2.074 64.442 62.300 0.113 0.000 1.051 807 V CB -0.312 31.616 31.823 0.176 0.000 0.658 807 V HN 0.091 nan 8.190 nan 0.000 0.455 808 E N -0.116 120.062 120.200 -0.037 0.000 2.107 808 E HA -0.156 4.202 4.350 0.014 0.000 0.191 808 E C 2.333 178.903 176.600 -0.050 0.000 0.982 808 E CA 0.940 57.325 56.400 -0.026 0.000 0.809 808 E CB -0.266 29.397 29.700 -0.061 0.000 0.756 808 E HN 0.613 nan 8.360 nan 0.000 0.459 809 R N -0.129 120.266 120.500 -0.175 0.000 2.081 809 R HA -0.112 4.237 4.340 0.014 0.000 0.235 809 R C 2.271 178.521 176.300 -0.083 0.000 1.131 809 R CA 1.304 57.284 56.100 -0.201 0.000 0.960 809 R CB -0.165 29.909 30.300 -0.377 0.000 0.856 809 R HN 0.233 nan 8.270 nan 0.000 0.436 810 W N 1.368 122.655 121.300 -0.021 0.000 2.358 810 W HA -0.072 4.597 4.660 0.014 0.000 0.303 810 W C 1.905 178.415 176.519 -0.015 0.000 1.208 810 W CA 0.763 58.006 57.345 -0.171 0.000 1.274 810 W CB -0.592 28.912 29.460 0.073 0.000 1.138 810 W HN 0.099 nan 8.180 nan 0.000 0.515 811 K N 0.069 120.704 120.400 0.391 0.000 2.025 811 K HA -0.059 4.270 4.320 0.014 0.000 0.207 811 K C 2.277 178.955 176.600 0.130 0.000 1.049 811 K CA 1.707 58.179 56.287 0.309 0.000 0.933 811 K CB -0.595 32.016 32.500 0.186 0.000 0.714 811 K HN -0.040 nan 8.250 nan 0.000 0.438 812 A N 0.961 123.824 122.820 0.072 0.000 2.067 812 A HA -0.046 4.282 4.320 0.014 0.000 0.219 812 A C 2.104 179.697 177.584 0.016 0.000 1.158 812 A CA 1.658 53.719 52.037 0.040 0.000 0.661 812 A CB -0.461 18.549 19.000 0.017 0.000 0.801 812 A HN 0.327 nan 8.150 nan 0.000 0.452 813 A N -1.782 121.028 122.820 -0.016 0.000 2.251 813 A HA 0.419 4.747 4.320 0.014 0.000 0.209 813 A C 1.751 179.285 177.584 -0.084 0.000 1.187 813 A CA 1.114 53.150 52.037 -0.002 0.000 0.823 813 A CB -0.862 18.123 19.000 -0.024 0.000 0.846 813 A HN 1.813 nan 8.150 nan 0.000 0.486 814 G N -1.170 107.467 108.800 -0.271 0.000 2.143 814 G HA2 -0.322 3.646 3.960 0.014 0.000 0.248 814 G HA3 -0.322 3.646 3.960 0.014 0.000 0.248 814 G C 0.601 175.492 174.900 -0.015 0.000 0.991 814 G CA 0.731 45.463 45.100 -0.613 0.000 0.689 814 G HN 0.769 nan 8.290 nan 0.000 0.522 815 H N -1.589 117.468 119.070 -0.021 0.000 2.387 815 H HA -0.105 4.460 4.556 0.014 0.000 0.299 815 H C 2.265 177.558 175.328 -0.057 0.000 1.099 815 H CA 1.626 57.672 56.048 -0.003 0.000 1.315 815 H CB 0.053 29.764 29.762 -0.086 0.000 1.380 815 H HN 0.613 nan 8.280 nan 0.000 0.513 816 Y N 0.791 121.215 120.300 0.207 0.000 2.373 816 Y HA -0.101 4.457 4.550 0.014 0.000 0.293 816 Y C 2.345 178.333 175.900 0.146 0.000 1.129 816 Y CA 0.728 58.914 58.100 0.143 0.000 1.226 816 Y CB 0.222 38.751 38.460 0.115 0.000 1.000 816 Y HN 0.201 nan 8.280 nan 0.000 0.549 817 Q N -0.190 119.777 119.800 0.279 0.000 2.356 817 Q HA 0.260 4.608 4.340 0.014 0.000 0.205 817 Q C 0.781 176.964 176.000 0.305 0.000 0.901 817 Q CA 0.154 56.115 55.803 0.263 0.000 0.938 817 Q CB 0.293 29.184 28.738 0.254 0.000 1.081 817 Q HN 0.294 nan 8.270 nan 0.000 0.517 818 A N 2.601 125.622 122.820 0.335 0.000 2.561 818 A HA 0.051 4.380 4.320 0.014 0.000 0.234 818 A C -0.101 177.791 177.584 0.513 0.000 1.055 818 A CA 0.142 52.447 52.037 0.447 0.000 0.756 818 A CB 0.000 19.316 19.000 0.527 0.000 0.986 818 A HN 0.256 nan 8.150 nan 0.000 0.505 819 E N 1.633 122.041 120.200 0.347 0.000 2.187 819 E HA 0.611 4.969 4.350 0.014 0.000 0.268 819 E C -0.260 176.272 176.600 -0.114 0.000 0.896 819 E CA -0.589 55.927 56.400 0.193 0.000 0.766 819 E CB 1.570 31.365 29.700 0.158 0.000 1.142 819 E HN 0.753 nan 8.360 nan 0.000 0.408 820 A N 2.813 125.445 122.820 -0.313 0.000 2.520 820 A HA 0.464 4.793 4.320 0.014 0.000 0.245 820 A C 0.036 177.462 177.584 -0.263 0.000 1.072 820 A CA 0.115 51.699 52.037 -0.756 0.000 0.761 820 A CB 0.090 18.793 19.000 -0.494 0.000 1.004 820 A HN 0.745 nan 8.150 nan 0.000 0.499 821 A N 2.735 125.396 122.820 -0.265 0.000 2.304 821 A HA 0.575 4.903 4.320 0.014 0.000 0.314 821 A C -0.472 177.028 177.584 -0.140 0.000 1.187 821 A CA -0.572 51.391 52.037 -0.123 0.000 0.810 821 A CB 0.565 19.511 19.000 -0.090 0.000 1.183 821 A HN 1.235 nan 8.150 nan 0.000 0.487 822 L N 3.500 124.623 121.223 -0.167 0.000 2.361 822 L HA 0.286 4.635 4.340 0.014 0.000 0.278 822 L C 0.569 177.296 176.870 -0.238 0.000 1.113 822 L CA 0.270 54.902 54.840 -0.347 0.000 0.849 822 L CB 0.225 42.102 42.059 -0.304 0.000 1.155 822 L HN 0.785 nan 8.230 nan 0.000 0.452 823 L N 3.420 124.492 121.223 -0.252 0.000 2.316 823 L HA 0.252 4.600 4.340 0.014 0.000 0.207 823 L C 0.609 177.405 176.870 -0.123 0.000 1.070 823 L CA 0.214 54.974 54.840 -0.133 0.000 0.820 823 L CB -0.078 41.936 42.059 -0.076 0.000 0.992 823 L HN 0.732 nan 8.230 nan 0.000 0.466 824 Q N -0.488 119.210 119.800 -0.171 0.000 2.527 824 Q HA 0.295 4.644 4.340 0.014 0.000 0.280 824 Q C -2.121 173.812 176.000 -0.112 0.000 0.977 824 Q CA -0.553 55.187 55.803 -0.106 0.000 0.837 824 Q CB 3.026 31.733 28.738 -0.052 0.000 1.454 824 Q HN 0.053 nan 8.270 nan 0.000 0.387 825 C N 2.769 122.049 119.300 -0.034 0.000 2.789 825 C HA 0.753 5.221 4.460 0.014 0.000 0.367 825 C C -1.046 174.050 174.990 0.177 0.000 1.062 825 C CA 0.528 59.569 59.018 0.039 0.000 1.297 825 C CB 0.551 28.288 27.740 -0.005 0.000 1.794 825 C HN 0.811 nan 8.230 nan 0.000 0.474 826 T N 2.685 117.309 114.554 0.117 0.000 2.906 826 T HA 0.883 5.241 4.350 0.014 0.000 0.295 826 T C -0.463 174.066 174.700 -0.284 0.000 1.061 826 T CA -0.209 61.920 62.100 0.049 0.000 1.000 826 T CB 1.874 70.734 68.868 -0.013 0.000 1.103 826 T HN 1.668 nan 8.240 nan 0.000 0.486 827 A N 1.945 124.364 122.820 -0.668 0.000 2.350 827 A HA 0.796 5.125 4.320 0.014 0.000 0.324 827 A C -0.987 176.323 177.584 -0.458 0.000 1.118 827 A CA -0.714 50.825 52.037 -0.831 0.000 0.783 827 A CB 1.179 19.269 19.000 -1.518 0.000 1.236 827 A HN 0.903 nan 8.150 nan 0.000 0.457 828 D N 0.728 120.922 120.400 -0.343 0.000 2.857 828 D HA 0.434 5.082 4.640 0.014 0.000 0.227 828 D C -1.091 175.093 176.300 -0.193 0.000 1.192 828 D CA -0.023 53.846 54.000 -0.218 0.000 0.857 828 D CB 2.393 43.100 40.800 -0.156 0.000 1.645 828 D HN 0.433 nan 8.370 nan 0.000 0.482 829 T N 1.897 116.362 114.554 -0.148 0.000 2.767 829 T HA 0.496 4.854 4.350 0.014 0.000 0.284 829 T C 0.539 175.190 174.700 -0.082 0.000 0.973 829 T CA -0.426 61.602 62.100 -0.120 0.000 0.996 829 T CB 0.960 69.765 68.868 -0.105 0.000 0.927 829 T HN 0.111 nan 8.240 nan 0.000 0.456 830 L N 1.459 122.638 121.223 -0.073 0.000 2.376 830 L HA 0.610 4.958 4.340 0.014 0.000 0.267 830 L C 1.954 178.804 176.870 -0.034 0.000 1.035 830 L CA -1.019 53.790 54.840 -0.051 0.000 0.800 830 L CB 0.370 42.398 42.059 -0.051 0.000 1.290 830 L HN 0.714 nan 8.230 nan 0.000 0.462 831 A N 0.507 123.313 122.820 -0.023 0.000 1.908 831 A HA -0.183 4.146 4.320 0.014 0.000 0.218 831 A C 1.221 178.801 177.584 -0.007 0.000 1.181 831 A CA 2.225 54.256 52.037 -0.011 0.000 0.627 831 A CB -0.474 18.521 19.000 -0.007 0.000 0.818 831 A HN 0.907 nan 8.150 nan 0.000 0.445 832 D N -2.685 117.706 120.400 -0.015 0.000 2.582 832 D HA 0.533 5.182 4.640 0.014 0.000 0.246 832 D C -0.084 176.198 176.300 -0.030 0.000 1.334 832 D CA 0.687 54.679 54.000 -0.014 0.000 0.805 832 D CB -0.118 40.677 40.800 -0.009 0.000 1.087 832 D HN 0.523 nan 8.370 nan 0.000 0.499 833 A N -0.549 122.244 122.820 -0.045 0.000 2.566 833 A HA 0.576 4.905 4.320 0.014 0.000 0.290 833 A C -1.725 175.802 177.584 -0.094 0.000 1.071 833 A CA -0.663 51.331 52.037 -0.072 0.000 0.658 833 A CB 1.417 20.375 19.000 -0.070 0.000 1.285 833 A HN 0.001 nan 8.150 nan 0.000 0.427 834 V N 0.642 120.477 119.914 -0.132 0.000 2.483 834 V HA 