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 1i84_1_V DATA FIRST_RESID 2 DATA SEQUENCE AQKPLSDDEK FLFVDKNFVN NPLAQADWSA KKLVWVPSEK HGFEAASIKE DATA SEQUENCE EKGDEVTVEL QENGKKVTLS KDDIQKMNPP KFSKVEDMAE LTCLNEASVL DATA SEQUENCE HNLRERYFSG LIYTYSGLFC VVINPYKQLP IYSEKIIDMY KGKKRHEMPP DATA SEQUENCE HIYAIADTAY RSMLQDREDQ SILCTGESGA GKTENTKKVI QYLAVVASSH DATA SEQUENCE KGKXXXXXXQ GPSFSYGELE KQLLQANPIL EAFGNAKTVK NDNSSRFGKF DATA SEQUENCE IRINFDVTGY IVGANIETYL LEKSRAIRQA KDERTFHIFY YLIAGASEQM DATA SEQUENCE RNDLLLEGFN NYTFLSNGHV PIPAQQDDEM FQETLEAMTI MGFTEEEQTS DATA SEQUENCE ILRVVSSVLQ LGNIVFKKER NTDQASMPDN TAAQKVCHLM GINVTDFTRS DATA SEQUENCE ILTPRIKVGR DVVQKAQTKE QADFAIEALA KAKFERLFRW ILTRVNKALD DATA SEQUENCE XXXXXXASFL GILDIAGFEI FEINSFEQLC INYTNEKLQQ LFNHTMFILE DATA SEQUENCE QEEYQREGIE WNFIDFGLDL QPCIELIERP TNPPGVLALL DEECWFPKAT DATA SEQUENCE DTSFVEKLIQ EQGNHAKFQK SKQLKDKTEF CILHYAGKVT YNASAWLTKN DATA SEQUENCE MDPLNDNVTS LLNQSSDKFV ADLWKDVDRI VGLXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXFRTVGQ LYKEQLTKLM TTLRNTNPNF VRCIIPNHEK RAGKLDAHLV DATA SEQUENCE LEQLRCNGVL EGIRICRQGF PNRIVFQEFR QRYEILAANA IPKGFMDGKQ DATA SEQUENCE ACILMIKALE LDPNLYRIGQ SKIFFRTGVL AHLEEERDLK ITDVIIAFQA DATA SEQUENCE QCRGYLARKA FAKRQQQLES IFCIQYNVRS FMNVXHWPWM XLFFXIXPLL DATA SEQUENCE KVTRQEEEMQ AKDEELQRTK ERQQKAEAEL KELEQKHTQL CEEKNLLQEK DATA SEQUENCE LQAETELYAE AEEMRVRLAA KKQELEEILH EMEARIEEEE ER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.555 177.584 -0.049 0.000 1.274 2 A CA 0.000 52.015 52.037 -0.037 0.000 0.836 2 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 3 Q N 0.332 120.092 119.800 -0.067 0.000 2.378 3 Q HA 0.455 4.794 4.340 -0.003 0.000 0.276 3 Q C -0.033 175.908 176.000 -0.099 0.000 1.083 3 Q CA -0.649 55.104 55.803 -0.084 0.000 0.856 3 Q CB 1.248 29.925 28.738 -0.100 0.000 1.383 3 Q HN 0.486 nan 8.270 nan 0.000 0.458 4 K N 1.130 121.462 120.400 -0.114 0.000 2.370 4 K HA -0.037 4.281 4.320 -0.003 0.000 0.263 4 K C -2.118 174.399 176.600 -0.139 0.000 0.983 4 K CA -0.202 56.011 56.287 -0.123 0.000 0.873 4 K CB -0.156 32.253 32.500 -0.152 0.000 0.979 4 K HN 0.325 nan 8.250 nan 0.000 0.529 5 P HA 0.289 nan 4.420 nan 0.000 0.293 5 P C -1.323 175.889 177.300 -0.147 0.000 1.291 5 P CA -0.477 62.553 63.100 -0.116 0.000 0.867 5 P CB 0.826 32.480 31.700 -0.075 0.000 1.074 6 L N 1.108 122.245 121.223 -0.142 0.000 2.296 6 L HA 0.456 4.794 4.340 -0.003 0.000 0.286 6 L C 0.982 177.801 176.870 -0.085 0.000 1.023 6 L CA -0.862 53.891 54.840 -0.145 0.000 0.812 6 L CB 1.479 43.445 42.059 -0.156 0.000 1.223 6 L HN 0.399 nan 8.230 nan 0.000 0.421 7 S N 0.698 116.360 115.700 -0.065 0.000 2.568 7 S HA -0.020 4.448 4.470 -0.003 0.000 0.282 7 S C 0.947 175.524 174.600 -0.039 0.000 1.338 7 S CA -0.202 57.977 58.200 -0.035 0.000 1.045 7 S CB 0.635 63.829 63.200 -0.010 0.000 0.873 7 S HN 0.748 nan 8.310 nan 0.000 0.516 8 D N 2.856 123.228 120.400 -0.046 0.000 2.220 8 D HA -0.198 4.441 4.640 -0.003 0.000 0.198 8 D C 0.899 177.125 176.300 -0.124 0.000 1.001 8 D CA 1.980 55.926 54.000 -0.090 0.000 0.875 8 D CB -0.394 40.370 40.800 -0.060 0.000 0.921 8 D HN 0.642 nan 8.370 nan 0.000 0.454 9 D N 0.454 120.847 120.400 -0.012 0.000 2.110 9 D HA -0.068 4.570 4.640 -0.003 0.000 0.202 9 D C 1.838 178.209 176.300 0.119 0.000 0.975 9 D CA 0.838 54.892 54.000 0.090 0.000 0.839 9 D CB -0.534 40.344 40.800 0.131 0.000 0.996 9 D HN 0.294 nan 8.370 nan 0.000 0.464 10 E N 0.552 120.819 120.200 0.112 0.000 2.333 10 E HA -0.159 4.189 4.350 -0.003 0.000 0.200 10 E C 1.342 178.071 176.600 0.215 0.000 1.010 10 E CA 0.804 57.337 56.400 0.223 0.000 0.841 10 E CB -0.040 29.763 29.700 0.172 0.000 0.757 10 E HN 0.275 nan 8.360 nan 0.000 0.508 11 K N -0.477 119.941 120.400 0.030 0.000 2.555 11 K HA -0.046 4.273 4.320 -0.003 0.000 0.193 11 K C 0.554 177.116 176.600 -0.062 0.000 1.032 11 K CA 0.337 56.592 56.287 -0.054 0.000 1.004 11 K CB 0.191 32.575 32.500 -0.193 0.000 0.804 11 K HN 0.087 nan 8.250 nan 0.000 0.496 12 F N -0.286 119.705 119.950 0.069 0.000 2.721 12 F HA 0.229 4.754 4.527 -0.003 0.000 0.301 12 F C 1.206 177.014 175.800 0.013 0.000 1.096 12 F CA 0.165 58.185 58.000 0.034 0.000 1.308 12 F CB 0.472 39.484 39.000 0.020 0.000 1.086 12 F HN -0.107 nan 8.300 nan 0.000 0.587 13 L N -2.489 118.848 121.223 0.190 0.000 3.284 13 L HA 0.215 4.553 4.340 -0.003 0.000 0.294 13 L C -0.810 175.971 176.870 -0.148 0.000 1.183 13 L CA 0.201 55.047 54.840 0.010 0.000 1.056 13 L CB 0.871 42.900 42.059 -0.050 0.000 1.513 13 L HN -0.259 nan 8.230 nan 0.000 0.601 14 F N 0.678 120.650 119.950 0.037 0.000 2.508 14 F HA 0.459 4.984 4.527 -0.003 0.000 0.325 14 F C 0.288 176.072 175.800 -0.027 0.000 1.090 14 F CA -1.217 56.779 58.000 -0.007 0.000 0.945 14 F CB 1.719 40.701 39.000 -0.031 0.000 1.156 14 F HN -0.377 nan 8.300 nan 0.000 0.463 15 V N 0.349 120.387 119.914 0.207 0.000 2.546 15 V HA 0.333 4.451 4.120 -0.003 0.000 0.284 15 V C -0.517 175.572 176.094 -0.009 0.000 1.050 15 V CA -0.941 61.402 62.300 0.072 0.000 0.981 15 V CB 0.784 32.636 31.823 0.049 0.000 0.990 15 V HN 0.491 nan 8.190 nan 0.000 0.474 16 D N 4.055 124.398 120.400 -0.094 0.000 2.352 16 D HA 0.284 4.922 4.640 -0.003 0.000 0.245 16 D C 0.487 176.528 176.300 -0.433 0.000 1.224 16 D CA 0.122 53.958 54.000 -0.274 0.000 0.879 16 D CB 1.594 42.233 40.800 -0.268 0.000 1.057 16 D HN 0.643 nan 8.370 nan 0.000 0.491 17 K N 1.159 121.316 120.400 -0.406 0.000 2.412 17 K HA 0.073 4.391 4.320 -0.003 0.000 0.202 17 K C 0.030 176.401 176.600 -0.381 0.000 1.102 17 K CA -0.289 55.794 56.287 -0.340 0.000 1.027 17 K CB 0.520 32.924 32.500 -0.160 0.000 0.931 17 K HN 0.057 nan 8.250 nan 0.000 0.557 18 N N 1.347 119.782 118.700 -0.441 0.000 2.508 18 N HA 0.132 4.871 4.740 -0.003 0.000 0.253 18 N C -1.320 174.132 175.510 -0.096 0.000 1.145 18 N CA 0.491 53.405 53.050 -0.228 0.000 0.973 18 N CB 0.034 38.435 38.487 -0.144 0.000 1.305 18 N HN -0.077 nan 8.380 nan 0.000 0.506 19 F N -0.537 119.400 119.950 -0.021 0.000 2.869 19 F HA 0.417 4.943 4.527 -0.003 0.000 0.325 19 F C 0.032 175.821 175.800 -0.019 0.000 1.184 19 F CA -1.111 56.879 58.000 -0.017 0.000 0.951 19 F CB 0.212 39.205 39.000 -0.012 0.000 1.421 19 F HN -0.176 nan 8.300 nan 0.000 0.501 20 V N 2.551 122.580 119.914 0.193 0.000 2.686 20 V HA 0.287 4.406 4.120 -0.003 0.000 0.295 20 V C 0.053 176.189 176.094 0.070 0.000 1.057 20 V CA -0.712 61.636 62.300 0.080 0.000 1.012 20 V CB 1.201 33.037 31.823 0.022 0.000 1.006 20 V HN 0.696 nan 8.190 nan 0.000 0.477 21 N N 4.836 123.557 118.700 0.036 0.000 3.210 21 N HA -0.020 4.718 4.740 -0.003 0.000 0.314 21 N C 0.110 175.624 175.510 0.007 0.000 1.291 21 N CA -0.043 53.017 53.050 0.017 0.000 1.202 21 N CB -0.897 37.588 38.487 -0.003 0.000 1.475 21 N HN 0.857 nan 8.380 nan 0.000 0.554 22 N N 0.868 119.578 118.700 0.016 0.000 2.359 22 N HA -0.021 4.717 4.740 -0.003 0.000 0.261 22 N C -1.821 173.692 175.510 0.005 0.000 1.267 22 N CA -0.825 52.229 53.050 0.007 0.000 0.864 22 N CB 0.690 39.181 38.487 0.007 0.000 1.063 22 N HN 0.081 nan 8.380 nan 0.000 0.474 23 P HA 0.084 nan 4.420 nan 0.000 0.261 23 P C 0.930 178.249 177.300 0.031 0.000 1.352 23 P CA -0.002 63.101 63.100 0.006 0.000 0.891 23 P CB 0.343 32.045 31.700 0.003 0.000 1.383 24 L N -0.187 121.054 121.223 0.030 0.000 1.994 24 L HA -0.150 4.188 4.340 -0.003 0.000 0.208 24 L C 2.325 179.232 176.870 0.062 0.000 1.071 24 L CA 2.335 57.199 54.840 0.040 0.000 0.745 24 L CB -1.462 40.613 42.059 0.026 0.000 0.892 24 L HN 0.046 nan 8.230 nan 0.000 0.431 25 A N -1.029 121.825 122.820 0.056 0.000 1.897 25 A HA -0.199 4.119 4.320 -0.003 0.000 0.215 25 A C 2.193 179.834 177.584 0.094 0.000 1.181 25 A CA 0.960 53.041 52.037 0.074 0.000 0.620 25 A CB -0.508 18.530 19.000 0.063 0.000 0.821 25 A HN 0.423 nan 8.150 nan 0.000 0.443 26 Q N -0.502 119.322 119.800 0.041 0.000 2.500 26 Q HA -0.014 4.325 4.340 -0.003 0.000 0.213 26 Q C 1.674 177.702 176.000 0.046 0.000 0.974 26 Q CA 1.124 56.904 55.803 -0.040 0.000 0.918 26 Q CB -0.096 28.585 28.738 -0.095 0.000 0.980 26 Q HN 0.620 nan 8.270 nan 0.000 0.505 27 A N -0.229 122.713 122.820 0.204 0.000 2.013 27 A HA -0.023 4.295 4.320 -0.003 0.000 0.204 27 A C 1.686 179.505 177.584 0.392 0.000 1.262 27 A CA 0.549 52.795 52.037 0.349 0.000 0.800 27 A CB -0.125 18.975 19.000 0.167 0.000 0.909 27 A HN 0.289 nan 8.150 nan 0.000 0.472 28 D N 0.237 120.775 120.400 0.231 0.000 2.311 28 D HA -0.184 4.454 4.640 -0.003 0.000 0.212 28 D C 1.739 178.117 176.300 0.130 0.000 0.972 28 D CA 1.385 55.461 54.000 0.127 0.000 0.887 28 D CB -0.296 40.556 40.800 0.086 0.000 0.915 28 D HN 0.740 nan 8.370 nan 0.000 0.497 29 W N 0.946 122.241 121.300 -0.008 0.000 2.336 29 W HA -0.145 4.514 4.660 -0.003 0.000 0.277 29 W C 1.498 178.011 176.519 -0.010 0.000 1.211 29 W CA 0.819 58.160 57.345 -0.007 0.000 1.187 29 W CB -1.463 27.996 29.460 -0.001 0.000 1.132 29 W HN -0.098 nan 8.180 nan 0.000 0.562 30 S N 1.690 116.964 115.700 -0.710 0.000 2.400 30 S HA -0.031 4.437 4.470 -0.003 0.000 0.232 30 S C 1.896 176.267 174.600 -0.381 0.000 1.025 30 S CA 1.606 59.338 58.200 -0.779 0.000 0.993 30 S CB -0.696 62.200 63.200 -0.506 0.000 0.808 30 S HN 0.379 nan 8.310 nan 0.000 0.478 31 A N 1.492 124.183 122.820 -0.215 0.000 2.233 31 A HA 0.096 4.414 4.320 -0.003 0.000 0.230 31 A C 1.482 178.995 177.584 -0.119 0.000 1.347 31 A CA 0.089 52.045 52.037 -0.135 0.000 1.087 31 A CB -0.597 18.352 19.000 -0.084 0.000 0.871 31 A HN 0.419 nan 8.150 nan 0.000 0.519 32 K N 0.224 120.525 120.400 -0.164 0.000 2.227 32 K HA -0.226 4.092 4.320 -0.003 0.000 0.208 32 K C 0.968 177.527 176.600 -0.068 0.000 1.045 32 K CA 1.537 57.761 56.287 -0.105 0.000 0.931 32 K CB -0.093 32.321 32.500 -0.144 0.000 0.721 32 K HN 0.258 nan 8.250 nan 0.000 0.469 33 K N 1.074 121.426 120.400 -0.081 0.000 2.633 33 K HA -0.007 4.311 4.320 -0.003 0.000 0.193 33 K C 0.454 177.012 176.600 -0.071 0.000 1.033 33 K CA 0.402 56.651 56.287 -0.063 0.000 0.980 33 K CB -0.625 31.837 32.500 -0.062 0.000 0.800 33 K HN 0.227 nan 8.250 nan 0.000 0.493 34 L N 1.316 122.487 121.223 -0.086 0.000 2.410 34 L HA 0.022 4.360 4.340 -0.003 0.000 0.273 34 L C 0.457 177.228 176.870 -0.165 0.000 1.144 34 L CA -0.264 54.494 54.840 -0.136 0.000 0.863 34 L CB 0.480 42.456 42.059 -0.139 0.000 1.140 34 L HN -0.106 nan 8.230 nan 0.000 0.463 35 V N 0.400 120.183 119.914 -0.218 0.000 3.076 35 V HA 0.593 4.711 4.120 -0.003 0.000 0.311 35 V C -1.445 174.449 176.094 -0.333 0.000 1.346 35 V CA -1.079 61.106 62.300 -0.193 0.000 1.056 35 V CB 1.761 33.565 31.823 -0.031 0.000 1.093 35 V HN 0.671 nan 8.190 nan 0.000 0.468 36 W N -0.265 121.027 121.300 -0.013 0.000 2.627 36 W HA 0.859 5.517 4.660 -0.003 0.000 0.339 36 W C -0.681 175.892 176.519 0.090 0.000 1.058 36 W CA -0.385 56.961 57.345 0.003 0.000 1.223 36 W CB 2.185 31.571 29.460 -0.123 0.000 1.389 36 W HN 0.751 nan 8.180 nan 0.000 0.541 37 V N 0.048 120.249 119.914 0.478 0.000 3.204 37 V HA 0.499 4.617 4.120 -0.003 0.000 0.298 37 V C -2.531 173.798 176.094 0.392 0.000 1.328 37 V CA -2.901 59.631 62.300 0.387 0.000 1.035 37 V CB 1.175 33.117 31.823 0.197 0.000 1.095 37 V HN 0.305 nan 8.190 nan 0.000 0.442 38 P HA 0.049 nan 4.420 nan 0.000 0.274 38 P C -0.111 177.214 177.300 0.042 0.000 1.209 38 P CA 0.730 63.866 63.100 0.059 0.000 0.790 38 P CB 0.273 32.004 31.700 0.051 0.000 0.834 39 S N -0.083 115.608 115.700 -0.014 0.000 2.388 39 S HA 0.069 4.537 4.470 -0.003 0.000 0.279 39 S C 0.193 174.840 174.600 0.079 0.000 0.987 39 S CA -0.531 57.677 58.200 0.014 0.000 0.993 39 S CB -0.011 63.215 63.200 0.042 0.000 1.207 39 S HN 0.405 nan 8.310 nan 0.000 0.425 40 E N 2.228 122.463 120.200 0.058 0.000 2.520 40 E HA 0.087 4.435 4.350 -0.003 0.000 0.201 40 E C 0.939 177.620 176.600 0.135 0.000 1.122 40 E CA 0.331 56.786 56.400 0.092 0.000 0.896 40 E CB 0.226 29.938 29.700 0.019 0.000 0.891 40 E HN 0.334 nan 8.360 nan 0.000 0.533 41 K N -1.304 119.176 120.400 0.134 0.000 2.589 41 K HA 0.072 4.390 4.320 -0.003 0.000 0.218 41 K C 0.171 177.037 176.600 0.444 0.000 1.468 41 K CA 0.239 56.649 56.287 0.204 0.000 1.002 41 K CB 0.760 33.333 32.500 0.120 0.000 1.200 41 K HN 0.062 nan 8.250 nan 0.000 0.614 42 H N -1.180 117.899 119.070 0.015 0.000 3.398 42 H HA 0.267 4.821 4.556 -0.003 0.000 0.260 42 H C 1.185 176.441 175.328 -0.120 0.000 1.189 42 H CA 0.531 56.586 56.048 0.011 0.000 1.145 42 H CB 1.224 31.047 29.762 0.103 0.000 1.599 42 H HN 0.327 nan 8.280 nan 0.000 0.615 43 G N 0.502 109.156 108.800 -0.242 0.000 2.855 43 G HA2 -0.328 3.631 3.960 -0.003 0.000 0.231 43 G HA3 -0.328 3.631 3.960 -0.003 0.000 0.231 43 G C 0.125 174.566 174.900 -0.765 0.000 1.242 43 G CA 1.041 45.691 45.100 -0.751 0.000 0.789 43 G HN 0.291 nan 8.290 nan 0.000 0.517 44 F N 0.432 120.435 119.950 0.089 0.000 2.713 44 F HA 0.649 5.175 4.527 -0.003 0.000 0.311 44 F C -0.219 175.783 175.800 0.337 0.000 1.141 44 F CA -0.275 57.841 58.000 0.193 0.000 0.939 44 F CB 1.982 41.050 39.000 0.113 0.000 1.325 44 F HN 0.544 nan 8.300 nan 0.000 0.453 45 E N 0.773 121.340 120.200 0.612 0.000 2.407 45 E HA 0.782 5.130 4.350 -0.003 0.000 0.279 45 E C -1.860 174.855 176.600 0.192 0.000 1.012 45 E CA -1.304 55.359 56.400 0.438 0.000 0.800 45 E CB 1.868 31.716 29.700 0.246 0.000 1.276 45 E HN 0.809 nan 8.360 nan 0.000 0.452 46 A N 1.380 124.160 122.820 -0.066 0.000 2.425 46 A HA 0.712 5.030 4.320 -0.003 0.000 0.249 46 A C -0.026 177.456 177.584 -0.169 0.000 1.084 46 A CA 0.496 52.324 52.037 -0.349 0.000 0.781 46 A CB 0.193 18.981 19.000 -0.352 0.000 1.019 46 A HN 1.148 nan 8.150 nan 0.000 0.490 47 A N 1.030 123.729 122.820 -0.201 0.000 2.586 47 A HA 0.708 5.026 4.320 -0.003 0.000 0.291 47 A C -0.531 176.982 177.584 -0.117 0.000 1.062 47 A CA 0.099 52.071 52.037 -0.109 0.000 0.666 47 A CB 0.662 19.633 19.000 -0.049 0.000 1.281 47 A HN 1.640 nan 8.150 nan 0.000 0.421 48 S N 0.192 115.845 115.700 -0.078 0.000 2.557 48 S HA 0.634 5.102 4.470 -0.003 0.000 0.291 48 S C -0.315 174.255 174.600 -0.050 0.000 1.116 48 S CA -0.563 57.594 58.200 -0.072 0.000 0.992 48 S CB 0.340 63.495 63.200 -0.074 0.000 1.028 48 S HN 0.664 nan 8.310 nan 0.000 0.484 49 I N 4.677 125.220 120.570 -0.045 0.000 2.919 49 I HA -0.007 4.162 4.170 -0.003 0.000 0.303 49 I C 1.176 177.274 176.117 -0.033 0.000 1.221 49 I CA 0.239 61.520 61.300 -0.031 0.000 1.444 49 I CB 0.417 38.400 38.000 -0.028 0.000 1.331 49 I HN 0.588 nan 8.210 nan 0.000 0.572 50 K N 3.860 124.245 120.400 -0.025 0.000 2.367 50 K HA 0.306 4.625 4.320 -0.003 0.000 0.198 50 K C -0.022 176.566 176.600 -0.021 0.000 1.132 50 K CA 0.556 56.829 56.287 -0.024 0.000 0.941 50 K CB 0.588 33.076 32.500 -0.020 0.000 1.052 50 K HN 0.604 nan 8.250 nan 0.000 0.507 51 E N 0.980 121.170 120.200 -0.016 0.000 2.415 51 E HA 0.099 4.447 4.350 -0.003 0.000 0.302 51 E C -1.509 175.086 176.600 -0.009 0.000 0.907 51 E CA -0.039 56.353 56.400 -0.013 0.000 0.798 51 E CB 1.478 31.171 29.700 -0.011 0.000 1.315 51 E HN -0.034 nan 8.360 nan 0.000 0.396 52 E N 3.950 124.145 120.200 -0.009 0.000 2.129 52 E HA 0.111 4.460 4.350 -0.003 0.000 0.283 52 E C -0.711 175.887 176.600 -0.003 0.000 1.080 52 E CA -0.025 56.372 56.400 -0.004 0.000 0.867 52 E CB 0.618 30.315 29.700 -0.005 0.000 1.056 52 E HN 0.209 nan 8.360 nan 0.000 0.404 53 K N 3.139 123.539 120.400 -0.000 0.000 2.606 53 K HA 0.304 4.623 4.320 -0.003 0.000 0.196 53 K C 0.599 177.200 176.600 0.002 0.000 1.048 53 K CA -0.334 55.953 56.287 -0.000 0.000 1.017 53 K CB 1.062 33.562 32.500 -0.000 0.000 1.413 53 K HN 0.699 nan 8.250 nan 0.000 0.568 54 G N 3.042 111.844 108.800 0.002 0.000 2.582 54 G HA2 -0.437 3.522 3.960 -0.003 0.000 0.288 54 G HA3 -0.437 3.522 3.960 -0.003 0.000 0.288 54 G C 0.676 175.580 174.900 0.006 0.000 1.247 54 G CA 0.746 45.848 45.100 0.003 0.000 0.972 54 G HN 0.605 nan 8.290 nan 0.000 0.557 55 D N 1.017 121.421 120.400 0.006 0.000 2.357 55 D HA 0.081 4.720 4.640 -0.003 0.000 0.216 55 D C 0.992 177.299 176.300 0.012 0.000 0.973 55 D CA 1.903 55.909 54.000 0.009 0.000 0.912 55 D CB 0.050 40.855 40.800 0.009 0.000 0.900 55 D HN 0.511 nan 8.370 nan 0.000 0.501 56 E N -1.552 118.654 120.200 0.010 0.000 2.359 56 E HA 0.669 5.017 4.350 -0.003 0.000 0.266 56 E C -1.235 175.371 176.600 0.009 0.000 0.920 56 E CA -1.008 55.399 56.400 0.012 0.000 0.788 56 E CB 2.705 32.411 29.700 0.010 0.000 1.279 56 E HN -0.208 nan 8.360 nan 0.000 0.438 57 V N 0.538 120.458 119.914 0.011 0.000 2.969 57 V HA 0.424 4.542 4.120 -0.003 0.000 0.304 57 V C -0.687 175.411 176.094 0.006 0.000 1.192 57 V CA -1.103 61.201 62.300 0.007 0.000 0.962 57 V CB 2.083 33.910 31.823 0.008 0.000 1.045 57 V HN 0.862 nan 8.190 nan 0.000 0.428 58 T N 1.333 115.888 114.554 0.001 0.000 2.856 58 T HA 0.809 5.158 4.350 -0.003 0.000 0.292 58 T C -0.651 174.046 174.700 -0.005 0.000 0.980 58 T CA -0.422 61.677 62.100 -0.002 0.000 1.091 58 T CB 1.360 70.225 68.868 -0.005 0.000 0.936 58 T HN 0.538 nan 8.240 nan 0.000 0.503 59 V N 2.604 122.515 119.914 -0.004 0.000 3.049 59 V HA 0.583 4.701 4.120 -0.003 0.000 0.309 59 V C -0.657 175.430 176.094 -0.012 0.000 1.148 59 V CA -1.080 61.213 62.300 -0.010 0.000 0.990 59 V CB 2.189 34.008 31.823 -0.006 0.000 1.039 59 V HN 1.078 nan 8.190 nan 0.000 0.430 60 E N 2.728 122.916 120.200 -0.020 0.000 2.176 60 E HA 0.571 4.919 4.350 -0.003 0.000 0.267 60 E C -0.982 175.602 176.600 -0.025 0.000 0.893 60 E CA -0.731 55.657 56.400 -0.020 0.000 0.761 60 E CB 1.417 31.104 29.700 -0.021 0.000 1.133 60 E HN 0.652 nan 8.360 nan 0.000 0.409 61 L N 4.719 125.931 121.223 -0.019 0.000 2.615 61 L HA -0.011 4.328 4.340 -0.003 0.000 0.271 61 L C 1.240 178.093 176.870 -0.028 0.000 1.183 61 L CA 0.182 55.008 54.840 -0.022 0.000 0.933 61 L CB -0.032 42.019 42.059 -0.012 0.000 1.199 61 L HN 0.742 nan 8.230 nan 0.000 0.487 62 Q N 1.516 121.290 119.800 -0.044 0.000 2.408 62 Q HA -0.121 4.217 4.340 -0.003 0.000 0.214 62 Q C 0.827 176.814 176.000 -0.021 0.000 0.957 62 Q CA 0.830 56.607 55.803 -0.044 0.000 0.965 62 Q CB 0.254 28.947 28.738 -0.074 0.000 0.991 62 Q HN 0.769 nan 8.270 nan 0.000 0.505 63 E N 0.497 120.692 120.200 -0.009 0.000 2.949 63 E HA 0.002 4.350 4.350 -0.003 0.000 0.182 63 E C 0.874 177.478 176.600 0.007 0.000 1.154 63 E CA 0.646 57.053 56.400 0.012 0.000 1.205 63 E CB -0.748 28.969 29.700 0.029 0.000 1.865 63 E HN 0.317 nan 8.360 nan 0.000 0.516 64 N N -0.117 118.582 118.700 -0.001 0.000 2.521 64 N HA -0.035 4.704 4.740 -0.003 0.000 0.188 64 N C 0.599 176.105 175.510 -0.005 0.000 1.146 64 N CA 0.867 53.915 53.050 -0.004 0.000 0.893 64 N CB -0.033 38.447 38.487 -0.011 0.000 0.975 64 N HN 0.452 nan 8.380 nan 0.000 0.451 65 G N 1.186 109.982 108.800 -0.007 0.000 2.205 65 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.269 65 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.269 65 G C 0.347 175.240 174.900 -0.010 0.000 0.977 65 G CA 0.422 45.516 45.100 -0.009 0.000 0.652 65 G HN 0.318 nan 8.290 nan 0.000 0.539 66 K N 0.524 120.918 120.400 -0.010 0.000 2.276 66 K HA 0.367 4.686 4.320 -0.003 0.000 0.259 66 K C 0.146 176.740 176.600 -0.010 0.000 1.001 66 K CA 0.054 56.336 56.287 -0.009 0.000 0.927 66 K CB 0.609 33.104 32.500 -0.009 0.000 0.969 66 K HN 0.252 nan 8.250 nan 0.000 0.490 67 K N 1.994 122.390 120.400 -0.008 0.000 2.507 67 K HA 0.314 4.632 4.320 -0.003 0.000 0.253 67 K C -1.472 175.126 176.600 -0.005 0.000 0.969 67 K CA -0.525 55.757 56.287 -0.008 0.000 0.908 67 K CB 1.111 33.606 32.500 -0.009 0.000 1.127 67 K HN 0.199 nan 8.250 nan 0.000 0.437 68 V N 2.038 121.950 119.914 -0.002 0.000 2.876 68 V HA 0.469 4.587 4.120 -0.003 0.000 0.312 68 V C -0.419 175.678 176.094 0.005 0.000 1.085 68 V CA -0.910 61.391 62.300 0.002 0.000 0.945 68 V CB 2.275 34.101 31.823 0.005 0.000 1.017 68 V HN 0.672 nan 8.190 nan 0.000 0.428 69 T N 5.333 119.891 114.554 0.006 0.000 2.779 69 T HA 0.748 5.096 4.350 -0.003 0.000 0.280 69 T C -0.479 174.230 174.700 0.015 0.000 0.987 69 T CA -0.226 61.879 62.100 0.009 0.000 0.966 69 T CB 0.794 69.665 68.868 0.005 0.000 0.933 69 T HN 0.377 nan 8.240 nan 0.000 0.442 70 L N 1.027 122.262 121.223 0.021 0.000 2.279 70 L HA 0.571 4.909 4.340 -0.003 0.000 0.262 70 L C 0.726 177.613 176.870 0.028 0.000 1.019 70 L CA -1.210 53.647 54.840 0.028 0.000 0.823 70 L CB 1.835 43.919 42.059 0.042 0.000 1.358 70 L HN 0.501 nan 8.230 nan 0.000 0.432 71 S N 0.383 116.101 115.700 0.030 0.000 2.558 71 S HA -0.056 4.412 4.470 -0.003 0.000 0.287 71 S C 0.779 175.398 174.600 0.032 0.000 1.321 71 S CA -0.050 58.166 58.200 0.028 0.000 1.048 71 S CB 0.294 63.511 63.200 0.029 0.000 0.844 71 S HN 0.532 nan 8.310 nan 0.000 0.512 72 K N 2.297 122.713 120.400 0.025 0.000 2.743 72 K HA -0.036 4.283 4.320 -0.003 0.000 0.219 72 K C -0.329 176.290 176.600 0.031 0.000 1.003 72 K CA 0.673 56.975 56.287 0.025 0.000 1.156 72 K CB -0.591 31.919 32.500 0.017 0.000 0.932 72 K HN 0.682 nan 8.250 nan 0.000 0.490 73 D N -1.563 118.860 120.400 0.039 0.000 2.523 73 D HA 0.014 4.653 4.640 -0.003 0.000 0.269 73 D C -0.284 176.053 176.300 0.063 0.000 1.374 73 D CA -0.249 53.778 54.000 0.044 0.000 0.820 73 D CB 0.284 41.106 40.800 0.036 0.000 1.211 73 D HN 0.055 nan 8.370 nan 0.000 0.502 74 D N 1.239 121.684 120.400 0.074 0.000 2.433 74 D HA 0.202 4.840 4.640 -0.003 0.000 0.211 74 D C 0.823 177.206 176.300 0.138 0.000 1.114 74 D CA -0.088 53.976 54.000 0.106 0.000 0.837 74 D CB 1.054 41.908 40.800 0.091 0.000 0.984 74 D HN 0.475 nan 8.370 nan 0.000 0.505 75 I N -1.724 118.911 120.570 0.109 0.000 2.577 75 I HA 0.519 4.688 4.170 -0.003 0.000 0.305 75 I C -0.631 175.555 