0.643 4.771 4.120 0.014 0.000 0.295 834 V C -0.835 175.153 176.094 -0.178 0.000 1.035 834 V CA -0.415 61.784 62.300 -0.168 0.000 0.896 834 V CB 1.332 33.040 31.823 -0.191 0.000 0.986 834 V HN 0.861 nan 8.190 nan 0.000 0.447 835 L N 6.588 127.696 121.223 -0.191 0.000 2.343 835 L HA 0.618 4.967 4.340 0.014 0.000 0.278 835 L C -0.764 175.964 176.870 -0.238 0.000 0.996 835 L CA -0.022 54.716 54.840 -0.170 0.000 0.831 835 L CB 1.269 43.256 42.059 -0.120 0.000 1.232 835 L HN 0.423 nan 8.230 nan 0.000 0.413 836 I N 4.033 124.446 120.570 -0.261 0.000 2.336 836 I HA 0.408 4.587 4.170 0.014 0.000 0.292 836 I C 0.027 176.089 176.117 -0.092 0.000 0.991 836 I CA -0.216 60.875 61.300 -0.347 0.000 1.227 836 I CB 1.285 38.788 38.000 -0.827 0.000 1.366 836 I HN 0.543 nan 8.210 nan 0.000 0.466 837 T N 4.995 119.507 114.554 -0.069 0.000 2.829 837 T HA 0.662 5.020 4.350 0.014 0.000 0.280 837 T C 0.228 174.961 174.700 0.056 0.000 0.999 837 T CA -0.500 61.614 62.100 0.023 0.000 0.983 837 T CB 1.925 70.785 68.868 -0.012 0.000 0.968 837 T HN 0.810 nan 8.240 nan 0.000 0.446 838 T N -0.738 113.891 114.554 0.125 0.000 2.883 838 T HA 0.865 5.224 4.350 0.014 0.000 0.296 838 T C -1.331 173.426 174.700 0.095 0.000 1.117 838 T CA -1.073 61.084 62.100 0.095 0.000 1.006 838 T CB 1.992 70.983 68.868 0.206 0.000 1.191 838 T HN 0.801 nan 8.240 nan 0.000 0.508 839 A N 1.396 124.198 122.820 -0.029 0.000 2.437 839 A HA 0.762 5.090 4.320 0.014 0.000 0.293 839 A C -1.445 176.043 177.584 -0.161 0.000 1.038 839 A CA -0.750 51.302 52.037 0.025 0.000 0.708 839 A CB 0.856 19.870 19.000 0.024 0.000 1.251 839 A HN 0.992 nan 8.150 nan 0.000 0.409 840 H N 0.098 119.209 119.070 0.069 0.000 2.797 840 H HA 0.827 5.392 4.556 0.014 0.000 0.372 840 H C -0.012 175.326 175.328 0.016 0.000 1.168 840 H CA 0.260 56.275 56.048 -0.055 0.000 1.163 840 H CB 2.150 31.801 29.762 -0.184 0.000 1.778 840 H HN 1.007 nan 8.280 nan 0.000 0.551 841 A N 1.367 124.189 122.820 0.004 0.000 2.371 841 A HA 0.442 4.770 4.320 0.014 0.000 0.311 841 A C -1.451 176.102 177.584 -0.051 0.000 1.068 841 A CA -0.695 51.398 52.037 0.093 0.000 0.744 841 A CB 1.193 20.233 19.000 0.066 0.000 1.239 841 A HN 0.558 nan 8.150 nan 0.000 0.435 842 W N 1.863 123.278 121.300 0.191 0.000 2.429 842 W HA 0.468 5.137 4.660 0.014 0.000 0.314 842 W C -0.389 176.163 176.519 0.055 0.000 1.062 842 W CA -0.097 57.360 57.345 0.186 0.000 1.211 842 W CB 1.807 31.450 29.460 0.306 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.614 121.544 119.800 0.216 0.000 2.495 843 Q HA 0.404 4.752 4.340 0.014 0.000 0.287 843 Q C -1.057 175.074 176.000 0.219 0.000 1.078 843 Q CA -0.897 54.995 55.803 0.148 0.000 0.793 843 Q CB 3.760 32.548 28.738 0.083 0.000 1.459 843 Q HN 0.412 nan 8.270 nan 0.000 0.422 844 H N 1.210 120.314 119.070 0.058 0.000 2.934 844 H HA 0.091 4.655 4.556 0.014 0.000 0.340 844 H C -0.950 174.413 175.328 0.058 0.000 1.008 844 H CA -0.181 55.913 56.048 0.076 0.000 1.317 844 H CB 1.444 31.263 29.762 0.095 0.000 1.670 844 H HN 0.828 nan 8.280 nan 0.000 0.516 845 Q N 3.038 122.582 119.800 -0.426 0.000 2.457 845 Q HA -0.225 4.123 4.340 0.014 0.000 0.283 845 Q C 0.928 176.866 176.000 -0.103 0.000 1.234 845 Q CA 1.627 57.242 55.803 -0.313 0.000 0.877 845 Q CB -1.420 27.114 28.738 -0.340 0.000 1.250 845 Q HN 1.209 nan 8.270 nan 0.000 0.481 846 G N -0.977 107.791 108.800 -0.052 0.000 2.179 846 G HA2 -0.387 3.581 3.960 0.014 0.000 0.260 846 G HA3 -0.387 3.581 3.960 0.014 0.000 0.260 846 G C -0.071 174.839 174.900 0.016 0.000 0.977 846 G CA 0.467 45.562 45.100 -0.009 0.000 0.641 846 G HN 0.524 nan 8.290 nan 0.000 0.533 847 K N 1.136 121.560 120.400 0.039 0.000 2.159 847 K HA 0.674 5.002 4.320 0.014 0.000 0.266 847 K C -0.009 176.612 176.600 0.035 0.000 0.975 847 K CA -0.228 56.085 56.287 0.042 0.000 0.865 847 K CB 1.104 33.637 32.500 0.055 0.000 1.087 847 K HN -0.017 nan 8.250 nan 0.000 0.446 848 T N 5.996 120.557 114.554 0.012 0.000 2.729 848 T HA 0.232 4.591 4.350 0.014 0.000 0.296 848 T C 1.024 175.668 174.700 -0.092 0.000 0.928 848 T CA -0.476 61.623 62.100 -0.001 0.000 1.045 848 T CB 0.290 69.171 68.868 0.021 0.000 0.902 848 T HN 0.560 nan 8.240 nan 0.000 0.500 849 L N 2.496 123.581 121.223 -0.231 0.000 2.062 849 L HA 0.320 4.669 4.340 0.014 0.000 0.202 849 L C 0.080 176.445 176.870 -0.841 0.000 1.079 849 L CA 1.015 55.420 54.840 -0.725 0.000 0.755 849 L CB -0.066 41.214 42.059 -1.299 0.000 0.913 849 L HN 0.507 nan 8.230 nan 0.000 0.445 850 F N -1.298 118.602 119.950 -0.083 0.000 2.613 850 F HA 0.587 5.123 4.527 0.014 0.000 0.314 850 F C -0.446 175.431 175.800 0.130 0.000 1.075 850 F CA -0.832 57.059 58.000 -0.181 0.000 0.945 850 F CB 2.076 40.586 39.000 -0.818 0.000 1.310 850 F HN -0.294 nan 8.300 nan 0.000 0.467 851 I N 1.350 122.125 120.570 0.341 0.000 2.466 851 I HA 0.325 4.503 4.170 0.014 0.000 0.289 851 I C -0.852 175.511 176.117 0.410 0.000 1.026 851 I CA -0.541 60.982 61.300 0.371 0.000 1.078 851 I CB 2.190 40.325 38.000 0.226 0.000 1.249 851 I HN 0.523 nan 8.210 nan 0.000 0.429 852 S N 6.964 122.999 115.700 0.560 0.000 2.456 852 S HA 0.548 5.027 4.470 0.014 0.000 0.316 852 S C -0.589 174.233 174.600 0.370 0.000 1.089 852 S CA -0.688 57.811 58.200 0.499 0.000 1.101 852 S CB 0.591 64.207 63.200 0.694 0.000 0.995 852 S HN 0.532 nan 8.310 nan 0.000 0.468 853 R N 3.651 124.296 120.500 0.241 0.000 2.445 853 R HA 0.562 4.911 4.340 0.014 0.000 0.308 853 R C -0.673 175.695 176.300 0.114 0.000 0.961 853 R CA -0.739 55.464 56.100 0.173 0.000 0.862 853 R CB 1.725 32.099 30.300 0.124 0.000 1.144 853 R HN 0.585 nan 8.270 nan 0.000 0.447 854 K N 0.766 121.233 120.400 0.112 0.000 2.480 854 K HA 0.447 4.775 4.320 0.014 0.000 0.258 854 K C -0.736 175.859 176.600 -0.009 0.000 0.990 854 K CA -0.918 55.365 56.287 -0.006 0.000 0.857 854 K CB 2.503 34.963 32.500 -0.067 0.000 1.384 854 K HN 0.629 nan 8.250 nan 0.000 0.446 855 T N -1.555 112.923 114.554 -0.128 0.000 2.893 855 T HA 0.586 4.945 4.350 0.014 0.000 0.291 855 T C -1.263 173.338 174.700 -0.165 0.000 1.028 855 T CA -0.747 61.321 62.100 -0.052 0.000 0.995 855 T CB 0.595 69.447 68.868 -0.026 0.000 1.051 855 T HN 0.415 nan 8.240 nan 0.000 0.470 856 Y N 0.615 120.882 120.300 -0.055 0.000 2.326 856 Y HA 0.595 5.153 4.550 0.014 0.000 0.329 856 Y C 0.331 176.171 175.900 -0.100 0.000 0.973 856 Y CA -1.085 57.002 58.100 -0.021 0.000 1.162 856 Y CB 1.844 40.325 38.460 0.034 0.000 1.147 856 Y HN 0.682 nan 8.280 nan 0.000 0.456 857 R N 4.683 125.213 120.500 0.050 0.000 2.360 857 R HA 0.652 5.001 4.340 0.014 0.000 0.318 857 R C -1.573 174.682 176.300 -0.075 0.000 0.950 857 R CA -0.456 55.626 56.100 -0.031 0.000 0.837 857 R CB 0.648 30.933 30.300 -0.026 0.000 1.165 857 R HN 0.791 nan 8.270 nan 0.000 0.458 858 I N 4.854 125.323 120.570 -0.168 0.000 2.339 858 I HA 0.211 4.389 4.170 0.014 0.000 0.290 858 I C -0.278 175.721 176.117 -0.196 0.000 0.994 858 I CA -0.698 60.427 61.300 -0.291 0.000 1.191 858 I CB 1.577 39.204 38.000 -0.621 0.000 1.343 858 I HN 0.689 nan 8.210 nan 0.000 0.458 859 D N 3.789 124.107 120.400 -0.135 0.000 2.506 859 D HA 0.319 4.968 4.640 0.014 0.000 0.254 859 D C 1.296 177.565 176.300 -0.053 0.000 1.089 859 D CA -0.735 53.219 54.000 -0.075 0.000 1.050 859 D CB 0.929 41.706 40.800 -0.039 0.000 1.221 859 D HN 0.460 nan 8.370 nan 0.000 0.589 860 G N -1.178 107.603 108.800 -0.032 0.000 2.501 860 G HA2 -0.218 3.750 3.960 0.014 0.000 0.220 860 G HA3 -0.218 3.750 3.960 0.014 0.000 0.220 860 G C 1.135 176.026 174.900 -0.015 0.000 1.114 860 G CA 1.125 46.214 45.100 -0.018 0.000 0.757 860 G HN 0.559 nan 8.290 nan 0.000 