176.117 0.114 0.000 0.986 75 I CA -0.792 60.580 61.300 0.120 0.000 1.189 75 I CB 1.437 39.483 38.000 0.078 0.000 1.355 75 I HN -0.343 nan 8.210 nan 0.000 0.476 76 Q N 3.368 123.258 119.800 0.151 0.000 2.304 76 Q HA 0.393 4.731 4.340 -0.003 0.000 0.270 76 Q C -1.349 174.786 176.000 0.226 0.000 1.035 76 Q CA -1.250 54.630 55.803 0.127 0.000 0.781 76 Q CB 2.441 31.182 28.738 0.006 0.000 1.261 76 Q HN 0.531 nan 8.270 nan 0.000 0.444 77 K N 1.454 121.945 120.400 0.152 0.000 2.550 77 K HA 0.016 4.334 4.320 -0.003 0.000 0.280 77 K C -0.377 176.418 176.600 0.325 0.000 0.987 77 K CA 0.704 57.088 56.287 0.162 0.000 1.048 77 K CB 0.242 32.802 32.500 0.100 0.000 0.879 77 K HN 0.511 nan 8.250 nan 0.000 0.491 78 M N 2.026 121.771 119.600 0.241 0.000 2.367 78 M HA 0.177 4.656 4.480 -0.003 0.000 0.339 78 M C -0.461 176.009 176.300 0.283 0.000 1.177 78 M CA -0.269 55.233 55.300 0.336 0.000 1.068 78 M CB 1.225 33.754 32.600 -0.117 0.000 1.602 78 M HN 0.647 nan 8.290 nan 0.000 0.457 79 N N 2.751 121.666 118.700 0.359 0.000 2.509 79 N HA 0.463 5.202 4.740 -0.003 0.000 0.287 79 N C -2.482 173.257 175.510 0.382 0.000 1.121 79 N CA -1.280 51.964 53.050 0.325 0.000 0.977 79 N CB 1.007 39.627 38.487 0.221 0.000 1.167 79 N HN 0.366 nan 8.380 nan 0.000 0.476 80 P HA 0.040 nan 4.420 nan 0.000 0.269 80 P C -2.121 175.309 177.300 0.217 0.000 1.217 80 P CA -0.925 62.326 63.100 0.251 0.000 0.783 80 P CB 0.011 31.791 31.700 0.133 0.000 0.898 81 P HA -0.141 nan 4.420 nan 0.000 0.225 81 P C 1.107 178.433 177.300 0.044 0.000 1.148 81 P CA 1.367 64.531 63.100 0.107 0.000 0.779 81 P CB -0.089 31.655 31.700 0.072 0.000 0.780 82 K N -0.629 119.720 120.400 -0.085 0.000 2.555 82 K HA -0.038 4.280 4.320 -0.003 0.000 0.193 82 K C 0.365 176.782 176.600 -0.304 0.000 1.032 82 K CA 0.681 56.825 56.287 -0.239 0.000 1.004 82 K CB -0.403 31.849 32.500 -0.414 0.000 0.804 82 K HN 0.079 nan 8.250 nan 0.000 0.496 83 F N 0.693 120.683 119.950 0.067 0.000 2.682 83 F HA 0.285 4.810 4.527 -0.003 0.000 0.308 83 F C 0.691 176.536 175.800 0.075 0.000 1.093 83 F CA -0.615 57.426 58.000 0.068 0.000 1.244 83 F CB 0.334 39.385 39.000 0.085 0.000 1.052 83 F HN -0.205 nan 8.300 nan 0.000 0.573 84 S N 1.160 116.998 115.700 0.230 0.000 2.575 84 S HA 0.025 4.493 4.470 -0.003 0.000 0.295 84 S C 0.782 175.455 174.600 0.122 0.000 1.267 84 S CA 0.269 58.573 58.200 0.174 0.000 1.074 84 S CB -0.105 63.182 63.200 0.145 0.000 0.829 84 S HN 0.380 nan 8.310 nan 0.000 0.497 85 K N 0.864 121.317 120.400 0.087 0.000 3.096 85 K HA -0.145 4.173 4.320 -0.003 0.000 0.266 85 K C -0.107 176.529 176.600 0.060 0.000 1.043 85 K CA 0.208 56.526 56.287 0.053 0.000 0.758 85 K CB -1.613 30.916 32.500 0.048 0.000 1.260 85 K HN 0.420 nan 8.250 nan 0.000 0.481 86 V N 0.861 120.827 119.914 0.086 0.000 3.178 86 V HA -0.086 4.033 4.120 -0.003 0.000 0.306 86 V C 1.589 177.700 176.094 0.028 0.000 1.107 86 V CA 0.495 62.849 62.300 0.091 0.000 1.195 86 V CB 1.079 32.978 31.823 0.127 0.000 0.993 86 V HN 0.364 nan 8.190 nan 0.000 0.493 87 E N 1.794 122.007 120.200 0.022 0.000 2.140 87 E HA 0.054 4.402 4.350 -0.003 0.000 0.191 87 E C 0.155 176.735 176.600 -0.034 0.000 0.973 87 E CA 0.524 56.896 56.400 -0.046 0.000 0.829 87 E CB 0.128 29.799 29.700 -0.047 0.000 0.781 87 E HN 0.728 nan 8.360 nan 0.000 0.466 88 D N 0.580 121.004 120.400 0.041 0.000 2.408 88 D HA 0.105 4.744 4.640 -0.003 0.000 0.261 88 D C 1.299 177.608 176.300 0.016 0.000 1.190 88 D CA -0.187 53.858 54.000 0.074 0.000 0.910 88 D CB 0.462 41.345 40.800 0.139 0.000 1.097 88 D HN -0.222 nan 8.370 nan 0.000 0.522 89 M N 1.651 121.235 119.600 -0.027 0.000 2.164 89 M HA -0.241 4.237 4.480 -0.003 0.000 0.251 89 M C 1.746 178.001 176.300 -0.076 0.000 1.087 89 M CA 1.394 56.651 55.300 -0.071 0.000 1.071 89 M CB -1.491 31.059 32.600 -0.083 0.000 1.347 89 M HN 0.453 nan 8.290 nan 0.000 0.399 90 A N -0.438 122.355 122.820 -0.046 0.000 2.277 90 A HA -0.106 4.213 4.320 -0.003 0.000 0.208 90 A C 1.948 179.520 177.584 -0.021 0.000 1.202 90 A CA 1.456 53.477 52.037 -0.026 0.000 0.762 90 A CB -0.705 18.291 19.000 -0.007 0.000 0.770 90 A HN 0.627 nan 8.150 nan 0.000 0.487 91 E N -0.852 119.324 120.200 -0.040 0.000 2.152 91 E HA 0.213 4.562 4.350 -0.003 0.000 0.195 91 E C -0.190 176.297 176.600 -0.189 0.000 0.934 91 E CA -0.338 56.057 56.400 -0.008 0.000 0.869 91 E CB -0.076 29.683 29.700 0.098 0.000 0.842 91 E HN 0.563 nan 8.360 nan 0.000 0.472 92 L N 2.392 123.306 121.223 -0.515 0.000 2.678 92 L HA -0.096 4.243 4.340 -0.003 0.000 0.285 92 L C 1.079 177.551 176.870 -0.663 0.000 1.233 92 L CA 0.433 54.504 54.840 -1.282 0.000 0.920 92 L CB 0.040 41.609 42.059 -0.817 0.000 1.176 92 L HN 0.217 nan 8.230 nan 0.000 0.495 93 T N -1.212 112.986 114.554 -0.592 0.000 3.155 93 T HA 0.016 4.365 4.350 -0.003 0.000 0.264 93 T C 0.441 175.099 174.700 -0.071 0.000 1.160 93 T CA -0.053 61.995 62.100 -0.087 0.000 1.075 93 T CB -0.592 68.375 68.868 0.165 0.000 0.921 93 T HN 0.556 nan 8.240 nan 0.000 0.533 94 C N 1.385 120.595 119.300 -0.151 0.000 2.522 94 C HA 0.573 5.032 4.460 -0.003 0.000 0.344 94 C C -0.223 174.703 174.990 -0.107 0.000 1.104 94 C CA -1.424 57.551 59.018 -0.072 0.000 1.317 94 C CB 0.327 28.064 27.740 -0.005 0.000 1.896 94 C HN 0.511 nan 8.230 nan 0.000 0.443 95 L N 4.349 125.527 121.223 -0.075 0.000 2.275 95 L HA 0.502 4.840 4.340 -0.003 0.000 0.288 95 L C -0.337 176.482 176.870 -0.087 0.000 1.046 95 L CA 0.514 55.308 54.840 -0.076 0.000 0.805 95 L CB 0.792 42.833 42.059 -0.029 0.000 1.193 95 L HN 0.747 nan 8.230 nan 0.000 0.426 96 N N 0.589 119.206 118.700 -0.140 0.000 2.591 96 N HA 0.118 4.857 4.740 -0.003 0.000 0.263 96 N C -0.112 175.257 175.510 -0.235 0.000 1.308 96 N CA -0.761 52.169 53.050 -0.199 0.000 0.837 96 N CB 1.451 39.752 38.487 -0.309 0.000 1.548 96 N HN 0.475 nan 8.380 nan 0.000 0.493 97 E N 0.403 120.463 120.200 -0.233 0.000 2.338 97 E HA -0.069 4.280 4.350 -0.003 0.000 0.197 97 E C 1.018 177.417 176.600 -0.334 0.000 1.007 97 E CA 0.938 57.246 56.400 -0.154 0.000 0.849 97 E CB 0.152 29.860 29.700 0.013 0.000 0.774 97 E HN 0.634 nan 8.360 nan 0.000 0.506 98 A N 0.446 122.803 122.820 -0.772 0.000 1.850 98 A HA -0.082 4.236 4.320 -0.003 0.000 0.212 98 A C 2.322 179.372 177.584 -0.889 0.000 1.208 98 A CA 1.257 52.590 52.037 -1.174 0.000 0.609 98 A CB -0.503 17.490 19.000 -1.679 0.000 0.860 98 A HN 0.288 nan 8.150 nan 0.000 0.448 99 S N 0.344 115.578 115.700 -0.776 0.000 2.351 99 S HA -0.172 4.297 4.470 -0.003 0.000 0.220 99 S C 1.806 176.263 174.600 -0.238 0.000 1.035 99 S CA 1.496 59.418 58.200 -0.463 0.000 1.031 99 S CB -1.111 61.930 63.200 -0.265 0.000 0.928 99 S HN 0.260 nan 8.310 nan 0.000 0.433 100 V N 2.614 122.404 119.914 -0.208 0.000 2.363 100 V HA -0.229 3.890 4.120 -0.003 0.000 0.254 100 V C 2.349 178.374 176.094 -0.115 0.000 1.074 100 V CA 2.063 64.284 62.300 -0.132 0.000 1.069 100 V CB -0.985 30.775 31.823 -0.105 0.000 0.659 100 V HN 0.465 nan 8.190 nan 0.000 0.455 101 L N -0.551 120.589 121.223 -0.140 0.000 2.007 101 L HA -0.129 4.210 4.340 -0.003 0.000 0.205 101 L C 2.395 179.229 176.870 -0.059 0.000 1.073 101 L CA 2.388 57.173 54.840 -0.092 0.000 0.744 101 L CB -1.254 40.772 42.059 -0.055 0.000 0.898 101 L HN 0.428 nan 8.230 nan 0.000 0.435 102 H N -0.220 118.715 119.070 -0.226 0.000 2.261 102 H HA -0.316 4.238 4.556 -0.003 0.000 0.290 102 H C 2.174 177.478 175.328 -0.039 0.000 1.081 102 H CA 2.353 58.318 56.048 -0.139 0.000 1.196 102 H CB -0.133 29.493 29.762 -0.227 0.000 1.350 102 H HN 0.518 nan 8.280 nan 0.000 0.498 103 N N 0.080 118.746 118.700 -0.056 0.000 2.064 103 N HA -0.216 4.522 4.740 -0.003 0.000 0.200 103 N C 2.310 177.768 175.510 -0.086 0.000 1.028 103 N CA 2.032 55.034 53.050 -0.079 0.000 0.880 103 N CB -0.382 38.081 38.487 -0.041 0.000 1.062 103 N HN 0.300 nan 8.380 nan 0.000 0.454 104 L N -0.197 120.974 121.223 -0.086 0.000 2.043 104 L HA -0.221 4.117 4.340 -0.003 0.000 0.212 104 L C 2.606 179.417 176.870 -0.099 0.000 1.075 104 L CA 1.374 56.153 54.840 -0.101 0.000 0.752 104 L CB -0.486 41.494 42.059 -0.132 0.000 0.891 104 L HN 0.291 nan 8.230 nan 0.000 0.432 105 R N 0.137 120.578 120.500 -0.098 0.000 2.080 105 R HA -0.201 4.137 4.340 -0.003 0.000 0.236 105 R C 2.201 178.491 176.300 -0.016 0.000 1.137 105 R CA 1.630 57.684 56.100 -0.076 0.000 0.943 105 R CB 0.002 30.317 30.300 0.025 0.000 0.846 105 R HN 0.204 nan 8.270 nan 0.000 0.431 106 E N 0.432 120.613 120.200 -0.031 0.000 1.997 106 E HA -0.195 4.153 4.350 -0.003 0.000 0.201 106 E C 1.957 178.594 176.600 0.062 0.000 1.011 106 E CA 1.881 58.300 56.400 0.032 0.000 0.847 106 E CB -0.358 29.300 29.700 -0.071 0.000 0.787 106 E HN 0.323 nan 8.360 nan 0.000 0.472 107 R N -0.273 120.243 120.500 0.025 0.000 2.165 107 R HA -0.274 4.064 4.340 -0.003 0.000 0.254 107 R C 2.449 178.788 176.300 0.066 0.000 1.153 107 R CA 1.843 57.969 56.100 0.044 0.000 0.971 107 R CB -1.054 29.256 30.300 0.018 0.000 0.878 107 R HN 0.284 nan 8.270 nan 0.000 0.449 108 Y N 1.165 121.385 120.300 -0.132 0.000 2.097 108 Y HA -0.220 4.328 4.550 -0.003 0.000 0.282 108 Y C 2.049 177.858 175.900 -0.152 0.000 1.152 108 Y CA 1.242 59.203 58.100 -0.231 0.000 1.136 108 Y CB -0.551 37.633 38.460 -0.460 0.000 0.975 108 Y HN -0.120 nan 8.280 nan 0.000 0.498 109 F N -0.218 119.650 119.950 -0.138 0.000 2.325 109 F HA -0.100 4.426 4.527 -0.003 0.000 0.299 109 F C 2.579 178.326 175.800 -0.087 0.000 1.090 109 F CA 1.413 59.291 58.000 -0.205 0.000 1.392 109 F CB -0.936 38.020 39.000 -0.073 0.000 1.053 109 F HN -0.041 nan 8.300 nan 0.000 0.521 110 S N -0.957 114.833 115.700 0.150 0.000 2.481 110 S HA 0.169 4.638 4.470 -0.003 0.000 0.231 110 S C 1.972 176.691 174.600 0.198 0.000 0.996 110 S CA 0.962 59.242 58.200 0.134 0.000 0.942 110 S CB -0.362 62.900 63.200 0.104 0.000 0.768 110 S HN 0.581 nan 8.310 nan 0.000 0.520 111 G N 0.419 109.336 108.800 0.196 0.000 2.192 111 G HA2 -0.158 3.800 3.960 -0.003 0.000 0.193 111 G HA3 -0.158 3.800 3.960 -0.003 0.000 0.193 111 G C -0.247 174.788 174.900 0.225 0.000 0.999 111 G CA -0.407 44.910 45.100 0.362 0.000 0.659 111 G HN 0.395 nan 8.290 nan 0.000 0.503 112 L N 1.691 123.007 121.223 0.155 0.000 2.295 112 L HA 0.725 5.064 4.340 -0.003 0.000 0.285 112 L C 1.730 178.653 176.870 0.088 0.000 1.035 112 L CA -1.062 53.848 54.840 0.116 0.000 0.806 112 L CB 1.118 43.231 42.059 0.090 0.000 1.214 112 L HN 0.187 nan 8.230 nan 0.000 0.426 113 I N -1.686 118.930 120.570 0.076 0.000 3.445 113 I HA 0.172 4.341 4.170 -0.003 0.000 0.288 113 I C 0.070 176.109 176.117 -0.129 0.000 1.198 113 I CA 0.110 61.392 61.300 -0.028 0.000 1.417 113 I CB 0.076 37.997 38.000 -0.132 0.000 1.205 113 I HN 0.318 nan 8.210 nan 0.000 0.448 114 Y N 3.670 123.899 120.300 -0.118 0.000 2.442 114 Y HA 0.414 4.963 4.550 -0.003 0.000 0.330 114 Y C 0.147 175.959 175.900 -0.148 0.000 1.129 114 Y CA 0.171 58.191 58.100 -0.134 0.000 1.365 114 Y CB 0.720 39.074 38.460 -0.178 0.000 1.233 114 Y HN 0.064 nan 8.280 nan 0.000 0.529 115 T N 2.769 117.329 114.554 0.009 0.000 2.933 115 T HA 0.356 4.705 4.350 -0.003 0.000 0.305 115 T C -1.373 173.363 174.700 0.059 0.000 1.092 115 T CA -0.918 61.146 62.100 -0.060 0.000 1.008 115 T CB 0.857 69.688 68.868 -0.061 0.000 1.102 115 T HN 0.145 nan 8.240 nan 0.000 0.469 116 Y N 1.821 122.086 120.300 -0.059 0.000 2.301 116 Y HA 0.542 5.090 4.550 -0.003 0.000 0.325 116 Y C 0.964 176.742 175.900 -0.203 0.000 1.203 116 Y CA -1.744 56.288 58.100 -0.113 0.000 1.255 116 Y CB 1.188 39.609 38.460 -0.066 0.000 1.232 116 Y HN 0.697 nan 8.280 nan 0.000 0.501 117 S N 0.478 116.048 115.700 -0.217 0.000 2.312 117 S HA 0.565 5.034 4.470 -0.003 0.000 0.173 117 S C 0.498 174.723 174.600 -0.625 0.000 1.488 117 S CA -0.444 57.477 58.200 -0.465 0.000 1.239 117 S CB 0.605 63.368 63.200 -0.727 0.000 1.215 117 S HN 1.250 nan 8.310 nan 0.000 0.438 118 G N 2.707 111.361 108.800 -0.244 0.000 2.557 118 G HA2 -0.345 3.613 3.960 -0.003 0.000 0.292 118 G HA3 -0.345 3.613 3.960 -0.003 0.000 0.292 118 G C 0.440 175.265 174.900 -0.126 0.000 1.162 118 G CA 0.500 45.526 45.100 -0.124 0.000 0.964 118 G HN 0.646 nan 8.290 nan 0.000 0.541 119 L N 1.007 122.228 121.223 -0.004 0.000 2.121 119 L HA 0.352 4.690 4.340 -0.003 0.000 0.200 119 L C 2.020 178.935 176.870 0.075 0.000 1.077 119 L CA 1.208 56.085 54.840 0.061 0.000 0.766 119 L CB -0.748 41.418 42.059 0.179 0.000 0.931 119 L HN 0.562 nan 8.230 nan 0.000 0.452 120 F N 0.001 119.994 119.950 0.071 0.000 2.426 120 F HA 0.416 4.942 4.527 -0.003 0.000 0.309 120 F C 0.184 176.019 175.800 0.059 0.000 1.246 120 F CA -2.283 55.785 58.000 0.113 0.000 1.229 120 F CB -0.284 38.843 39.000 0.212 0.000 1.255 120 F HN 0.039 nan 8.300 nan 0.000 0.558 121 C N 1.366 120.738 119.300 0.120 0.000 2.686 121 C HA 0.838 5.296 4.460 -0.003 0.000 0.318 121 C C -0.429 174.613 174.990 0.086 0.000 1.160 121 C CA -0.734 58.325 59.018 0.068 0.000 1.396 121 C CB 0.575 28.460 27.740 0.242 0.000 1.924 121 C HN 0.917 nan 8.230 nan 0.000 0.471 122 V N 3.623 123.544 119.914 0.012 0.000 3.083 122 V HA 0.626 4.744 4.120 -0.003 0.000 0.306 122 V C 0.201 176.226 176.094 -0.116 0.000 1.077 122 V CA -0.309 61.966 62.300 -0.043 0.000 1.073 122 V CB 1.551 33.329 31.823 -0.076 0.000 1.081 122 V HN 0.863 nan 8.190 nan 0.000 0.474 123 V N 3.329 123.113 119.914 -0.217 0.000 3.138 123 V HA 0.250 4.369 4.120 -0.003 0.000 0.307 123 V C -0.397 175.455 176.094 -0.403 0.000 0.985 123 V CA -0.328 61.730 62.300 -0.402 0.000 1.291 123 V CB 0.576 32.081 31.823 -0.530 0.000 0.933 123 V HN 0.700 nan 8.190 nan 0.000 0.504 124 I N 2.781 123.129 120.570 -0.369 0.000 2.828 124 I HA -0.011 4.157 4.170 -0.003 0.000 0.292 124 I C 1.147 177.018 176.117 -0.409 0.000 1.206 124 I CA 0.761 61.799 61.300 -0.437 0.000 1.420 124 I CB -0.019 37.605 38.000 -0.627 0.000 1.368 124 I HN 0.455 nan 8.210 nan 0.000 0.556 125 N N 9.901 128.344 118.700 -0.429 0.000 2.292 125 N HA -0.052 4.686 4.740 -0.003 0.000 0.258 125 N C -1.517 173.823 175.510 -0.285 0.000 1.261 125 N CA -1.017 51.771 53.050 -0.436 0.000 0.845 125 N CB 0.957 39.031 38.487 -0.687 0.000 1.064 125 N HN 0.332 nan 8.380 nan 0.000 0.471 126 P HA -0.010 nan 4.420 nan 0.000 0.218 126 P C -0.118 177.269 177.300 0.145 0.000 1.151 126 P CA 0.766 63.916 63.100 0.082 0.000 0.850 126 P CB 0.459 32.164 31.700 0.010 0.000 0.801 127 Y N -1.703 118.617 120.300 0.034 0.000 4.936 127 Y HA -0.194 4.355 4.550 -0.003 0.000 0.260 127 Y C 0.531 176.444 175.900 0.021 0.000 0.928 127 Y CA 0.366 58.482 58.100 0.027 0.000 1.869 127 Y CB -2.083 36.402 38.460 0.041 0.000 1.344 127 Y HN 0.112 nan 8.280 nan 0.000 0.521 128 K N 0.623 121.116 120.400 0.155 0.000 2.281 128 K HA 0.525 4.844 4.320 -0.003 0.000 0.242 128 K C -0.285 176.338 176.600 0.039 0.000 0.971 128 K CA -0.678 55.654 56.287 0.076 0.000 0.834 128 K CB 1.213 33.730 32.500 0.028 0.000 1.181 128 K HN -0.049 nan 8.250 nan 0.000 0.435 129 Q N 2.909 122.727 119.800 0.030 0.000 3.184 129 Q HA 0.229 4.567 4.340 -0.003 0.000 0.288 129 Q C -0.398 175.588 176.000 -0.023 0.000 1.412 129 Q CA 0.017 55.842 55.803 0.037 0.000 0.991 129 Q CB -0.170 28.601 28.738 0.055 0.000 1.688 129 Q HN 0.335 nan 8.270 nan 0.000 0.554 130 L N 2.202 123.360 121.223 -0.108 0.000 2.482 130 L HA 0.138 4.477 4.340 -0.003 0.000 0.273 130 L C -1.590 175.202 176.870 -0.130 0.000 1.228 130 L CA -1.314 53.340 54.840 -0.310 0.000 0.827 130 L CB 0.059 41.865 42.059 -0.422 0.000 1.099 130 L HN 0.324 nan 8.230 nan 0.000 0.494 131 P HA 0.247 nan 4.420 nan 0.000 0.201 131 P C -0.079 177.210 177.300 -0.019 0.000 1.882 131 P CA -0.068 63.046 63.100 0.023 0.000 1.129 131 P CB -0.104 31.665 31.700 0.115 0.000 1.794 132 I N -2.345 118.090 120.570 -0.226 0.000 3.621 132 I HA 0.433 4.601 4.170 -0.003 0.000 0.325 132 I C -1.213 174.638 176.117 -0.443 0.000 1.554 132 I CA -0.785 60.329 61.300 -0.311 0.000 1.053 132 I CB 0.200 37.980 38.000 -0.366 0.000 1.302 132 I HN -0.216 nan 8.210 nan 0.000 0.518 133 Y N 1.367 121.782 120.300 0.190 0.000 2.349 133 Y HA 0.732 5.281 4.550 -0.003 0.000 0.324 133 Y C 0.101 176.187 175.900 0.310 0.000 1.005 133 Y CA -1.015 57.277 58.100 0.321 0.000 1.240 133 Y CB 1.582 40.185 38.460 0.238 0.000 1.117 133 Y HN 0.279 nan 8.280 nan 0.000 0.463 134 S N 1.133 117.105 115.700 0.452 0.000 2.565 134 S HA 0.286 4.755 4.470 -0.003 0.000 0.274 134 S C 0.347 175.055 174.600 0.181 0.000 1.144 134 S CA -0.708 57.652 58.200 0.267 0.000 0.849 134 S CB 1.480 64.799 63.200 0.199 0.000 1.103 134 S HN 0.566 nan 8.310 nan 0.000 0.455 135 E N 2.152 122.430 120.200 0.130 0.000 2.108 135 E HA -0.226 4.122 4.350 -0.003 0.000 0.203 135 E C 1.809 178.451 176.600 0.069 0.000 1.022 135 E CA 2.327 58.774 56.400 0.079 0.000 0.823 135 E CB -0.175 29.609 29.700 0.139 0.000 0.744 135 E HN 0.632 nan 8.360 nan 0.000 0.456 136 K N 0.240 120.696 120.400 0.092 0.000 2.000 136 K HA -0.221 4.098 4.320 -0.003 0.000 0.218 136 K C 1.972 178.622 176.600 0.084 0.000 1.053 136 K CA 2.179 58.513 56.287 0.078 0.000 0.946 136 K CB -0.352 32.198 32.500 0.083 0.000 0.723 136 K HN 0.196 nan 8.250 nan 0.000 0.446 137 I N 1.536 122.187 120.570 0.135 0.000 2.454 137 I HA -0.239 3.929 4.170 -0.003 0.000 0.254 137 I C 2.372 178.630 176.117 0.234 0.000 1.156 137 I CA 0.765 62.181 61.300 0.193 0.000 1.433 137 I CB -0.763 37.394 38.000 0.261 0.000 1.082 137 I HN 0.246 nan 8.210 nan 0.000 0.432 138 I N 1.158 121.772 120.570 0.073 0.000 2.142 138 I HA -0.271 3.897 4.170 -0.003 0.000 0.240 138 I C 2.185 178.253 176.117 -0.081 0.000 1.078 138 I CA 1.658 62.859 61.300 -0.166 0.000 1.343 138 I CB -1.185 36.589 38.000 -0.378 0.000 1.046 138 I HN 0.261 nan 8.210 nan 0.000 0.405 139 D N 0.109 120.478 120.400 -0.052 0.000 2.264 139 D HA -0.134 4.505 4.640 -0.003 0.000 0.208 139 D C 2.319 178.621 176.300 0.003 0.000 0.966 139 D CA 0.769 54.749 54.000 -0.032 0.000 0.864 139 D CB 0.087 40.884 40.800 -0.006 0.000 0.933 139 D HN 0.321 nan 8.370 nan 0.000 0.499 140 M N -0.633 118.977 119.600 0.016 0.000 2.117 140 M HA -0.199 4.280 4.480 -0.003 0.000 0.262 140 M C 1.634 177.870 176.300 -0.106 0.000 1.065 140 M CA 1.420 56.682 55.300 -0.062 0.000 1.114 140 M CB -0.038 32.489 32.600 -0.122 0.000 1.361 140 M HN 0.033 nan 8.290 nan 0.000 0.408 141 Y N -0.363 119.972 120.300 0.059 0.000 2.490 141 Y HA 0.065 4.614 4.550 -0.003 0.000 0.285 141 Y C 0.841 176.823 175.900 0.137 0.000 1.117 141 Y CA 0.403 58.569 58.100 0.109 0.000 1.262 141 Y CB -0.067 38.510 38.460 0.195 0.000 1.043 141 Y HN 0.037 nan 8.280 nan 0.000 0.553 142 K N 0.579 121.105 120.400 0.209 0.000 2.405 142 K HA 0.090 4.409 4.320 -0.003 0.000 0.273 142 K C 1.230 177.893 176.600 0.105 0.000 1.116 142 K CA 1.193 57.546 56.287 0.109 0.000 1.155 142 K CB -0.466 32.015 32.500 -0.032 0.000 0.858 142 K HN 0.506 nan 8.250 nan 0.000 0.477 143 G N 3.182 112.063 108.800 0.136 0.000 2.396 143 G HA2 -0.326 3.633 3.960 -0.003 0.000 0.242 143 G HA3 -0.326 3.633 3.960 -0.003 0.000 0.242 143 G C -0.076 174.869 174.900 0.074 0.000 1.069 143 G CA 0.327 45.480 45.100 0.088 0.000 0.633 143 G HN 0.572 nan 8.290 nan 0.000 0.517 144 K N 1.856 122.308 120.400 0.086 0.000 2.491 144 K HA 0.370 4.689 4.320 -0.003 0.000 0.279 144 K C 0.995 177.624 176.600 0.048 0.000 1.026 144 K CA 0.414 56.734 56.287 0.055 0.000 1.070 144 K CB 0.580 33.104 32.500 0.040 0.000 0.887 144 K HN 0.610 nan 8.250 nan 0.000 0.481 145 K N 2.348 122.725 120.400 -0.038 0.000 2.251 145 K HA -0.097 4.221 4.320 -0.003 0.000 0.247 145 K C 0.956 177.500 176.600 -0.093 0.000 1.098 145 K CA 0.710 56.920 56.287 -0.128 0.000 0.800 145 K CB 0.332 32.624 32.500 -0.348 0.000 1.086 145 K HN 0.416 nan 8.250 nan 0.000 0.520 146 R N -0.643 119.761 120.500 -0.161 0.000 2.075 146 R HA -0.035 4.303 4.340 -0.003 0.000 0.226 146 R C 2.069 178.429 176.300 0.101 0.000 1.114 146 R CA 2.033 58.139 56.100 0.010 0.000 0.972 146 R CB -0.672 29.640 30.300 0.020 0.000 0.869 146 R HN 0.733 nan 8.270 nan 0.000 0.437 147 H N -0.400 118.751 119.070 0.135 0.000 2.547 147 H HA 0.241 4.795 4.556 -0.003 0.000 0.272 147 H C 0.710 176.091 175.328 0.089 0.000 0.971 147 H CA 0.199 56.318 56.048 0.117 0.000 1.245 147 H CB -0.292 29.527 29.762 0.095 0.000 1.440 147 H HN 0.095 nan 8.280 nan 0.000 0.540 148 E N 0.837 121.097 120.200 0.100 0.000 2.533 148 E HA -0.005 4.344 4.350 -0.003 0.000 0.203 148 E C 0.057 176.704 176.600 0.079 0.000 1.101 148 E CA 0.510 56.996 56.400 0.144 0.000 0.894 148 E CB -0.004 29.720 29.700 0.040 0.000 0.843 148 E HN 0.516 nan 8.360 nan 0.000 0.552 149 M N -0.180 119.466 119.600 0.076 0.000 2.833 149 M HA 0.287 4.766 4.480 -0.003 0.000 0.270 149 M C -2.796 173.509 176.300 0.008 0.000 1.209 149 M CA -1.814 53.468 55.300 -0.030 0.000 0.826 149 M CB 2.212 34.701 32.600 -0.184 0.000 1.657 149 M HN -0.289 nan 8.290 nan 0.000 0.492 150 P HA 0.407 nan 4.420 nan 0.000 0.284 150 P C -2.780 174.465 177.300 -0.092 0.000 1.258 150 P CA -1.363 61.635 63.100 -0.170 0.000 0.824 150 P CB -0.445 31.016 31.700 -0.398 0.000 1.038 151 P HA -0.035 nan 4.420 nan 0.000 0.260 151 P C -0.178 176.993 177.300 -0.215 0.000 1.172 151 P CA 1.269 64.040 63.100 -0.549 0.000 0.760 151 P CB 0.083 31.261 31.700 -0.871 0.000 0.773 152 H N 2.578 121.415 119.070 -0.389 0.000 3.037 152 H HA 0.132 4.686 4.556 -0.003 0.000 0.336 152 H C 0.286 175.128 175.328 -0.810 0.000 1.323 152 H CA -0.616 54.898 56.048 -0.891 0.000 1.159 152 H CB 1.576 30.773 29.762 -0.942 0.000 1.882 152 H HN 0.143 nan 8.280 nan 0.000 0.535 153 I N 2.848 122.511 120.570 -1.511 0.000 2.179 153 I HA -0.235 3.933 4.170 -0.003 0.000 0.242 153 I C 1.549 177.545 176.117 -0.202 0.000 1.088 153 I CA 1.405 62.393 61.300 -0.521 0.000 1.357 153 I CB -0.726 37.074 38.000 -0.334 0.000 1.051 153 I HN 0.562 nan 8.210 nan 0.000 0.409 154 Y N 1.083 121.370 120.300 -0.022 0.000 2.348 154 Y HA -0.222 4.327 4.550 -0.003 0.000 0.285 154 Y C 2.518 178.048 175.900 -0.617 0.000 1.173 154 Y CA 0.685 58.581 58.100 -0.340 0.000 1.263 154 Y CB -1.750 36.610 38.460 -0.166 0.000 0.974 154 Y HN 0.308 nan 8.280 nan 0.000 0.547 155 A N -0.109 122.521 122.820 -0.318 0.000 1.874 155 A HA -0.070 4.249 4.320 -0.003 0.000 0.214 155 A C 2.291 179.803 177.584 -0.119 0.000 1.189 155 A CA 1.200 53.129 52.037 -0.182 0.000 0.615 155 A CB -0.897 18.073 19.000 -0.050 0.000 0.830 155 A HN 0.350 nan 8.150 nan 0.000 0.443 156 I N 0.242 120.753 120.570 -0.098 0.000 2.208 156 I HA -0.293 3.876 4.170 -0.003 0.000 0.245 156 I C 2.934 178.979 176.117 -0.121 0.000 1.097 156 I CA 1.129 62.381 61.300 -0.081 0.000 1.363 156 I CB -0.311 37.669 38.000 -0.035 0.000 1.051 156 I HN 0.339 nan 8.210 nan 0.000 0.413 157 A N 0.099 122.797 122.820 -0.204 0.000 1.865 157 A HA -0.306 4.012 4.320 -0.003 0.000 0.217 157 A C 2.229 179.681 177.584 -0.219 0.000 1.191 157 A CA 2.244 54.133 52.037 -0.248 0.000 0.623 157 A CB -0.805 17.936 19.000 -0.432 0.000 0.826 157 A HN 0.490 nan 8.150 nan 0.000 0.444 158 D N -1.144 119.050 120.400 -0.344 0.000 2.144 158 D HA -0.110 4.529 4.640 -0.003 0.000 0.200 158 D C 1.763 178.081 176.300 0.030 0.000 0.978 158 D CA 1.721 55.700 54.000 -0.036 0.000 0.833 158 D CB -0.009 40.838 40.800 0.079 0.000 0.961 158 D HN 0.382 nan 8.370 nan 0.000 0.470 159 T N 0.420 114.955 114.554 -0.032 0.000 2.788 159 T HA -0.095 4.254 4.350 -0.003 0.000 0.268 159 T C 1.910 176.581 174.700 -0.048 0.000 1.044 159 T CA 1.442 63.521 62.100 -0.035 0.000 1.139 159 T CB -0.142 68.691 68.868 -0.057 0.000 0.867 159 T HN 0.243 nan 8.240 nan 0.000 0.454 160 A N 0.768 123.561 122.820 -0.045 0.000 1.843 160 A HA 0.012 4.331 4.320 -0.003 0.000 0.213 160 A C 2.055 179.602 177.584 -0.062 0.000 1.202 160 A CA 1.227 53.231 52.037 -0.055 0.000 0.607 160 A CB -1.234 17.739 19.000 -0.045 0.000 0.847 160 A HN 0.537 nan 8.150 nan 0.000 0.445 161 Y N 0.976 121.204 120.300 -0.120 0.000 2.348 161 Y HA -0.291 4.258 4.550 -0.003 0.000 0.285 161 Y C 2.294 178.072 175.900 -0.203 0.000 1.173 161 Y CA 2.282 60.273 58.100 -0.183 0.000 1.263 161 Y CB -0.256 38.102 38.460 -0.170 0.000 0.974 161 Y HN 0.381 nan 8.280 nan 0.000 0.547 162 R N -0.921 119.382 120.500 -0.328 0.000 2.074 162 R HA -0.000 4.338 4.340 -0.003 0.000 0.218 162 R C 2.606 178.733 176.300 -0.289 0.000 1.137 162 R CA 1.235 57.113 56.100 -0.370 0.000 0.998 162 R CB -0.961 29.253 30.300 -0.144 0.000 0.895 162 R HN 0.142 nan 8.270 nan 0.000 0.442 163 S N 0.685 116.276 115.700 -0.181 0.000 2.400 163 S HA -0.290 4.178 4.470 -0.003 0.000 0.234 163 S C 1.828 176.327 174.600 -0.168 0.000 1.049 163 S CA 1.918 60.033 58.200 -0.140 0.000 1.039 163 S CB -0.371 62.766 63.200 -0.105 0.000 0.856 163 S HN 0.515 nan 8.310 nan 0.000 0.465 164 M N 0.594 120.064 119.600 -0.217 0.000 2.059 164 M HA -0.133 4.345 4.480 -0.003 0.000 0.259 164 M C 1.688 177.857 176.300 -0.220 0.000 1.072 164 M CA 1.889 57.065 55.300 -0.208 0.000 1.117 164 M CB -0.472 31.995 32.600 -0.222 0.000 1.320 164 M HN 0.309 nan 8.290 nan 0.000 0.408 165 L N 0.493 121.516 121.223 -0.333 0.000 2.549 165 L HA -0.146 4.193 4.340 -0.003 0.000 0.229 165 L C 2.579 179.338 176.870 -0.185 0.000 1.158 165 L CA 0.511 55.185 54.840 -0.277 0.000 0.842 165 L CB -0.708 41.112 42.059 -0.398 0.000 0.952 165 L HN 0.442 nan 8.230 nan 0.000 0.452 166 Q N 0.338 120.037 119.800 -0.168 0.000 2.063 166 Q HA -0.077 4.261 4.340 -0.003 0.000 0.194 166 Q C 1.351 177.297 176.000 -0.089 0.000 0.974 166 Q CA 1.530 57.263 55.803 -0.116 0.000 0.827 166 Q CB -0.102 28.574 28.738 -0.104 0.000 0.902 166 Q HN 0.623 nan 8.270 nan 0.000 0.462 167 D N -0.639 119.709 120.400 -0.086 0.000 2.342 167 D HA 0.078 4.717 4.640 -0.003 0.000 0.221 167 D C -0.648 175.613 176.300 -0.065 0.000 1.101 167 D CA -0.283 53.676 54.000 -0.068 0.000 0.837 167 D CB -0.186 40.578 40.800 -0.061 0.000 0.938 167 D HN 0.028 nan 8.370 nan 0.000 0.508 168 R N 0.736 121.191 120.500 -0.074 0.000 2.709 168 R HA -0.215 4.124 4.340 -0.003 0.000 0.275 168 R C -0.543 175.725 176.300 -0.053 0.000 0.947 168 R CA 0.961 57.025 56.100 -0.060 0.000 0.784 168 R CB -1.922 28.354 30.300 -0.039 0.000 2.000 168 R HN 0.591 nan 8.270 nan 0.000 0.517 169 E N 2.098 122.255 120.200 -0.072 0.000 2.593 169 E HA 0.031 4.380 4.350 -0.003 0.000 0.362 169 E C -0.990 175.537 176.600 -0.122 0.000 0.962 169 E CA -0.630 55.725 56.400 -0.074 0.000 0.760 169 E CB 0.806 30.466 29.700 -0.065 0.000 1.521 169 E HN 0.261 nan 8.360 nan 0.000 0.384 170 D N 3.358 123.661 120.400 -0.162 0.000 2.777 170 D HA -0.135 4.503 4.640 -0.003 0.000 0.218 170 D C -0.001 176.090 176.300 -0.350 0.000 1.153 170 D CA 1.224 55.006 54.000 -0.363 0.000 0.846 170 D CB 0.653 41.069 40.800 -0.640 0.000 1.209 170 D HN 0.485 nan 8.370 nan 0.000 0.517 171 Q N -0.109 119.444 119.800 -0.411 0.000 2.495 171 Q HA 0.554 4.892 4.340 -0.003 0.000 0.287 171 Q C -0.838 175.025 176.000 -0.229 0.000 1.078 171 Q CA -0.943 54.706 55.803 -0.257 0.000 0.793 171 Q CB 2.231 30.870 28.738 -0.164 0.000 1.459 171 Q HN 0.512 nan 8.270 nan 0.000 0.422 172 S N -0.140 115.472 115.700 -0.147 0.000 2.536 172 S HA 0.751 5.220 4.470 -0.003 0.000 0.287 172 S C -0.686 173.827 174.600 -0.144 0.000 1.101 172 S CA -0.724 57.415 58.200 -0.102 0.000 0.950 172 S CB 0.963 64.146 63.200 -0.029 0.000 1.056 172 S HN 0.527 nan 8.310 nan 0.000 0.481 173 I N 2.711 123.208 120.570 -0.121 0.000 2.390 173 I HA 0.316 4.484 4.170 -0.003 0.000 0.283 173 I C -1.085 174.966 176.117 -0.110 0.000 1.016 173 I CA -0.592 60.635 61.300 -0.122 0.000 1.151 173 I CB 1.196 39.151 38.000 -0.075 0.000 1.293 173 I HN 0.533 nan 8.210 nan 0.000 0.458 174 L N 5.966 127.089 121.223 -0.166 0.000 2.264 174 L HA 0.419 4.757 4.340 -0.003 0.000 0.287 174 L C -0.520 176.367 176.870 0.028 0.000 1.039 174 L CA -0.524 54.270 54.840 -0.077 0.000 0.829 174 L CB 0.796 42.764 42.059 -0.153 0.000 1.211 174 L HN 0.572 nan 8.230 nan 0.000 0.427 175 C N 2.484 121.801 119.300 0.027 0.000 2.322 175 C HA 0.378 4.837 4.460 -0.003 0.000 0.343 175 C C 1.514 176.526 174.990 0.036 0.000 1.190 175 C CA -0.534 58.502 59.018 0.029 0.000 1.704 175 C CB -0.379 27.358 27.740 -0.005 0.000 2.293 175 C HN 0.900 nan 8.230 nan 0.000 0.523 176 T N 1.257 115.837 114.554 0.043 0.000 3.057 176 T HA 0.767 5.115 4.350 -0.003 0.000 0.312 176 T C 0.453 175.143 174.700 -0.016 0.000 1.227 176 T CA 0.502 62.613 62.100 0.017 0.000 0.929 176 T CB 0.429 69.281 68.868 -0.027 0.000 1.986 176 T HN 2.007 nan 8.240 nan 0.000 0.579 177 G N 0.780 109.564 108.800 -0.026 0.000 2.785 177 G HA2 0.105 4.064 3.960 -0.003 0.000 0.686 177 G HA3 0.105 4.064 3.960 -0.003 0.000 0.686 177 G C -0.486 174.406 174.900 -0.013 0.000 1.155 177 G CA -0.217 44.852 45.100 -0.051 0.000 0.760 177 G HN 1.211 nan 8.290 nan 0.000 0.624 178 E N 0.464 120.643 120.200 -0.035 0.000 2.425 178 E HA 0.481 4.829 4.350 -0.003 0.000 0.258 178 E C 0.929 177.547 176.600 0.029 0.000 1.151 178 E CA 0.072 56.481 56.400 0.016 0.000 0.958 178 E CB 0.703 30.385 29.700 -0.030 0.000 0.968 178 E HN 1.298 nan 8.360 nan 0.000 0.451 179 S N 1.281 117.023 115.700 0.069 0.000 2.575 179 S HA 0.287 4.755 4.470 -0.003 0.000 0.295 179 S C 1.096 175.718 174.600 0.037 0.000 1.267 179 S CA 0.716 58.940 58.200 0.040 0.000 1.074 179 S CB -0.777 62.436 63.200 0.022 0.000 0.829 179 S HN 1.130 nan 8.310 nan 0.000 0.497 180 G N 3.867 112.679 108.800 0.020 0.000 2.279 180 G HA2 -0.245 3.714 3.960 -0.003 0.000 0.223 180 G HA3 -0.245 3.714 3.960 -0.003 0.000 0.223 180 G C 1.014 175.886 174.900 -0.045 0.000 1.015 180 G CA 0.275 45.394 45.100 0.031 0.000 0.621 180 G HN 1.691 nan 8.290 nan 0.000 0.506 181 A N 0.701 123.472 122.820 -0.082 0.000 2.285 181 A HA 0.432 4.751 4.320 -0.003 0.000 0.214 181 A C 2.649 180.128 177.584 -0.175 0.000 1.188 181 A CA 2.226 54.168 52.037 -0.159 0.000 0.707 181 A CB -0.964 17.951 19.000 -0.142 0.000 0.771 181 A HN 2.657 nan 8.150 nan 0.000 0.488 182 G N -1.504 107.219 108.800 -0.130 0.000 2.131 182 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.223 182 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.223 182 G C 0.744 175.584 174.900 -0.100 0.000 0.990 182 G CA 0.736 45.760 45.100 -0.127 0.000 0.671 182 G HN 0.473 nan 8.290 nan 0.000 0.521 183 K N -0.083 120.270 120.400 -0.077 0.000 2.089 183 K HA -0.092 4.227 4.320 -0.003 0.000 0.210 183 K C 2.721 179.287 176.600 -0.057 0.000 1.048 183 K CA 2.453 58.705 56.287 -0.059 0.000 0.926 183 K CB -0.312 32.163 32.500 -0.043 0.000 0.714 183 K HN 0.492 nan 8.250 nan 0.000 0.448 184 T N 0.693 115.208 114.554 -0.064 0.000 2.612 184 T HA -0.103 4.246 4.350 -0.003 0.000 0.259 184 T C 1.416 176.078 174.700 -0.063 0.000 1.065 184 T CA 1.067 63.130 62.100 -0.063 0.000 1.167 184 T CB -0.253 68.573 68.868 -0.069 0.000 0.863 184 T HN 0.203 nan 8.240 nan 0.000 0.407 185 E N 1.800 121.958 120.200 -0.071 0.000 2.119 185 E HA -0.243 4.106 4.350 -0.003 0.000 0.221 185 E C 2.040 178.579 176.600 -0.103 0.000 1.062 185 E CA 1.325 57.670 56.400 -0.091 0.000 0.894 185 E CB -0.823 28.816 29.700 -0.101 0.000 0.785 185 E HN 0.504 nan 8.360 nan 0.000 0.472 186 N N 0.029 118.676 118.700 -0.088 0.000 2.405 186 N HA -0.125 4.613 4.740 -0.003 0.000 0.189 186 N C 1.597 177.084 175.510 -0.039 0.000 1.021 186 N CA 1.301 54.318 53.050 -0.055 0.000 0.891 186 N CB -0.091 38.373 38.487 -0.038 0.000 0.955 186 N HN 0.207 nan 8.380 nan 0.000 0.443 187 T N 0.819 115.346 114.554 -0.044 0.000 2.939 187 T HA 0.045 4.393 4.350 -0.003 0.000 0.254 187 T C 1.807 176.489 174.700 -0.030 0.000 1.041 187 T CA 0.499 62.579 62.100 -0.033 0.000 1.142 187 T CB 0.177 69.025 68.868 -0.034 0.000 0.874 187 T HN 0.188 nan 8.240 nan 0.000 0.452 188 K N 1.137 121.511 120.400 -0.043 0.000 2.152 188 K HA -0.079 4.239 4.320 -0.003 0.000 0.206 188 K C 2.263 178.849 176.600 -0.022 0.000 1.048 188 K CA 0.873 57.135 56.287 -0.042 0.000 0.933 188 K CB 0.011 32.477 32.500 -0.056 0.000 0.721 188 K HN 0.202 nan 8.250 nan 0.000 0.447 189 K N 0.681 121.066 120.400 -0.025 0.000 1.991 189 K HA -0.063 4.255 4.320 -0.003 0.000 0.207 189 K C 2.239 178.939 176.600 0.166 0.000 1.045 189 K CA 0.913 57.247 56.287 0.078 0.000 0.937 189 K CB -0.743 31.751 32.500 -0.011 0.000 0.720 189 K HN -0.049 nan 8.250 nan 0.000 0.438 190 V N 2.652 122.621 119.914 0.091 0.000 2.363 190 V HA -0.271 3.847 4.120 -0.003 0.000 0.254 190 V C 2.387 178.527 176.094 0.076 0.000 1.074 190 V CA 1.734 64.075 62.300 0.069 0.000 1.069 190 V CB -0.584 31.245 31.823 0.011 0.000 0.659 190 V HN 0.242 nan 8.190 nan 0.000 0.455 191 I N -0.525 120.068 120.570 0.040 0.000 2.277 191 I HA -0.229 3.940 4.170 -0.003 0.000 0.243 191 I C 2.641 178.765 176.117 0.012 0.000 1.094 191 I CA 1.639 62.947 61.300 0.013 0.000 1.393 191 I CB -0.648 37.336 38.000 -0.027 0.000 1.078 191 I HN 0.403 nan 8.210 nan 0.000 0.417 192 Q N 1.054 120.868 119.800 0.023 0.000 2.096 192 Q HA -0.308 4.030 4.340 -0.003 0.000 0.208 192 Q C 2.361 178.360 176.000 -0.001 0.000 0.993 192 Q CA 2.362 58.169 55.803 0.006 0.000 0.862 192 Q CB -0.409 28.373 28.738 0.074 0.000 0.915 192 Q HN 0.536 nan 8.270 nan 0.000 0.416 193 Y N 0.619 120.848 120.300 -0.118 0.000 2.084 193 Y HA -0.193 4.355 4.550 -0.003 0.000 0.279 193 Y C 2.035 177.812 175.900 -0.205 0.000 1.119 193 Y CA 1.722 59.670 58.100 -0.253 0.000 1.101 193 Y CB -0.609 37.718 38.460 -0.221 0.000 0.989 193 Y HN 0.147 nan 8.280 nan 0.000 0.484 194 L N 0.450 121.809 121.223 0.227 0.000 2.263 194 L HA -0.248 4.091 4.340 -0.003 0.000 0.216 194 L C 2.481 179.306 176.870 -0.075 0.000 1.111 194 L CA 1.458 56.316 54.840 0.030 0.000 0.773 194 L CB -0.753 41.359 42.059 0.088 0.000 0.906 194 L HN 0.440 nan 8.230 nan 0.000 0.439 195 A N -1.900 120.880 122.820 -0.067 0.000 2.119 195 A HA -0.049 4.269 4.320 -0.003 0.000 0.217 195 A C 2.260 179.815 177.584 -0.048 0.000 1.153 195 A CA 1.601 53.596 52.037 -0.070 0.000 0.692 195 A CB -0.154 18.764 19.000 -0.137 0.000 0.799 195 A HN 0.243 nan 8.150 nan 0.000 0.458 196 V N -1.635 118.179 119.914 -0.167 0.000 3.090 196 V HA -0.004 4.114 4.120 -0.003 0.000 0.237 196 V C 2.111 177.970 176.094 -0.392 0.000 1.209 196 V CA 1.117 63.224 62.300 -0.320 0.000 1.209 196 V CB 0.482 31.991 31.823 -0.522 0.000 0.971 196 V HN 0.190 nan 8.190 nan 0.000 0.477 197 V N 0.852 120.470 119.914 -0.494 0.000 2.759 197 V HA 0.005 4.123 4.120 -0.003 0.000 0.256 197 V C 2.153 177.984 176.094 -0.439 0.000 1.080 197 V CA 1.904 63.895 62.300 -0.515 0.000 1.101 197 V CB -0.256 31.094 31.823 -0.789 0.000 0.698 197 V HN 0.583 nan 8.190 nan 0.000 0.477 198 A N -0.565 122.001 122.820 -0.424 0.000 2.456 198 A HA 0.297 4.615 4.320 -0.003 0.000 0.237 198 A C 1.320 178.776 177.584 -0.212 0.000 1.217 198 A CA 0.599 52.362 52.037 -0.455 0.000 0.962 198 A CB 0.111 18.679 19.000 -0.719 0.000 1.079 198 A HN 0.501 nan 8.150 nan 0.000 0.536 199 S N -0.198 115.437 115.700 -0.110 0.000 2.596 199 S HA 0.397 4.865 4.470 -0.003 0.000 0.260 199 S C 0.382 175.019 174.600 0.061 0.000 1.336 199 S CA 0.389 58.600 58.200 0.019 0.000 0.993 199 S CB 0.808 64.021 63.200 0.022 0.000 0.923 199 S HN 0.316 nan 8.310 nan 0.000 0.567 200 S N 0.811 116.579 115.700 0.114 0.000 2.565 200 S HA 0.433 4.902 4.470 -0.003 0.000 0.290 200 S C -0.406 174.144 174.600 -0.083 0.000 1.150 200 S CA -0.849 57.337 58.200 -0.023 0.000 1.058 200 S CB 0.114 63.282 63.200 -0.053 0.000 1.032 200 S HN 0.841 nan 8.310 nan 0.000 0.510 201 H N 1.326 120.477 119.070 0.135 0.000 2.525 201 H HA 0.414 4.968 4.556 -0.003 0.000 0.340 201 H C -0.325 175.042 175.328 0.065 0.000 1.168 201 H CA -0.956 55.157 56.048 0.110 0.000 1.247 201 H CB 1.000 30.834 29.762 0.121 0.000 1.568 201 H HN 0.482 nan 8.280 nan 0.000 0.536 202 K N 1.096 121.624 120.400 0.214 0.000 2.911 202 K HA 0.187 4.505 4.320 -0.003 0.000 0.239 202 K C 0.651 177.302 176.600 0.084 0.000 1.090 202 K CA 0.552 56.910 56.287 0.117 0.000 1.225 202 K CB -0.645 31.903 32.500 0.079 0.000 1.087 202 K HN 0.953 nan 8.250 nan 0.000 0.464 203 G N 0.533 109.398 108.800 0.108 0.000 2.848 203 G HA2 -0.280 3.679 3.960 -0.003 0.000 0.246 203 G HA3 -0.280 3.679 3.960 -0.003 0.000 0.246 203 G C -1.174 173.661 174.900 -0.108 0.000 1.374 203 G CA -0.336 44.756 45.100 -0.012 0.000 0.982 203 G HN 0.368 nan 8.290 nan 0.000 0.563 212 G N 3.612 112.478 108.800 0.110 0.000 2.614 212 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.303 212 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.303 212 G C -1.482 173.509 174.900 0.150 0.000 1.270 212 G CA 0.306 45.487 45.100 0.136 0.000 0.988 212 G HN 0.538 nan 8.290 nan 0.000 0.551 213 P HA 0.119 nan 4.420 nan 0.000 0.234 213 P C 0.635 178.056 177.300 0.201 0.000 1.167 213 P CA 1.027 64.243 63.100 0.193 0.000 0.763 213 P CB -0.139 31.664 31.700 0.172 0.000 0.835 214 S N 0.896 116.682 115.700 0.144 0.000 2.589 214 S HA 0.212 4.680 4.470 -0.003 0.000 0.306 214 S C -0.236 174.437 174.600 0.122 0.000 1.221 214 S CA 0.650 58.913 58.200 0.105 0.000 1.159 214 S CB -1.234 61.998 63.200 0.053 0.000 0.990 214 S HN 0.140 nan 8.310 nan 0.000 0.514 215 F N 2.039 121.916 119.950 -0.122 0.000 2.654 215 F HA 0.194 4.720 4.527 -0.002 0.000 0.315 215 F C -0.572 174.992 175.800 -0.394 0.000 1.042 215 F CA -0.907 56.904 58.000 -0.314 0.000 1.048 215 F CB 0.584 39.265 39.000 -0.531 0.000 1.287 215 F HN 0.338 nan 8.300 nan 0.000 0.501 216 S N 5.628 121.337 115.700 0.014 0.000 2.399 216 S HA 0.585 5.053 4.470 -0.003 0.000 0.301 216 S C -0.730 174.006 174.600 0.227 0.000 1.093 216 S CA -0.293 57.972 58.200 0.109 0.000 1.077 216 S CB -0.111 63.103 63.200 0.022 0.000 0.980 216 S HN 0.427 nan 8.310 nan 0.000 0.494 217 Y N 2.877 123.330 120.300 0.255 0.000 2.282 217 Y HA 0.543 5.091 4.550 -0.003 0.000 0.335 217 Y C 1.774 177.738 175.900 0.107 0.000 1.335 217 Y CA 0.050 58.233 58.100 0.139 0.000 1.529 217 Y CB -0.182 38.285 38.460 0.013 0.000 1.429 217 Y HN 0.817 nan 8.280 nan 0.000 0.563 218 G N 0.121 109.068 108.800 0.245 0.000 2.527 218 G HA2 0.040 3.998 3.960 -0.003 0.000 0.279 218 G HA3 0.040 3.998 3.960 -0.003 0.000 0.279 218 G C 0.204 175.173 174.900 0.116 0.000 1.374 218 G CA -0.211 44.978 45.100 0.148 0.000 1.053 218 G HN 0.730 nan 8.290 nan 0.000 0.539 219 E N -1.352 118.890 120.200 0.070 0.000 2.140 219 E HA 0.034 4.383 4.350 -0.003 0.000 0.191 219 E C 2.306 178.917 176.600 0.019 0.000 0.973 219 E CA 0.115 56.542 56.400 0.044 0.000 0.829 219 E CB -0.101 29.617 29.700 0.030 0.000 0.781 219 E HN 0.264 nan 8.360 nan 0.000 0.466 220 L N 0.866 122.097 121.223 0.014 0.000 2.162 220 L HA 0.000 4.339 4.340 -0.003 0.000 0.205 220 L C 1.407 178.261 176.870 -0.026 0.000 1.086 220 L CA 1.494 56.328 54.840 -0.011 0.000 0.778 220 L CB -0.004 42.050 42.059 -0.009 0.000 0.928 220 L HN -0.087 nan 8.230 nan 0.000 0.446 221 E N -0.337 119.859 120.200 -0.007 0.000 2.265 221 E HA -0.237 4.111 4.350 -0.003 0.000 0.196 221 E C 2.022 178.557 176.600 -0.107 0.000 0.996 221 E CA 0.951 57.326 56.400 -0.042 0.000 0.832 221 E CB -0.142 29.567 29.700 0.015 0.000 0.756 221 E HN 0.366 nan 8.360 nan 0.000 0.491 222 K N 0.425 120.794 120.400 -0.053 0.000 2.002 222 K HA -0.178 4.140 4.320 -0.003 0.000 0.209 222 K C 2.146 178.682 176.600 -0.108 0.000 1.048 222 K CA 1.479 57.722 56.287 -0.074 0.000 0.930 222 K CB 0.040 32.539 32.500 -0.002 0.000 0.714 222 K HN 0.055 nan 8.250 nan 0.000 0.438 223 Q N -0.020 119.728 119.800 -0.087 0.000 2.046 223 Q HA -0.121 4.218 4.340 -0.003 0.000 0.200 223 Q C 1.930 177.859 176.000 -0.117 0.000 0.975 223 Q CA 1.175 56.916 55.803 -0.104 0.000 0.836 223 Q CB -0.160 28.523 28.738 -0.092 0.000 0.896 223 Q HN 0.186 nan 8.270 nan 0.000 0.428 224 L N 0.441 121.600 121.223 -0.107 0.000 2.197 224 L HA -0.210 4.129 4.340 -0.003 0.000 0.215 224 L C 1.701 178.497 176.870 -0.122 0.000 1.095 224 L CA 1.596 56.373 54.840 -0.106 0.000 0.764 224 L CB -0.467 41.536 42.059 -0.093 0.000 0.897 224 L HN 0.223 nan 8.230 nan 0.000 0.436 225 L N -1.360 119.769 121.223 -0.155 0.000 2.162 225 L HA -0.029 4.310 4.340 -0.003 0.000 0.205 225 L C 2.287 179.075 176.870 -0.136 0.000 1.086 225 L CA 1.275 56.010 54.840 -0.175 0.000 0.778 225 L CB -0.600 41.293 42.059 -0.276 0.000 0.928 225 L HN 0.308 nan 8.230 nan 0.000 0.446 226 Q N -1.162 118.559 119.800 -0.133 0.000 2.444 226 Q HA 0.180 4.518 4.340 -0.003 0.000 0.206 226 Q C 1.835 177.755 176.000 -0.134 0.000 0.948 226 Q CA 0.735 56.463 55.803 -0.124 0.000 0.946 226 Q CB 0.031 28.692 28.738 -0.129 0.000 1.027 226 Q HN 0.471 nan 8.270 nan 0.000 0.513 227 A N 0.441 123.186 122.820 -0.125 0.000 1.832 227 A HA -0.161 4.157 4.320 -0.003 0.000 0.214 227 A C 1.938 179.474 177.584 -0.081 0.000 1.204 227 A CA 1.299 53.264 52.037 -0.120 0.000 0.606 227 A CB -0.697 18.240 19.000 -0.104 0.000 0.849 227 A HN 0.396 nan 8.150 nan 0.000 0.445 228 N N -0.011 118.659 118.700 -0.050 0.000 2.132 228 N HA -0.134 4.605 4.740 -0.003 0.000 0.191 228 N C -0.997 174.507 175.510 -0.010 0.000 1.015 228 N CA 1.944 54.989 53.050 -0.008 0.000 0.864 228 N CB -0.799 37.681 38.487 -0.012 0.000 1.006 228 N HN 0.365 nan 8.380 nan 0.000 0.430 229 P HA -0.009 nan 4.420 nan 0.000 0.237 229 P C 1.441 178.698 177.300 -0.071 0.000 1.178 229 P CA 0.635 63.714 63.100 -0.034 0.000 0.766 229 P CB 0.186 31.863 31.700 -0.038 0.000 0.876 230 I N -0.370 120.137 120.570 -0.105 0.000 2.522 230 I HA -0.075 4.093 4.170 -0.003 0.000 0.240 230 I C 2.444 178.456 176.117 -0.175 0.000 1.078 230 I CA 0.575 61.766 61.300 -0.181 0.000 1.422 230 I CB -0.529 37.367 38.000 -0.174 0.000 1.188 230 I HN -0.274 nan 8.210 nan 0.000 0.442 231 L N 0.334 121.538 121.223 -0.031 0.000 2.263 231 L HA -0.236 4.103 4.340 -0.003 0.000 0.216 231 L C 2.140 179.164 176.870 0.257 0.000 1.111 231 L CA 1.359 56.280 54.840 0.136 0.000 0.773 231 L CB -0.935 41.265 42.059 0.235 0.000 0.906 231 L HN 0.403 nan 8.230 nan 0.000 0.439 232 E N 0.229 120.489 120.200 0.100 0.000 2.208 232 E HA -0.127 4.221 4.350 -0.003 0.000 0.193 232 E C 2.155 178.712 176.600 -0.072 0.000 0.988 232 E CA 0.827 57.260 56.400 0.056 0.000 0.828 232 E CB 0.127 29.835 29.700 0.013 0.000 0.763 232 E HN 0.533 nan 8.360 nan 0.000 0.478 233 A N 1.439 124.134 122.820 -0.208 0.000 1.822 233 A HA -0.095 4.224 4.320 -0.003 0.000 0.214 233 A C 0.744 178.218 177.584 -0.184 0.000 1.245 233 A CA 0.721 52.512 52.037 -0.410 0.000 0.608 233 A CB -0.837 17.661 19.000 -0.837 0.000 0.896 233 A HN 0.172 nan 8.150 nan 0.000 0.457 234 F N 0.357 120.371 119.950 0.107 0.000 2.679 234 F HA 0.497 5.022 4.527 -0.003 0.000 0.351 234 F C 1.327 177.333 175.800 0.344 0.000 1.279 234 F CA 0.136 58.239 58.000 0.171 0.000 1.227 234 F CB -0.624 38.373 39.000 -0.005 0.000 1.623 234 F HN 0.348 nan 8.300 nan 0.000 0.666 235 G N 0.998 110.189 108.800 0.652 0.000 3.990 235 G HA2 -0.045 3.914 3.960 -0.003 0.000 0.213 235 G HA3 -0.045 3.914 3.960 -0.003 0.000 0.213 235 G C -0.289 174.972 174.900 0.601 0.000 0.849 235 G CA -0.570 44.979 45.100 0.749 0.000 0.857 235 G HN 0.440 nan 8.290 nan 0.000 0.484 236 N N 0.341 119.139 118.700 0.164 0.000 2.319 236 N HA 0.806 5.545 4.740 -0.003 0.000 0.305 236 N C -0.457 174.801 175.510 -0.420 0.000 1.103 236 N CA 0.315 53.235 53.050 -0.217 0.000 0.815 236 N CB 2.307 40.553 38.487 -0.402 0.000 1.288 236 N HN 0.620 nan 8.380 nan 0.000 0.493 237 A N 0.764 123.425 122.820 -0.265 0.000 2.594 237 A HA 0.454 4.772 4.320 -0.003 0.000 0.296 237 A C -1.197 176.409 177.584 0.037 0.000 1.061 237 A CA -0.876 51.140 52.037 -0.035 0.000 0.689 237 A CB 0.871 19.728 19.000 -0.239 0.000 1.280 237 A HN 0.674 nan 8.150 nan 0.000 0.406 238 K N 1.011 121.475 120.400 0.105 0.000 2.472 238 K HA 0.392 4.710 4.320 -0.003 0.000 0.280 238 K C 0.180 176.775 176.600 -0.008 0.000 1.028 238 K CA 1.309 57.618 56.287 0.036 0.000 1.045 238 K CB 0.217 32.698 32.500 -0.032 0.000 0.902 238 K HN 1.126 nan 8.250 nan 0.000 0.478 239 T N 0.451 115.017 114.554 0.020 0.000 2.883 239 T HA 0.205 4.553 4.350 -0.003 0.000 0.296 239 T C 0.784 175.537 174.700 0.087 0.000 1.117 239 T CA -0.455 61.660 62.100 0.024 0.000 1.006 239 T CB 1.130 70.036 68.868 0.062 0.000 1.191 239 T HN 0.639 nan 8.240 nan 0.000 0.508 240 V N 0.159 120.146 119.914 0.122 0.000 3.284 240 V HA 0.146 4.264 4.120 -0.003 0.000 0.273 240 V C 1.252 177.445 176.094 0.164 0.000 1.178 240 V CA 1.260 63.646 62.300 0.143 0.000 1.177 240 V CB -1.407 30.526 31.823 0.183 0.000 0.793 240 V HN 0.855 nan 8.190 nan 0.000 0.536 241 K N 0.361 120.878 120.400 0.194 0.000 2.502 241 K HA 0.277 4.596 4.320 -0.003 0.000 0.211 241 K C 0.115 176.796 176.600 0.135 0.000 1.259 241 K CA 0.270 56.650 56.287 0.154 0.000 0.983 241 K CB 0.546 33.127 32.500 0.136 0.000 1.054 241 K HN 0.567 nan 8.250 nan 0.000 0.572 242 N N 1.223 119.993 118.700 0.118 0.000 2.777 242 N HA 0.015 4.754 4.740 -0.003 0.000 0.260 242 N C -0.448 175.109 175.510 0.079 0.000 1.113 242 N CA -0.068 53.041 53.050 0.099 0.000 0.996 242 N CB 1.198 39.742 38.487 0.095 0.000 1.584 242 N HN -0.193 nan 8.380 nan 0.000 0.573 243 D N 1.596 122.035 120.400 0.066 0.000 2.203 243 D HA -0.196 4.443 4.640 -0.003 0.000 0.199 243 D C 0.159 176.539 176.300 0.134 0.000 0.997 243 D CA 1.537 55.573 54.000 0.060 0.000 0.863 243 D CB 0.090 40.910 40.800 0.033 0.000 0.928 243 D HN 0.701 nan 8.370 nan 0.000 0.458 244 N N -0.131 118.651 118.700 0.136 0.000 2.791 244 N HA 0.062 4.800 4.740 -0.003 0.000 0.265 244 N C -1.449 174.078 175.510 0.028 0.000 1.580 244 N CA -0.154 52.994 53.050 0.164 0.000 0.809 244 N CB 0.859 39.467 38.487 0.202 0.000 1.178 244 N HN -0.249 nan 8.380 nan 0.000 0.499 245 S N 0.576 116.278 115.700 0.003 0.000 2.565 245 S HA 0.294 4.762 4.470 -0.003 0.000 0.274 245 S C -0.047 174.480 174.600 -0.122 0.000 1.309 245 S CA -0.415 57.762 58.200 -0.038 0.000 1.043 245 S CB 0.520 63.721 63.200 0.002 0.000 0.939 245 S HN 0.448 nan 8.310 nan 0.000 0.504 246 S N 3.550 119.150 115.700 -0.167 0.000 2.430 246 S HA 0.224 4.693 4.470 -0.003 0.000 0.282 246 S C 0.478 174.895 174.600 -0.304 0.000 1.186 246 S CA -0.397 57.599 58.200 -0.341 0.000 1.060 246 S CB 0.256 63.217 63.200 -0.398 0.000 0.966 246 S HN 0.535 nan 8.310 nan 0.000 0.501 247 R N 2.787 123.160 120.500 -0.212 0.000 2.752 247 R HA 0.322 4.660 4.340 -0.003 0.000 0.279 247 R C -0.890 175.531 176.300 0.201 0.000 1.212 247 R CA -0.363 55.751 56.100 0.024 0.000 1.169 247 R CB -0.952 29.420 30.300 0.121 0.000 1.286 247 R HN 0.638 nan 8.270 nan 0.000 0.564 248 F N -4.926 115.030 119.950 0.011 0.000 2.654 248 F HA 0.407 4.932 4.527 -0.003 0.000 0.315 248 F C 0.073 175.935 175.800 0.104 0.000 1.042 248 F CA -1.699 56.314 58.000 0.022 0.000 1.048 248 F CB -0.066 38.896 39.000 -0.064 0.000 1.287 248 F HN -0.037 nan 8.300 nan 0.000 0.501 249 G N 2.274 111.232 108.800 0.263 0.000 2.630 249 G HA2 0.417 4.376 3.960 -0.003 0.000 0.236 249 G HA3 0.417 4.376 3.960 -0.003 0.000 0.236 249 G C -1.053 174.216 174.900 0.617 0.000 1.248 249 G CA -0.104 45.164 45.100 0.280 0.000 0.844 249 G HN 1.163 nan 8.290 nan 0.000 0.588 250 K N -0.262 120.443 120.400 0.507 0.000 2.550 250 K HA 0.512 4.830 4.320 -0.003 0.000 0.252 250 K C -2.093 174.803 176.600 0.494 0.000 0.943 250 K CA -0.980 55.627 56.287 0.533 0.000 0.806 250 K CB 1.634 34.380 32.500 0.410 0.000 1.289 250 K HN 0.383 nan 8.250 nan 0.000 0.435 251 F N 5.231 125.379 119.950 0.330 0.000 2.532 251 F HA 0.465 4.990 4.527 -0.003 0.000 0.365 251 F C -1.454 174.419 175.800 0.122 0.000 1.112 251 F CA -0.951 57.190 58.000 0.235 0.000 1.082 251 F CB 0.653 39.848 39.000 0.326 0.000 1.319 251 F HN 0.486 nan 8.300 nan 0.000 0.457 252 I N 5.295 125.736 120.570 -0.216 0.000 2.474 252 I HA 0.370 4.538 4.170 -0.003 0.000 0.287 252 I C 0.112 176.013 176.117 -0.360 0.000 1.048 252 I CA -0.060 61.123 61.300 -0.194 0.000 1.383 252 I CB 0.968 38.895 38.000 -0.122 0.000 1.412 252 I HN 0.513 nan 8.210 nan 0.000 0.531 253 R N 5.903 126.301 120.500 -0.170 0.000 2.409 253 R HA 0.648 4.987 4.340 -0.003 0.000 0.313 253 R C -1.285 174.965 176.300 -0.084 0.000 0.953 253 R CA -0.726 55.319 56.100 -0.093 0.000 0.849 253 R CB 1.117 31.413 30.300 -0.005 0.000 1.171 253 R HN 0.587 nan 8.270 nan 0.000 0.458 254 I N 3.408 123.918 120.570 -0.100 0.000 2.377 254 I HA 0.249 4.417 4.170 -0.003 0.000 0.293 254 I C -0.401 175.443 176.117 -0.455 0.000 0.987 254 I CA -0.579 60.560 61.300 -0.269 0.000 1.185 254 I CB 1.626 39.444 38.000 -0.303 0.000 1.341 254 I HN 0.438 nan 8.210 nan 0.000 0.455 255 N N 6.569 124.997 118.700 -0.453 0.000 2.408 255 N HA 0.453 5.192 4.740 -0.003 0.000 0.280 255 N C -1.226 174.019 175.510 -0.441 0.000 1.002 255 N CA -0.301 52.532 53.050 -0.363 0.000 0.907 255 N CB 1.492 39.903 38.487 -0.127 0.000 1.161 255 N HN 0.205 nan 8.380 nan 0.000 0.488 256 F N 0.309 120.331 119.950 0.119 0.000 2.522 256 F HA 0.272 4.797 4.527 -0.003 0.000 0.324 256 F C 1.115 176.980 175.800 0.108 0.000 1.077 256 F CA -1.118 56.955 58.000 0.121 0.000 0.944 256 F CB 0.955 40.035 39.000 0.133 0.000 1.175 256 F HN 0.371 nan 8.300 nan 0.000 0.468 257 D N 0.291 120.885 120.400 0.322 0.000 2.403 257 D HA 0.136 4.775 4.640 -0.003 0.000 0.278 257 D C 1.042 177.458 176.300 0.194 0.000 1.230 257 D CA -0.299 53.828 54.000 0.212 0.000 1.062 257 D CB -0.137 40.774 40.800 0.185 0.000 1.119 257 D HN 0.235 nan 8.370 nan 0.000 0.557 258 V N -1.297 118.702 119.914 0.141 0.000 2.591 258 V HA -0.104 4.014 4.120 -0.003 0.000 0.249 258 V C 2.198 178.363 176.094 0.120 0.000 1.053 258 V CA 1.765 64.127 62.300 0.103 0.000 1.068 258 V CB -1.595 30.270 31.823 0.071 0.000 0.689 258 V HN 0.715 nan 8.190 nan 0.000 0.462 259 T N -0.535 114.138 114.554 0.199 0.000 3.072 259 T HA 0.252 4.600 4.350 -0.003 0.000 0.266 259 T C 1.575 176.438 174.700 0.272 0.000 1.127 259 T CA 0.990 63.267 62.100 0.295 0.000 1.107 259 T CB -0.038 69.070 68.868 0.401 0.000 0.910 259 T HN 1.088 nan 8.240 nan 0.000 0.513 260 G N 0.373 109.288 108.800 0.191 0.000 2.134 260 G HA2 -0.192 3.767 3.960 -0.003 0.000 0.209 260 G HA3 -0.192 3.767 3.960 -0.003 0.000 0.209 260 G C -0.276 174.568 174.900 -0.094 0.000 0.993 260 G CA -0.533 44.545 45.100 -0.036 0.000 0.669 260 G HN 0.548 nan 8.290 nan 0.000 0.519 261 Y N -0.390 120.014 120.300 0.173 0.000 2.419 261 Y HA 0.681 5.230 4.550 -0.003 0.000 0.328 261 Y C 1.160 177.270 175.900 0.350 0.000 1.162 261 Y CA -1.493 56.722 58.100 0.192 0.000 1.174 261 Y CB 0.962 39.468 38.460 0.077 0.000 1.228 261 Y HN 0.154 nan 8.280 nan 0.000 0.473 262 I N 2.212 123.054 120.570 0.452 0.000 2.588 262 I HA 0.016 4.184 4.170 -0.003 0.000 0.283 262 I C 0.643 176.855 176.117 0.157 0.000 1.119 262 I CA 0.501 61.982 61.300 0.301 0.000 1.419 262 I CB 0.931 39.039 38.000 0.180 0.000 1.394 262 I HN 0.668 nan 8.210 nan 0.000 0.562 263 V N 5.647 125.591 119.914 0.051 0.000 3.294 263 V HA 0.513 4.631 4.120 -0.003 0.000 0.255 263 V C 0.304 176.384 176.094 -0.024 0.000 1.528 263 V CA 0.838 63.156 62.300 0.030 0.000 1.086 263 V CB 0.842 32.696 31.823 0.052 0.000 0.906 263 V HN 0.762 nan 8.190 nan 0.000 0.433 264 G N -0.296 108.461 108.800 -0.073 0.000 2.708 264 G HA2 0.853 4.812 3.960 -0.003 0.000 0.289 264 G HA3 0.853 4.812 3.960 -0.003 0.000 0.289 264 G C -1.251 173.579 174.900 -0.116 0.000 1.416 264 G CA -0.322 44.729 45.100 -0.082 0.000 0.829 264 G HN 1.312 nan 8.290 nan 0.000 0.480 265 A N -0.033 122.728 122.820 -0.098 0.000 2.530 265 A HA 0.697 5.016 4.320 -0.003 0.000 0.297 265 A C -1.087 176.447 177.584 -0.084 0.000 1.059 265 A CA -0.596 51.380 52.037 -0.101 0.000 0.782 265 A CB 0.941 19.881 19.000 -0.099 0.000 1.301 265 A HN 0.750 nan 8.150 nan 0.000 0.394 266 N N 0.139 118.795 118.700 -0.075 0.000 2.432 266 N HA 0.855 5.593 4.740 -0.003 0.000 0.292 266 N C -1.268 174.222 175.510 -0.033 0.000 1.193 266 N CA -0.586 52.429 53.050 -0.058 0.000 0.878 266 N CB 1.356 39.812 38.487 -0.052 0.000 1.252 266 N HN 0.511 nan 8.380 nan 0.000 0.520 267 I N 1.298 121.853 120.570 -0.025 0.000 2.563 267 I HA 0.142 4.311 4.170 -0.003 0.000 0.285 267 I C -1.158 174.960 176.117 0.001 0.000 1.123 267 I CA -0.344 60.963 61.300 0.011 0.000 1.059 267 I CB 1.930 39.922 38.000 -0.013 0.000 1.229 267 I HN 0.432 nan 8.210 nan 0.000 0.442 268 E N 4.422 124.657 120.200 0.059 0.000 2.014 268 E HA 0.296 4.645 4.350 -0.003 0.000 0.275 268 E C -0.122 176.297 176.600 -0.302 0.000 0.997 268 E CA -0.222 56.101 56.400 -0.129 0.000 0.804 268 E CB 0.743 30.361 29.700 -0.136 0.000 1.090 268 E HN 0.525 nan 8.360 nan 0.000 0.401 269 T N 2.846 117.268 114.554 -0.219 0.000 2.904 269 T HA 0.342 4.690 4.350 -0.003 0.000 0.290 269 T C -0.282 174.244 174.700 -0.291 0.000 1.018 269 T CA 0.073 62.146 62.100 -0.045 0.000 1.075 269 T CB 0.382 69.352 68.868 0.169 0.000 0.986 269 T HN 0.430 nan 8.240 nan 0.000 0.523 270 Y N 1.252 121.694 120.300 0.237 0.000 3.171 270 Y HA 0.465 5.013 4.550 -0.003 0.000 0.271 270 Y C 0.472 176.420 175.900 0.079 0.000 1.865 270 Y CA -0.942 57.262 58.100 0.174 0.000 0.855 270 Y CB 0.098 38.682 38.460 0.206 0.000 1.298 270 Y HN 0.368 nan 8.280 nan 0.000 0.635 271 L N 3.496 124.854 121.223 0.225 0.000 2.449 271 L HA 0.058 4.396 4.340 -0.003 0.000 0.266 271 L C -0.503 176.385 176.870 0.029 0.000 1.321 271 L CA 0.043 54.870 54.840 -0.023 0.000 1.194 271 L CB -0.949 40.969 42.059 -0.235 0.000 1.384 271 L HN 0.188 nan 8.230 nan 0.000 0.438 272 L N 3.174 124.390 121.223 -0.011 0.000 2.536 272 L HA 0.050 4.388 4.340 -0.003 0.000 0.282 272 L C 1.071 177.962 176.870 0.035 0.000 1.147 272 L CA 0.299 55.111 54.840 -0.046 0.000 0.936 272 L CB -0.183 41.665 42.059 -0.351 0.000 1.279 272 L HN 0.519 nan 8.230 nan 0.000 0.461 273 E N 3.226 123.495 120.200 0.114 0.000 2.574 273 E HA -0.130 4.218 4.350 -0.003 0.000 0.306 273 E C 0.407 177.166 176.600 0.265 0.000 1.166 273 E CA -0.112 56.362 56.400 0.123 0.000 1.263 273 E CB 0.243 29.994 29.700 0.086 0.000 1.078 273 E HN 0.689 nan 8.360 nan 0.000 0.481 274 K N 0.079 120.583 120.400 0.173 0.000 2.555 274 K HA 0.011 4.330 4.320 -0.003 0.000 0.193 274 K C 1.324 177.969 176.600 0.074 0.000 1.032 274 K CA 0.520 56.881 56.287 0.124 0.000 1.004 274 K CB 0.074 32.606 32.500 0.053 0.000 0.804 274 K HN 0.092 nan 8.250 nan 0.000 0.496 275 S N 2.560 118.308 115.700 0.080 0.000 2.378 275 S HA -0.271 4.197 4.470 -0.003 0.000 0.221 275 S C 1.768 176.390 174.600 0.036 0.000 1.037 275 S CA 1.813 60.034 58.200 0.036 0.000 1.069 275 S CB -0.528 62.698 63.200 0.043 0.000 1.006 275 S HN 0.680 nan 8.310 nan 0.000 0.423 276 R N 2.189 122.732 120.500 0.072 0.000 2.407 276 R HA -0.094 4.244 4.340 -0.003 0.000 0.241 276 R C 1.759 178.116 176.300 0.095 0.000 1.180 276 R CA 1.144 57.274 56.100 0.049 0.000 1.048 276 R CB -0.594 29.681 30.300 -0.042 0.000 0.847 276 R HN 0.367 nan 8.270 nan 0.000 0.488 277 A N 1.424 124.300 122.820 0.094 0.000 2.121 277 A HA -0.010 4.308 4.320 -0.003 0.000 0.218 277 A C 2.054 179.435 177.584 -0.339 0.000 1.154 277 A CA 1.228 53.232 52.037 -0.056 0.000 0.679 277 A CB -0.403 18.313 19.000 -0.473 0.000 0.795 277 A HN 0.663 nan 8.150 nan 0.000 0.458 278 I N -5.022 115.379 120.570 -0.282 0.000 3.445 278 I HA 0.362 4.531 4.170 -0.003 0.000 0.288 278 I C 0.266 176.494 176.117 0.184 0.000 1.198 278 I CA -0.232 60.905 61.300 -0.272 0.000 1.417 278 I CB 0.368 38.301 38.000 -0.111 0.000 1.205 278 I HN -0.024 nan 8.210 nan 0.000 0.448 279 R N 1.581 122.138 120.500 0.096 0.000 2.512 279 R HA 0.465 4.804 4.340 -0.003 0.000 0.291 279 R C -1.508 174.828 176.300 0.061 0.000 1.097 279 R CA -0.420 55.746 56.100 0.111 0.000 0.940 279 R CB 1.811 32.176 30.300 0.108 0.000 1.198 279 R HN 0.127 nan 8.270 nan 0.000 0.429 280 Q N 1.480 121.319 119.800 0.064 0.000 2.241 280 Q HA 0.642 4.981 4.340 -0.003 0.000 0.254 280 Q C -0.035 175.971 176.000 0.009 0.000 0.917 280 Q CA -0.565 55.253 55.803 0.026 0.000 0.919 280 Q CB 1.781 30.555 28.738 0.060 0.000 1.237 280 Q HN 0.708 nan 8.270 nan 0.000 0.434 281 A N 2.232 125.025 122.820 -0.044 0.000 2.325 281 A HA 0.154 4.472 4.320 -0.003 0.000 0.260 281 A C 0.061 177.629 177.584 -0.027 0.000 1.133 281 A CA -0.312 51.694 52.037 -0.052 0.000 0.801 281 A CB 0.196 19.115 19.000 -0.134 0.000 1.092 281 A HN 0.560 nan 8.150 nan 0.000 0.504 282 K N 0.321 120.710 120.400 -0.018 0.000 2.451 282 K HA 0.009 4.328 4.320 -0.003 0.000 0.280 282 K C -0.590 176.006 176.600 -0.008 0.000 1.020 282 K CA 0.714 57.001 56.287 0.000 0.000 1.008 282 K CB 0.001 32.505 32.500 0.008 0.000 0.917 282 K HN 0.659 nan 8.250 nan 0.000 0.478 283 D N 1.756 122.159 120.400 0.006 0.000 3.059 283 D HA -0.176 4.462 4.640 -0.003 0.000 0.220 283 D C -0.493 175.799 176.300 -0.013 0.000 1.169 283 D CA 1.230 55.231 54.000 0.002 0.000 0.902 283 D CB -0.485 40.318 40.800 0.005 0.000 1.116 283 D HN 0.632 nan 8.370 nan 0.000 0.417 284 E N -0.570 119.618 120.200 -0.020 0.000 2.264 284 E HA 0.691 5.039 4.350 -0.003 0.000 0.260 284 E C 0.381 176.986 176.600 0.008 0.000 0.961 284 E CA -0.740 55.637 56.400 -0.038 0.000 0.834 284 E CB 2.107 31.749 29.700 -0.098 0.000 1.230 284 E HN -0.039 nan 8.360 nan 0.000 0.412 285 R N -0.405 120.102 120.500 0.012 0.000 2.930 285 R HA 0.434 4.773 4.340 -0.003 0.000 0.257 285 R C -0.246 176.153 176.300 0.164 0.000 1.107 285 R CA -0.533 55.650 56.100 0.138 0.000 0.999 285 R CB 1.734 32.006 30.300 -0.047 0.000 1.209 285 R HN 0.570 nan 8.270 nan 0.000 0.486 286 T N -0.927 113.884 114.554 0.429 0.000 2.833 286 T HA 0.352 4.700 4.350 -0.003 0.000 0.292 286 T C 0.132 174.955 174.700 0.205 0.000 1.031 286 T CA -0.590 61.673 62.100 0.272 0.000 0.937 286 T CB 0.111 69.289 68.868 0.517 0.000 1.256 286 T HN 0.199 nan 8.240 nan 0.000 0.551 287 F N 1.575 121.610 119.950 0.142 0.000 2.538 287 F HA 0.159 4.684 4.527 -0.003 0.000 0.382 287 F C 2.089 177.971 175.800 0.137 0.000 1.069 287 F CA 0.014 58.036 58.000 0.037 0.000 1.138 287 F CB -0.933 37.989 39.000 -0.130 0.000 1.068 287 F HN 0.667 nan 8.300 nan 0.000 0.556 288 H N 1.974 121.101 119.070 0.095 0.000 2.237 288 H HA -0.364 4.191 4.556 -0.003 0.000 0.266 288 H C 2.328 177.505 175.328 -0.252 0.000 1.136 288 H CA 1.987 57.988 56.048 -0.078 0.000 1.236 288 H CB -0.223 29.288 29.762 -0.419 0.000 1.480 288 H HN 0.648 nan 8.280 nan 0.000 0.570 289 I N 0.896 121.294 120.570 -0.286 0.000 2.191 289 I HA -0.352 3.816 4.170 -0.003 0.000 0.248 289 I C 1.926 178.227 176.117 0.307 0.000 1.061 289 I CA 1.462 62.719 61.300 -0.072 0.000 1.329 289 I CB -0.569 37.586 38.000 0.257 0.000 1.024 289 I HN 0.116 nan 8.210 nan 0.000 0.423 290 F N 0.451 120.569 119.950 0.279 0.000 2.011 290 F HA -0.254 4.272 4.527 -0.003 0.000 0.296 290 F C 2.483 178.344 175.800 0.101 0.000 1.144 290 F CA 2.184 60.246 58.000 0.104 0.000 1.185 290 F CB -1.841 37.092 39.000 -0.112 0.000 0.961 290 F HN 0.149 nan 8.300 nan 0.000 0.485 291 Y N -1.576 119.016 120.300 0.486 0.000 2.114 291 Y HA -0.307 4.242 4.550 -0.003 0.000 0.282 291 Y C 2.505 178.762 175.900 0.595 0.000 1.165 291 Y CA 1.638 60.056 58.100 0.530 0.000 1.148 291 Y CB -1.356 37.376 38.460 0.454 0.000 0.972 291 Y HN 0.002 nan 8.280 nan 0.000 0.504 292 Y N -0.741 119.872 120.300 0.522 0.000 2.069 292 Y HA -0.290 4.259 4.550 -0.003 0.000 0.278 292 Y C 2.424 178.635 175.900 0.519 0.000 1.175 292 Y CA 0.918 59.336 58.100 0.530 0.000 1.134 292 Y CB -1.329 37.462 38.460 0.551 0.000 0.965 292 Y HN 0.153 nan 8.280 nan 0.000 0.498 293 L N 0.399 122.045 121.223 0.704 0.000 1.994 293 L HA -0.172 4.166 4.340 -0.003 0.000 0.208 293 L C 2.167 179.077 176.870 0.065 0.000 1.071 293 L CA 1.567 56.684 54.840 0.460 0.000 0.745 293 L CB -1.147 41.186 42.059 0.457 0.000 0.892 293 L HN 0.226 nan 8.230 nan 0.000 0.431 294 I N -0.678 119.876 120.570 -0.027 0.000 2.623 294 I HA -0.293 3.875 4.170 -0.003 0.000 0.261 294 I C 2.125 178.203 176.117 -0.065 0.000 1.204 294 I CA 1.029 62.141 61.300 -0.313 0.000 1.444 294 I CB -0.605 36.737 38.000 -1.097 0.000 1.094 294 I HN 0.390 nan 8.210 nan 0.000 0.451 295 A N 0.232 123.122 122.820 0.117 0.000 1.993 295 A HA 0.300 4.618 4.320 -0.003 0.000 0.202 295 A C 2.243 179.749 177.584 -0.131 0.000 1.461 295 A CA 0.616 52.740 52.037 0.146 0.000 0.824 295 A CB -0.940 18.254 19.000 0.324 0.000 1.024 295 A HN 0.315 nan 8.150 nan 0.000 0.507 296 G N 0.364 108.929 108.800 -0.392 0.000 2.776 296 G HA2 0.329 4.288 3.960 -0.003 0.000 0.209 296 G HA3 0.329 4.288 3.960 -0.003 0.000 0.209 296 G C 0.725 174.885 174.900 -1.233 0.000 1.145 296 G CA 0.668 45.221 45.100 -0.912 0.000 0.791 296 G HN 0.834 nan 8.290 nan 0.000 0.530 297 A N 0.791 123.140 122.820 -0.785 0.000 2.520 297 A HA 0.481 4.800 4.320 -0.003 0.000 0.245 297 A C 1.026 178.490 177.584 -0.200 0.000 1.072 297 A CA 0.407 52.202 52.037 -0.404 0.000 0.761 297 A CB 0.174 19.070 19.000 -0.174 0.000 1.004 297 A HN 0.750 nan 8.150 nan 0.000 0.499 298 S N 1.896 117.543 115.700 -0.089 0.000 2.564 298 S HA 0.103 4.571 4.470 -0.003 0.000 0.278 298 S C 1.139 175.732 174.600 -0.011 0.000 1.333 298 S CA 0.087 58.273 58.200 -0.023 0.000 1.048 298 S CB 0.910 64.129 63.200 0.031 0.000 0.900 298 S HN 0.746 nan 8.310 nan 0.000 0.505 299 E N 2.036 122.233 120.200 -0.004 0.000 2.068 299 E HA -0.257 4.092 4.350 -0.003 0.000 0.207 299 E C 1.793 178.398 176.600 0.008 0.000 1.032 299 E CA 1.951 58.352 56.400 0.002 0.000 0.839 299 E CB -0.539 29.166 29.700 0.008 0.000 0.758 299 E HN 0.879 nan 8.360 nan 0.000 0.457 300 Q N -0.118 119.690 119.800 0.014 0.000 1.921 300 Q HA -0.198 4.140 4.340 -0.003 0.000 0.208 300 Q C 2.502 178.513 176.000 0.018 0.000 0.994 300 Q CA 2.519 58.332 55.803 0.017 0.000 0.857 300 Q CB -0.443 28.309 28.738 0.023 0.000 0.925 300 Q HN 0.504 nan 8.270 nan 0.000 0.421 301 M N -0.300 119.316 119.600 0.028 0.000 2.426 301 M HA -0.174 4.304 4.480 -0.003 0.000 0.261 301 M C 1.859 178.175 176.300 0.026 0.000 1.068 301 M CA 1.542 56.863 55.300 0.036 0.000 1.066 301 M CB -0.320 32.319 32.600 0.066 0.000 1.399 301 M HN 0.013 nan 8.290 nan 0.000 0.449 302 R N 1.928 122.435 120.500 0.012 0.000 2.103 302 R HA -0.210 4.129 4.340 -0.003 0.000 0.234 302 R C 1.704 178.009 176.300 0.009 0.000 1.132 302 R CA 2.842 58.944 56.100 0.004 0.000 0.925 302 R CB -0.853 29.446 30.300 -0.002 0.000 0.842 302 R HN 0.831 nan 8.270 nan 0.000 0.430 303 N N 0.233 118.936 118.700 0.005 0.000 2.188 303 N HA -0.135 4.603 4.740 -0.003 0.000 0.184 303 N C 1.211 176.710 175.510 -0.018 0.000 1.018 303 N CA 1.514 54.562 53.050 -0.004 0.000 0.858 303 N CB -0.640 37.844 38.487 -0.005 0.000 0.989 303 N HN 0.125 nan 8.380 nan 0.000 0.426 304 D N 0.002 120.394 120.400 -0.013 0.000 2.292 304 D HA -0.139 4.499 4.640 -0.003 0.000 0.205 304 D C 0.916 177.187 176.300 -0.048 0.000 0.994 304 D CA 1.043 55.028 54.000 -0.026 0.000 0.897 304 D CB -0.057 40.743 40.800 0.000 0.000 0.907 304 D HN 0.484 nan 8.370 nan 0.000 0.467 305 L N -1.095 120.115 121.223 -0.021 0.000 3.069 305 L HA 0.291 4.629 4.340 -0.003 0.000 0.271 305 L C -0.045 176.821 176.870 -0.006 0.000 1.201 305 L CA -0.392 54.440 54.840 -0.014 0.000 1.015 305 L CB 0.334 42.416 42.059 0.039 0.000 1.371 305 L HN -0.139 nan 8.230 nan 0.000 0.574 306 L N 1.258 122.470 121.223 -0.018 0.000 3.746 306 L HA -0.216 4.122 4.340 -0.003 0.000 0.542 306 L C -0.350 176.562 176.870 0.069 0.000 1.268 306 L CA 0.400 55.236 54.840 -0.006 0.000 0.818 306 L CB -1.464 40.567 42.059 -0.046 0.000 1.472 306 L HN 0.281 nan 8.230 nan 0.000 0.843 307 L N 1.015 122.286 121.223 0.080 0.000 2.449 307 L HA 0.276 4.614 4.340 -0.003 0.000 0.255 307 L C 1.105 178.062 176.870 0.145 0.000 1.167 307 L CA -0.244 54.674 54.840 0.130 0.000 1.090 307 L CB 0.011 42.087 42.059 0.027 0.000 1.385 307 L HN 0.281 nan 8.230 nan 0.000 0.411 308 E N 0.561 120.923 120.200 0.270 0.000 2.425 308 E HA 0.207 4.555 4.350 -0.003 0.000 0.258 308 E C 0.919 177.667 176.600 0.247 0.000 1.151 308 E CA -0.104 56.419 56.400 0.205 0.000 0.958 308 E CB 0.535 30.289 29.700 0.091 0.000 0.968 308 E HN 0.502 nan 8.360 nan 0.000 0.451 309 G N 0.583 109.475 108.800 0.152 0.000 2.590 309 G HA2 0.066 4.025 3.960 -0.003 0.000 0.276 309 G HA3 0.066 4.025 3.960 -0.003 0.000 0.276 309 G C -0.583 174.382 174.900 0.107 0.000 1.337 309 G CA -0.629 44.544 45.100 0.122 0.000 1.030 309 G HN 0.314 nan 8.290 nan 0.000 0.534 310 F N -0.159 119.857 119.950 0.110 0.000 2.450 310 F HA 0.197 4.723 4.527 -0.003 0.000 0.339 310 F C 1.733 177.622 175.800 0.149 0.000 1.146 310 F CA 0.811 58.886 58.000 0.124 0.000 1.267 310 F CB 0.519 39.635 39.000 0.193 0.000 1.178 310 F HN 0.624 nan 8.300 nan 0.000 0.585 311 N N 0.649 119.550 118.700 0.335 0.000 2.800 311 N HA -0.279 4.459 4.740 -0.003 0.000 0.250 311 N C 0.310 175.922 175.510 0.170 0.000 1.078 311 N CA 0.880 54.067 53.050 0.228 0.000 0.804 311 N CB -1.140 37.461 38.487 0.191 0.000 1.135 311 N HN 0.719 nan 8.380 nan 0.000 0.565 312 N N -0.811 118.034 118.700 0.242 0.000 2.220 312 N HA 0.046 4.784 4.740 -0.003 0.000 0.195 312 N C -0.805 174.657 175.510 -0.080 0.000 1.123 312 N CA 0.275 53.376 53.050 0.085 0.000 0.874 312 N CB 0.407 38.946 38.487 0.087 0.000 0.995 312 N HN 0.143 