0.559 861 S N -1.328 114.366 115.700 -0.011 0.000 2.556 861 S HA 0.402 4.880 4.470 0.014 0.000 0.216 861 S C 1.759 176.392 174.600 0.055 0.000 0.970 861 S CA 0.866 59.069 58.200 0.006 0.000 0.912 861 S CB 0.177 63.378 63.200 0.001 0.000 0.790 861 S HN 1.454 nan 8.310 nan 0.000 0.504 862 G N 0.744 109.590 108.800 0.075 0.000 2.176 862 G HA2 -0.217 3.752 3.960 0.014 0.000 0.253 862 G HA3 -0.217 3.752 3.960 0.014 0.000 0.253 862 G C -0.178 174.838 174.900 0.193 0.000 0.979 862 G CA -0.011 45.202 45.100 0.189 0.000 0.641 862 G HN 0.584 nan 8.290 nan 0.000 0.530 863 Q N -0.236 119.619 119.800 0.092 0.000 2.261 863 Q HA 0.556 4.904 4.340 0.014 0.000 0.252 863 Q C 0.123 176.156 176.000 0.056 0.000 0.915 863 Q CA -0.111 55.758 55.803 0.109 0.000 0.915 863 Q CB 1.529 30.319 28.738 0.086 0.000 1.204 863 Q HN 0.468 nan 8.270 nan 0.000 0.421 864 M N 2.249 121.929 119.600 0.134 0.000 2.047 864 M HA 0.428 4.916 4.480 0.014 0.000 0.342 864 M C -1.239 175.169 176.300 0.180 0.000 1.058 864 M CA -0.441 54.917 55.300 0.097 0.000 0.991 864 M CB 0.883 33.583 32.600 0.165 0.000 1.474 864 M HN 0.661 nan 8.290 nan 0.000 0.419 865 A N 7.054 129.941 122.820 0.111 0.000 2.269 865 A HA 0.644 4.973 4.320 0.014 0.000 0.302 865 A C -0.702 176.918 177.584 0.060 0.000 1.266 865 A CA -0.578 51.521 52.037 0.104 0.000 0.894 865 A CB 0.052 19.091 19.000 0.066 0.000 1.147 865 A HN 0.917 nan 8.150 nan 0.000 0.537 866 I N 2.725 123.315 120.570 0.033 0.000 2.355 866 I HA 0.281 4.459 4.170 0.014 0.000 0.288 866 I C -0.114 175.890 176.117 -0.188 0.000 0.999 866 I CA -0.187 61.022 61.300 -0.152 0.000 1.163 866 I CB 1.912 39.848 38.000 -0.108 0.000 1.316 866 I HN 0.483 nan 8.210 nan 0.000 0.454 867 T N 5.926 120.336 114.554 -0.241 0.000 2.794 867 T HA 0.534 4.892 4.350 0.014 0.000 0.280 867 T C -0.195 174.277 174.700 -0.380 0.000 0.987 867 T CA -0.450 61.500 62.100 -0.250 0.000 0.993 867 T CB 1.804 70.627 68.868 -0.074 0.000 0.939 867 T HN 0.215 nan 8.240 nan 0.000 0.449 868 V N 3.787 123.326 119.914 -0.625 0.000 2.531 868 V HA 0.474 4.602 4.120 0.014 0.000 0.301 868 V C -0.688 175.182 176.094 -0.374 0.000 1.034 868 V CA -0.920 61.039 62.300 -0.568 0.000 0.865 868 V CB 2.014 33.233 31.823 -1.008 0.000 0.995 868 V HN 0.863 nan 8.190 nan 0.000 0.424 869 D N 3.446 123.804 120.400 -0.070 0.000 2.549 869 D HA 0.516 5.165 4.640 0.014 0.000 0.251 869 D C -1.012 175.388 176.300 0.167 0.000 1.153 869 D CA -0.143 53.913 54.000 0.095 0.000 0.861 869 D CB 2.851 43.740 40.800 0.148 0.000 1.207 869 D HN 0.259 nan 8.370 nan 0.000 0.543 870 V N 2.185 122.237 119.914 0.230 0.000 2.581 870 V HA 0.309 4.437 4.120 0.014 0.000 0.303 870 V C 0.129 176.350 176.094 0.210 0.000 1.041 870 V CA -0.698 61.757 62.300 0.257 0.000 0.907 870 V CB 2.459 34.474 31.823 0.320 0.000 0.994 870 V HN 0.379 nan 8.190 nan 0.000 0.442 871 E N 2.255 122.569 120.200 0.189 0.000 2.183 871 E HA 0.632 4.990 4.350 0.014 0.000 0.271 871 E C -1.577 175.121 176.600 0.164 0.000 0.919 871 E CA -0.593 55.897 56.400 0.150 0.000 0.781 871 E CB 2.548 32.324 29.700 0.126 0.000 1.140 871 E HN 0.421 nan 8.360 nan 0.000 0.402 872 V N 2.107 122.118 119.914 0.162 0.000 2.407 872 V HA 0.348 4.477 4.120 0.014 0.000 0.291 872 V C 0.056 176.224 176.094 0.124 0.000 1.018 872 V CA -0.983 61.432 62.300 0.191 0.000 0.842 872 V CB 1.403 33.382 31.823 0.259 0.000 0.996 872 V HN 0.829 nan 8.190 nan 0.000 0.426 873 A N 3.563 126.412 122.820 0.048 0.000 2.566 873 A HA 0.257 4.586 4.320 0.014 0.000 0.245 873 A C 1.706 179.350 177.584 0.101 0.000 1.056 873 A CA 0.655 52.719 52.037 0.045 0.000 0.757 873 A CB 0.211 19.207 19.000 -0.006 0.000 0.979 873 A HN 1.420 nan 8.150 nan 0.000 0.508 874 S N 1.552 117.313 115.700 0.101 0.000 2.420 874 S HA -0.201 4.277 4.470 0.014 0.000 0.237 874 S C 0.963 175.648 174.600 0.141 0.000 1.023 874 S CA 1.556 59.838 58.200 0.136 0.000 0.991 874 S CB -0.354 62.905 63.200 0.098 0.000 0.792 874 S HN 0.835 nan 8.310 nan 0.000 0.488 875 D N 0.051 120.507 120.400 0.093 0.000 2.339 875 D HA 0.137 4.786 4.640 0.014 0.000 0.217 875 D C 0.615 176.957 176.300 0.069 0.000 1.050 875 D CA 0.115 54.155 54.000 0.067 0.000 0.856 875 D CB -0.488 40.338 40.800 0.043 0.000 0.922 875 D HN 0.333 nan 8.370 nan 0.000 0.518 876 T N 1.417 116.036 114.554 0.109 0.000 2.928 876 T HA 0.384 4.743 4.350 0.014 0.000 0.284 876 T C -2.609 172.217 174.700 0.210 0.000 1.008 876 T CA -1.990 60.204 62.100 0.157 0.000 1.057 876 T CB 1.191 70.163 68.868 0.175 0.000 1.018 876 T HN -0.157 nan 8.240 nan 0.000 0.493 877 P HA 0.075 nan 4.420 nan 0.000 0.265 877 P C -0.601 177.030 177.300 0.550 0.000 1.193 877 P CA 0.130 63.364 63.100 0.224 0.000 0.765 877 P CB -0.098 31.707 31.700 0.175 0.000 0.823 878 H N 3.915 123.356 119.070 0.618 0.000 3.034 878 H HA 0.061 4.625 4.556 0.014 0.000 0.324 878 H C -1.580 174.075 175.328 0.545 0.000 1.015 878 H CA -1.300 55.048 56.048 0.500 0.000 1.429 878 H CB -0.445 29.556 29.762 0.399 0.000 1.429 878 H HN 0.374 nan 8.280 nan 0.000 0.585 879 P HA 0.018 nan 4.420 nan 0.000 0.274 879 P C 0.096 177.269 177.300 -0.211 0.000 1.237 879 P CA -0.327 62.819 63.100 0.076 0.000 0.793 879 P CB 1.025 32.637 31.700 -0.147 0.000 0.977 880 A N 2.895 125.323 122.820 -0.653 0.000 2.067 880 A HA -0.057 4.271 4.320 0.014 0.000 0.219 880 A C 0.892 178.077 177.584 -0.665 0.000 1.158 880 A CA 1.156 52.782 52.037 -0.685 0.000 0.661 880 A CB -0.559 17.795 19.000 -1.077 0.000 0.801 880 A HN 0.737 nan 8.150 nan 0.000 0.452 881 R N -2.808 117.341 120.500 -0.585 0.000 2.765 881 R HA 0.664 5.013 4.340 0.014 0.000 0.277 881 R C -1.677 174.377 176.300 -0.410 0.000 1.028 881 R CA -0.784 54.983 56.100 -0.554 0.000 0.860 881 R CB 0.611 30.529 30.300 -0.638 0.000 1.270 881 R HN -0.018 nan 8.270 nan 0.000 0.484 882 I N 1.364 121.732 120.570 -0.336 0.000 2.521 882 I HA 0.626 4.805 4.170 0.014 0.000 0.277 882 I C -0.341 175.560 176.117 -0.361 0.000 1.054 882 I CA -0.338 60.808 61.300 -0.257 0.000 1.117 882 I CB 1.751 39.665 38.000 -0.144 0.000 1.217 882 I HN 0.934 nan 8.210 nan 0.000 0.469 883 G N 5.667 114.182 108.800 -0.476 0.000 2.815 883 G HA2 0.774 4.742 3.960 0.014 0.000 0.305 883 G HA3 0.774 4.742 3.960 0.014 0.000 0.305 883 G C -1.552 173.160 174.900 -0.313 0.000 1.277 883 G CA -0.587 44.261 45.100 -0.419 0.000 0.795 883 G HN 0.228 nan 8.290 nan 0.000 0.528 884 L N 0.970 122.061 121.223 -0.219 0.000 2.341 884 L HA 0.620 4.968 4.340 0.014 0.000 0.267 884 L C -0.774 175.978 176.870 -0.196 0.000 1.009 884 L CA -1.127 53.618 54.840 -0.158 0.000 0.819 884 L CB 2.363 44.408 42.059 -0.023 0.000 1.323 884 L HN 0.756 nan 8.230 nan 0.000 0.425 885 N N 1.076 119.687 118.700 -0.148 0.000 2.396 885 N HA 0.665 5.414 4.740 0.014 0.000 0.275 885 N C -1.239 174.269 175.510 -0.004 0.000 1.218 885 N CA -0.535 52.465 53.050 -0.084 0.000 0.812 885 N CB 2.334 40.780 38.487 -0.068 0.000 1.592 885 N HN 0.833 nan 8.380 nan 0.000 0.480 886 C N -0.393 118.926 119.300 0.032 0.000 3.306 886 C HA 0.628 5.097 4.460 0.014 0.000 0.335 886 C C -1.247 173.582 174.990 -0.267 0.000 1.382 886 C CA -0.804 58.187 59.018 -0.046 0.000 1.254 886 C CB 1.094 28.831 27.740 -0.005 0.000 1.555 886 C HN 0.858 nan 8.230 nan 0.000 0.463 887 Q N 1.352 120.776 119.800 -0.626 0.000 2.368 887 Q HA 0.672 5.020 4.340 0.014 0.000 0.263 887 Q C -1.257 174.449 176.000 -0.489 0.000 1.009 887 Q CA -0.442 54.756 55.803 -1.009 0.000 0.818 887 Q CB 0.946 28.612 28.738 -1.786 0.000 1.239 887 Q HN 0.771 nan 8.270 nan 0.000 0.464 888 L N 2.800 123.845 121.223 -0.297 0.000 2.371 888 L HA 0.340 4.689 4.340 0.014 0.000 0.272 888 L C 1.230 178.039 