nan 8.380 nan 0.000 0.498 313 Y N -0.053 120.196 120.300 -0.085 0.000 2.429 313 Y HA 0.266 4.815 4.550 -0.003 0.000 0.342 313 Y C 1.229 177.056 175.900 -0.121 0.000 1.004 313 Y CA -0.987 57.032 58.100 -0.135 0.000 1.075 313 Y CB 1.550 39.913 38.460 -0.162 0.000 1.214 313 Y HN -0.147 nan 8.280 nan 0.000 0.455 314 T N 0.378 114.879 114.554 -0.089 0.000 3.081 314 T HA 0.021 4.370 4.350 -0.003 0.000 0.250 314 T C 1.090 175.756 174.700 -0.058 0.000 1.100 314 T CA 0.391 62.425 62.100 -0.110 0.000 1.038 314 T CB -0.164 68.580 68.868 -0.207 0.000 0.962 314 T HN 0.375 nan 8.240 nan 0.000 0.516 315 F N 1.624 121.561 119.950 -0.022 0.000 2.748 315 F HA 0.331 4.856 4.527 -0.003 0.000 0.299 315 F C 0.640 176.402 175.800 -0.062 0.000 1.154 315 F CA -0.744 57.217 58.000 -0.066 0.000 1.446 315 F CB -0.514 38.391 39.000 -0.159 0.000 1.112 315 F HN 0.124 nan 8.300 nan 0.000 0.584 316 L N 0.281 121.583 121.223 0.131 0.000 2.353 316 L HA 0.313 4.651 4.340 -0.003 0.000 0.269 316 L C 0.547 177.505 176.870 0.146 0.000 1.085 316 L CA -0.489 54.415 54.840 0.107 0.000 0.938 316 L CB -0.101 41.989 42.059 0.052 0.000 1.312 316 L HN -0.158 nan 8.230 nan 0.000 0.429 317 S N 1.228 117.013 115.700 0.142 0.000 2.584 317 S HA 0.158 4.627 4.470 -0.003 0.000 0.270 317 S C 0.837 175.518 174.600 0.134 0.000 1.346 317 S CA -0.672 57.599 58.200 0.118 0.000 1.018 317 S CB 0.302 63.560 63.200 0.096 0.000 0.899 317 S HN 0.775 nan 8.310 nan 0.000 0.542 318 N N 0.474 119.239 118.700 0.109 0.000 2.714 318 N HA -0.208 4.530 4.740 -0.003 0.000 0.250 318 N C 0.870 176.472 175.510 0.152 0.000 1.117 318 N CA 0.793 53.908 53.050 0.108 0.000 0.719 318 N CB -2.113 36.429 38.487 0.093 0.000 1.081 318 N HN 1.262 nan 8.380 nan 0.000 0.557 319 G N 1.093 109.995 108.800 0.170 0.000 2.632 319 G HA2 -0.395 3.564 3.960 -0.003 0.000 0.322 319 G HA3 -0.395 3.564 3.960 -0.003 0.000 0.322 319 G C -0.265 174.842 174.900 0.345 0.000 1.326 319 G CA 1.074 46.312 45.100 0.231 0.000 0.986 319 G HN 0.772 nan 8.290 nan 0.000 0.541 320 H N 0.641 119.837 119.070 0.210 0.000 2.761 320 H HA 0.589 5.143 4.556 -0.003 0.000 0.284 320 H C -0.204 175.129 175.328 0.008 0.000 1.105 320 H CA -0.137 56.006 56.048 0.158 0.000 1.352 320 H CB 0.235 29.844 29.762 -0.254 0.000 1.423 320 H HN 0.338 nan 8.280 nan 0.000 0.464 321 V N 8.962 128.909 119.914 0.054 0.000 2.539 321 V HA 0.319 4.437 4.120 -0.003 0.000 0.292 321 V C -1.879 174.072 176.094 -0.238 0.000 1.045 321 V CA -1.370 60.923 62.300 -0.012 0.000 0.945 321 V CB 1.779 33.572 31.823 -0.049 0.000 0.993 321 V HN 0.776 nan 8.190 nan 0.000 0.464 322 P HA 0.503 nan 4.420 nan 0.000 0.287 322 P C -1.061 176.157 177.300 -0.136 0.000 1.279 322 P CA -0.715 62.330 63.100 -0.092 0.000 0.867 322 P CB 2.043 33.764 31.700 0.036 0.000 1.127 323 I N 2.631 123.113 120.570 -0.147 0.000 2.362 323 I HA 0.376 4.545 4.170 -0.003 0.000 0.289 323 I C -2.355 173.719 176.117 -0.072 0.000 0.994 323 I CA -3.181 58.046 61.300 -0.123 0.000 1.158 323 I CB 1.790 39.689 38.000 -0.168 0.000 1.315 323 I HN 0.174 nan 8.210 nan 0.000 0.451 324 P HA 0.059 nan 4.420 nan 0.000 0.265 324 P C 0.363 177.648 177.300 -0.025 0.000 1.193 324 P CA 0.639 63.718 63.100 -0.034 0.000 0.765 324 P CB 0.967 32.647 31.700 -0.034 0.000 0.823 325 A N 1.331 124.141 122.820 -0.018 0.000 3.420 325 A HA -0.265 4.054 4.320 -0.003 0.000 0.269 325 A C 0.537 178.115 177.584 -0.009 0.000 1.122 325 A CA 1.563 53.596 52.037 -0.007 0.000 1.023 325 A CB -2.394 16.608 19.000 0.003 0.000 1.099 325 A HN 0.685 nan 8.150 nan 0.000 0.860 326 Q N -0.764 119.021 119.800 -0.026 0.000 2.340 326 Q HA 0.587 4.926 4.340 -0.003 0.000 0.268 326 Q C -0.647 175.315 176.000 -0.063 0.000 1.031 326 Q CA -0.466 55.314 55.803 -0.038 0.000 0.804 326 Q CB 1.260 29.973 28.738 -0.041 0.000 1.286 326 Q HN 0.518 nan 8.270 nan 0.000 0.448 327 Q N 3.399 123.157 119.800 -0.070 0.000 2.425 327 Q HA 0.144 4.483 4.340 -0.003 0.000 0.254 327 Q C -0.308 175.607 176.000 -0.140 0.000 1.032 327 Q CA -0.327 55.430 55.803 -0.076 0.000 0.798 327 Q CB 0.910 29.622 28.738 -0.043 0.000 1.210 327 Q HN 0.659 nan 8.270 nan 0.000 0.491 328 D N 3.134 123.437 120.400 -0.162 0.000 2.158 328 D HA -0.205 4.434 4.640 -0.003 0.000 0.197 328 D C 0.453 176.649 176.300 -0.174 0.000 0.995 328 D CA 1.514 55.346 54.000 -0.279 0.000 0.846 328 D CB 0.260 41.031 40.800 -0.047 0.000 0.941 328 D HN 0.657 nan 8.370 nan 0.000 0.456 329 D N 1.241 121.613 120.400 -0.047 0.000 2.177 329 D HA -0.222 4.416 4.640 -0.003 0.000 0.189 329 D C 2.062 178.368 176.300 0.011 0.000 1.002 329 D CA 1.727 55.726 54.000 -0.002 0.000 0.845 329 D CB -0.580 40.222 40.800 0.003 0.000 0.960 329 D HN 0.579 nan 8.370 nan 0.000 0.447 330 E N 0.001 120.192 120.200 -0.016 0.000 2.072 330 E HA -0.118 4.231 4.350 -0.003 0.000 0.190 330 E C 1.958 178.553 176.600 -0.008 0.000 0.982 330 E CA 0.565 56.972 56.400 0.012 0.000 0.803 330 E CB -0.289 29.411 29.700 -0.001 0.000 0.755 330 E HN 0.019 nan 8.360 nan 0.000 0.453 331 M N 0.654 120.161 119.600 -0.155 0.000 2.146 331 M HA -0.220 4.258 4.480 -0.003 0.000 0.251 331 M C 1.998 178.218 176.300 -0.133 0.000 1.083 331 M CA 1.429 56.536 55.300 -0.322 0.000 1.076 331 M CB -1.119 30.867 32.600 -1.022 0.000 1.332 331 M HN 0.189 nan 8.290 nan 0.000 0.400 332 F N 0.659 120.498 119.950 -0.186 0.000 2.000 332 F HA -0.342 4.183 4.527 -0.003 0.000 0.296 332 F C 2.686 178.545 175.800 0.098 0.000 1.159 332 F CA 2.637 60.689 58.000 0.087 0.000 1.183 332 F CB -0.815 38.243 39.000 0.096 0.000 0.959 332 F HN 0.166 nan 8.300 nan 0.000 0.490 333 Q N 0.503 120.462 119.800 0.265 0.000 2.096 333 Q HA -0.295 4.043 4.340 -0.003 0.000 0.208 333 Q C 2.175 178.202 176.000 0.045 0.000 0.993 333 Q CA 2.454 58.341 55.803 0.139 0.000 0.862 333 Q CB -0.504 28.316 28.738 0.138 0.000 0.915 333 Q HN 0.587 nan 8.270 nan 0.000 0.416 334 E N -1.339 118.888 120.200 0.045 0.000 2.086 334 E HA -0.274 4.074 4.350 -0.003 0.000 0.205 334 E C 1.910 178.512 176.600 0.003 0.000 1.027 334 E CA 2.105 58.520 56.400 0.026 0.000 0.830 334 E CB -0.250 29.471 29.700 0.035 0.000 0.751 334 E HN 0.666 nan 8.360 nan 0.000 0.456 335 T N -0.690 113.869 114.554 0.009 0.000 2.857 335 T HA -0.086 4.262 4.350 -0.003 0.000 0.266 335 T C 1.920 176.558 174.700 -0.104 0.000 1.048 335 T CA 0.442 62.516 62.100 -0.044 0.000 1.139 335 T CB -0.109 68.747 68.868 -0.019 0.000 0.874 335 T HN 0.007 nan 8.240 nan 0.000 0.455 336 L N 1.390 122.529 121.223 -0.140 0.000 1.994 336 L HA -0.026 4.312 4.340 -0.003 0.000 0.208 336 L C 2.719 179.556 176.870 -0.055 0.000 1.071 336 L CA 2.084 56.845 54.840 -0.131 0.000 0.745 336 L CB -1.257 40.728 42.059 -0.124 0.000 0.892 336 L HN 0.503 nan 8.230 nan 0.000 0.431 337 E N -0.551 119.631 120.200 -0.030 0.000 2.097 337 E HA -0.253 4.096 4.350 -0.003 0.000 0.196 337 E C 2.111 178.680 176.600 -0.052 0.000 1.000 337 E CA 1.357 57.745 56.400 -0.020 0.000 0.804 337 E CB -0.056 29.642 29.700 -0.003 0.000 0.740 337 E HN 0.542 nan 8.360 nan 0.000 0.454 338 A N 1.610 124.386 122.820 -0.073 0.000 1.841 338 A HA -0.243 4.075 4.320 -0.003 0.000 0.216 338 A C 2.239 179.717 177.584 -0.178 0.000 1.199 338 A CA 1.791 53.759 52.037 -0.114 0.000 0.621 338 A CB -0.701 18.228 19.000 -0.118 0.000 0.835 338 A HN 0.150 nan 8.150 nan 0.000 0.445 339 M N -0.065 119.418 119.600 -0.196 0.000 2.128 339 M HA -0.256 4.222 4.480 -0.003 0.000 0.253 339 M C 2.346 178.493 176.300 -0.255 0.000 1.079 339 M CA 2.538 57.656 55.300 -0.304 0.000 1.082 339 M CB -1.150 31.420 32.600 -0.051 0.000 1.335 339 M HN 0.796 nan 8.290 nan 0.000 0.401 340 T N -0.637 113.854 114.554 -0.105 0.000 2.701 340 T HA -0.092 4.256 4.350 -0.003 0.000 0.263 340 T C 1.766 176.416 174.700 -0.082 0.000 1.040 340 T CA 1.093 63.162 62.100 -0.052 0.000 1.147 340 T CB -0.614 68.246 68.868 -0.013 0.000 0.865 340 T HN 0.194 nan 8.240 nan 0.000 0.426 341 I N 0.915 121.429 120.570 -0.094 0.000 2.151 341 I HA -0.164 4.005 4.170 -0.003 0.000 0.243 341 I C 2.711 178.752 176.117 -0.126 0.000 1.080 341 I CA 1.561 62.808 61.300 -0.089 0.000 1.339 341 I CB -1.120 36.827 38.000 -0.090 0.000 1.039 341 I HN 0.251 nan 8.210 nan 0.000 0.409 342 M N -0.212 119.259 119.600 -0.214 0.000 2.065 342 M HA -0.154 4.324 4.480 -0.003 0.000 0.259 342 M C 1.783 177.958 176.300 -0.209 0.000 1.071 342 M CA 2.366 57.495 55.300 -0.284 0.000 1.109 342 M CB -1.132 31.141 32.600 -0.545 0.000 1.313 342 M HN 0.480 nan 8.290 nan 0.000 0.408 343 G N -3.009 105.678 108.800 -0.189 0.000 3.578 343 G HA2 -0.084 3.875 3.960 -0.003 0.000 0.220 343 G HA3 -0.084 3.875 3.960 -0.003 0.000 0.220 343 G C -0.255 174.759 174.900 0.190 0.000 0.933 343 G CA -0.619 44.481 45.100 -0.001 0.000 0.847 343 G HN 0.204 nan 8.290 nan 0.000 0.612 344 F N 4.000 123.944 119.950 -0.010 0.000 2.506 344 F HA 0.285 4.810 4.527 -0.003 0.000 0.387 344 F C 1.493 177.298 175.800 0.007 0.000 1.053 344 F CA -0.184 57.825 58.000 0.014 0.000 1.083 344 F CB -0.931 38.095 39.000 0.043 0.000 1.010 344 F HN -0.116 nan 8.300 nan 0.000 0.551 345 T N 4.791 119.452 114.554 0.178 0.000 2.923 345 T HA -0.098 4.250 4.350 -0.003 0.000 0.320 345 T C 1.625 176.367 174.700 0.071 0.000 1.074 345 T CA -0.028 62.125 62.100 0.088 0.000 1.131 345 T CB 0.559 69.453 68.868 0.043 0.000 1.058 345 T HN 0.592 nan 8.240 nan 0.000 0.535 346 E N 3.495 123.727 120.200 0.052 0.000 2.095 346 E HA -0.346 4.003 4.350 -0.003 0.000 0.212 346 E C 1.705 178.323 176.600 0.029 0.000 1.044 346 E CA 2.358 58.784 56.400 0.045 0.000 0.857 346 E CB -0.501 29.220 29.700 0.035 0.000 0.764 346 E HN 0.956 nan 8.360 nan 0.000 0.462 347 E N 1.254 121.456 120.200 0.004 0.000 2.158 347 E HA -0.100 4.248 4.350 -0.003 0.000 0.191 347 E C 2.032 178.578 176.600 -0.091 0.000 0.982 347 E CA 0.978 57.360 56.400 -0.029 0.000 0.823 347 E CB -0.420 29.262 29.700 -0.031 0.000 0.766 347 E HN 0.459 nan 8.360 nan 0.000 0.468 348 E N 0.684 120.831 120.200 -0.088 0.000 2.394 348 E HA -0.311 4.037 4.350 -0.003 0.000 0.202 348 E C 1.630 178.090 176.600 -0.234 0.000 1.029 348 E CA 1.361 57.652 56.400 -0.182 0.000 0.855 348 E CB 0.072 29.737 29.700 -0.059 0.000 0.770 348 E HN 0.511 nan 8.360 nan 0.000 0.527 349 Q N -1.152 118.597 119.800 -0.084 0.000 2.389 349 Q HA -0.038 4.301 4.340 -0.003 0.000 0.201 349 Q C 2.359 178.327 176.000 -0.054 0.000 0.956 349 Q CA 1.209 57.002 55.803 -0.016 0.000 0.871 349 Q CB -0.085 28.714 28.738 0.102 0.000 0.990 349 Q HN 0.366 nan 8.270 nan 0.000 0.554 350 T N 0.162 114.704 114.554 -0.021 0.000 2.684 350 T HA -0.283 4.065 4.350 -0.003 0.000 0.267 350 T C 2.009 176.684 174.700 -0.042 0.000 1.032 350 T CA 1.962 64.065 62.100 0.006 0.000 1.155 350 T CB -0.722 68.149 68.868 0.005 0.000 0.857 350 T HN 0.178 nan 8.240 nan 0.000 0.457 351 S N 2.908 118.505 115.700 -0.172 0.000 2.344 351 S HA 0.017 4.485 4.470 -0.003 0.000 0.217 351 S C 2.073 176.570 174.600 -0.173 0.000 1.033 351 S CA 1.510 59.560 58.200 -0.250 0.000 1.017 351 S CB -0.770 62.024 63.200 -0.677 0.000 0.941 351 S HN 0.655 nan 8.310 nan 0.000 0.430 352 I N 1.370 121.724 120.570 -0.360 0.000 2.730 352 I HA -0.188 3.981 4.170 -0.003 0.000 0.266 352 I C 1.797 177.912 176.117 -0.003 0.000 1.228 352 I CA 0.957 62.178 61.300 -0.132 0.000 1.445 352 I CB -0.760 37.140 38.000 -0.167 0.000 1.102 352 I HN 0.191 nan 8.210 nan 0.000 0.464 353 L N 0.566 121.817 121.223 0.048 0.000 2.200 353 L HA -0.014 4.324 4.340 -0.003 0.000 0.200 353 L C 2.817 179.767 176.870 0.133 0.000 1.072 353 L CA 0.629 55.552 54.840 0.139 0.000 0.787 353 L CB -0.432 41.740 42.059 0.189 0.000 0.957 353 L HN 0.177 nan 8.230 nan 0.000 0.459 354 R N 0.058 120.615 120.500 0.096 0.000 2.083 354 R HA -0.129 4.209 4.340 -0.003 0.000 0.237 354 R C 1.863 178.224 176.300 0.102 0.000 1.137 354 R CA 1.740 57.891 56.100 0.086 0.000 0.951 354 R CB -1.484 28.851 30.300 0.058 0.000 0.851 354 R HN 0.103 nan 8.270 nan 0.000 0.434 355 V N 1.750 121.730 119.914 0.110 0.000 2.794 355 V HA -0.199 3.919 4.120 -0.003 0.000 0.260 355 V C 2.342 178.511 176.094 0.126 0.000 1.103 355 V CA 1.502 63.856 62.300 0.088 0.000 1.125 355 V CB -0.287 31.557 31.823 0.035 0.000 0.702 355 V HN 0.265 nan 8.190 nan 0.000 0.494 356 V N 0.314 120.329 119.914 0.168 0.000 2.300 356 V HA -0.134 3.984 4.120 -0.003 0.000 0.241 356 V C 2.503 178.755 176.094 0.263 0.000 1.034 356 V CA 1.700 64.183 62.300 0.305 0.000 1.021 356 V CB -0.825 31.210 31.823 0.354 0.000 0.662 356 V HN 0.666 nan 8.190 nan 0.000 0.458 357 S N 1.671 117.481 115.700 0.184 0.000 2.374 357 S HA -0.303 4.165 4.470 -0.003 0.000 0.227 357 S C 2.199 176.887 174.600 0.147 0.000 1.037 357 S CA 1.949 60.236 58.200 0.145 0.000 1.024 357 S CB -0.981 62.291 63.200 0.120 0.000 0.861 357 S HN 0.724 nan 8.310 nan 0.000 0.456 358 S N 2.065 117.839 115.700 0.124 0.000 2.359 358 S HA -0.132 4.337 4.470 -0.003 0.000 0.222 358 S C 1.813 176.502 174.600 0.149 0.000 1.038 358 S CA 1.560 59.822 58.200 0.104 0.000 1.051 358 S CB -1.113 62.141 63.200 0.090 0.000 0.944 358 S HN 0.342 nan 8.310 nan 0.000 0.433 359 V N 1.168 121.191 119.914 0.183 0.000 3.140 359 V HA -0.059 4.059 4.120 -0.003 0.000 0.269 359 V C 2.046 178.250 176.094 0.183 0.000 1.149 359 V CA 1.572 63.990 62.300 0.196 0.000 1.162 359 V CB -0.795 31.195 31.823 0.279 0.000 0.756 359 V HN 0.455 nan 8.190 nan 0.000 0.523 360 L N -1.894 119.441 121.223 0.188 0.000 2.445 360 L HA 0.088 4.426 4.340 -0.003 0.000 0.207 360 L C 2.303 179.325 176.870 0.254 0.000 1.053 360 L CA 0.644 55.653 54.840 0.280 0.000 0.841 360 L CB -0.305 41.814 42.059 0.100 0.000 1.074 360 L HN 0.160 nan 8.230 nan 0.000 0.479 361 Q N 0.600 120.482 119.800 0.137 0.000 2.061 361 Q HA -0.213 4.125 4.340 -0.003 0.000 0.204 361 Q C 2.059 178.019 176.000 -0.067 0.000 0.984 361 Q CA 1.788 57.559 55.803 -0.053 0.000 0.846 361 Q CB -0.469 28.239 28.738 -0.049 0.000 0.902 361 Q HN 0.345 nan 8.270 nan 0.000 0.421 362 L N -0.248 121.009 121.223 0.058 0.000 2.671 362 L HA -0.146 4.192 4.340 -0.003 0.000 0.236 362 L C 1.631 178.506 176.870 0.009 0.000 1.178 362 L CA 1.279 56.181 54.840 0.104 0.000 0.829 362 L CB -0.322 41.883 42.059 0.245 0.000 0.956 362 L HN 0.414 nan 8.230 nan 0.000 0.455 363 G N -1.966 106.674 108.800 -0.266 0.000 2.719 363 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.211 363 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.211 363 G C 1.303 175.870 174.900 -0.555 0.000 1.140 363 G CA 0.073 44.603 45.100 -0.950 0.000 0.790 363 G HN 0.340 nan 8.290 nan 0.000 0.529 364 N N 0.807 119.283 118.700 -0.374 0.000 2.216 364 N HA 0.010 4.749 4.740 -0.003 0.000 0.183 364 N C 1.016 176.364 175.510 -0.270 0.000 1.017 364 N CA -0.054 52.812 53.050 -0.307 0.000 0.861 364 N CB -0.137 38.172 38.487 -0.296 0.000 0.986 364 N HN 0.259 nan 8.380 nan 0.000 0.428 365 I N 1.909 122.329 120.570 -0.250 0.000 3.089 365 I HA -0.170 3.998 4.170 -0.003 0.000 0.321 365 I C -0.130 175.716 176.117 -0.450 0.000 1.222 365 I CA 0.327 61.443 61.300 -0.308 0.000 1.452 365 I CB 0.106 37.985 38.000 -0.201 0.000 1.321 365 I HN -0.171 nan 8.210 nan 0.000 0.539 366 V N 6.828 126.410 119.914 -0.553 0.000 2.881 366 V HA 0.529 4.647 4.120 -0.003 0.000 0.316 366 V C -0.605 175.030 176.094 -0.763 0.000 1.070 366 V CA -0.787 61.215 62.300 -0.498 0.000 0.976 366 V CB 1.969 33.646 31.823 -0.242 0.000 1.038 366 V HN 0.397 nan 8.190 nan 0.000 0.446 367 F N 1.181 121.130 119.950 -0.002 0.000 3.090 367 F HA 0.471 4.996 4.527 -0.003 0.000 0.381 367 F C -0.126 175.675 175.800 0.003 0.000 1.231 367 F CA -0.818 57.184 58.000 0.004 0.000 1.177 367 F CB 1.451 40.457 39.000 0.010 0.000 1.598 367 F HN 0.461 nan 8.300 nan 0.000 0.589 368 K N 2.630 123.119 120.400 0.149 0.000 2.234 368 K HA 0.403 4.722 4.320 -0.003 0.000 0.282 368 K C 0.292 176.943 176.600 0.084 0.000 1.039 368 K CA -0.590 55.750 56.287 0.088 0.000 0.928 368 K CB 0.915 33.442 32.500 0.045 0.000 1.039 368 K HN 0.393 nan 8.250 nan 0.000 0.470 369 K N 2.132 122.571 120.400 0.064 0.000 2.508 369 K HA -0.112 4.206 4.320 -0.003 0.000 0.273 369 K C -0.567 176.053 176.600 0.035 0.000 0.964 369 K CA 0.874 57.188 56.287 0.044 0.000 0.948 369 K CB 0.427 32.946 32.500 0.032 0.000 0.917 369 K HN 0.574 nan 8.250 nan 0.000 0.512 370 E N 2.732 122.946 120.200 0.024 0.000 2.402 370 E HA 0.109 4.457 4.350 -0.003 0.000 0.244 370 E C -0.413 176.194 176.600 0.011 0.000 0.945 370 E CA -0.448 55.963 56.400 0.018 0.000 0.774 370 E CB 0.671 30.382 29.700 0.018 0.000 1.296 370 E HN 0.553 nan 8.360 nan 0.000 0.414 371 R N 1.358 121.864 120.500 0.010 0.000 2.377 371 R HA -0.069 4.269 4.340 -0.003 0.000 0.207 371 R C 1.089 177.391 176.300 0.004 0.000 1.075 371 R CA 0.778 56.882 56.100 0.007 0.000 1.035 371 R CB -0.105 30.199 30.300 0.007 0.000 0.857 371 R HN 0.270 nan 8.270 nan 0.000 0.475 372 N N -0.058 118.645 118.700 0.005 0.000 2.322 372 N HA -0.078 4.660 4.740 -0.003 0.000 0.186 372 N C 1.745 177.255 175.510 0.000 0.000 1.037 372 N CA 1.892 54.944 53.050 0.003 0.000 0.869 372 N CB -0.612 37.877 38.487 0.004 0.000 1.036 372 N HN 0.337 nan 8.380 nan 0.000 0.439 373 T N -2.706 111.848 114.554 -0.000 0.000 3.034 373 T HA 0.109 4.458 4.350 -0.003 0.000 0.248 373 T C -0.178 174.518 174.700 -0.007 0.000 1.040 373 T CA 0.352 62.450 62.100 -0.004 0.000 1.107 373 T CB 0.270 69.134 68.868 -0.005 0.000 0.932 373 T HN 0.065 nan 8.240 nan 0.000 0.474 374 D N 0.423 120.821 120.400 -0.004 0.000 3.082 374 D HA -0.108 4.530 4.640 -0.003 0.000 0.216 374 D C -0.523 175.770 176.300 -0.012 0.000 1.114 374 D CA 0.490 54.487 54.000 -0.005 0.000 0.886 374 D CB -1.553 39.242 40.800 -0.008 0.000 1.096 374 D HN 0.476 nan 8.370 nan 0.000 0.431 375 Q N 0.049 119.842 119.800 -0.013 0.000 2.771 375 Q HA 0.602 4.940 4.340 -0.003 0.000 0.247 375 Q C -0.203 175.789 176.000 -0.014 0.000 0.986 375 Q CA -0.066 55.720 55.803 -0.028 0.000 0.713 375 Q CB 1.571 30.286 28.738 -0.038 0.000 1.241 375 Q HN 0.349 nan 8.270 nan 0.000 0.488 376 A N 1.038 123.860 122.820 0.003 0.000 2.653 376 A HA 0.179 4.498 4.320 -0.003 0.000 0.227 376 A C 0.398 178.034 177.584 0.087 0.000 1.066 376 A CA 0.825 52.898 52.037 0.060 0.000 0.771 376 A CB 0.310 19.374 19.000 0.106 0.000 0.980 376 A HN 0.542 nan 8.150 nan 0.000 0.507 377 S N -0.383 115.414 115.700 0.162 0.000 2.874 377 S HA 0.680 5.149 4.470 -0.003 0.000 0.318 377 S C -0.314 174.473 174.600 0.312 0.000 1.109 377 S CA -0.608 57.711 58.200 0.198 0.000 0.878 377 S CB 0.991 64.251 63.200 0.101 0.000 1.307 377 S HN 0.704 nan 8.310 nan 0.000 0.592 378 M N 2.593 122.324 119.600 0.218 0.000 3.266 378 M HA 0.450 4.928 4.480 -0.003 0.000 0.260 378 M C -2.225 174.103 176.300 0.048 0.000 1.319 378 M CA -2.619 52.758 55.300 0.129 0.000 1.412 378 M CB 0.338 33.033 32.600 0.159 0.000 1.113 378 M HN 0.270 nan 8.290 nan 0.000 0.588 379 P HA -0.023 nan 4.420 nan 0.000 0.225 379 P C -0.501 176.790 177.300 -0.015 0.000 1.148 379 P CA 0.988 64.091 63.100 0.006 0.000 0.779 379 P CB 0.228 31.928 31.700 0.000 0.000 0.780 380 D N -1.809 118.569 120.400 -0.036 0.000 2.757 380 D HA 0.141 4.780 4.640 -0.003 0.000 0.249 380 D C 0.578 176.852 176.300 -0.044 0.000 1.168 380 D CA -0.543 53.429 54.000 -0.046 0.000 0.870 380 D CB 0.841 41.599 40.800 -0.069 0.000 1.411 380 D HN -0.323 nan 8.370 nan 0.000 0.525 381 N N 0.882 119.566 118.700 -0.028 0.000 2.132 381 N HA -0.136 4.603 4.740 -0.003 0.000 0.187 381 N C 1.836 177.324 175.510 -0.037 0.000 1.038 381 N CA 1.845 54.884 53.050 -0.018 0.000 0.846 381 N CB -0.792 37.691 38.487 -0.006 0.000 1.012 381 N HN 0.713 nan 8.380 nan 0.000 0.429 382 T N 0.592 115.119 114.554 -0.045 0.000 2.634 382 T HA -0.346 4.002 4.350 -0.003 0.000 0.256 382 T C 1.828 176.481 174.700 -0.078 0.000 1.131 382 T CA 2.697 64.763 62.100 -0.057 0.000 1.149 382 T CB -0.911 67.918 68.868 -0.066 0.000 0.849 382 T HN 0.274 nan 8.240 nan 0.000 0.457 383 A N 2.847 125.608 122.820 -0.099 0.000 2.106 383 A HA 0.127 4.445 4.320 -0.003 0.000 0.207 383 A C 2.988 180.508 177.584 -0.107 0.000 1.226 383 A CA 3.321 55.284 52.037 -0.124 0.000 0.783 383 A CB -1.749 17.161 19.000 -0.151 0.000 0.826 383 A HN 1.554 nan 8.150 nan 0.000 0.507 384 A N -1.211 121.560 122.820 -0.082 0.000 2.076 384 A HA -0.232 4.087 4.320 -0.003 0.000 0.220 384 A C 2.178 179.684 177.584 -0.130 0.000 1.160 384 A CA 2.116 54.090 52.037 -0.105 0.000 0.653 384 A CB -0.732 18.314 19.000 0.076 0.000 0.801 384 A HN 0.790 nan 8.150 nan 0.000 0.455 385 Q N 0.051 119.810 119.800 -0.068 0.000 2.014 385 Q HA -0.281 4.057 4.340 -0.003 0.000 0.207 385 Q C 1.948 177.921 176.000 -0.044 0.000 0.993 385 Q CA 2.253 58.028 55.803 -0.046 0.000 0.850 385 Q CB -0.211 28.509 28.738 -0.029 0.000 0.916 385 Q HN 0.698 nan 8.270 nan 0.000 0.417 386 K N -0.259 120.109 120.400 -0.052 0.000 1.965 386 K HA -0.126 4.192 4.320 -0.003 0.000 0.214 386 K C 2.236 178.804 176.600 -0.054 0.000 1.046 386 K CA 1.551 57.815 56.287 -0.038 0.000 0.944 386 K CB -0.425 32.031 32.500 -0.073 0.000 0.726 386 K HN 0.068 nan 8.250 nan 0.000 0.441 387 V N 1.589 121.435 119.914 -0.113 0.000 2.257 387 V HA -0.430 3.689 4.120 -0.003 0.000 0.257 387 V C 2.402 178.375 176.094 -0.201 0.000 1.077 387 V CA 2.028 64.235 62.300 -0.154 0.000 1.063 387 V CB -0.630 31.060 31.823 -0.222 0.000 0.664 387 V HN 0.518 nan 8.190 nan 0.000 0.450 388 C N -1.036 118.085 119.300 -0.298 0.000 2.422 388 C HA -0.121 4.338 4.460 -0.003 0.000 0.286 388 C C 2.557 177.499 174.990 -0.080 0.000 1.412 388 C CA 0.972 59.818 59.018 -0.287 0.000 1.786 388 C CB -1.590 25.966 27.740 -0.307 0.000 1.835 388 C HN 0.748 nan 8.230 nan 0.000 0.533 389 H N 0.887 119.883 119.070 -0.125 0.000 2.343 389 H HA 0.045 4.600 4.556 -0.003 0.000 0.303 389 H C 1.982 177.280 175.328 -0.050 0.000 1.068 389 H CA 1.431 57.437 56.048 -0.071 0.000 1.359 389 H CB -0.443 29.286 29.762 -0.054 0.000 1.402 389 H HN 0.403 nan 8.280 nan 0.000 0.515 390 L N -0.405 120.895 121.223 0.129 0.000 2.201 390 L HA -0.111 4.228 4.340 -0.003 0.000 0.212 390 L C 2.468 179.378 176.870 0.066 0.000 1.105 390 L CA 0.926 55.803 54.840 0.062 0.000 0.775 390 L CB -0.387 41.675 42.059 0.005 0.000 0.913 390 L HN 0.185 nan 8.230 nan 0.000 0.440 391 M N -0.472 119.142 119.600 0.024 0.000 2.595 391 M HA 0.111 4.590 4.480 -0.003 0.000 0.248 391 M C 1.360 177.666 176.300 0.009 0.000 1.119 391 M CA 0.760 56.063 55.300 0.004 0.000 1.079 391 M CB 0.142 32.705 32.600 -0.062 0.000 1.472 391 M HN 0.343 nan 8.290 nan 0.000 0.501 392 G N 1.616 110.432 108.800 0.028 0.000 2.168 392 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.257 392 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.257 392 G C 0.262 175.147 174.900 -0.024 0.000 0.997 392 G CA 0.809 45.916 45.100 0.010 0.000 0.708 392 G HN 0.615 nan 8.290 nan 0.000 0.520 393 I N -3.755 116.790 120.570 -0.042 0.000 4.126 393 I HA 0.750 4.918 4.170 -0.003 0.000 0.245 393 I C 0.210 176.299 176.117 -0.047 0.000 1.367 393 I CA -1.362 59.913 61.300 -0.043 0.000 1.178 393 I CB 1.294 39.270 38.000 -0.040 0.000 1.495 393 I HN 0.057 nan 8.210 nan 0.000 0.561 394 N N -0.159 118.531 118.700 -0.016 0.000 2.229 394 N HA 0.315 5.054 4.740 -0.003 0.000 0.298 394 N C 0.379 175.918 175.510 0.048 0.000 1.114 394 N CA -0.490 52.557 53.050 -0.004 0.000 0.776 394 N CB 2.510 40.999 38.487 0.003 0.000 1.501 394 N HN 0.662 nan 8.380 nan 0.000 0.474 395 V N 1.584 121.515 119.914 0.028 0.000 2.259 395 V HA -0.231 3.887 4.120 -0.003 0.000 0.229 395 V C 2.565 178.744 176.094 0.142 0.000 1.012 395 V CA 2.628 64.975 62.300 0.077 0.000 0.995 395 V CB -2.120 29.725 31.823 0.036 0.000 0.645 395 V HN 0.912 nan 8.190 nan 0.000 0.468 396 T N -0.063 114.541 114.554 0.084 0.000 2.634 396 T HA -0.453 3.895 4.350 -0.003 0.000 0.256 396 T C 1.318 176.063 174.700 0.075 0.000 1.131 396 T CA 2.802 64.944 62.100 0.069 0.000 1.149 396 T CB -1.585 67.305 68.868 0.037 0.000 0.849 396 T HN 0.673 nan 8.240 nan 0.000 0.457 397 D N 1.031 121.474 120.400 0.071 0.000 2.095 397 D HA -0.007 4.631 4.640 -0.003 0.000 0.192 397 D C 1.636 177.986 176.300 0.082 0.000 0.990 397 D CA 1.475 55.509 54.000 0.056 0.000 0.836 397 D CB -0.619 40.210 40.800 0.048 0.000 0.979 397 D HN 0.388 nan 8.370 nan 0.000 0.447 398 F N 1.782 121.723 119.950 -0.016 0.000 2.039 398 F HA -0.359 4.166 4.527 -0.003 0.000 0.296 398 F C 2.281 178.092 175.800 0.018 0.000 1.119 398 F CA 2.423 60.418 58.000 -0.008 0.000 1.211 398 F CB -1.006 37.992 39.000 -0.002 0.000 0.956 398 F HN -0.034 nan 8.300 nan 0.000 0.496 399 T N 1.134 115.797 114.554 0.181 0.000 2.565 399 T HA -0.364 3.984 4.350 -0.003 0.000 0.265 399 T C 2.076 176.753 174.700 -0.037 0.000 1.082 399 T CA 1.871 64.027 62.100 0.093 0.000 1.173 399 T CB -0.781 68.177 68.868 0.150 0.000 0.864 399 T HN 0.346 nan 8.240 nan 0.000 0.425 400 R N 1.326 121.813 120.500 -0.020 0.000 2.132 400 R HA -0.187 4.152 4.340 -0.003 0.000 0.233 400 R C 2.675 178.911 176.300 -0.106 0.000 1.125 400 R CA 2.377 58.448 56.100 -0.049 0.000 0.914 400 R CB -0.873 29.410 30.300 -0.029 0.000 0.845 400 R HN 0.490 nan 8.270 nan 0.000 0.431 401 S N 0.787 116.412 115.700 -0.124 0.000 2.389 401 S HA -0.221 4.248 4.470 -0.003 0.000 0.231 401 S C 1.946 176.403 174.600 -0.239 0.000 1.052 401 S CA 1.704 59.805 58.200 -0.165 0.000 1.053 401 S CB -0.408 62.690 63.200 -0.171 0.000 0.886 401 S HN 0.329 nan 8.310 nan 0.000 0.456 402 I N 0.556 120.914 120.570 -0.354 0.000 2.546 402 I HA 0.002 4.170 4.170 -0.003 0.000 0.255 402 I C 1.796 177.720 176.117 -0.321 0.000 1.163 402 I CA 0.976 62.039 61.300 -0.394 0.000 1.457 402 I CB -0.189 37.468 38.000 -0.571 0.000 1.092 402 I HN 0.210 nan 8.210 nan 0.000 0.434 403 L N -1.390 119.683 121.223 -0.250 0.000 2.347 403 L HA 0.130 4.468 4.340 -0.003 0.000 0.196 403 L C 0.979 177.741 176.870 -0.180 0.000 1.072 403 L CA 0.651 55.334 54.840 -0.260 0.000 0.817 403 L CB -0.493 41.472 42.059 -0.157 0.000 1.029 403 L HN 0.154 nan 8.230 nan 0.000 0.478 404 T N -0.605 113.873 114.554 -0.127 0.000 2.947 404 T HA 0.387 4.736 4.350 -0.003 0.000 0.337 404 T C -2.678 171.969 174.700 -0.088 0.000 1.139 404 T CA -2.311 59.733 62.100 -0.093 0.000 0.992 404 T CB 0.783 69.612 68.868 -0.065 0.000 1.043 404 T HN -0.138 nan 8.240 nan 0.000 0.498 405 P HA 0.149 nan 4.420 nan 0.000 0.268 405 P C 0.283 177.550 177.300 -0.056 0.000 1.282 405 P CA -0.357 62.698 63.100 -0.075 0.000 0.880 405 P CB 0.386 32.045 31.700 -0.069 0.000 0.971 406 R N 3.197 123.666 120.500 -0.052 0.000 4.160 406 R HA 0.042 4.380 4.340 -0.003 0.000 0.216 406 R C 1.116 177.396 176.300 -0.034 0.000 2.009 406 R CA -0.412 55.664 56.100 -0.040 0.000 1.664 406 R CB -1.101 29.177 30.300 -0.037 0.000 1.216 406 R HN 0.540 nan 8.270 nan 0.000 0.648 407 I N -1.748 118.801 120.570 -0.034 0.000 3.576 407 I HA -0.051 4.117 4.170 -0.003 0.000 0.231 407 I C 0.262 176.366 176.117 -0.022 0.000 1.331 407 I CA 0.538 61.822 61.300 -0.027 0.000 1.063 407 I CB 0.427 38.413 38.000 -0.024 0.000 1.517 407 I HN -0.113 nan 8.210 nan 0.000 0.817 408 K N 2.414 122.803 120.400 -0.017 0.000 2.984 408 K HA 0.337 4.655 4.320 -0.003 0.000 0.211 408 K C -1.635 174.958 176.600 -0.013 0.000 1.174 408 K CA -0.455 55.823 56.287 -0.015 0.000 0.978 408 K CB 1.000 33.491 32.500 -0.015 0.000 1.212 408 K HN 0.611 nan 8.250 nan 0.000 0.589 409 V N 1.786 121.692 119.914 -0.013 0.000 2.843 409 V HA 0.153 4.271 4.120 -0.003 0.000 0.305 409 V C 1.697 177.784 176.094 -0.013 0.000 1.065 409 V CA 1.373 63.666 62.300 -0.011 0.000 1.116 409 V CB 1.019 32.836 31.823 -0.010 0.000 0.968 409 V HN 0.961 nan 8.190 nan 0.000 0.487 410 G N 5.254 114.046 108.800 -0.014 0.000 2.651 410 G HA2 -0.377 3.582 3.960 -0.003 0.000 0.387 410 G HA3 -0.377 3.582 3.960 -0.003 0.000 0.387 410 G C 0.584 175.474 174.900 -0.016 0.000 1.291 410 G CA 1.113 46.203 45.100 -0.017 0.000 0.958 410 G HN 0.995 nan 8.290 nan 0.000 0.549 411 R N 1.683 122.173 120.500 -0.016 0.000 2.752 411 R HA 0.372 4.710 4.340 -0.003 0.000 0.279 411 R C -0.460 175.832 176.300 -0.014 0.000 1.212 411 R CA 0.632 56.723 56.100 -0.015 0.000 1.169 411 R CB -0.409 29.883 30.300 -0.014 0.000 1.286 411 R HN 0.617 nan 8.270 nan 0.000 0.564 412 D N -0.398 119.994 120.400 -0.014 0.000 2.859 412 D HA 0.069 4.707 4.640 -0.003 0.000 0.223 412 D C -0.400 175.892 176.300 -0.014 0.000 1.218 412 D CA -0.888 53.104 54.000 -0.013 0.000 0.850 412 D CB 2.036 42.828 40.800 -0.013 0.000 1.656 412 D HN -0.169 nan 8.370 nan 0.000 0.484 413 V N 1.331 121.236 119.914 -0.015 0.000 2.836 413 V HA 0.000 4.119 4.120 -0.003 0.000 0.368 413 V C 0.650 176.734 176.094 -0.018 0.000 1.452 413 V CA -0.420 61.870 62.300 -0.016 0.000 1.586 413 V CB -0.026 31.788 31.823 -0.016 0.000 1.436 413 V HN 0.424 nan 8.190 nan 0.000 0.541 414 V N 2.815 122.718 119.914 -0.017 0.000 2.620 414 V HA -0.074 4.045 4.120 -0.003 0.000 0.250 414 V C 0.786 176.866 176.094 -0.023 0.000 0.990 414 V CA 0.304 62.593 62.300 -0.019 0.000 1.196 414 V CB -0.562 31.250 31.823 -0.018 0.000 1.075 414 V HN 0.922 nan 8.190 nan 0.000 0.473 415 Q N 5.507 125.293 119.800 -0.023 0.000 2.288 415 Q HA 0.496 4.835 4.340 -0.003 0.000 0.258 415 Q C -0.364 175.618 176.000 -0.030 0.000 0.957 415 Q CA -0.148 55.638 55.803 -0.027 0.000 0.919 415 Q CB 1.087 29.810 28.738 -0.025 0.000 1.185 415 Q HN 0.848 nan 8.270 nan 0.000 0.408 416 K N 1.649 122.027 120.400 -0.037 0.000 2.499 416 K HA 0.905 5.223 4.320 -0.003 0.000 0.277 416 K C -1.858 174.710 176.600 -0.053 0.000 1.025 416 K CA -0.742 55.520 56.287 -0.041 0.000 0.900 416 K CB 1.245 33.721 32.500 -0.040 0.000 1.494 416 K HN 0.531 nan 8.250 nan 0.000 0.442 417 A N 1.548 124.334 122.820 -0.056 0.000 2.359 417 A HA 0.435 4.753 4.320 -0.003 0.000 0.303 417 A C -1.135 176.402 177.584 -0.079 0.000 1.066 417 A CA -0.828 51.166 52.037 -0.072 0.000 0.730 417 A CB 1.180 20.143 19.000 -0.063 0.000 1.211 417 A HN 0.717 nan 8.150 nan 0.000 0.439 418 Q N 0.458 120.196 119.800 -0.104 0.000 2.414 418 Q HA 0.529 4.867 4.340 -0.003 0.000 0.206 418 Q C -0.037 175.898 176.000 -0.109 0.000 1.058 418 Q CA -0.325 55.413 55.803 -0.107 0.000 1.025 418 Q CB 0.349 29.010 28.738 -0.128 0.000 1.196 418 Q HN 0.696 nan 8.270 nan 0.000 0.586 419 T N -0.679 113.819 114.554 -0.094 0.000 2.867 419 T HA 0.138 4.487 4.350 -0.003 0.000 0.282 419 T C 0.831 175.486 174.700 -0.075 0.000 1.000 419 T CA -1.110 60.947 62.100 -0.071 0.000 1.042 419 T CB 1.579 70.420 68.868 -0.045 0.000 0.973 419 T HN 0.665 nan 8.240 nan 0.000 0.465 420 K N 1.711 122.082 120.400 -0.048 0.000 2.163 420 K HA -0.402 3.917 4.320 -0.003 0.000 0.222 420 K C 1.359 177.968 176.600 0.015 0.000 0.990 420 K CA 2.696 58.983 56.287 0.000 0.000 0.959 420 K CB -0.567 31.967 32.500 0.057 0.000 0.882 420 K HN 0.715 nan 8.250 nan 0.000 0.472 421 E N 0.729 120.947 120.200 0.031 0.000 2.026 421 E HA -0.213 4.136 4.350 -0.003 0.000 0.206 421 E C 2.287 178.931 176.600 0.073 0.000 1.028 421 E CA 2.262 58.703 56.400 0.067 0.000 0.845 421 E CB -0.395 29.332 29.700 0.046 0.000 0.772 421 E HN 0.531 nan 8.360 nan 0.000 0.462 422 Q N -0.041 119.763 119.800 0.007 0.000 2.217 422 Q HA -0.231 4.107 4.340 -0.003 0.000 0.209 422 Q C 2.171 178.159 176.000 -0.020 0.000 0.988 422 Q CA 1.448 57.248 55.803 -0.004 0.000 0.878 422 Q CB -0.407 28.284 28.738 -0.079 0.000 0.909 422 Q HN 0.329 nan 8.270 nan 0.000 0.424 423 A N 0.988 123.712 122.820 -0.159 0.000 2.024 423 A HA -0.223 4.095 4.320 -0.003 0.000 0.220 423 A C 1.111 178.587 177.584 -0.179 0.000 1.164 423 A CA 2.012 53.764 52.037 -0.475 0.000 0.643 423 A CB -0.172 18.244 19.000 -0.972 0.000 0.806 423 A HN 0.320 nan 8.150 nan 0.000 0.451 424 D N -2.202 118.272 120.400 0.124 0.000 2.490 424 D HA 0.087 4.726 4.640 -0.003 0.000 0.244 424 D C 1.364 177.803 176.300 0.231 0.000 0.979 424 D CA 0.381 54.550 54.000 0.280 0.000 0.924 424 D CB -0.406 40.561 40.800 0.278 0.000 1.075 424 D HN 0.317 nan 8.370 nan 0.000 0.488 425 F N 1.592 121.591 119.950 0.081 0.000 2.271 425 F HA -0.231 4.294 4.527 -0.003 0.000 0.302 425 F C 1.728 177.572 175.800 0.074 0.000 1.063 425 F CA 1.247 59.291 58.000 0.074 0.000 1.362 425 F CB 0.028 39.054 39.000 0.043 0.000 1.060 425 F HN -0.030 nan 8.300 nan 0.000 0.521 426 A N 0.097 123.065 122.820 0.248 0.000 1.884 426 A HA 0.025 4.344 4.320 -0.003 0.000 0.212 426 A C 2.012 179.664 177.584 0.113 0.000 1.265 426 A CA 0.765 52.897 52.037 0.158 0.000 0.626 426 A CB -1.201 17.861 19.000 0.104 0.000 0.943 426 A HN 0.322 nan 8.150 nan 0.000 0.466 427 I N 0.351 121.019 120.570 0.163 0.000 2.502 427 I HA -0.249 3.920 4.170 -0.003 0.000 0.258 427 I C 2.232 178.491 176.117 0.237 0.000 1.172 427 I CA 1.895 63.337 61.300 0.237 0.000 1.430 427 I CB 0.029 38.249 38.000 0.366 0.000 1.086 427 I HN 0.599 nan 8.210 nan 0.000 0.440 428 E N 0.913 121.218 120.200 0.176 0.000 2.022 428 E HA -0.104 4.245 4.350 -0.003 0.000 0.190 428 E C 2.025 178.648 176.600 0.038 0.000 0.973 428 E CA 0.961 57.460 56.400 0.164 0.000 0.816 428 E CB -0.301 29.458 29.700 0.098 0.000 0.781 428 E HN 0.401 nan 8.360 nan 0.000 0.456 429 A N 1.183 123.932 122.820 -0.118 0.000 2.277 429 A HA -0.055 4.264 4.320 -0.003 0.000 0.208 429 A C 1.835 179.426 177.584 0.012 0.000 1.202 429 A CA 0.757 52.705 52.037 -0.149 0.000 0.762 429 A CB -0.482 18.284 19.000 -0.390 0.000 0.770 429 A HN 0.371 nan 8.150 nan 0.000 0.487 430 L N -1.569 119.705 121.223 0.085 0.000 2.265 430 L HA 0.402 4.741 4.340 -0.003 0.000 0.195 430 L C 2.450 179.446 176.870 0.211 0.000 1.083 430 L CA 1.803 56.742 54.840 0.165 0.000 0.798 430 L CB -1.032 41.128 42.059 0.169 0.000 0.989 430 L HN 0.152 nan 8.230 nan 0.000 0.472 431 A N 0.736 123.672 122.820 0.193 0.000 1.865 431 A HA -0.306 4.012 4.320 -0.003 0.000 0.217 431 A C 2.385 180.022 177.584 0.089 0.000 1.191 431 A CA 2.479 54.620 52.037 0.173 0.000 0.623 431 A CB -0.937 18.174 19.000 0.184 0.000 0.826 431 A HN 0.631 nan 8.150 nan 0.000 0.444 432 K N -0.187 120.208 120.400 -0.008 0.000 2.144 432 K HA -0.163 4.155 4.320 -0.003 0.000 0.209 432 K C 1.749 178.376 176.600 0.045 0.000 1.047 432 K CA 2.035 58.290 56.287 -0.052 0.000 0.927 432 K CB -0.379 32.073 32.500 -0.081 0.000 0.716 432 K HN 0.358 nan 8.250 nan 0.000 0.454 433 A N 0.539 123.409 122.820 0.083 0.000 2.095 433 A HA 0.039 4.357 4.320 -0.003 0.000 0.212 433 A C 1.927 179.528 177.584 0.027 0.000 1.162 433 A CA 0.786 52.867 52.037 0.073 0.000 0.753 433 A CB -0.272 18.798 19.000 0.117 0.000 0.840 433 A HN 0.422 nan 8.150 nan 0.000 0.468 434 K N -1.149 119.338 120.400 0.144 0.000 2.211 434 K HA -0.114 4.205 4.320 -0.003 0.000 0.203 434 K C 1.550 178.115 176.600 -0.058 0.000 1.050 434 K CA 1.319 57.660 56.287 0.089 0.000 0.945 434 K CB -0.317 32.400 32.500 0.362 0.000 0.732 434 K HN 0.356 nan 8.250 nan 0.000 0.451 435 F N 2.151 122.022 119.950 -0.132 0.000 2.039 435 F HA -0.138 4.388 4.527 -0.003 0.000 0.294 435 F C 2.246 177.903 175.800 -0.238 0.000 1.130 435 F CA 1.927 59.812 58.000 -0.191 0.000 1.189 435 F CB -0.525 38.353 39.000 -0.203 0.000 0.983 435 F HN 0.116 nan 8.300 nan 0.000 0.471 436 E N 0.074 120.210 120.200 -0.107 0.000 2.187 436 E HA -0.290 4.058 4.350 -0.003 0.000 0.199 436 E C 2.317 178.767 176.600 -0.251 0.000 1.004 436 E CA 1.110 57.398 56.400 -0.187 0.000 0.813 436 E CB -0.165 29.490 29.700 -0.076 0.000 0.736 436 E HN 0.272 nan 8.360 nan 0.000 0.468 437 R N 0.103 120.404 120.500 -0.331 0.000 2.193 437 R HA -0.131 4.207 4.340 -0.003 0.000 0.229 437 R C 2.216 178.279 176.300 -0.395 0.000 1.110 437 R CA 0.471 56.310 56.100 -0.435 0.000 0.988 437 R CB -0.253 29.574 30.300 -0.788 0.000 0.871 437 R HN 0.249 nan 8.270 nan 0.000 0.458 438 L N -0.497 120.459 121.223 -0.444 0.000 2.071 438 L HA -0.013 4.325 4.340 -0.003 0.000 0.201 438 L C 1.957 178.649 176.870 -0.297 0.000 1.076 438 L CA 1.306 55.882 54.840 -0.440 0.000 0.755 438 L CB -0.949 40.729 42.059 -0.634 0.000 0.915 438 L HN -0.035 nan 8.230 nan 0.000 0.445 439 F N 0.781 120.387 119.950 -0.574 0.000 2.015 439 F HA -0.320 4.205 4.527 -0.003 0.000 0.297 439 F C 2.616 178.275 175.800 -0.235 0.000 1.141 439 F CA 1.922 59.672 58.000 -0.416 0.000 1.192 439 F CB -0.371 38.334 39.000 -0.491 0.000 0.957 439 F HN 0.033 nan 8.300 nan 0.000 0.491 440 R N -0.648 119.819 120.500 -0.056 0.000 2.185 440 R HA -0.269 4.069 4.340 -0.003 0.000 0.247 440 R C 1.941 178.144 176.300 -0.160 0.000 1.159 440 R CA 1.803 57.835 56.100 -0.115 0.000 0.988 440 R CB -1.630 28.637 30.300 -0.055 0.000 0.871 440 R HN 0.620 nan 8.270 nan 0.000 0.458 441 W N 1.084 122.202 121.300 -0.302 0.000 2.452 441 W HA -0.074 4.584 4.660 -0.003 0.000 0.313 441 W C 1.916 178.288 176.519 -0.246 0.000 1.176 441 W CA 0.774 57.962 57.345 -0.262 0.000 1.350 441 W CB -0.242 29.051 29.460 -0.279 0.000 1.148 441 W HN -0.167 nan 8.180 nan 0.000 0.498 442 I N 1.020 121.582 120.570 -0.012 0.000 2.091 442 I HA -0.342 3.826 4.170 -0.003 0.000 0.239 442 I C 2.506 178.452 176.117 -0.284 0.000 1.061 442 I CA 1.730 62.958 61.300 -0.120 0.000 1.317 442 I CB -1.825 36.251 38.000 0.126 0.000 1.031 442 I HN 0.141 nan 8.210 nan 0.000 0.401 443 L N 0.591 121.565 121.223 -0.414 0.000 2.197 443 L HA -0.261 4.077 4.340 -0.003 0.000 0.215 443 L C 2.239 178.922 176.870 -0.313 0.000 1.095 443 L CA 2.001 56.588 54.840 -0.422 0.000 0.764 443 L CB -0.344 41.375 42.059 -0.566 0.000 0.897 443 L HN 0.396 nan 8.230 nan 0.000 0.436 444 T N -3.748 110.584 114.554 -0.370 0.000 3.060 444 T HA 0.064 4.412 4.350 -0.003 0.000 0.249 444 T C 1.874 176.345 174.700 -0.382 0.000 1.079 444 T CA -0.238 61.660 62.100 -0.336 0.000 1.013 444 T CB 0.095 68.766 68.868 -0.329 0.000 0.975 444 T HN 0.097 nan 8.240 nan 0.000 0.518 445 R N 1.076 121.287 120.500 -0.482 0.000 2.090 445 R HA 0.276 4.615 4.340 -0.003 0.000 0.219 445 R C 2.333 178.598 176.300 -0.058 0.000 1.100 445 R CA 0.321 56.183 56.100 -0.397 0.000 0.991 445 R CB -1.064 28.787 30.300 -0.748 0.000 0.893 445 R HN 0.292 nan 8.270 nan 0.000 0.443 446 V N 2.050 121.943 119.914 -0.035 0.000 2.237 446 V HA -0.220 3.898 4.120 -0.003 0.000 0.245 446 V C 1.964 177.995 176.094 -0.105 0.000 1.046 446 V CA 1.710 63.967 62.300 -0.072 0.000 1.007 446 V CB -0.510 31.249 31.823 -0.108 0.000 0.638 446 V HN 0.347 nan 8.190 nan 0.000 0.445 447 N N -0.128 118.493 118.700 -0.131 0.000 2.588 447 N HA -0.182 4.556 4.740 -0.003 0.000 0.190 447 N C 1.692 177.134 175.510 -0.113 0.000 1.094 447 N CA 1.004 53.981 53.050 -0.122 0.000 0.921 447 N CB -0.102 38.304 38.487 -0.135 0.000 0.959 447 N HN 0.437 nan 8.380 nan 0.000 0.448 448 K N 0.110 120.441 120.400 -0.116 0.000 2.305 448 K HA 0.149 4.467 4.320 -0.003 0.000 0.199 448 K C 1.599 178.155 176.600 -0.073 0.000 1.047 448 K CA 0.663 56.889 56.287 -0.101 0.000 0.976 448 K CB 0.141 32.571 32.500 -0.117 0.000 0.765 448 K HN 0.059 nan 8.250 nan 0.000 0.474 449 A N 0.257 123.035 122.820 -0.069 0.000 1.920 449 A HA 0.141 4.460 4.320 -0.003 0.000 0.209 449 A C 1.684 179.230 177.584 -0.064 0.000 1.229 449 A CA 0.260 52.261 52.037 -0.059 0.000 0.671 449 A CB -0.386 18.577 19.000 -0.062 0.000 0.886 449 A HN 0.211 nan 8.150 nan 0.000 0.461 450 L N -0.058 121.119 121.223 -0.076 0.000 2.551 450 L HA -0.050 4.288 4.340 -0.003 0.000 0.230 450 L C 0.406 177.234 176.870 -0.070 0.000 1.163 450 L CA 0.897 55.692 54.840 -0.076 0.000 0.826 450 L CB -0.741 41.267 42.059 -0.085 0.000 0.943 450 L HN 0.395 nan 8.230 nan 0.000 0.452 459 S N -0.154 115.660 115.700 0.191 0.000 2.599 459 S HA 0.871 5.339 4.470 -0.003 0.000 0.287 459 S C -0.783 173.998 174.600 0.301 0.000 1.105 459 S CA -0.378 57.964 58.200 0.236 0.000 0.899 459 S CB 1.870 65.209 63.200 0.232 0.000 1.100 459 S HN 1.507 nan 8.310 nan 0.000 0.482 460 F N -0.154 119.864 119.950 0.114 0.000 2.591 460 F HA 0.823 5.348 4.527 -0.003 0.000 0.309 460 F C -1.851 174.005 175.800 0.093 0.000 1.098 460 F CA -1.263 56.742 58.000 0.008 0.000 0.937 460 F CB 1.002 39.990 39.000 -0.018 0.000 1.250 460 F HN 0.606 nan 8.300 nan 0.000 0.447 461 L N 3.212 124.492 121.223 0.095 0.000 2.307 461 L HA 0.861 5.200 4.340 -0.003 0.000 0.284 461 L C -0.067 176.831 176.870 0.047 0.000 1.023 461 L CA -0.349 54.519 54.840 0.047 0.000 0.810 461 L CB 1.693 43.915 42.059 0.272 0.000 1.231 461 L HN 1.014 nan 8.230 nan 0.000 0.423 462 G N 5.915 114.692 108.800 -0.040 0.000 2.370 462 G HA2 0.599 4.558 3.960 -0.003 0.000 0.317 462 G HA3 0.599 4.558 3.960 -0.003 0.000 0.317 462 G C -0.884 173.876 174.900 -0.234 0.000 1.162 462 G CA -0.414 44.609 45.100 -0.128 0.000 0.922 462 G HN 0.533 nan 8.290 nan 0.000 0.454 463 I N 2.672 123.018 120.570 -0.372 0.000 2.355 463 I HA 0.261 4.430 4.170 -0.003 0.000 0.288 463 I C -0.774 175.208 176.117 -0.226 0.000 0.999 463 I CA -0.786 60.381 61.300 -0.222 0.000 1.163 463 I CB 1.926 39.839 38.000 -0.145 0.000 1.316 463 I HN 0.221 nan 8.210 nan 0.000 0.454 464 L N 6.740 127.925 121.223 -0.063 0.000 2.280 464 L HA 0.450 4.788 4.340 -0.003 0.000 0.287 464 L C -0.587 176.321 176.870 0.063 0.000 1.023 464 L CA 0.045 54.936 54.840 0.085 0.000 0.819 464 L CB 1.094 43.284 42.059 0.218 0.000 1.212 464 L HN 0.512 nan 8.230 nan 0.000 0.420 465 D N 5.461 125.911 120.400 0.082 0.000 2.479 465 D HA 0.301 4.939 4.640 -0.003 0.000 0.247 465 D C -0.275 176.052 176.300 0.045 0.000 1.119 465 D CA -0.426 53.596 54.000 0.038 0.000 0.922 465 D CB 0.086 40.893 40.800 0.012 0.000 1.014 465 D HN 0.426 nan 8.370 nan 0.000 0.510 466 I N -0.102 120.479 120.570 0.018 0.000 2.970 466 I HA 0.737 4.906 4.170 -0.003 0.000 0.310 466 I C 0.379 176.476 176.117 -0.033 0.000 1.010 466 I CA -1.196 60.094 61.300 -0.017 0.000 1.228 466 I CB 1.024 38.991 38.000 -0.055 0.000 1.433 466 I HN 0.242 nan 8.210 nan 0.000 0.573 467 A N 2.415 125.209 122.820 -0.044 0.000 2.401 467 A HA 0.651 4.970 4.320 -0.003 0.000 0.259 467 A C 0.463 178.039 177.584 -0.014 0.000 1.103 467 A CA -0.049 51.960 52.037 -0.047 0.000 0.789 467 A CB -0.426 18.544 19.000 -0.049 0.000 1.035 467 A HN 1.108 nan 8.150 nan 0.000 0.491 468 G N 0.292 109.094 108.800 0.004 0.000 2.444 468 G HA2 0.432 4.391 3.960 -0.003 0.000 0.268 468 G HA3 0.432 4.391 3.960 -0.003 0.000 0.268 468 G C -0.163 174.789 174.900 0.087 0.000 1.203 468 G CA -0.584 44.550 45.100 0.057 0.000 0.835 468 G HN 0.682 nan 8.290 nan 0.000 0.543 469 F N 1.559 121.509 119.950 -0.001 0.000 2.460 469 F HA 0.004 4.530 4.527 -0.003 0.000 0.413 469 F C 1.123 176.874 175.800 -0.080 0.000 0.967 469 F CA 0.771 58.769 58.000 -0.003 0.000 1.122 469 F CB 0.333 39.346 39.000 0.022 0.000 0.927 469 F HN 0.579 nan 8.300 nan 0.000 0.527 470 E N 7.389 127.431 120.200 -0.263 0.000 2.272 470 E HA 0.560 4.909 4.350 -0.003 0.000 0.269 470 E C -1.189 175.072 176.600 -0.565 0.000 0.877 470 E CA -1.065 55.103 56.400 -0.387 0.000 0.755 470 E CB 2.312 31.815 29.700 -0.329 0.000 1.192 470 E HN 0.653 nan 8.360 nan 0.000 0.422 471 I N 2.368 122.529 120.570 -0.682 0.000 2.605 471 I HA 0.309 4.478 4.170 -0.003 0.000 0.276 471 I C -1.577 174.255 176.117 -0.476 0.000 1.161 471 I CA -0.732 60.264 61.300 -0.507 0.000 1.064 471 I CB 0.202 38.029 38.000 -0.287 0.000 1.238 471 I HN 0.521 nan 8.210 nan 0.000 0.487 472 F N 3.699 123.598 119.950 -0.085 0.000 2.407 472 F HA 0.485 5.011 4.527 -0.003 0.000 0.181 472 F C 1.682 177.443 175.800 -0.066 0.000 0.769 472 F CA -0.029 57.934 58.000 -0.061 0.000 1.031 472 F CB -0.254 38.724 39.000 -0.037 0.000 2.270 472 F HN 0.291 nan 8.300 nan 0.000 0.702 473 E N 0.583 120.915 120.200 0.219 0.000 2.052 473 E HA 0.171 4.520 4.350 -0.003 0.000 0.192 473 E C 0.566 177.210 176.600 0.073 0.000 0.958 473 E CA 0.600 57.055 56.400 0.091 0.000 0.835 473 E CB -0.505 29.239 29.700 0.073 0.000 0.811 473 E HN 0.329 nan 8.360 nan 0.000 0.462 474 I N 2.454 123.083 120.570 0.098 0.000 2.347 474 I HA 0.169 4.337 4.170 -0.003 0.000 0.294 474 I C -0.034 176.171 176.117 0.147 0.000 1.090 474 I CA -0.220 61.143 61.300 0.104 0.000 1.314 474 I CB 0.059 38.118 38.000 0.098 0.000 1.423 474 I HN -0.237 nan 8.210 nan 0.000 0.503 475 N N 4.896 123.666 118.700 0.117 0.000 3.188 475 N HA 0.118 4.856 4.740 -0.003 0.000 0.279 475 N C 0.242 176.008 175.510 0.427 0.000 1.213 475 N CA 0.079 53.209 53.050 0.134 0.000 1.138 475 N CB 0.684 39.035 38.487 -0.227 0.000 1.417 475 N HN 0.636 nan 8.380 nan 0.000 0.526 476 S N 0.274 116.218 115.700 0.407 0.000 2.658 476 S HA 0.030 4.498 4.470 -0.003 0.000 0.249 476 S C 1.466 176.393 174.600 0.546 0.000 1.363 476 S CA -0.333 58.188 58.200 0.535 0.000 0.964 476 S CB 0.312 63.706 63.200 0.324 0.000 0.973 476 S HN 0.362 nan 8.310 nan 0.000 0.588 477 F N 1.837 121.774 119.950 -0.022 0.000 2.046 477 F HA -0.072 4.454 4.527 -0.003 0.000 0.297 477 F C 2.072 177.687 175.800 -0.310 0.000 1.123 477 F CA 2.383 59.961 58.000 -0.703 0.000 1.199 477 F CB -1.397 36.997 39.000 -1.009 0.000 0.972 477 F HN 0.683 nan 8.300 nan 0.000 0.474 478 E N 0.286 120.365 120.200 -0.201 0.000 2.095 478 E HA -0.334 4.015 4.350 -0.003 0.000 0.212 478 E C 2.012 178.522 176.600 -0.151 0.000 1.044 478 E CA 2.329 58.590 56.400 -0.231 0.000 0.857 478 E CB -0.724 28.940 29.700 -0.061 0.000 0.764 478 E HN 0.411 nan 8.360 nan 0.000 0.462 479 Q N -0.301 119.526 119.800 0.045 0.000 2.248 479 Q HA -0.127 4.211 4.340 -0.003 0.000 0.208 479 Q C 2.026 178.155 176.000 0.214 0.000 0.984 479 Q CA 0.924 56.804 55.803 0.130 0.000 0.875 479 Q CB -0.240 28.631 28.738 0.222 0.000 0.910 479 Q HN 0.285 nan 8.270 nan 0.000 0.433 480 L N -0.789 120.505 121.223 0.118 0.000 2.044 480 L HA -0.116 4.223 4.340 -0.003 0.000 0.205 480 L C 1.720 178.511 176.870 -0.133 0.000 1.075 480 L CA 1.663 56.437 54.840 -0.111 0.000 0.747 480 L CB -0.555 41.268 42.059 -0.393 0.000 0.903 480 L HN 0.295 nan 8.230 nan 0.000 0.435 481 C N -0.728 118.378 119.300 -0.322 0.000 2.457 481 C HA 0.015 4.473 4.460 -0.003 0.000 0.278 481 C C 2.649 177.613 174.990 -0.044 0.000 1.309 481 C CA 0.174 59.094 59.018 -0.164 0.000 1.735 481 C CB -1.063 26.371 27.740 -0.510 0.000 1.992 481 C HN 0.565 nan 8.230 nan 0.000 0.493 482 I N 2.117 122.605 120.570 -0.136 0.000 2.113 482 I HA -0.215 3.953 4.170 -0.003 0.000 0.238 482 I C 1.972 178.039 176.117 -0.083 0.000 1.070 482 I CA 1.775 63.012 61.300 -0.105 0.000 1.332 482 I CB -0.370 37.572 38.000 -0.096 0.000 1.044 482 I HN 0.314 nan 8.210 nan 0.000 0.402 483 N N -0.507 118.119 118.700 -0.124 0.000 2.573 483 N HA -0.202 4.536 4.740 -0.003 0.000 0.187 483 N C 1.364 176.772 175.510 -0.171 0.000 1.107 483 N CA 0.540 53.437 53.050 -0.254 0.000 0.918 483 N CB -0.215 37.959 38.487 -0.521 0.000 0.966 483 N HN 0.420 nan 8.380 nan 0.000 0.448 484 Y N 1.321 121.521 120.300 -0.167 0.000 2.138 484 Y HA -0.086 4.463 4.550 -0.003 0.000 0.286 484 Y C 2.093 177.949 175.900 -0.074 0.000 1.115 484 Y CA 1.448 59.485 58.100 -0.104 0.000 1.105 484 Y CB -0.925 37.518 38.460 -0.028 0.000 1.004 484 Y HN 0.012 nan 8.280 nan 0.000 0.494 485 T N 1.118 115.470 114.554 -0.336 0.000 2.665 485 T HA -0.267 4.082 4.350 -0.003 0.000 0.268 485 T C 1.835 176.372 174.700 -0.272 0.000 1.035 485 T CA 1.841 63.702 62.100 -0.398 0.000 1.151 485 T CB -0.684 68.071 68.868 -0.188 0.000 0.862 485 T HN 0.466 nan 8.240 nan 0.000 0.438 486 N N 0.728 119.346 118.700 -0.138 0.000 2.061 486 N HA -0.186 4.553 4.740 -0.003 0.000 0.193 486 N C 2.121 177.437 175.510 -0.324 0.000 1.030 486 N CA 1.633 54.648 53.050 -0.058 0.000 0.856 486 N CB -0.181 38.450 38.487 0.241 0.000 1.023 486 N HN 0.544 nan 8.380 nan 0.000 0.424 487 E N 1.279 121.273 120.200 -0.343 0.000 2.106 487 E HA -0.109 4.239 4.350 -0.003 0.000 0.192 487 E C 1.941 178.325 176.600 -0.360 0.000 0.984 487 E CA 0.963 57.054 56.400 -0.516 0.000 0.806 487 E CB 0.205 29.814 29.700 -0.153 0.000 0.750 487 E HN 0.083 nan 8.360 nan 0.000 0.458 488 K N 0.359 120.568 120.400 -0.318 0.000 1.973 488 K HA -0.156 4.162 4.320 -0.003 0.000 0.212 488 K C 2.075 178.558 176.600 -0.196 0.000 1.047 488 K CA 1.060 57.176 56.287 -0.284 0.000 0.937 488 K CB -0.758 31.461 32.500 -0.468 0.000 0.721 488 K HN 0.221 nan 8.250 nan 0.000 0.440 489 L N 2.255 123.364 121.223 -0.189 0.000 1.997 489 L HA -0.279 4.059 4.340 -0.003 0.000 0.216 489 L C 2.535 179.376 176.870 -0.048 0.000 1.074 489 L CA 2.100 56.892 54.840 -0.080 0.000 0.763 489 L CB -1.477 40.549 42.059 -0.055 0.000 0.890 489 L HN 0.315 nan 8.230 nan 0.000 0.434 490 Q N -0.171 119.530 119.800 -0.166 0.000 2.062 490 Q HA -0.331 4.007 4.340 -0.003 0.000 0.209 490 Q C 2.302 178.291 176.000 -0.017 0.000 0.996 490 Q CA 2.710 58.425 55.803 -0.148 0.000 0.859 490 Q CB -0.651 27.860 28.738 -0.377 0.000 0.920 490 Q HN 0.618 nan 8.270 nan 0.000 0.415 491 Q N -0.614 119.158 119.800 -0.048 0.000 2.197 491 Q HA -0.161 4.178 4.340 -0.003 0.000 0.207 491 Q C 1.771 177.827 176.000 0.093 0.000 0.984 491 Q CA 1.640 57.470 55.803 0.045 0.000 0.869 491 Q CB -0.616 28.137 28.738 0.024 0.000 0.906 491 Q HN 0.525 nan 8.270 nan 0.000 0.426 492 L N -0.290 120.979 121.223 0.076 0.000 2.017 492 L HA -0.094 4.245 4.340 -0.003 0.000 0.208 492 L C 2.029 178.997 176.870 0.164 0.000 1.073 492 L CA 2.029 56.945 54.840 0.126 0.000 0.745 492 L CB -1.356 40.795 42.059 0.152 0.000 0.894 492 L HN 0.428 nan 8.230 nan 0.000 0.432 493 F N 0.852 120.750 119.950 -0.086 0.000 2.161 493 F HA -0.236 4.289 4.527 -0.003 0.000 0.300 493 F C 2.238 177.836 175.800 -0.336 0.000 1.089 493 F CA 2.115 59.831 58.000 -0.475 0.000 1.282 493 F CB -0.492 37.941 39.000 -0.944 0.000 1.010 493 F HN 0.331 nan 8.300 nan 0.000 0.485 494 N N -1.101 117.589 118.700 -0.016 0.000 2.120 494 N HA -0.240 4.498 4.740 -0.003 0.000 0.188 494 N C 1.638 177.177 175.510 0.049 0.000 1.024 494 N CA 1.362 54.486 53.050 0.124 0.000 0.852 494 N CB -0.494 38.159 38.487 0.278 0.000 1.003 494 N HN 0.407 nan 8.380 nan 0.000 0.424 495 H N 1.106 120.159 119.070 -0.028 0.000 2.261 495 H HA -0.052 4.503 4.556 -0.003 0.000 0.301 495 H C 2.090 177.350 175.328 -0.113 0.000 1.067 495 H CA 2.538 58.578 56.048 -0.014 0.000 1.297 495 H CB -0.327 29.441 29.762 0.009 0.000 1.377 495 H HN 0.179 nan 8.280 nan 0.000 0.492 496 T N -1.409 113.143 114.554 -0.003 0.000 2.929 496 T HA -0.178 4.170 4.350 -0.003 0.000 0.271 496 T C 1.916 176.395 174.700 -0.368 0.000 1.085 496 T CA 1.466 63.502 62.100 -0.107 0.000 1.125 496 T CB -0.150 68.726 68.868 0.013 0.000 0.874 496 T HN 0.163 nan 8.240 nan 0.000 0.494 497 M N 0.064 119.227 119.600 -0.728 0.000 2.325 497 M HA 0.344 4.822 4.480 -0.003 0.000 0.265 497 M C 0.994 176.607 176.300 -1.145 0.000 1.094 497 M CA 1.052 55.620 55.300 -1.220 0.000 1.161 497 M CB -0.071 31.152 32.600 -2.296 0.000 1.358 497 M HN 0.320 nan 8.290 nan 0.000 0.446 498 F N -1.868 117.838 119.950 -0.405 0.000 2.532 498 F HA 0.301 4.827 4.527 -0.003 0.000 0.278 498 F C 1.834 177.548 175.800 -0.142 0.000 0.975 498 F CA -0.074 57.746 58.000 -0.300 0.000 1.292 498 F CB -0.738 38.105 39.000 -0.262 0.000 1.112 498 F HN -0.149 nan 8.300 nan 0.000 0.703 499 I N 0.914 121.508 120.570 0.039 0.000 2.045 499 I HA -0.315 3.853 4.170 -0.003 0.000 0.233 499 I C 2.343 178.384 176.117 -0.127 0.000 1.048 499 I CA 1.748 63.005 61.300 -0.071 0.000 1.313 499 I CB -0.867 36.855 38.000 -0.464 0.000 1.043 499 I HN 0.117 nan 8.210 nan 0.000 0.393 500 L N 0.405 121.484 121.223 -0.240 0.000 1.971 500 L HA -0.282 4.057 4.340 -0.003 0.000 0.215 500 L C 2.699 179.457 176.870 -0.187 0.000 1.072 500 L CA 1.895 56.646 54.840 -0.147 0.000 0.758 500 L CB -0.725 41.287 42.059 -0.079 0.000 0.889 500 L HN 0.320 nan 8.230 nan 0.000 0.433 501 E N 0.223 120.267 120.200 -0.260 0.000 2.086 501 E HA -0.312 4.037 4.350 -0.003 0.000 0.200 501 E C 2.174 178.365 176.600 -0.681 0.000 1.012 501 E CA 1.826 57.959 56.400 -0.446 0.000 0.812 501 E CB -0.104 29.358 29.700 -0.396 0.000 0.743 501 E HN 0.403 nan 8.360 nan 0.000 0.453 502 Q N -0.528 119.082 119.800 -0.317 0.000 2.230 502 Q HA -0.110 4.229 4.340 -0.003 0.000 0.202 502 Q C 1.992 177.967 176.000 -0.042 0.000 0.963 502 Q CA 1.175 56.898 55.803 -0.133 0.000 0.866 502 Q CB 0.107 29.008 28.738 0.270 0.000 0.931 502 Q HN 0.396 nan 8.270 nan 0.000 0.452 503 E N 0.555 120.731 120.200 -0.039 0.000 2.038 503 E HA -0.261 4.088 4.350 -0.003 0.000 0.195 503 E C 1.828 178.397 176.600 -0.052 0.000 1.000 503 E CA 1.405 57.808 56.400 0.005 0.000 0.803 503 E CB -0.083 29.616 29.700 -0.001 0.000 0.750 503 E HN 0.351 nan 8.360 nan 0.000 0.448 504 E N 0.438 120.547 120.200 -0.153 0.000 2.204 504 E HA -0.201 4.147 4.350 -0.003 0.000 0.195 504 E C 1.740 178.257 176.600 -0.138 0.000 0.990 504 E CA 0.942 57.276 56.400 -0.111 0.000 0.821 504 E CB -0.206 29.436 29.700 -0.096 0.000 0.750 504 E HN 0.234 nan 8.360 nan 0.000 0.477 505 Y N 0.631 120.730 120.300 -0.335 0.000 2.181 505 Y HA -0.112 4.436 4.550 -0.003 0.000 0.288 505 Y C 2.378 178.103 175.900 -0.292 0.000 1.146 505 Y CA 1.376 59.110 58.100 -0.609 0.000 1.164 505 Y CB -0.874 37.057 38.460 -0.881 0.000 0.982 505 Y HN 0.168 nan 8.280 nan 0.000 0.515 506 Q N -0.265 119.567 119.800 0.054 0.000 1.993 506 Q HA -0.154 4.184 4.340 -0.003 0.000 0.202 506 Q C 2.446 178.469 176.000 0.037 0.000 0.984 506 Q CA 1.591 57.445 55.803 0.085 0.000 0.837 506 Q CB -0.169 28.640 28.738 0.117 0.000 0.902 506 Q HN 0.263 nan 8.270 nan 0.000 0.423 507 R N 0.263 120.779 120.500 0.025 0.000 2.143 507 R HA -0.212 4.126 4.340 -0.003 0.000 0.239 507 R C 2.052 178.370 176.300 0.030 0.000 1.126 507 R CA 1.703 57.818 56.100 0.026 0.000 0.927 507 R CB -0.399 29.915 30.300 0.023 0.000 0.860 507 R HN 0.286 nan 8.270 nan 0.000 0.433 508 E N -0.585 119.641 120.200 0.044 0.000 2.333 508 E HA -0.077 4.271 4.350 -0.003 0.000 0.198 508 E C 0.855 177.474 176.600 0.032 0.000 1.007 508 E CA 1.005 57.449 56.400 0.073 0.000 0.845 508 E CB -0.179 29.664 29.700 0.237 0.000 0.766 508 E HN 0.638 nan 8.360 nan 0.000 0.507 509 G N 2.172 110.973 108.800 0.002 0.000 2.324 509 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.292 509 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.292 509 G C 0.311 175.199 174.900 -0.020 0.000 1.079 509 G CA 0.572 45.676 45.100 0.006 0.000 1.026 509 G HN 0.351 nan 8.290 nan 0.000 0.506 510 I N -3.039 117.472 120.570 -0.097 0.000 2.797 510 I HA 0.610 4.779 4.170 -0.003 0.000 0.310 510 I C 0.841 176.915 176.117 -0.072 0.000 0.990 510 I CA -1.277 59.931 61.300 -0.154 0.000 1.228 510 I CB 1.050 38.791 38.000 -0.431 0.000 1.406 510 I HN 0.171 nan 8.210 nan 0.000 0.534 511 E N 5.159 125.322 120.200 -0.061 0.000 1.939 511 E HA -0.039 4.310 4.350 -0.003 0.000 0.259 511 E C -1.655 174.987 176.600 0.070 0.000 1.259 511 E CA -0.083 56.318 56.400 0.003 0.000 0.971 511 E CB 0.323 30.023 29.700 0.001 0.000 1.055 511 E HN 0.647 nan 8.360 nan 0.000 0.420 512 W N 5.882 127.105 121.300 -0.129 0.000 3.372 512 W HA 0.250 4.908 4.660 -0.003 0.000 0.315 512 W C -1.865 174.641 176.519 -0.022 0.000 1.223 512 W CA -0.768 56.507 57.345 -0.116 0.000 1.202 512 W CB 1.163 30.480 29.460 -0.238 0.000 1.367 512 W HN 0.483 nan 8.180 nan 0.000 0.531 513 N N 3.883 122.091 118.700 -0.820 0.000 2.361 513 N HA 0.372 5.111 4.740 -0.003 0.000 0.302 513 N C -0.964 174.035 175.510 -0.851 0.000 1.074 513 N CA -0.539 52.170 53.050 -0.569 0.000 0.850 513 N CB 2.476 40.735 38.487 -0.380 0.000 1.228 513 N HN 0.250 nan 8.380 nan 0.000 0.491 514 F N 1.280 121.054 119.950 -0.292 0.000 2.535 514 F HA 0.336 4.862 4.527 -0.003 0.000 0.332 514 F C -0.450 175.271 175.800 -0.132 0.000 1.208 514 F CA 0.128 58.123 58.000 -0.008 0.000 1.330 514 F CB 0.469 39.520 39.000 0.084 0.000 1.167 514 F HN 0.456 nan 8.300 nan 0.000 0.597 515 I N 3.497 123.525 120.570 -0.902 0.000 2.548 515 I HA 0.155 4.323 4.170 -0.003 0.000 0.287 515 I C -1.406 174.194 176.117 -0.861 0.000 1.103 515 I CA -0.502 60.392 61.300 -0.677 0.000 1.049 515 I CB 1.657 39.287 38.000 -0.616 0.000 1.232 515 I HN 0.375 nan 8.210 nan 0.000 0.429 516 D N 5.485 125.718 120.400 -0.278 0.000 2.411 516 D HA 0.273 4.912 4.640 -0.003 0.000 0.225 516 D C 0.516 176.648 176.300 -0.279 0.000 1.156 516 D CA 0.038 54.036 54.000 -0.002 0.000 0.874 516 D CB 0.451 41.371 40.800 0.201 0.000 1.034 516 D HN 0.270 nan 8.370 nan 0.000 0.502 517 F N 1.527 121.375 119.950 -0.169 0.000 2.802 517 F HA 0.176 4.701 4.527 -0.003 0.000 0.300 517 F C 2.011 177.655 175.800 -0.260 0.000 1.168 517 F CA 0.239 58.051 58.000 -0.314 0.000 1.433 517 F CB -0.154 38.386 39.000 -0.766 0.000 1.115 517 F HN 0.549 nan 8.300 nan 0.000 0.582 518 G N 1.956 110.746 108.800 -0.016 0.000 2.352 518 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.283 518 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.283 518 G C -0.392 174.497 174.900 -0.018 0.000 0.946 518 G CA -0.078 45.023 45.100 0.002 0.000 1.317 518 G HN 0.402 nan 8.290 nan 0.000 0.478 519 L N 1.613 122.819 121.223 -0.030 0.000 2.514 519 L HA 0.437 4.775 4.340 -0.003 0.000 0.257 519 L C -0.852 176.065 176.870 0.078 0.000 1.101 519 L CA -0.632 54.203 54.840 -0.010 0.000 0.911 519 L CB 1.421 43.392 42.059 -0.147 0.000 1.162 519 L HN 0.385 nan 8.230 nan 0.000 0.477 520 D N 3.058 123.518 120.400 0.099 0.000 2.934 520 D HA 0.432 5.070 4.640 -0.003 0.000 0.230 520 D C -0.180 176.196 176.300 0.128 0.000 1.204 520 D CA -0.343 53.730 54.000 0.122 0.000 0.873 520 D CB 2.579 43.450 40.800 0.119 0.000 1.645 520 D HN 0.377 nan 8.370 nan 0.000 0.502 521 L N 2.039 123.340 121.223 0.130 0.000 3.184 521 L HA 0.201 4.539 4.340 -0.003 0.000 0.283 521 L C 1.722 178.681 176.870 0.147 0.000 1.218 521 L CA -0.450 54.474 54.840 0.140 0.000 1.028 521 L CB 0.440 42.569 42.059 0.116 0.000 1.400 521 L HN 0.217 nan 8.230 nan 0.000 0.591 522 Q N 2.088 121.971 119.800 0.138 0.000 2.082 522 Q HA -0.150 4.189 4.340 -0.003 0.000 0.211 522 Q C -0.633 175.468 176.000 0.168 0.000 1.002 522 Q CA 2.619 58.505 55.803 0.137 0.000 0.868 522 Q CB -1.219 27.594 28.738 0.125 0.000 0.931 522 Q HN 0.287 nan 8.270 nan 0.000 0.414 523 P HA -0.246 nan 4.420 nan 0.000 0.209 523 P C 1.332 178.813 177.300 0.302 0.000 1.167 523 P CA 1.733 64.984 63.100 0.252 0.000 0.941 523 P CB -0.681 31.171 31.700 0.254 0.000 0.787 524 C N -1.095 118.360 119.300 0.258 0.000 2.399 524 C HA -0.117 4.342 4.460 -0.003 0.000 0.296 524 C C 2.630 177.761 174.990 0.236 0.000 1.415 524 C CA 0.478 59.630 59.018 0.223 0.000 1.798 524 C CB -2.202 25.698 27.740 0.267 0.000 1.802 524 C HN 0.128 nan 8.230 nan 0.000 0.549 525 I N -0.224 120.486 120.570 0.232 0.000 2.628 525 I HA 0.005 4.173 4.170 -0.003 0.000 0.255 525 I C 2.371 178.609 176.117 0.201 0.000 1.119 525 I CA 0.575 62.027 61.300 0.254 0.000 1.448 525 I CB -0.785 37.357 38.000 0.237 0.000 1.133 525 I HN 0.152 nan 8.210 nan 0.000 0.438 526 E N 1.795 122.114 120.200 0.199 0.000 2.058 526 E HA -0.243 4.105 4.350 -0.003 0.000 0.194 526 E C 2.247 178.958 176.600 0.186 0.000 0.997 526 E CA 1.178 57.685 56.400 0.179 0.000 0.801 526 E CB -0.756 29.057 29.700 0.189 0.000 0.746 526 E HN 0.466 nan 8.360 nan 0.000 0.450 527 L N 0.422 121.791 121.223 0.243 0.000 2.450 527 L HA -0.115 4.223 4.340 -0.003 0.000 0.225 527 L C 1.981 178.919 176.870 0.113 0.000 1.145 527 L CA 0.957 55.888 54.840 0.152 0.000 0.801 527 L CB 0.050 41.978 42.059 -0.219 0.000 0.924 527 L HN 0.127 nan 8.230 nan 0.000 0.447 528 I N -3.052 117.567 120.570 0.082 0.000 4.779 528 I HA 0.003 4.172 4.170 -0.003 0.000 0.339 528 I C 1.562 177.603 176.117 -0.126 0.000 1.293 528 I CA 0.054 61.351 61.300 -0.005 0.000 1.324 528 I CB 0.368 38.340 38.000 -0.045 0.000 1.424 528 I HN 0.151 nan 8.210 nan 0.000 0.489 529 E N 1.507 121.684 120.200 -0.039 0.000 2.121 529 E HA 0.045 4.394 4.350 -0.003 0.000 0.194 529 E C 1.046 177.665 176.600 0.030 0.000 0.940 529 E CA -0.450 55.939 56.400 -0.018 0.000 0.884 529 E CB 0.138 29.909 29.700 0.117 0.000 0.874 529 E HN 0.224 nan 8.360 nan 0.000 0.471 530 R N 1.884 122.421 120.500 0.061 0.000 2.547 530 R HA -0.054 4.284 4.340 -0.003 0.000 0.269 530 R C -2.102 174.225 176.300 0.045 0.000 0.968 530 R CA 0.054 56.188 56.100 0.057 0.000 1.101 530 R CB 0.571 30.913 30.300 0.070 0.000 0.898 530 R HN 0.107 nan 8.270 nan 0.000 0.416 531 P HA 0.116 nan 4.420 nan 0.000 0.190 531 P C -0.391 176.928 177.300 0.033 0.000 1.151 531 P CA 0.332 63.452 63.100 0.034 0.000 0.838 531 P CB -0.507 31.210 31.700 0.029 0.000 0.704 532 T N -1.023 113.548 114.554 0.029 0.000 2.640 532 T HA 0.119 4.467 4.350 -0.003 0.000 0.316 532 T C 0.658 175.372 174.700 0.023 0.000 1.036 532 T CA -0.178 61.937 62.100 0.025 0.000 1.009 532 T CB -0.943 67.938 68.868 0.022 0.000 1.017 532 T HN 0.416 nan 8.240 nan 0.000 0.530 533 N N -0.991 117.720 118.700 0.018 0.000 6.631 533 N HA -0.129 4.609 4.740 -0.003 0.000 0.405 533 N C -2.931 172.589 175.510 0.017 0.000 0.935 533 N CA 0.103 53.162 53.050 0.015 0.000 1.347 533 N CB -2.084 36.414 38.487 0.017 0.000 0.808 533 N HN 0.554 nan 8.380 nan 0.000 0.362 534 P HA 0.039 nan 4.420 nan 0.000 0.245 534 P C -2.193 175.128 177.300 0.034 0.000 1.123 534 P CA 0.003 63.113 63.100 0.017 0.000 0.853 534 P CB -0.721 30.988 31.700 0.015 0.000 0.786 535 P HA 0.088 nan 4.420 nan 0.000 0.270 535 P C 0.719 178.049 177.300 0.051 0.000 1.227 535 P CA 0.306 63.427 63.100 0.035 0.000 0.788 535 P CB 0.593 32.308 31.700 0.026 0.000 0.926 536 G N -0.251 108.584 108.800 0.059 0.000 2.441 536 G HA2 0.344 4.303 3.960 -0.003 0.000 0.334 536 G HA3 0.344 4.303 3.960 -0.003 0.000 0.334 536 G C 0.991 175.946 174.900 0.091 0.000 1.161 536 G CA -0.720 44.423 45.100 0.072 0.000 0.935 536 G HN 0.276 nan 8.290 nan 0.000 0.488 537 V N 0.997 120.988 119.914 0.127 0.000 2.317 537 V HA -0.242 3.877 4.120 -0.003 0.000 0.251 537 V C 2.891 179.147 176.094 0.270 0.000 1.065 537 V CA 1.785 64.223 62.300 0.230 0.000 1.049 537 V CB -0.774 31.263 31.823 0.358 0.000 0.651 537 V HN 0.607 nan 8.190 nan 0.000 0.450 538 L N -0.556 120.762 121.223 0.158 0.000 2.046 538 L HA -0.159 4.179 4.340 -0.003 0.000 0.208 538 L C 2.700 179.612 176.870 0.069 0.000 1.077 538 L CA 1.417 56.325 54.840 0.113 0.000 0.747 538 L CB -0.746 41.337 42.059 0.041 0.000 0.896 538 L HN 0.382 nan 8.230 nan 0.000 0.432 539 A N 0.654 123.514 122.820 0.067 0.000 1.852 539 A HA -0.256 4.062 4.320 -0.003 0.000 0.217 539 A C 2.140 179.766 177.584 0.069 0.000 1.215 539 A CA 2.061 54.130 52.037 0.053 0.000 0.641 539 A CB -1.062 17.971 19.000 0.054 0.000 0.838 539 A HN 0.346 nan 8.150 nan 0.000 0.450 540 L N -1.332 119.966 121.223 0.126 0.000 1.951 540 L HA -0.250 4.089 4.340 -0.003 0.000 0.222 540 L C 2.492 179.460 176.870 0.163 0.000 1.078 540 L CA 1.783 56.736 54.840 0.188 0.000 0.778 540 L CB -1.079 41.139 42.059 0.265 0.000 0.893 540 L HN 0.432 nan 8.230 nan 0.000 0.436 541 L N -0.156 121.149 121.223 0.136 0.000 2.468 541 L HA -0.264 4.075 4.340 -0.003 0.000 0.225 541 L C 1.820 178.519 176.870 -0.285 0.000 1.139 541 L CA 1.612 56.214 54.840 -0.396 0.000 0.792 541 L CB -0.610 41.021 42.059 -0.713 0.000 0.916 541 L HN 0.307 nan 8.230 nan 0.000 0.446 542 D N -1.114 119.192 120.400 -0.157 0.000 2.214 542 D HA -0.140 4.498 4.640 -0.003 0.000 0.217 542 D C 1.970 178.139 176.300 -0.218 0.000 0.973 542 D CA 1.278 55.141 54.000 -0.228 0.000 0.880 542 D CB -0.111 40.608 40.800 -0.136 0.000 1.031 542 D HN 0.536 nan 8.370 nan 0.000 0.468 543 E N 1.442 121.630 120.200 -0.020 0.000 2.051 543 E HA -0.165 4.183 4.350 -0.003 0.000 0.189 543 E C 1.542 178.234 176.600 0.154 0.000 0.979 543 E CA 0.839 57.314 56.400 0.125 0.000 0.803 543 E CB -0.225 29.562 29.700 0.144 0.000 0.761 543 E HN 0.062 nan 8.360 nan 0.000 0.451 544 E N 0.484 120.758 120.200 0.124 0.000 2.455 544 E HA -0.137 4.211 4.350 -0.003 0.000 0.202 544 E C 1.853 178.504 176.600 0.086 0.000 1.045 544 E CA 0.778 57.285 56.400 0.179 0.000 0.872 544 E CB -0.421 29.404 29.700 0.209 0.000 0.792 544 E HN 0.383 nan 8.360 nan 0.000 0.542 545 C N -0.298 118.977 119.300 -0.042 0.000 2.594 545 C HA 0.071 4.529 4.460 -0.003 0.000 0.265 545 C C 0.722 175.677 174.990 -0.059 0.000 1.351 545 C CA -0.502 58.413 59.018 -0.172 0.000 1.744 545 C CB -0.747 26.750 27.740 -0.406 0.000 1.890 545 C HN 0.328 nan 8.230 nan 0.000 0.551 546 W N 1.783 123.129 121.300 0.076 0.000 1.853 546 W HA 0.473 5.132 4.660 -0.003 0.000 0.290 546 W C -0.544 176.095 176.519 0.200 0.000 0.821 546 W CA -0.907 56.497 57.345 0.098 0.000 2.222 546 W CB -0.020 29.484 29.460 0.074 0.000 2.392 546 W HN 0.262 nan 8.180 nan 0.000 0.420 547 F N 3.072 123.142 119.950 0.200 0.000 2.767 547 F HA 0.367 4.892 4.527 -0.003 0.000 0.341 547 F C -1.754 174.093 175.800 0.079 0.000 1.192 547 F CA -2.586 55.484 58.000 0.116 0.000 1.127 547 F CB 0.627 39.684 39.000 0.095 0.000 1.388 547 F HN -0.230 nan 8.300 nan 0.000 0.574 548 P HA -0.236 nan 4.420 nan 0.000 0.212 548 P C 0.365 177.352 177.300 -0.522 0.000 1.174 548 P CA 1.599 64.595 63.100 -0.172 0.000 0.934 548 P CB 0.145 31.868 31.700 0.038 0.000 0.791 549 K N 0.323 120.220 120.400 -0.838 0.000 3.358 549 K HA 0.290 4.609 4.320 -0.003 0.000 0.297 549 K C -0.117 175.915 176.600 -0.947 0.000 1.064 549 K CA -0.283 55.594 56.287 -0.683 0.000 1.144 549 K CB -0.654 