176.870 -0.103 0.000 1.124 888 L CA -0.232 54.549 54.840 -0.098 0.000 0.816 888 L CB 0.922 43.029 42.059 0.080 0.000 1.129 888 L HN 0.824 nan 8.230 nan 0.000 0.448 889 A N 1.809 124.589 122.820 -0.066 0.000 1.969 889 A HA -0.126 4.202 4.320 0.014 0.000 0.218 889 A C 1.216 178.784 177.584 -0.027 0.000 1.169 889 A CA 0.679 52.671 52.037 -0.076 0.000 0.635 889 A CB -0.319 18.633 19.000 -0.080 0.000 0.810 889 A HN 0.757 nan 8.150 nan 0.000 0.445 890 Q N 0.341 120.163 119.800 0.037 0.000 2.300 890 Q HA 0.342 4.691 4.340 0.014 0.000 0.280 890 Q C -1.097 174.949 176.000 0.075 0.000 1.033 890 Q CA 0.614 56.442 55.803 0.042 0.000 0.903 890 Q CB 0.534 29.342 28.738 0.116 0.000 1.195 890 Q HN 0.142 nan 8.270 nan 0.000 0.386 891 V N 4.174 124.088 119.914 -0.001 0.000 2.380 891 V HA 0.796 4.925 4.120 0.014 0.000 0.286 891 V C -0.479 175.579 176.094 -0.060 0.000 1.015 891 V CA -0.236 62.090 62.300 0.044 0.000 0.834 891 V CB 0.925 32.767 31.823 0.031 0.000 1.009 891 V HN 0.900 nan 8.190 nan 0.000 0.428 892 A N 3.219 125.951 122.820 -0.146 0.000 2.350 892 A HA 0.750 5.079 4.320 0.014 0.000 0.318 892 A C 0.656 178.247 177.584 0.013 0.000 1.132 892 A CA -0.507 51.395 52.037 -0.224 0.000 0.811 892 A CB 1.285 19.919 19.000 -0.610 0.000 1.313 892 A HN 0.776 nan 8.150 nan 0.000 0.454 893 E N 0.031 120.233 120.200 0.004 0.000 2.152 893 E HA -0.051 4.307 4.350 0.014 0.000 0.192 893 E C 0.193 176.865 176.600 0.121 0.000 0.983 893 E CA 0.815 57.253 56.400 0.063 0.000 0.818 893 E CB 0.120 29.840 29.700 0.032 0.000 0.758 893 E HN 0.435 nan 8.360 nan 0.000 0.467 894 R N 0.127 120.711 120.500 0.141 0.000 2.888 894 R HA 0.540 4.888 4.340 0.014 0.000 0.266 894 R C -0.880 175.611 176.300 0.318 0.000 1.020 894 R CA -0.862 55.355 56.100 0.195 0.000 0.963 894 R CB 1.776 32.159 30.300 0.139 0.000 1.197 894 R HN -0.173 nan 8.270 nan 0.000 0.481 895 V N 1.732 121.842 119.914 0.327 0.000 2.531 895 V HA 0.384 4.513 4.120 0.014 0.000 0.301 895 V C -0.320 176.050 176.094 0.460 0.000 1.034 895 V CA -0.927 61.610 62.300 0.395 0.000 0.865 895 V CB 1.955 33.961 31.823 0.305 0.000 0.995 895 V HN 0.670 nan 8.190 nan 0.000 0.424 896 N N 4.235 123.183 118.700 0.413 0.000 2.314 896 N HA 0.543 5.291 4.740 0.014 0.000 0.294 896 N C -1.436 174.334 175.510 0.433 0.000 1.029 896 N CA -0.431 52.823 53.050 0.341 0.000 0.845 896 N CB 2.756 41.340 38.487 0.160 0.000 1.321 896 N HN 0.817 nan 8.380 nan 0.000 0.481 897 W N 3.142 124.485 121.300 0.072 0.000 3.118 897 W HA 0.574 5.242 4.660 0.014 0.000 0.328 897 W C -2.005 174.481 176.519 -0.056 0.000 1.239 897 W CA -1.127 56.232 57.345 0.023 0.000 1.176 897 W CB 0.673 30.167 29.460 0.057 0.000 1.433 897 W HN 0.226 nan 8.180 nan 0.000 0.562 898 L N 4.250 125.433 121.223 -0.067 0.000 2.283 898 L HA 0.901 5.250 4.340 0.014 0.000 0.281 898 L C 0.032 176.751 176.870 -0.252 0.000 1.033 898 L CA 0.449 55.084 54.840 -0.341 0.000 0.848 898 L CB 0.468 42.419 42.059 -0.179 0.000 1.226 898 L HN 1.006 nan 8.230 nan 0.000 0.429 899 G N 3.736 112.222 108.800 -0.525 0.000 2.356 899 G HA2 0.201 4.169 3.960 0.014 0.000 0.281 899 G HA3 0.201 4.169 3.960 0.014 0.000 0.281 899 G C -1.665 173.247 174.900 0.020 0.000 1.246 899 G CA -1.022 44.014 45.100 -0.107 0.000 0.889 899 G HN 0.431 nan 8.290 nan 0.000 0.486 900 L N 1.053 122.436 121.223 0.266 0.000 2.349 900 L HA 0.653 5.002 4.340 0.014 0.000 0.275 900 L C 1.024 178.036 176.870 0.236 0.000 1.115 900 L CA 0.563 55.535 54.840 0.219 0.000 0.820 900 L CB 0.827 42.959 42.059 0.121 0.000 1.135 900 L HN 1.147 nan 8.230 nan 0.000 0.445 901 G N 2.656 111.407 108.800 -0.082 0.000 2.490 901 G HA2 0.322 4.290 3.960 0.014 0.000 0.308 901 G HA3 0.322 4.290 3.960 0.014 0.000 0.308 901 G C -2.773 171.319 174.900 -1.347 0.000 1.286 901 G CA -0.283 44.380 45.100 -0.729 0.000 0.825 901 G HN 0.314 nan 8.290 nan 0.000 0.479 902 P HA 0.110 nan 4.420 nan 0.000 0.239 902 P C 0.392 177.494 177.300 -0.331 0.000 1.188 902 P CA 0.486 62.945 63.100 -1.068 0.000 0.794 902 P CB 0.583 31.746 31.700 -0.895 0.000 0.937 903 Q N 0.484 120.087 119.800 -0.327 0.000 2.316 903 Q HA 0.173 4.521 4.340 0.014 0.000 0.215 903 Q C 0.375 176.258 176.000 -0.195 0.000 1.020 903 Q CA -0.664 55.021 55.803 -0.197 0.000 0.970 903 Q CB 0.641 29.285 28.738 -0.157 0.000 1.187 903 Q HN 0.109 nan 8.270 nan 0.000 0.546 904 E N 1.207 121.299 120.200 -0.180 0.000 2.465 904 E HA -0.079 4.280 4.350 0.014 0.000 0.260 904 E C -1.175 175.342 176.600 -0.138 0.000 0.980 904 E CA 0.200 56.482 56.400 -0.196 0.000 0.927 904 E CB 0.243 29.896 29.700 -0.078 0.000 0.934 904 E HN 0.584 nan 8.360 nan 0.000 0.459 905 N N 2.748 121.294 118.700 -0.255 0.000 2.308 905 N HA 0.296 5.044 4.740 0.014 0.000 0.283 905 N C -1.850 173.429 175.510 -0.385 0.000 1.105 905 N CA -0.683 52.270 53.050 -0.161 0.000 0.840 905 N CB 0.707 39.118 38.487 -0.126 0.000 1.633 905 N HN 0.216 nan 8.380 nan 0.000 0.476 906 Y N 0.286 120.480 120.300 -0.177 0.000 2.587 906 Y HA 0.494 5.053 4.550 0.014 0.000 0.337 906 Y C -1.564 174.241 175.900 -0.157 0.000 1.065 906 Y CA -2.071 55.907 58.100 -0.203 0.000 1.126 906 Y CB 1.755 40.087 38.460 -0.214 0.000 1.279 906 Y HN 0.452 nan 8.280 nan 0.000 0.489 907 P HA -0.196 nan 4.420 nan 0.000 0.216 907 P C 0.361 177.505 177.300 -0.261 0.000 1.154 907 P CA 2.153 65.260 63.100 0.011 0.000 0.865 907 P CB 0.187 32.002 31.700 0.192 0.000 0.789 908 D N -2.409 117.612 120.400 -0.631 0.000 2.340 908 D HA 0.002 4.650 4.640 0.014 0.000 0.217 908 D C 0.752 176.886 176.300 -0.277 0.000 1.081 908 D CA 0.111 53.536 54.000 -0.959 0.000 0.842 908 D CB -0.297 39.691 40.800 -1.353 0.000 0.934 908 D HN 0.134 nan 8.370 nan 0.000 0.511 909 R N 1.147 121.584 120.500 -0.105 0.000 2.684 909 R HA 0.202 4.550 4.340 0.014 0.000 0.252 909 R C -0.715 175.612 176.300 0.044 0.000 1.628 909 R CA -0.190 55.920 56.100 0.017 0.000 1.622 909 R CB 0.017 30.334 30.300 0.028 0.000 1.418 909 R HN 0.108 nan 8.270 nan 0.000 0.697 910 L N -1.456 119.802 121.223 0.057 0.000 3.410 910 L HA 0.345 4.693 4.340 0.014 0.000 0.309 910 L C 1.290 178.214 176.870 0.089 0.000 1.254 910 L CA 0.047 54.918 54.840 0.053 0.000 1.048 910 L CB 0.237 42.315 42.059 0.032 0.000 1.442 910 L HN 0.096 nan 8.230 nan 0.000 0.615 911 T N -2.671 111.963 114.554 0.134 0.000 2.867 911 T HA 0.006 4.365 4.350 0.014 0.000 0.268 911 T C 1.742 176.470 174.700 0.047 0.000 1.057 911 T CA 1.314 63.514 62.100 0.166 0.000 1.136 911 T CB -0.271 68.756 68.868 0.265 0.000 0.874 911 T HN 0.392 nan 8.240 nan 0.000 0.466 912 A N 1.454 124.302 122.820 0.046 0.000 2.123 912 A HA 0.679 5.008 4.320 0.014 0.000 0.214 912 A C 1.600 179.257 177.584 0.122 0.000 1.152 912 A CA 0.434 52.439 52.037 -0.054 0.000 0.728 912 A CB -0.835 18.289 19.000 0.207 0.000 0.814 912 A HN 0.821 nan 8.150 nan 0.000 0.464 913 A N -1.068 121.779 122.820 0.045 0.000 2.386 913 A HA 0.455 4.784 4.320 0.014 0.000 0.248 913 A C -0.024 177.589 177.584 0.049 0.000 1.082 913 A CA -0.071 51.961 52.037 -0.009 0.000 0.789 913 A CB -0.069 18.908 19.000 -0.038 0.000 1.025 913 A HN 0.466 nan 8.150 nan 0.000 0.490 914 C N 0.593 119.923 119.300 0.051 0.000 2.456 914 C HA 0.536 5.005 4.460 0.014 0.000 0.325 914 C C -0.153 174.948 174.990 0.185 0.000 1.217 914 C CA -0.470 58.636 59.018 0.146 0.000 1.687 914 C CB 0.638 28.490 27.740 0.187 0.000 2.270 914 C HN 0.775 nan 8.230 nan 0.000 0.499 915 F N 4.046 123.840 119.950 -0.259 0.000 2.445 915 F HA 0.477 5.013 4.527 0.014 0.000 0.359 915 F C 0.389 175.831 175.800 -0.597 0.000 1.101 915 F CA 1.148 58.825 58.000 -0.537 0.000 1.177 915 F CB -0.020 38.074 39.000 -1.511 0.000 1.110 915 F HN 0.638 nan 8.300 nan 0.000 0.522 916 D N 3.538 123.192 120.400 -1.243 0.000 2.879 916 D HA 0.155 4.803 4.640 0.014 0.000 0.346 916 D C -1.550 173.826 176.300 -1.539 0.000 1.390 916 D CA -0.763 52.456 54.000 -1.301 0.000 0.838 916 D CB 1.530 41.540 40.800 -1.316 0.000 1.416 916 D HN 0.525 nan 8.370 nan 0.000 0.493 917 R N 0.875 120.611 120.500 -1.274 0.000 2.205 917 R HA 0.437 4.786 4.340 0.014 0.000 0.342 917 R C -1.155 174.470 176.300 -1.124 0.000 1.058 917 R CA -0.333 55.170 56.100 -0.996 0.000 0.904 917 R CB 0.233 30.195 30.300 -0.564 0.000 1.089 917 R HN 0.230 nan 8.270 nan 0.000 0.471 918 W N 2.601 123.361 121.300 -0.900 0.000 2.578 918 W HA 0.395 5.063 4.660 0.014 0.000 0.353 918 W C -0.315 175.779 176.519 -0.709 0.000 1.088 918 W CA -0.614 56.162 57.345 -0.948 0.000 1.235 918 W CB 1.544 29.990 29.460 -1.690 0.000 1.362 918 W HN 0.367 nan 8.180 nan 0.000 0.592 919 D N 2.365 122.707 120.400 -0.097 0.000 2.613 919 D HA 0.393 5.041 4.640 0.014 0.000 0.230 919 D C -1.502 174.887 176.300 0.148 0.000 1.365 919 D CA -0.138 53.899 54.000 0.060 0.000 0.976 919 D CB 0.966 41.775 40.800 0.015 0.000 1.415 919 D HN 0.362 nan 8.370 nan 0.000 0.589 920 L N 2.780 124.168 121.223 0.275 0.000 2.303 920 L HA 0.605 4.953 4.340 0.014 0.000 0.256 920 L C -2.286 174.701 176.870 0.196 0.000 1.034 920 L CA -2.189 52.782 54.840 0.218 0.000 0.832 920 L CB 2.650 44.872 42.059 0.273 0.000 1.403 920 L HN 0.186 nan 8.230 nan 0.000 0.419 921 P HA 0.050 nan 4.420 nan 0.000 0.275 921 P C 0.564 177.941 177.300 0.129 0.000 1.227 921 P CA -0.355 62.817 63.100 0.121 0.000 0.781 921 P CB 1.075 32.825 31.700 0.085 0.000 0.906 922 L N 3.837 125.142 121.223 0.137 0.000 2.051 922 L HA -0.293 4.056 4.340 0.014 0.000 0.214 922 L C 2.279 179.193 176.870 0.073 0.000 1.076 922 L CA 2.890 57.798 54.840 0.113 0.000 0.758 922 L CB -1.462 40.677 42.059 0.133 0.000 0.890 922 L HN 0.460 nan 8.230 nan 0.000 0.433 923 S N -2.062 113.684 115.700 0.076 0.000 2.419 923 S HA -0.158 4.321 4.470 0.014 0.000 0.233 923 S C 1.589 176.257 174.600 0.114 0.000 1.016 923 S CA 1.050 59.308 58.200 0.098 0.000 0.974 923 S CB -0.727 62.526 63.200 0.089 0.000 0.786 923 S HN 0.516 nan 8.310 nan 0.000 0.492 924 D N 1.100 121.546 120.400 0.076 0.000 2.371 924 D HA 0.105 4.753 4.640 0.014 0.000 0.221 924 D C 1.118 177.422 176.300 0.007 0.000 0.986 924 D CA 0.580 54.604 54.000 0.041 0.000 0.899 924 D CB -0.116 40.714 40.800 0.050 0.000 0.902 924 D HN 0.374 nan 8.370 nan 0.000 0.530 925 M N -0.477 119.134 119.600 0.017 0.000 2.494 925 M HA 0.076 4.565 4.480 0.014 0.000 0.232 925 M C -0.106 176.188 176.300 -0.009 0.000 1.137 925 M CA -0.090 55.172 55.300 -0.063 0.000 1.012 925 M CB -0.767 31.779 32.600 -0.091 0.000 1.567 925 M HN -0.055 nan 8.290 nan 0.000 0.486 926 Y N 0.116 120.371 120.300 -0.076 0.000 2.364 926 Y HA 0.516 5.075 4.550 0.014 0.000 0.340 926 Y C -0.756 175.100 175.900 -0.073 0.000 0.975 926 Y CA -0.949 57.128 58.100 -0.038 0.000 1.089 926 Y CB 1.303 39.796 38.460 0.054 0.000 1.192 926 Y HN -0.124 nan 8.280 nan 0.000 0.454 927 T N 9.073 123.175 114.554 -0.753 0.000 2.756 927 T HA 0.291 4.650 4.350 0.014 0.000 0.290 927 T C -2.716 171.215 174.700 -1.281 0.000 0.985 927 T CA -1.512 60.062 62.100 -0.875 0.000 0.955 927 T CB 1.145 69.573 68.868 -0.734 0.000 0.930 927 T HN 0.456 nan 8.240 nan 0.000 0.451 928 P HA 0.125 nan 4.420 nan 0.000 0.226 928 P C -0.642 176.526 177.300 -0.221 0.000 1.783 928 P CA -0.403 62.292 63.100 -0.675 0.000 0.980 928 P CB -0.668 30.808 31.700 -0.375 0.000 1.967 929 Y N -0.169 120.065 120.300 -0.111 0.000 2.597 929 Y HA -0.100 4.459 4.550 0.014 0.000 0.336 929 Y C 2.306 178.259 175.900 0.087 0.000 1.216 929 Y CA -0.429 57.664 58.100 -0.011 0.000 1.463 929 Y CB 0.549 38.920 38.460 -0.148 0.000 1.303 929 Y HN -0.070 nan 8.280 nan 0.000 0.576 930 V N 3.103 123.236 119.914 0.366 0.000 2.332 930 V HA -0.308 3.820 4.120 0.014 0.000 0.248 930 V C 0.521 176.775 176.094 0.268 0.000 1.055 930 V CA 1.449 63.940 62.300 0.317 0.000 1.038 930 V CB -0.561 31.476 31.823 0.356 0.000 0.651 930 V HN 0.577 nan 8.190 nan 0.000 0.450 931 F N 3.145 123.118 119.950 0.038 0.000 2.371 931 F HA 0.520 5.056 4.527 0.014 0.000 0.363 931 F C -2.509 173.287 175.800 -0.006 0.000 1.122 931 F CA -3.538 54.430 58.000 -0.053 0.000 1.129 931 F CB 0.753 39.604 39.000 -0.249 0.000 1.173 931 F HN -0.009 nan 8.300 nan 0.000 0.489 932 P HA 0.301 nan 4.420 nan 0.000 0.271 932 P C -1.114 175.841 177.300 -0.575 0.000 1.218 932 P CA -0.015 62.831 63.100 -0.424 0.000 0.780 932 P CB 1.307 32.809 31.700 -0.331 0.000 0.901 933 S N -0.270 115.293 115.700 -0.228 0.000 2.703 933 S HA 0.457 4.935 4.470 0.014 0.000 0.273 933 S C -0.810 173.761 174.600 -0.049 0.000 1.178 933 S CA -0.955 57.149 58.200 -0.160 0.000 0.838 933 S CB 0.403 63.533 63.200 -0.116 0.000 1.178 933 S HN 0.349 nan 8.310 nan 0.000 0.494 934 E N 1.157 121.343 120.200 -0.025 0.000 2.534 934 E HA 0.340 4.699 4.350 0.014 0.000 0.264 934 E C -0.207 176.425 176.600 0.053 0.000 0.981 934 E CA 0.827 57.242 56.400 0.024 0.000 0.948 934 E CB -0.183 29.555 29.700 0.064 0.000 0.934 934 E HN 0.816 nan 8.360 nan 0.000 0.459 935 N N 1.321 120.095 118.700 0.123 0.000 2.961 935 N HA 0.473 5.222 4.740 0.014 0.000 0.245 935 N C 0.169 175.737 175.510 0.096 0.000 1.404 935 N CA -0.505 52.659 53.050 0.190 0.000 0.880 935 N CB 0.952 39.557 38.487 0.196 0.000 1.461 935 N HN 0.782 nan 8.380 nan 0.000 0.510 936 G N -1.291 107.531 108.800 0.036 0.000 2.184 936 G HA2 -0.263 3.706 3.960 0.014 0.000 0.264 936 G HA3 -0.263 3.706 3.960 0.014 0.000 0.264 936 G C -0.197 174.444 174.900 -0.432 0.000 0.975 936 G CA 0.366 45.359 45.100 -0.178 0.000 0.642 936 G HN 0.737 nan 8.290 nan 0.000 0.536 937 L N 0.206 121.108 121.223 -0.534 0.000 2.506 937 L HA 0.599 4.947 4.340 0.014 0.000 0.281 937 L C 0.687 176.973 176.870 -0.974 0.000 1.228 937 L CA 0.585 54.858 54.840 -0.945 0.000 0.850 937 L CB 0.479 41.592 42.059 -1.577 0.000 1.110 937 L HN 0.273 nan 8.230 nan 0.000 0.496 938 R N 2.654 122.491 120.500 -1.105 0.000 2.476 938 R HA 0.474 4.822 4.340 0.014 0.000 0.305 938 R C -0.876 175.072 176.300 -0.586 0.000 0.965 938 R CA -0.283 55.294 56.100 -0.872 0.000 0.867 938 R CB 1.311 30.966 30.300 -1.075 0.000 1.176 938 R HN 0.697 nan 8.270 nan 0.000 0.447 939 C N 0.499 119.598 119.300 -0.335 0.000 2.352 939 C HA 0.679 5.147 4.460 0.014 0.000 0.387 939 C C 1.274 176.239 174.990 -0.042 0.000 1.294 939 C CA -0.111 58.795 59.018 -0.185 0.000 2.137 939 C CB 1.171 28.824 27.740 -0.144 0.000 2.146 939 C HN 1.027 nan 8.230 nan 0.000 0.559 940 G N 2.012 110.803 108.800 -0.015 0.000 2.412 940 G HA2 -0.176 3.793 3.960 0.014 0.000 0.297 940 G HA3 -0.176 3.793 3.960 0.014 0.000 0.297 940 G C -0.081 174.873 174.900 0.090 0.000 0.965 940 G CA 0.580 45.716 45.100 0.061 0.000 1.134 940 G HN 0.806 nan 8.290 nan 0.000 0.511 941 T N 0.079 114.555 114.554 -0.129 0.000 2.837 941 T HA 0.553 4.911 4.350 0.014 0.000 0.285 941 T C 1.276 175.694 174.700 -0.470 0.000 0.984 941 T CA -0.722 61.247 62.100 -0.219 0.000 1.049 941 T CB 1.462 70.185 68.868 -0.241 0.000 0.947 941 T HN 0.284 nan 8.240 nan 0.000 0.472 942 R N 1.359 121.782 120.500 -0.129 0.000 2.335 942 R HA 0.300 4.649 4.340 0.014 0.000 0.210 942 R C 0.362 176.697 176.300 0.058 0.000 0.892 942 R CA 0.074 56.156 56.100 -0.030 0.000 1.048 942 R CB 0.608 31.006 30.300 0.164 0.000 1.067 942 R HN 0.700 nan 8.270 nan 0.000 0.524 943 E N 0.791 121.021 120.200 0.051 0.000 2.343 943 E HA 0.296 4.654 4.350 0.014 0.000 0.286 943 E C -1.923 174.807 176.600 0.217 0.000 0.915 943 E CA -0.613 55.896 56.400 0.183 0.000 0.784 943 E CB 1.468 31.247 29.700 0.132 0.000 1.251 943 E HN -0.070 nan 8.360 nan 0.000 0.407 944 L N 4.128 125.541 121.223 0.317 0.000 2.386 944 L HA 0.629 4.978 4.340 0.014 0.000 0.271 944 L C -1.804 175.254 176.870 0.312 0.000 0.993 944 L CA -0.390 54.580 54.840 0.216 0.000 0.819 944 L CB 1.805 43.855 42.059 -0.015 0.000 1.294 944 L HN 0.489 nan 8.230 nan 0.000 0.414 945 N N 4.314 123.176 118.700 0.269 0.000 2.346 945 N HA 0.396 5.144 4.740 0.014 0.000 0.289 945 N C -2.051 173.676 175.510 0.362 0.000 1.027 945 N CA -0.283 52.915 53.050 0.247 0.000 0.864 945 N CB 2.320 40.897 38.487 0.150 0.000 1.370 945 N HN 0.612 nan 8.380 nan 0.000 0.481 946 Y N 1.168 121.593 120.300 0.208 0.000 2.362 946 Y HA 0.413 4.971 4.550 0.014 0.000 0.326 946 Y C 0.665 176.664 175.900 0.165 0.000 1.083 946 Y CA 0.167 58.398 58.100 0.217 0.000 1.073 946 Y CB 0.744 39.397 38.460 0.321 0.000 1.211 946 Y HN 0.858 nan 8.280 nan 0.000 0.433 947 G N 6.531 115.172 108.800 -0.266 0.000 2.622 947 G HA2 -0.310 3.659 3.960 0.014 0.000 0.307 947 G HA3 -0.310 3.659 3.960 0.014 0.000 0.307 947 G C -1.742 173.049 174.900 -0.182 0.000 1.226 947 G CA 0.238 45.167 45.100 -0.285 0.000 0.997 947 G HN 0.603 nan 8.290 nan 0.000 0.551 948 P HA 0.167 nan 4.420 nan 0.000 0.251 948 P C 0.266 177.343 177.300 -0.373 0.000 1.223 948 P CA 0.632 63.541 63.100 -0.320 0.000 0.796 948 P CB 0.054 31.512 31.700 -0.403 0.000 1.068 949 H N 0.476 119.475 119.070 -0.117 0.000 2.511 949 H HA 0.430 4.995 4.556 0.014 0.000 0.346 949 H C -0.074 174.954 175.328 -0.500 0.000 1.128 949 H CA 0.148 55.999 56.048 -0.329 0.000 1.342 949 H CB 1.411 30.772 29.762 -0.668 0.000 1.470 949 H HN 0.091 nan 8.280 nan 0.000 0.546 950 Q N 2.406 121.907 119.800 -0.497 0.000 2.285 950 Q HA 0.228 4.576 4.340 0.014 0.000 0.269 950 Q C -1.539 174.121 176.000 -0.566 0.000 1.030 950 Q CA -0.693 54.892 55.803 -0.363 0.000 0.788 950 Q CB 1.964 30.656 28.738 -0.077 0.000 1.266 950 Q HN 0.579 nan 8.270 nan 0.000 0.438 951 W N 4.137 125.387 121.300 -0.083 0.000 2.532 951 W HA 0.558 5.227 4.660 0.014 0.000 0.321 951 W C -0.188 176.414 176.519 0.138 0.000 1.037 951 W CA -0.728 56.542 57.345 -0.124 0.000 1.220 951 W CB 1.710 30.902 29.460 -0.447 0.000 1.361 951 W HN 0.471 nan 8.180 nan 0.000 0.468 952 R N 0.943 121.674 120.500 0.385 0.000 2.740 952 R HA 0.807 5.155 4.340 0.014 0.000 0.282 952 R C 0.262 176.842 176.300 0.467 0.000 0.969 952 R CA -0.448 55.887 56.100 0.393 0.000 0.918 952 R CB 2.312 32.757 30.300 0.242 0.000 1.175 952 R HN 0.748 nan 8.270 nan 0.000 0.464 953 G N 0.731 109.801 108.800 0.450 0.000 2.513 953 G HA2 -0.003 3.966 3.960 0.014 0.000 0.182 953 G HA3 -0.003 3.966 3.960 0.014 0.000 0.182 953 G C -1.797 173.258 174.900 0.259 0.000 1.190 953 G CA -0.423 44.922 45.100 0.410 0.000 0.987 953 G HN 0.495 nan 8.290 nan 0.000 0.479 954 D N 0.046 120.611 120.400 0.275 0.000 2.381 954 D HA 0.595 5.243 4.640 0.014 0.000 0.245 954 D C -0.636 175.711 176.300 0.078 0.000 1.297 954 D CA -0.460 53.580 54.000 0.066 0.000 0.931 954 D CB 0.136 40.994 40.800 0.097 0.000 1.334 954 D HN 0.573 nan 8.370 nan 0.000 0.535 955 F N -0.287 119.659 119.950 -0.006 0.000 2.824 955 F HA 0.723 5.258 4.527 0.014 0.000 0.330 955 F C -1.048 174.709 175.800 -0.072 0.000 1.175 955 F CA -1.034 56.900 58.000 -0.110 0.000 0.974 955 F CB 0.740 39.674 39.000 -0.110 0.000 1.430 955 F HN -0.166 nan 8.300 nan 0.000 0.507 956 Q N 1.491 121.399 119.800 0.180 0.000 2.348 956 Q HA 0.649 4.997 4.340 0.014 0.000 0.271 956 Q C -1.279 174.825 176.000 0.174 0.000 1.067 956 Q CA -0.529 55.292 55.803 0.029 0.000 0.839 956 Q CB 2.711 31.351 28.738 -0.163 0.000 1.354 956 Q HN 0.861 nan 8.270 nan 0.000 0.447 957 F N -1.114 118.732 119.950 -0.174 0.000 2.686 957 F HA 0.730 5.265 4.527 0.014 0.000 0.311 957 F C -1.613 173.970 175.800 -0.362 0.000 1.128 957 F CA -1.112 56.737 58.000 -0.252 0.000 0.946 957 F CB 1.576 40.450 39.000 -0.210 0.000 1.336 957 F HN 0.543 nan 8.300 nan 0.000 0.457 958 N N 1.926 120.460 118.700 -0.278 0.000 2.242 958 N HA 0.697 5.446 4.740 0.014 0.000 0.292 958 N C -2.124 173.323 175.510 -0.105 0.000 1.125 958 N CA -0.714 52.144 53.050 -0.320 0.000 0.783 958 N CB 2.556 40.863 38.487 -0.299 0.000 1.558 958 N HN 1.121 nan 8.380 nan 0.000 0.472 959 I N 0.802 121.302 120.570 -0.117 0.000 2.610 959 I HA 0.668 4.847 4.170 0.014 0.000 0.289 959 I C -1.358 174.668 176.117 -0.150 0.000 1.163 959 I CA 0.009 61.214 61.300 -0.158 0.000 1.044 959 I CB 1.306 39.158 38.000 -0.246 0.000 1.251 959 I HN 1.034 nan 8.210 nan 0.000 0.424 960 S N 6.464 122.081 115.700 -0.138 0.000 2.655 960 S HA 0.504 4.983 4.470 0.014 0.000 0.266 960 S C -0.208 174.265 174.600 -0.211 0.000 1.149 960 S CA -0.949 57.150 58.200 -0.168 0.000 0.818 960 S CB 1.690 64.833 63.200 -0.094 0.000 1.130 960 S HN 0.637 nan 8.310 nan 0.000 0.476 961 R N -0.086 120.116 120.500 -0.496 0.000 2.335 961 R HA 0.254 4.603 4.340 0.014 0.000 0.223 961 R C -0.848 175.049 176.300 -0.672 0.000 0.940 961 R CA 0.305 56.078 56.100 -0.545 0.000 1.086 961 R CB -0.956 28.939 30.300 -0.674 0.000 1.073 961 R HN 0.659 nan 8.270 nan 0.000 0.504 962 Y N 0.273 120.525 120.300 -0.080 0.000 2.350 962 Y HA 0.192 4.751 4.550 0.014 0.000 0.338 962 Y C 0.708 176.399 175.900 -0.348 0.000 0.961 962 Y CA -1.140 56.836 58.100 -0.207 0.000 1.100 962 Y CB 1.492 39.787 38.460 -0.275 0.000 1.179 962 Y HN -0.089 nan 8.280 nan 0.000 0.454 963 S N 1.734 117.126 115.700 -0.513 0.000 2.593 963 S HA 0.029 4.507 4.470 0.014 0.000 0.269 963 S C 0.917 175.175 174.600 -0.569 0.000 1.334 963 S CA -0.724 56.786 58.200 -1.149 0.000 1.015 963 S CB 1.140 63.475 63.200 -1.441 0.000 0.912 963 S HN 0.745 nan 8.310 nan 0.000 0.541 964 Q N 0.767 120.233 119.800 -0.557 0.000 2.135 964 Q HA -0.217 4.132 4.340 0.014 0.000 0.204 964 Q C 2.205 178.058 176.000 -0.244 0.000 0.981 964 Q CA 1.929 57.551 55.803 -0.302 0.000 0.856 964 Q CB -0.501 28.092 28.738 -0.240 0.000 0.902 964 Q HN 0.967 nan 8.270 nan 0.000 0.425 965 Q N 0.609 120.229 119.800 -0.301 0.000 2.079 965 Q HA -0.209 4.140 4.340 0.014 0.000 0.200 965 Q C 2.072 177.977 176.000 -0.157 0.000 0.974 965 Q CA 1.429 57.123 55.803 -0.181 0.000 0.840 965 Q CB 0.020 28.660 28.738 -0.164 0.000 0.898 965 Q HN 0.425 nan 8.270 nan 0.000 0.430 966 Q N 0.107 119.784 119.800 -0.205 0.000 2.079 966 Q HA -0.141 4.207 4.340 0.014 0.000 0.200 966 Q C 2.249 178.145 176.000 -0.173 0.000 0.974 966 Q CA 1.080 56.787 55.803 -0.160 0.000 0.840 966 Q CB -0.045 28.579 28.738 -0.190 0.000 0.898 966 Q HN 0.472 nan 8.270 nan 0.000 0.430 967 L N 0.058 121.168 121.223 -0.190 0.000 2.042 967 L HA -0.234 4.115 4.340 0.014 0.000 0.210 967 L C 2.656 179.402 176.870 -0.206 0.000 1.076 967 L CA 1.235 55.956 54.840 -0.199 0.000 0.749 967 L CB -0.314 41.656 42.059 -0.148 0.000 0.893 967 L HN 0.410 nan 8.230 nan 0.000 0.432 968 M N -0.652 118.860 119.600 -0.147 0.000 2.132 968 M HA -0.209 4.279 4.480 0.014 0.000 0.263 968 M C 1.931 178.176 176.300 -0.093 0.000 1.065 968 M CA 1.730 56.964 55.300 -0.110 0.000 1.122 968 M CB 0.037 32.586 32.600 -0.083 0.000 1.365 968 M HN 0.187 nan 8.290 nan 0.000 0.411 969 E N -0.995 119.152 120.200 -0.088 0.000 2.435 969 E HA -0.003 4.356 4.350 0.014 0.000 0.195 969 E C -0.210 176.362 176.600 -0.047 0.000 1.029 969 E CA 0.343 56.712 56.400 -0.052 0.000 0.865 969 E CB 0.291 29.967 29.700 -0.041 0.000 0.833 969 E HN 0.338 nan 8.360 nan 0.000 0.510 970 T N 0.277 114.771 114.554 -0.098 0.000 2.771 970 T HA 0.106 4.465 4.350 0.014 0.000 0.281 970 T C 0.934 175.571 174.700 -0.104 0.000 0.982 970 T CA -0.440 61.602 62.100 -0.096 0.000 0.978 970 T CB 1.647 70.424 68.868 -0.152 0.000 0.930 970 T HN 0.012 nan 8.240 nan 0.000 0.447 971 S N 1.880 117.625 115.700 0.075 0.000 2.524 971 S HA 0.130 4.609 4.470 0.014 0.000 0.216 971 S C 0.221 174.990 174.600 0.281 0.000 0.987 971 S CA 0.098 58.448 58.200 0.250 0.000 0.909 971 S CB -0.152 63.336 63.200 0.481 0.000 0.781 971 S HN 0.723 nan 8.310 nan 0.000 0.521 972 H N 0.584 119.696 119.070 0.071 0.000 2.806 972 H HA 0.492 5.057 4.556 0.014 0.000 0.367 972 H C 0.910 176.245 175.328 0.010 0.000 1.136 972 H CA -0.783 55.365 56.048 0.166 0.000 1.178 972 H CB 1.529 31.389 29.762 0.164 0.000 1.718 972 H HN 0.109 nan 8.280 nan 0.000 0.540 973 R N 1.694 122.337 120.500 0.238 0.000 2.120 973 R HA -0.152 4.197 4.340 0.014 0.000 0.234 973 R C 1.105 177.442 176.300 0.062 0.000 1.123 973 R CA 1.801 57.966 56.100 0.108 0.000 0.975 973 R CB -0.378 30.019 30.300 0.162 0.000 0.866 973 R HN 0.760 nan 8.270 nan 0.000 0.446 974 H N 0.978 120.081 119.070 0.054 0.000 2.546 974 H HA 0.059 4.623 4.556 0.014 0.000 0.277 974 H C 1.400 176.662 175.328 -0.110 0.000 1.004 974 H CA 0.577 56.612 56.048 -0.022 0.000 1.231 974 H CB -0.111 29.651 29.762 -0.001 0.000 1.382 974 H HN 0.297 nan 8.280 nan 0.000 0.580 975 L N 1.045 121.827 121.223 -0.735 0.000 2.592 975 L HA 0.216 4.564 4.340 0.014 0.000 0.227 975 L C 0.529 177.256 176.870 -0.238 0.000 1.127 975 L CA -0.159 54.358 54.840 -0.540 0.000 0.884 975 L CB 0.065 41.788 42.059 -0.560 0.000 1.065 975 L HN 0.054 nan 8.230 nan 0.000 0.457 976 L N 0.745 121.831 121.223 -0.228 0.000 2.436 976 L HA 0.161 4.509 4.340 0.014 0.000 0.265 976 L C 0.174 177.018 176.870 -0.044 0.000 1.168 976 L CA -0.154 54.530 54.840 -0.260 0.000 0.815 976 L CB 0.405 42.034 42.059 -0.717 0.000 1.109 976 L HN 0.187 nan 8.230 nan 0.000 0.462 977 H N 1.464 120.526 119.070 -0.015 0.000 2.667 977 H HA 0.590 5.155 4.556 0.014 0.000 0.353 977 H C -0.904 174.576 175.328 0.254 0.000 1.072 977 H CA -1.227 54.880 56.048 0.098 0.000 1.214 977 H CB 1.225 31.000 29.762 0.023 0.000 1.600 977 H HN 0.663 nan 8.280 nan 0.000 0.527 978 A N 3.678 126.603 122.820 0.174 0.000 2.477 978 A HA 0.138 4.466 4.320 0.014 0.000 0.246 978 A C 0.391 177.965 177.584 -0.018 0.000 1.078 978 A CA -0.267 51.733 52.037 -0.062 0.000 0.770 978 A CB 0.040 18.975 19.000 -0.108 0.000 1.011 978 A HN 0.836 nan 8.150 nan 0.000 0.494 979 E N 1.057 121.217 120.200 -0.066 0.000 2.314 979 E HA 0.161 4.519 4.350 0.014 0.000 0.262 979 E C -0.155 176.452 176.600 0.013 0.000 1.093 979 E CA -0.599 55.829 56.400 0.047 0.000 0.908 979 E CB 0.762 30.572 29.700 0.182 0.000 1.091 979 E HN 0.775 nan 8.360 nan 0.000 0.425 980 E N 0.378 120.591 120.200 0.022 0.000 2.452 980 E HA 0.127 4.485 4.350 0.014 0.000 0.261 980 E C 0.265 176.808 176.600 -0.096 0.000 0.987 980 E CA 0.757 57.140 56.400 -0.029 0.000 0.926 980 E CB 0.337 30.021 29.700 -0.025 0.000 0.934 980 E HN 0.691 nan 8.360 nan 0.000 0.452 981 G N 2.727 111.476 108.800 -0.085 0.000 2.741 981 G HA2 -0.216 3.752 3.960 0.014 0.000 0.222 981 G HA3 -0.216 3.752 3.960 0.014 0.000 0.222 981 G C -0.616 174.206 174.900 -0.129 0.000 1.364 981 G CA -0.303 44.725 45.100 -0.120 0.000 0.866 981 G HN 0.567 nan 8.290 nan 0.000 0.555 982 T N 0.258 114.726 114.554 -0.144 0.000 2.848 982 T HA 0.527 4.885 4.350 0.014 0.000 0.285 982 T C -0.678 173.896 174.700 -0.210 0.000 0.995 982 T CA -0.157 61.871 62.100 -0.119 0.000 0.970 982 T CB 1.339 70.205 68.868 -0.002 0.000 0.976 982 T HN 0.564 nan 8.240 nan 0.000 0.441 983 W N 2.983 124.178 121.300 -0.175 0.000 2.338 983 W HA 0.608 5.277 4.660 0.014 0.000 0.307 983 W C -0.312 176.066 176.519 -0.235 0.000 1.167 983 W CA -0.741 56.499 57.345 -0.176 0.000 1.208 983 W CB 0.805 30.172 29.460 -0.155 0.000 1.228 983 W HN 0.363 nan 8.180 nan 0.000 0.499 984 L N 5.599 126.817 121.223 -0.009 0.000 2.325 984 L HA 0.477 4.825 4.340 0.014 0.000 0.281 984 L C -0.880 175.886 176.870 -0.174 0.000 1.004 984 L CA -0.415 54.294 54.840 -0.218 0.000 0.823 984 L CB 0.714 42.485 42.059 -0.480 0.000 1.236 984 L HN 0.329 nan 8.230 nan 0.000 0.415 985 N N 7.102 125.688 118.700 -0.190 0.000 2.518 985 N HA 0.412 5.161 4.740 0.014 0.000 0.254 985 N C -1.129 174.229 175.510 -0.252 0.000 0.979 985 N CA -0.279 52.656 53.050 -0.191 0.000 0.930 985 N CB 2.062 40.462 38.487 -0.146 0.000 1.152 985 N HN 0.536 nan 8.380 nan 0.000 0.505 986 I N 2.189 122.552 120.570 -0.344 0.000 2.330 986 I HA 0.222 4.400 4.170 0.014 0.000 0.289 986 I C -0.533 175.379 176.117 -0.341 0.000 1.001 986 I CA -0.477 60.575 61.300 -0.414 0.000 1.193 986 I CB 1.283 38.849 38.000 -0.724 0.000 1.345 986 I HN 0.198 nan 8.210 nan 0.000 0.461 987 D N 4.473 124.716 120.400 -0.263 0.000 2.248 987 D HA 0.300 4.948 4.640 0.014 0.000 0.246 987 D C 0.925 176.942 176.300 -0.473 0.000 1.027 987 D CA -0.308 53.478 54.000 -0.357 0.000 0.853 987 D CB 2.447 43.133 40.800 -0.190 0.000 1.243 987 D HN 0.659 nan 8.370 nan 0.000 0.462 988 G N 0.563 108.820 108.800 -0.905 0.000 2.426 988 G HA2 0.033 4.001 3.960 0.014 0.000 0.214 988 G HA3 0.033 4.001 3.960 0.014 0.000 0.214 988 G C 0.041 174.259 174.900 -1.137 0.000 1.156 988 G CA 0.469 44.925 45.100 -1.074 0.000 0.802 988 G HN 0.349 nan 8.290 nan 0.000 0.534 989 F N -1.802 117.951 119.950 -0.327 0.000 2.601 989 F HA 0.602 5.138 4.527 0.014 0.000 0.309 989 F C -0.552 175.138 175.800 -0.183 0.000 1.089 989 F CA -1.216 56.664 58.000 -0.200 0.000 0.940 989 F CB 2.103 40.905 39.000 -0.330 0.000 1.273 989 F HN 0.031 nan 8.300 nan 0.000 0.450 990 H N 1.956 121.022 119.070 -0.006 0.000 2.771 990 H HA 0.547 5.112 4.556 0.014 0.000 0.361 990 H C -0.804 174.540 175.328 0.027 0.000 1.108 990 H CA -0.891 55.132 56.048 -0.042 0.000 1.201 990 H CB 1.863 31.580 29.762 -0.075 0.000 1.681 990 H HN 0.779 nan 8.280 nan 0.000 0.534 991 M N 3.350 122.924 119.600 -0.043 0.000 2.226 991 M HA 0.329 4.817 4.480 0.014 0.000 0.324 991 M C 0.372 176.794 176.300 0.203 0.000 1.112 991 M CA 0.159 55.495 55.300 0.061 0.000 1.176 991 M CB 0.469 33.007 32.600 -0.103 0.000 1.430 991 M HN 0.811 nan 8.290 nan 0.000 0.462 992 G N 2.133 111.019 108.800 0.143 0.000 2.667 992 G HA2 0.323 4.292 3.960 0.014 0.000 0.250 992 G HA3 0.323 4.292 3.960 0.014 0.000 0.250 992 G C 0.533 175.416 174.900 -0.028 0.000 1.212 992 G CA -0.417 44.695 45.100 0.020 0.000 0.874 992 G HN 0.969 nan 8.290 nan 0.000 0.561 993 I N -1.938 118.563 120.570 -0.115 0.000 3.854 993 I HA 0.413 4.591 4.170 0.014 0.000 0.312 993 I C 1.225 177.279 176.117 -0.106 0.000 1.273 993 I CA 0.447 61.648 61.300 -0.166 0.000 1.298 993 I CB -0.453 37.344 38.000 -0.337 0.000 1.071 993 I HN 0.918 nan 8.210 nan 0.000 0.428 994 G N 1.748 110.509 108.800 -0.065 0.000 2.601 994 G HA2 -0.014 3.955 3.960 0.014 0.000 0.261 994 G HA3 -0.014 3.955 3.960 0.014 0.000 0.261 994 G C 0.632 175.534 174.900 0.003 0.000 1.289 994 G CA 0.275 45.377 45.100 0.004 0.000 0.920 994 G HN 1.414 nan 8.290 nan 0.000 0.571 995 G N -2.541 106.277 108.800 0.030 0.000 2.559 995 G HA2 0.002 3.971 3.960 0.014 0.000 0.202 995 G HA3 0.002 3.971 3.960 0.014 0.000 0.202 995 G C 0.660 175.621 174.900 0.102 0.000 0.992 995 G CA 0.918 46.044 45.100 0.044 0.000 0.764 995 G HN 0.958 nan 8.290 nan 0.000 0.525 996 D N 1.280 121.765 120.400 0.142 0.000 2.203 996 D HA 0.076 4.724 4.640 0.014 0.000 0.199 996 D C 1.015 177.368 176.300 0.088 0.000 0.997 996 D CA 2.111 56.261 54.000 0.251 0.000 0.863 996 D CB 0.112 41.060 40.800 0.246 0.000 0.928 996 D HN 0.828 nan 8.370 nan 0.000 0.458 997 D N -3.453 116.780 120.400 -0.279 0.000 2.643 997 D HA 0.351 4.999 4.640 0.014 0.000 0.283 997 D C -0.890 174.934 176.300 -0.793 0.000 1.242 997 D CA -0.767 52.627 54.000 -1.010 0.000 0.863 997 D CB 0.938 40.481 40.800 -2.096 0.000 1.382 997 D HN -0.303 nan 8.370 nan 0.000 0.444 998 S N -0.396 114.701 115.700 -1.005 0.000 2.661 998 S HA 0.268 4.746 4.470 0.014 0.000 0.245 998 S C -0.758 173.936 174.600 0.156 0.000 1.117 998 S CA -0.709 57.381 58.200 -0.182 0.000 1.091 998 S CB -0.562 62.762 63.200 0.207 0.000 0.887 998 S HN 0.628 nan 8.310 nan 0.000 0.491 999 W N 0.545 121.801 121.300 -0.073 0.000 1.780 999 W HA 0.510 5.178 4.660 0.013 0.000 0.256 999 W C -0.134 176.341 176.519 -0.075 0.000 0.844 999 W CA -0.453 56.842 57.345 -0.083 0.000 1.227 999 W CB -0.498 28.837 29.460 -0.208 0.000 1.006 999 W HN 0.186 nan 8.180 nan 0.000 0.493 1000 S N -1.231 114.368 115.700 -0.169 0.000 2.547 1000 S HA 0.560 5.038 4.470 0.014 0.000 0.270 1000 S C -3.126 171.411 174.600 -0.105 0.000 1.150 1000 S CA -1.522 56.617 58.200 -0.103 0.000 0.850 1000 S CB 1.634 64.791 63.200 -0.071 0.000 1.118 1000 S HN -0.224 nan 8.310 nan 0.000 0.461 1001 P HA 0.109 nan 4.420 nan 0.000 0.260 1001 P C 0.418 177.758 177.300 0.067 0.000 1.172 1001 P CA 0.265 63.364 63.100 -0.002 0.000 0.760 1001 P CB 0.425 31.987 31.700 -0.230 0.000 0.773 1002 S N 0.758 116.545 115.700 0.146 0.000 2.900 1002 S HA 0.154 4.632 4.470 0.014 0.000 0.253 1002 S C 0.144 174.843 174.600 0.165 0.000 1.029 1002 S CA -0.352 57.909 58.200 0.100 0.000 1.096 1002 S CB -0.240 62.968 63.200 0.014 0.000 1.067 1002 S HN 0.105 nan 8.310 nan 0.000 0.610 1003 V N 2.706 122.773 119.914 0.256 0.000 2.488 1003 V HA 0.398 4.526 4.120 0.014 0.000 0.277 1003 V C 0.799 177.065 176.094 0.287 0.000 1.046 1003 V CA -0.336 62.103 62.300 0.232 0.000 0.986 1003 V CB 1.127 33.044 31.823 0.156 0.000 0.989 1003 V HN 0.511 nan 8.190 nan 0.000 0.475 1004 S N 3.837 119.717 115.700 0.300 0.000 2.560 1004 S HA 0.268 4.746 4.470 0.014 0.000 0.284 1004 S C 1.533 176.281 174.600 0.246 0.000 1.327 1004 S CA 0.083 58.445 58.200 0.270 0.000 1.055 1004 S CB 1.079 64.453 63.200 0.289 0.000 0.868 1004 S HN 0.997 nan 8.310 nan 0.000 0.506 1005 A N 3.783 126.703 122.820 0.167 0.000 1.917 1005 A HA -0.163 4.166 4.320 0.014 0.000 0.219 1005 A C 2.007 179.634 177.584 0.072 0.000 1.182 1005 A CA 1.901 54.026 52.037 0.147 0.000 0.633 1005 A CB -0.666 18.403 19.000 0.115 0.000 0.819 1005 A HN 0.963 nan 8.150 nan 0.000 0.448 1006 E N -0.896 119.276 120.200 -0.047 0.000 2.472 1006 E HA -0.124 4.234 4.350 0.014 0.000 0.200 1006 E C 0.574 176.964 176.600 -0.350 0.000 1.046 1006 E CA 0.728 56.992 56.400 -0.226 0.000 0.871 1006 E CB -0.424 29.050 29.700 -0.377 0.000 0.806 1006 E HN 0.689 nan 8.360 nan 0.000 0.533 1007 F N 1.166 121.178 119.950 0.103 0.000 2.668 1007 F HA 0.281 4.817 4.527 0.014 0.000 0.301 1007 F C 0.780 176.632 175.800 0.087 0.000 1.106 1007 F CA -0.550 57.510 58.000 0.101 0.000 1.289 1007 F CB 0.573 39.631 39.000 0.097 0.000 1.006 1007 F HN -0.191 nan 8.300 nan 0.000 0.535 1008 Q N 1.098 121.027 119.800 0.215 0.000 2.222 1008 Q HA 0.467 4.815 4.340 0.014 0.000 0.252 1008 Q C -0.326 175.734 176.000 0.099 0.000 0.926 1008 Q CA -0.632 55.279 55.803 0.180 0.000 0.899 1008 Q CB 2.120 31.054 28.738 0.325 0.000 1.250 1008 Q HN 0.250 nan 8.270 nan 0.000 0.441 1009 L N 2.247 123.506 121.223 0.061 0.000 2.389 1009 L HA 0.164 4.513 4.340 0.014 0.000 0.265 1009 L C 0.489 177.341 176.870 -0.029 0.000 1.167 1009 L CA -0.121 54.733 54.840 0.022 0.000 1.045 1009 L CB -0.073 41.877 42.059 -0.181 0.000 1.351 1009 L HN 0.691 nan 8.230 nan 0.000 0.419 1010 S N -1.001 114.601 115.700 -0.164 0.000 2.593 1010 S HA 0.160 4.639 4.470 0.014 0.000 0.236 1010 S C 1.612 176.128 174.600 -0.141 0.000 0.991 1010 S CA 0.161 58.074 58.200 -0.478 0.000 0.963 1010 S CB 0.781 63.572 63.200 -0.682 0.000 0.865 1010 S HN 0.523 nan 8.310 nan 0.000 0.488 1011 A N 1.598 124.381 122.820 -0.062 0.000 2.070 1011 A HA 0.423 4.751 4.320 0.014 0.000 0.220 1011 A C 2.132 179.535 177.584 -0.300 0.000 1.159 1011 A CA 1.372 53.203 52.037 -0.343 0.000 0.656 1011 A CB -1.266 17.233 19.000 -0.835 0.000 0.800 1011 A HN 1.469 nan 8.150 nan 0.000 0.453 1012 G N -1.396 107.338 108.800 -0.111 0.000 2.900 1012 G HA2 -0.300 3.668 3.960 0.014 0.000 0.223 1012 G HA3 -0.300 3.668 3.960 0.014 0.000 0.223 1012 G C 0.459 175.332 174.900 -0.044 0.000 1.293 1012 G CA 0.447 45.532 45.100 -0.025 0.000 0.792 1012 G HN 0.692 nan 8.290 nan 0.000 0.527 1013 R N -0.295 120.059 120.500 -0.244 0.000 2.513 1013 R HA 0.689 5.038 4.340 0.014 0.000 0.301 1013 R C -1.515 174.515 176.300 -0.451 0.000 0.968 1013 R CA -0.521 55.469 56.100 -0.183 0.000 0.872 1013 R CB 1.407 31.651 30.300 -0.094 0.000 1.177 1013 R HN 0.295 nan 8.270 nan 0.000 0.444 1014 Y N 0.494 120.766 120.300 -0.046 0.000 2.477 1014 Y HA 0.362 4.920 4.550 0.014 0.000 0.347 1014 Y C -0.399 175.610 175.900 0.181 0.000 0.981 1014 Y CA -0.822 57.206 58.100 -0.121 0.000 1.033 1014 Y CB 2.211 40.431 38.460 -0.400 0.000 1.245 1014 Y HN 0.575 nan 8.280 nan 0.000 0.455 1015 H N 2.763 122.072 119.070 0.398 0.000 2.679 1015 H HA 0.619 5.183 4.556 0.014 0.000 0.360 1015 H C -1.723 173.986 175.328 0.635 0.000 1.105 1015 H CA -0.825 55.462 56.048 0.397 0.000 1.196 1015 H CB 1.287 31.187 29.762 0.230 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.348 121.516 120.300 -0.220 0.000 2.638 1016 Y HA 0.456 5.015 4.550 0.014 0.000 0.335 1016 Y C -1.795 173.973 175.900 -0.219 0.000 1.155 1016 Y CA -1.078 57.016 58.100 -0.009 0.000 1.046 1016 Y CB 1.585 40.100 38.460 0.093 0.000 1.303 1016 Y HN 0.706 nan 8.280 nan 0.000 0.460 1017 Q N 2.241 122.103 119.800 0.103 0.000 2.315 1017 Q HA 0.677 5.026 4.340 0.014 0.000 0.273 1017 Q C -2.262 173.841 176.000 0.171 0.000 1.053 1017 Q CA -0.823 55.002 55.803 0.036 0.000 0.817 1017 Q CB 2.596 31.404 28.738 0.116 0.000 1.326 1017 Q HN 0.920 nan 8.270 nan 0.000 0.423 1018 L N 2.535 123.831 121.223 0.122 0.000 2.381 1018 L HA 0.685 5.034 4.340 0.014 0.000 0.268 1018 L C -0.941 176.046 176.870 0.195 0.000 0.997 1018 L CA -1.046 53.898 54.840 0.175 0.000 0.818 1018 L CB 2.382 44.517 42.059 0.127 0.000 1.310 1018 L HN 0.351 nan 8.230 nan 0.000 0.416 1019 V N 1.309 121.364 119.914 0.235 0.000 2.409 1019 V HA 0.387 4.516 4.120 0.014 0.000 0.291 1019 V C -1.122 175.149 176.094 0.295 0.000 1.020 1019 V CA -0.466 61.978 62.300 0.241 0.000 0.848 1019 V CB 1.923 33.860 31.823 0.191 0.000 0.990 1019 V HN 0.595 nan 8.190 nan 0.000 0.430 1020 W N 6.911 128.280 121.300 0.116 0.000 2.529 1020 W HA 0.731 5.400 4.660 0.014 0.000 0.321 1020 W C -0.300 176.228 176.519 0.015 0.000 1.047 1020 W CA -1.187 56.144 57.345 -0.024 0.000 1.216 1020 W CB 1.562 31.068 29.460 0.077 0.000 1.357 1020 W HN 0.839 nan 8.180 nan 0.000 0.489 1021 C N 3.917 123.462 119.300 0.409 0.000 3.236 1021 C HA 0.800 5.269 4.460 0.014 0.000 0.312 1021 C C -0.623 174.474 174.990 0.178 0.000 1.374 1021 C CA -0.887 58.285 59.018 0.257 0.000 1.455 1021 C CB 1.417 29.250 27.740 0.156 0.000 1.834 1021 C HN 0.714 nan 8.230 nan 0.000 0.460 1022 Q N 1.734 121.585 119.800 0.085 0.000 2.282 1022 Q HA 0.663 5.011 4.340 0.014 0.000 0.260 1022 Q C -0.241 175.736 176.000 -0.037 0.000 0.964 1022 Q CA 0.085 55.873 55.803 -0.024 0.000 0.880 1022 Q CB 1.062 29.735 28.738 -0.109 0.000 1.286 1022 Q HN 0.815 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.354 120.400 -0.076 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.014 0.000 0.191 1023 K CA 0.000 56.254 56.287 -0.055 0.000 0.838 1023 K CB 0.000 32.460 32.500 -0.067 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543