31.755 32.500 -0.151 0.000 1.289 549 K HN 0.162 nan 8.250 nan 0.000 0.372 550 A N 0.537 122.865 122.820 -0.821 0.000 2.414 550 A HA 0.571 4.889 4.320 -0.003 0.000 0.306 550 A C -0.427 177.028 177.584 -0.215 0.000 1.054 550 A CA -0.683 51.079 52.037 -0.457 0.000 0.724 550 A CB 1.393 20.154 19.000 -0.399 0.000 1.267 550 A HN 0.250 nan 8.150 nan 0.000 0.418 551 T N -1.233 113.262 114.554 -0.099 0.000 2.883 551 T HA 0.440 4.789 4.350 -0.003 0.000 0.301 551 T C 0.038 174.751 174.700 0.021 0.000 1.158 551 T CA -0.531 61.540 62.100 -0.048 0.000 1.007 551 T CB 1.377 70.219 68.868 -0.043 0.000 1.186 551 T HN 0.468 nan 8.240 nan 0.000 0.499 552 D N 1.472 121.888 120.400 0.025 0.000 2.248 552 D HA -0.232 4.406 4.640 -0.003 0.000 0.191 552 D C 1.978 178.356 176.300 0.130 0.000 1.013 552 D CA 2.397 56.443 54.000 0.077 0.000 0.883 552 D CB -0.615 40.205 40.800 0.033 0.000 0.915 552 D HN 0.770 nan 8.370 nan 0.000 0.448 553 T N 0.915 115.498 114.554 0.048 0.000 2.588 553 T HA -0.202 4.146 4.350 -0.003 0.000 0.261 553 T C 2.231 176.935 174.700 0.008 0.000 1.069 553 T CA 2.464 64.574 62.100 0.015 0.000 1.172 553 T CB -0.809 68.060 68.868 0.000 0.000 0.863 553 T HN 0.325 nan 8.240 nan 0.000 0.408 554 S N 2.481 118.189 115.700 0.013 0.000 2.393 554 S HA -0.308 4.160 4.470 -0.003 0.000 0.234 554 S C 1.748 176.367 174.600 0.033 0.000 1.064 554 S CA 1.838 60.047 58.200 0.015 0.000 1.088 554 S CB -1.351 61.852 63.200 0.005 0.000 0.939 554 S HN 0.449 nan 8.310 nan 0.000 0.448 555 F N 3.564 123.467 119.950 -0.079 0.000 2.000 555 F HA -0.150 4.376 4.527 -0.003 0.000 0.296 555 F C 2.283 177.989 175.800 -0.157 0.000 1.159 555 F CA 1.913 59.852 58.000 -0.102 0.000 1.183 555 F CB -1.193 37.740 39.000 -0.112 0.000 0.959 555 F HN 0.110 nan 8.300 nan 0.000 0.490 556 V N 1.522 121.031 119.914 -0.676 0.000 2.252 556 V HA -0.413 3.706 4.120 -0.003 0.000 0.255 556 V C 2.537 178.325 176.094 -0.511 0.000 1.071 556 V CA 2.445 64.277 62.300 -0.780 0.000 1.050 556 V CB -1.298 30.330 31.823 -0.325 0.000 0.654 556 V HN 0.473 nan 8.190 nan 0.000 0.448 557 E N 0.636 120.670 120.200 -0.278 0.000 2.070 557 E HA -0.289 4.059 4.350 -0.003 0.000 0.197 557 E C 2.104 178.573 176.600 -0.218 0.000 1.004 557 E CA 1.846 58.136 56.400 -0.183 0.000 0.805 557 E CB -0.507 29.135 29.700 -0.097 0.000 0.744 557 E HN 0.686 nan 8.360 nan 0.000 0.451 558 K N 0.503 120.766 120.400 -0.230 0.000 2.057 558 K HA -0.122 4.197 4.320 -0.003 0.000 0.207 558 K C 2.330 178.735 176.600 -0.325 0.000 1.049 558 K CA 0.642 56.810 56.287 -0.199 0.000 0.931 558 K CB -0.183 32.250 32.500 -0.111 0.000 0.714 558 K HN 0.003 nan 8.250 nan 0.000 0.440 559 L N 1.737 122.620 121.223 -0.567 0.000 2.021 559 L HA -0.255 4.083 4.340 -0.003 0.000 0.215 559 L C 2.025 178.534 176.870 -0.601 0.000 1.074 559 L CA 1.597 56.014 54.840 -0.706 0.000 0.760 559 L CB -0.371 41.007 42.059 -1.135 0.000 0.889 559 L HN 0.246 nan 8.230 nan 0.000 0.433 560 I N -0.711 119.565 120.570 -0.489 0.000 2.286 560 I HA -0.297 3.872 4.170 -0.003 0.000 0.248 560 I C 2.413 178.355 176.117 -0.292 0.000 1.115 560 I CA 1.558 62.624 61.300 -0.391 0.000 1.392 560 I CB -1.949 35.941 38.000 -0.182 0.000 1.065 560 I HN 0.581 nan 8.210 nan 0.000 0.418 561 Q N 1.920 121.580 119.800 -0.234 0.000 1.956 561 Q HA -0.252 4.087 4.340 -0.003 0.000 0.208 561 Q C 1.920 177.827 176.000 -0.156 0.000 0.998 561 Q CA 1.939 57.648 55.803 -0.157 0.000 0.855 561 Q CB -0.124 28.540 28.738 -0.124 0.000 0.928 561 Q HN 0.449 nan 8.270 nan 0.000 0.418 562 E N 0.408 120.503 120.200 -0.176 0.000 1.993 562 E HA -0.168 4.181 4.350 -0.003 0.000 0.198 562 E C 2.093 178.603 176.600 -0.149 0.000 0.999 562 E CA 1.167 57.485 56.400 -0.136 0.000 0.850 562 E CB -0.593 29.036 29.700 -0.118 0.000 0.796 562 E HN 0.349 nan 8.360 nan 0.000 0.482 563 Q N -0.384 119.282 119.800 -0.223 0.000 1.895 563 Q HA -0.130 4.208 4.340 -0.003 0.000 0.217 563 Q C 1.901 177.776 176.000 -0.209 0.000 1.003 563 Q CA 1.740 57.425 55.803 -0.197 0.000 0.871 563 Q CB -1.248 27.243 28.738 -0.412 0.000 0.941 563 Q HN 0.548 nan 8.270 nan 0.000 0.421 564 G N 0.852 109.376 108.800 -0.461 0.000 4.637 564 G HA2 -0.507 3.451 3.960 -0.003 0.000 0.359 564 G HA3 -0.507 3.451 3.960 -0.003 0.000 0.359 564 G C 0.792 175.727 174.900 0.058 0.000 1.577 564 G CA 1.296 46.269 45.100 -0.211 0.000 1.463 564 G HN 0.622 nan 8.290 nan 0.000 0.849 565 N N 0.131 118.870 118.700 0.064 0.000 2.295 565 N HA 0.124 4.862 4.740 -0.003 0.000 0.221 565 N C 0.631 176.245 175.510 0.174 0.000 1.129 565 N CA 0.306 53.428 53.050 0.121 0.000 0.836 565 N CB -0.067 38.456 38.487 0.060 0.000 1.040 565 N HN 0.667 nan 8.380 nan 0.000 0.494 566 H N 0.958 120.097 119.070 0.116 0.000 3.004 566 H HA 0.090 4.644 4.556 -0.003 0.000 0.316 566 H C 1.166 176.595 175.328 0.169 0.000 1.014 566 H CA 0.602 56.732 56.048 0.138 0.000 1.454 566 H CB 1.280 31.141 29.762 0.164 0.000 1.472 566 H HN 0.402 nan 8.280 nan 0.000 0.571 567 A N 5.872 128.931 122.820 0.399 0.000 2.093 567 A HA -0.183 4.136 4.320 -0.003 0.000 0.222 567 A C 1.976 179.768 177.584 0.346 0.000 1.162 567 A CA 1.513 53.734 52.037 0.307 0.000 0.655 567 A CB -0.063 19.054 19.000 0.195 0.000 0.805 567 A HN 0.577 nan 8.150 nan 0.000 0.461 568 K N -2.078 118.627 120.400 0.508 0.000 2.373 568 K HA 0.307 4.626 4.320 -0.003 0.000 0.202 568 K C -0.566 176.067 176.600 0.055 0.000 1.025 568 K CA -0.225 56.146 56.287 0.140 0.000 1.115 568 K CB -0.047 32.460 32.500 0.012 0.000 0.858 568 K HN 0.483 nan 8.250 nan 0.000 0.525 569 F N 0.951 120.917 119.950 0.027 0.000 2.523 569 F HA 0.414 4.939 4.527 -0.003 0.000 0.329 569 F C -0.516 175.330 175.800 0.078 0.000 1.061 569 F CA -0.577 57.451 58.000 0.047 0.000 0.967 569 F CB 1.428 40.471 39.000 0.072 0.000 1.218 569 F HN -0.179 nan 8.300 nan 0.000 0.480 570 Q N 4.114 123.373 119.800 -0.902 0.000 2.438 570 Q HA 0.226 4.564 4.340 -0.003 0.000 0.272 570 Q C -1.840 173.784 176.000 -0.627 0.000 0.994 570 Q CA -0.930 54.612 55.803 -0.434 0.000 0.887 570 Q CB 2.294 30.890 28.738 -0.236 0.000 1.432 570 Q HN 0.839 nan 8.270 nan 0.000 0.392 571 K N 0.782 121.121 120.400 -0.100 0.000 2.118 571 K HA 0.471 4.789 4.320 -0.003 0.000 0.264 571 K C 0.381 176.970 176.600 -0.018 0.000 1.000 571 K CA -0.313 56.002 56.287 0.046 0.000 0.929 571 K CB 1.337 33.933 32.500 0.161 0.000 1.021 571 K HN 0.619 nan 8.250 nan 0.000 0.463 572 S N 1.633 117.344 115.700 0.019 0.000 2.695 572 S HA -0.007 4.462 4.470 -0.003 0.000 0.250 572 S C 0.052 174.651 174.600 -0.001 0.000 1.355 572 S CA -0.141 58.057 58.200 -0.002 0.000 0.965 572 S CB 0.063 63.279 63.200 0.027 0.000 0.987 572 S HN 0.607 nan 8.310 nan 0.000 0.576 573 K N 1.084 121.481 120.400 -0.005 0.000 2.758 573 K HA 0.290 4.609 4.320 -0.003 0.000 0.250 573 K C -0.132 176.472 176.600 0.006 0.000 1.268 573 K CA 0.132 56.416 56.287 -0.003 0.000 1.228 573 K CB -0.928 31.566 32.500 -0.010 0.000 1.715 573 K HN 0.589 nan 8.250 nan 0.000 0.334 574 Q N 0.580 120.388 119.800 0.013 0.000 2.416 574 Q HA -0.221 4.118 4.340 -0.003 0.000 0.319 574 Q C -0.671 175.338 176.000 0.015 0.000 1.318 574 Q CA 0.363 56.175 55.803 0.015 0.000 0.915 574 Q CB -0.830 27.915 28.738 0.012 0.000 1.184 574 Q HN 0.413 nan 8.270 nan 0.000 0.444 575 L N 0.249 121.483 121.223 0.018 0.000 3.186 575 L HA 0.140 4.478 4.340 -0.003 0.000 0.292 575 L C 0.591 177.475 176.870 0.025 0.000 1.303 575 L CA -0.227 54.624 54.840 0.018 0.000 0.940 575 L CB 0.528 42.596 42.059 0.015 0.000 1.358 575 L HN 0.061 nan 8.230 nan 0.000 0.581 576 K N -1.743 118.672 120.400 0.024 0.000 2.574 576 K HA -0.094 4.225 4.320 -0.003 0.000 0.193 576 K C 1.171 177.781 176.600 0.017 0.000 1.035 576 K CA 1.072 57.373 56.287 0.023 0.000 0.982 576 K CB -0.685 31.824 32.500 0.015 0.000 0.795 576 K HN 0.450 nan 8.250 nan 0.000 0.491 577 D N 1.275 121.685 120.400 0.017 0.000 2.117 577 D HA -0.165 4.474 4.640 -0.003 0.000 0.197 577 D C 1.518 177.830 176.300 0.020 0.000 0.987 577 D CA 1.054 55.063 54.000 0.016 0.000 0.829 577 D CB -0.051 40.758 40.800 0.015 0.000 0.961 577 D HN 0.086 nan 8.370 nan 0.000 0.460 578 K N -0.434 119.980 120.400 0.024 0.000 2.314 578 K HA 0.039 4.358 4.320 -0.003 0.000 0.198 578 K C -0.309 176.309 176.600 0.029 0.000 1.045 578 K CA 0.926 57.231 56.287 0.029 0.000 0.988 578 K CB 0.063 32.581 32.500 0.031 0.000 0.783 578 K HN 0.300 nan 8.250 nan 0.000 0.484 579 T N 2.182 116.754 114.554 0.030 0.000 2.183 579 T HA -0.173 4.176 4.350 -0.003 0.000 0.552 579 T C -0.578 174.167 174.700 0.074 0.000 0.866 579 T CA 0.566 62.688 62.100 0.037 0.000 2.936 579 T CB -1.622 67.254 68.868 0.015 0.000 1.770 579 T HN 0.481 nan 8.240 nan 0.000 0.456 580 E N 1.860 122.127 120.200 0.110 0.000 2.336 580 E HA 0.833 5.182 4.350 -0.003 0.000 0.267 580 E C -0.302 176.468 176.600 0.283 0.000 0.906 580 E CA -1.446 55.052 56.400 0.162 0.000 0.781 580 E CB 1.812 31.540 29.700 0.045 0.000 1.261 580 E HN 0.483 nan 8.360 nan 0.000 0.436 581 F N -1.391 118.566 119.950 0.011 0.000 2.650 581 F HA 0.809 5.334 4.527 -0.003 0.000 0.320 581 F C -1.056 174.691 175.800 -0.089 0.000 1.091 581 F CA -1.639 56.344 58.000 -0.027 0.000 0.962 581 F CB 0.863 39.967 39.000 0.172 0.000 1.363 581 F HN 0.503 nan 8.300 nan 0.000 0.482 582 C N 1.736 120.843 119.300 -0.322 0.000 2.614 582 C HA 0.895 5.353 4.460 -0.003 0.000 0.320 582 C C -0.463 174.294 174.990 -0.390 0.000 1.200 582 C CA -0.878 57.939 59.018 -0.336 0.000 1.700 582 C CB 1.423 28.987 27.740 -0.293 0.000 2.275 582 C HN 0.749 nan 8.230 nan 0.000 0.492 583 I N 0.756 121.195 120.570 -0.218 0.000 2.692 583 I HA 0.365 4.533 4.170 -0.003 0.000 0.293 583 I C -0.957 175.033 176.117 -0.213 0.000 1.200 583 I CA -0.620 60.585 61.300 -0.158 0.000 1.036 583 I CB 1.325 39.311 38.000 -0.024 0.000 1.258 583 I HN 0.400 nan 8.210 nan 0.000 0.421 584 L N 5.600 126.776 121.223 -0.078 0.000 2.404 584 L HA 0.290 4.628 4.340 -0.003 0.000 0.277 584 L C 0.569 177.529 176.870 0.150 0.000 1.184 584 L CA -0.342 54.501 54.840 0.005 0.000 1.013 584 L CB -0.931 41.157 42.059 0.049 0.000 1.318 584 L HN 0.578 nan 8.230 nan 0.000 0.435 585 H N 1.953 121.177 119.070 0.256 0.000 2.172 585 H HA -0.041 4.513 4.556 -0.003 0.000 0.346 585 H C 0.800 176.317 175.328 0.315 0.000 1.901 585 H CA 0.250 56.529 56.048 0.385 0.000 1.403 585 H CB 0.353 30.510 29.762 0.658 0.000 1.654 585 H HN 0.515 nan 8.280 nan 0.000 0.548 586 Y N -1.742 118.688 120.300 0.217 0.000 2.397 586 Y HA 0.357 4.906 4.550 -0.003 0.000 0.292 586 Y C 1.934 177.764 175.900 -0.117 0.000 1.115 586 Y CA 0.409 58.532 58.100 0.039 0.000 1.208 586 Y CB -0.909 37.561 38.460 0.015 0.000 1.046 586 Y HN 0.386 nan 8.280 nan 0.000 0.552 587 A N 0.657 122.821 122.820 -1.093 0.000 2.238 587 A HA 0.564 4.883 4.320 -0.003 0.000 0.208 587 A C 1.323 178.499 177.584 -0.681 0.000 1.177 587 A CA 0.769 51.961 52.037 -1.407 0.000 0.804 587 A CB -1.192 16.166 19.000 -2.736 0.000 0.823 587 A HN 1.000 nan 8.150 nan 0.000 0.482 588 G N -0.949 107.723 108.800 -0.213 0.000 2.371 588 G HA2 0.073 4.031 3.960 -0.003 0.000 0.663 588 G HA3 0.073 4.031 3.960 -0.003 0.000 0.663 588 G C -0.611 174.356 174.900 0.111 0.000 1.311 588 G CA -0.423 44.659 45.100 -0.029 0.000 0.985 588 G HN 0.321 nan 8.290 nan 0.000 0.566 589 K N -0.508 119.905 120.400 0.022 0.000 2.202 589 K HA 0.630 4.948 4.320 -0.003 0.000 0.264 589 K C -0.424 176.134 176.600 -0.069 0.000 1.010 589 K CA -0.247 56.016 56.287 -0.040 0.000 0.940 589 K CB 1.077 33.536 32.500 -0.068 0.000 0.983 589 K HN 0.733 nan 8.250 nan 0.000 0.475 590 V N 1.962 121.764 119.914 -0.187 0.000 2.851 590 V HA 0.200 4.318 4.120 -0.003 0.000 0.307 590 V C -0.864 174.984 176.094 -0.410 0.000 1.129 590 V CA -1.006 61.093 62.300 -0.335 0.000 0.932 590 V CB 2.183 33.688 31.823 -0.531 0.000 1.024 590 V HN 0.851 nan 8.190 nan 0.000 0.426 591 T N 3.452 117.778 114.554 -0.381 0.000 2.832 591 T HA 0.575 4.923 4.350 -0.003 0.000 0.313 591 T C -0.636 173.864 174.700 -0.334 0.000 1.035 591 T CA -0.219 61.704 62.100 -0.295 0.000 0.950 591 T CB -0.165 68.603 68.868 -0.167 0.000 0.984 591 T HN 0.393 nan 8.240 nan 0.000 0.486 592 Y N 2.163 122.248 120.300 -0.358 0.000 2.301 592 Y HA 0.257 4.805 4.550 -0.003 0.000 0.325 592 Y C 1.207 176.963 175.900 -0.240 0.000 1.203 592 Y CA -0.770 57.153 58.100 -0.294 0.000 1.255 592 Y CB 0.778 38.943 38.460 -0.492 0.000 1.232 592 Y HN 0.548 nan 8.280 nan 0.000 0.501 593 N N 1.808 120.590 118.700 0.138 0.000 2.699 593 N HA 0.272 5.011 4.740 -0.003 0.000 0.232 593 N C 0.299 175.742 175.510 -0.112 0.000 1.027 593 N CA -0.085 53.003 53.050 0.062 0.000 0.920 593 N CB 0.747 39.303 38.487 0.115 0.000 1.148 593 N HN 0.908 nan 8.380 nan 0.000 0.509 594 A N 2.454 125.046 122.820 -0.380 0.000 2.194 594 A HA -0.118 4.200 4.320 -0.003 0.000 0.220 594 A C 1.222 178.413 177.584 -0.655 0.000 1.162 594 A CA 0.655 52.038 52.037 -1.090 0.000 0.674 594 A CB -0.378 18.438 19.000 -0.307 0.000 0.789 594 A HN 0.664 nan 8.150 nan 0.000 0.470 595 S N -1.124 114.472 115.700 -0.174 0.000 2.554 595 S HA 0.241 4.710 4.470 -0.003 0.000 0.290 595 S C 1.211 175.926 174.600 0.192 0.000 1.309 595 S CA 0.720 58.938 58.200 0.030 0.000 1.047 595 S CB 0.094 63.341 63.200 0.078 0.000 0.828 595 S HN 2.105 nan 8.310 nan 0.000 0.509 596 A N 3.057 125.976 122.820 0.164 0.000 2.869 596 A HA -0.189 4.129 4.320 -0.003 0.000 0.272 596 A C 1.061 178.794 177.584 0.249 0.000 1.332 596 A CA 1.795 53.952 52.037 0.200 0.000 0.939 596 A CB -2.559 16.573 19.000 0.219 0.000 1.018 596 A HN 1.000 nan 8.150 nan 0.000 0.696 597 W N -0.528 120.703 121.300 -0.115 0.000 2.381 597 W HA 0.045 4.704 4.660 -0.003 0.000 0.301 597 W C 2.188 178.456 176.519 -0.419 0.000 1.205 597 W CA 1.517 58.665 57.345 -0.328 0.000 1.285 597 W CB -0.767 28.421 29.460 -0.453 0.000 1.133 597 W HN 0.474 nan 8.180 nan 0.000 0.521 598 L N -0.341 120.818 121.223 -0.106 0.000 2.083 598 L HA -0.224 4.114 4.340 -0.003 0.000 0.209 598 L C 2.283 179.082 176.870 -0.119 0.000 1.083 598 L CA 1.823 56.551 54.840 -0.186 0.000 0.752 598 L CB -1.460 40.514 42.059 -0.142 0.000 0.899 598 L HN -0.017 nan 8.230 nan 0.000 0.433 599 T N -1.088 113.457 114.554 -0.015 0.000 2.643 599 T HA -0.208 4.141 4.350 -0.003 0.000 0.264 599 T C 1.895 176.636 174.700 0.070 0.000 1.045 599 T CA 1.124 63.275 62.100 0.085 0.000 1.155 599 T CB -0.209 68.798 68.868 0.232 0.000 0.863 599 T HN 0.191 nan 8.240 nan 0.000 0.420 600 K N 1.095 121.514 120.400 0.030 0.000 2.032 600 K HA -0.075 4.243 4.320 -0.003 0.000 0.209 600 K C 2.458 179.029 176.600 -0.048 0.000 1.048 600 K CA 1.171 57.463 56.287 0.009 0.000 0.927 600 K CB -0.235 32.269 32.500 0.006 0.000 0.712 600 K HN 0.133 nan 8.250 nan 0.000 0.441 601 N N 0.384 118.961 118.700 -0.205 0.000 2.430 601 N HA -0.163 4.576 4.740 -0.003 0.000 0.186 601 N C 1.409 176.816 175.510 -0.172 0.000 1.032 601 N CA 1.140 54.043 53.050 -0.245 0.000 0.893 601 N CB 0.132 38.339 38.487 -0.467 0.000 0.957 601 N HN 0.164 nan 8.380 nan 0.000 0.442 602 M N -0.245 119.287 119.600 -0.113 0.000 2.657 602 M HA 0.086 4.565 4.480 -0.003 0.000 0.262 602 M C -0.661 175.664 176.300 0.042 0.000 1.213 602 M CA 0.381 55.642 55.300 -0.065 0.000 1.182 602 M CB 0.396 32.972 32.600 -0.040 0.000 1.303 602 M HN -0.096 nan 8.290 nan 0.000 0.501 603 D N 1.427 121.867 120.400 0.067 0.000 3.082 603 D HA -0.111 4.528 4.640 -0.003 0.000 0.234 603 D C -2.466 173.915 176.300 0.134 0.000 1.159 603 D CA 0.329 54.387 54.000 0.097 0.000 0.875 603 D CB -0.154 40.692 40.800 0.077 0.000 0.946 603 D HN 0.234 nan 8.370 nan 0.000 0.411 604 P HA 0.767 nan 4.420 nan 0.000 0.285 604 P C -1.104 176.321 177.300 0.208 0.000 1.285 604 P CA -0.885 62.332 63.100 0.195 0.000 0.854 604 P CB 1.532 33.358 31.700 0.209 0.000 1.180 605 L N -0.124 121.202 121.223 0.173 0.000 2.940 605 L HA 0.287 4.626 4.340 -0.003 0.000 0.247 605 L C -1.070 175.857 176.870 0.094 0.000 0.970 605 L CA -0.498 54.432 54.840 0.151 0.000 1.003 605 L CB 1.350 43.492 42.059 0.138 0.000 1.552 605 L HN 0.388 nan 8.230 nan 0.000 0.432 606 N N 3.025 121.762 118.700 0.062 0.000 2.360 606 N HA -0.071 4.667 4.740 -0.003 0.000 0.292 606 N C 0.235 175.730 175.510 -0.026 0.000 1.330 606 N CA 0.755 53.805 53.050 0.001 0.000 1.009 606 N CB 0.341 38.801 38.487 -0.044 0.000 1.419 606 N HN 0.691 nan 8.380 nan 0.000 0.487 607 D N 2.943 123.337 120.400 -0.009 0.000 2.221 607 D HA -0.195 4.443 4.640 -0.003 0.000 0.204 607 D C 1.058 177.324 176.300 -0.056 0.000 0.982 607 D CA 0.879 54.867 54.000 -0.020 0.000 0.857 607 D CB -0.238 40.563 40.800 0.003 0.000 0.934 607 D HN 0.425 nan 8.370 nan 0.000 0.475 608 N N 0.321 118.984 118.700 -0.063 0.000 2.018 608 N HA -0.170 4.568 4.740 -0.003 0.000 0.196 608 N C 1.816 177.267 175.510 -0.098 0.000 1.043 608 N CA 1.630 54.634 53.050 -0.076 0.000 0.856 608 N CB -0.319 38.115 38.487 -0.088 0.000 1.042 608 N HN 0.113 nan 8.380 nan 0.000 0.423 609 V N -0.212 119.624 119.914 -0.129 0.000 2.591 609 V HA -0.135 3.983 4.120 -0.003 0.000 0.249 609 V C 1.831 177.801 176.094 -0.207 0.000 1.053 609 V CA 1.674 63.893 62.300 -0.135 0.000 1.068 609 V CB -0.724 30.996 31.823 -0.172 0.000 0.689 609 V HN 0.350 nan 8.190 nan 0.000 0.462 610 T N 1.137 115.559 114.554 -0.220 0.000 2.486 610 T HA -0.238 4.110 4.350 -0.003 0.000 0.257 610 T C 1.992 176.518 174.700 -0.290 0.000 1.175 610 T CA 2.750 64.658 62.100 -0.319 0.000 1.207 610 T CB -0.560 68.237 68.868 -0.119 0.000 0.864 610 T HN 0.756 nan 8.240 nan 0.000 0.405 611 S N 1.871 117.488 115.700 -0.138 0.000 2.400 611 S HA -0.113 4.355 4.470 -0.003 0.000 0.232 611 S C 1.984 176.522 174.600 -0.104 0.000 1.025 611 S CA 1.162 59.309 58.200 -0.088 0.000 0.993 611 S CB -0.809 62.363 63.200 -0.046 0.000 0.808 611 S HN 0.384 nan 8.310 nan 0.000 0.478 612 L N 1.238 122.392 121.223 -0.116 0.000 2.051 612 L HA -0.167 4.172 4.340 -0.003 0.000 0.214 612 L C 2.008 178.812 176.870 -0.110 0.000 1.076 612 L CA 1.724 56.513 54.840 -0.085 0.000 0.758 612 L CB -0.410 41.616 42.059 -0.054 0.000 0.890 612 L HN 0.279 nan 8.230 nan 0.000 0.433 613 L N -0.914 120.178 121.223 -0.218 0.000 2.095 613 L HA -0.131 4.208 4.340 -0.003 0.000 0.204 613 L C 2.348 179.133 176.870 -0.141 0.000 1.080 613 L CA 1.343 56.031 54.840 -0.255 0.000 0.759 613 L CB -1.186 40.497 42.059 -0.625 0.000 0.914 613 L HN 0.370 nan 8.230 nan 0.000 0.439 614 N N 0.816 119.442 118.700 -0.123 0.000 2.313 614 N HA -0.287 4.451 4.740 -0.003 0.000 0.196 614 N C 0.864 176.381 175.510 0.011 0.000 0.995 614 N CA 1.688 54.739 53.050 0.002 0.000 0.899 614 N CB 0.144 38.635 38.487 0.006 0.000 0.977 614 N HN 0.566 nan 8.380 nan 0.000 0.451 615 Q N -0.363 119.428 119.800 -0.014 0.000 2.086 615 Q HA 0.160 4.498 4.340 -0.003 0.000 0.220 615 Q C 0.085 176.080 176.000 -0.008 0.000 0.792 615 Q CA -0.307 55.494 55.803 -0.004 0.000 1.062 615 Q CB 1.101 29.835 28.738 -0.007 0.000 1.198 615 Q HN 0.195 nan 8.270 nan 0.000 0.466 616 S N 0.023 115.713 115.700 -0.017 0.000 2.560 616 S HA -0.060 4.409 4.470 -0.003 0.000 0.276 616 S C 1.535 176.135 174.600 0.000 0.000 1.350 616 S CA 0.405 58.596 58.200 -0.016 0.000 1.024 616 S CB 1.214 64.400 63.200 -0.024 0.000 0.864 616 S HN 0.370 nan 8.310 nan 0.000 0.536 617 S N 1.062 116.761 115.700 -0.002 0.000 2.383 617 S HA -0.141 4.328 4.470 -0.003 0.000 0.227 617 S C 0.668 175.280 174.600 0.020 0.000 1.026 617 S CA 1.167 59.370 58.200 0.004 0.000 0.981 617 S CB -0.761 62.435 63.200 -0.007 0.000 0.818 617 S HN 0.860 nan 8.310 nan 0.000 0.472 618 D N 1.882 122.299 120.400 0.029 0.000 2.346 618 D HA 0.120 4.759 4.640 -0.003 0.000 0.267 618 D C 0.988 177.324 176.300 0.059 0.000 1.320 618 D CA 0.115 54.146 54.000 0.052 0.000 0.951 618 D CB 0.618 41.456 40.800 0.065 0.000 1.079 618 D HN 0.330 nan 8.370 nan 0.000 0.509 619 K N 3.299 123.739 120.400 0.066 0.000 2.034 619 K HA -0.231 4.087 4.320 -0.003 0.000 0.214 619 K C 1.765 178.421 176.600 0.092 0.000 1.051 619 K CA 1.045 57.375 56.287 0.071 0.000 0.931 619 K CB -0.233 32.310 32.500 0.071 0.000 0.715 619 K HN 0.423 nan 8.250 nan 0.000 0.446 620 F N 1.634 121.536 119.950 -0.079 0.000 2.065 620 F HA -0.241 4.285 4.527 -0.003 0.000 0.298 620 F C 1.928 177.627 175.800 -0.168 0.000 1.112 620 F CA 1.515 59.407 58.000 -0.180 0.000 1.212 620 F CB -0.649 38.207 39.000 -0.239 0.000 0.975 620 F HN -0.178 nan 8.300 nan 0.000 0.476 621 V N 0.333 120.147 119.914 -0.167 0.000 2.759 621 V HA -0.169 3.949 4.120 -0.003 0.000 0.256 621 V C 2.638 178.755 176.094 0.039 0.000 1.080 621 V CA 1.175 63.399 62.300 -0.128 0.000 1.101 621 V CB -1.946 29.903 31.823 0.044 0.000 0.698 621 V HN 0.464 nan 8.190 nan 0.000 0.477 622 A N 1.529 124.359 122.820 0.016 0.000 1.835 622 A HA -0.222 4.096 4.320 -0.003 0.000 0.215 622 A C 2.019 179.627 177.584 0.040 0.000 1.199 622 A CA 1.958 54.026 52.037 0.051 0.000 0.615 622 A CB -0.785 18.241 19.000 0.042 0.000 0.838 622 A HN 0.564 nan 8.150 nan 0.000 0.444 623 D N 0.057 120.457 120.400 -0.000 0.000 2.178 623 D HA -0.131 4.508 4.640 -0.003 0.000 0.201 623 D C 1.871 178.127 176.300 -0.072 0.000 0.980 623 D CA 0.915 54.920 54.000 0.008 0.000 0.842 623 D CB -0.566 40.278 40.800 0.074 0.000 0.948 623 D HN 0.383 nan 8.370 nan 0.000 0.472 624 L N -0.741 120.319 121.223 -0.272 0.000 1.970 624 L HA -0.167 4.171 4.340 -0.003 0.000 0.212 624 L C 2.191 178.836 176.870 -0.376 0.000 1.071 624 L CA 1.704 56.248 54.840 -0.495 0.000 0.751 624 L CB -0.273 41.291 42.059 -0.824 0.000 0.889 624 L HN 0.081 nan 8.230 nan 0.000 0.432 625 W N -0.572 120.632 121.300 -0.160 0.000 2.737 625 W HA -0.010 4.649 4.660 -0.003 0.000 0.262 625 W C 2.302 178.791 176.519 -0.050 0.000 1.282 625 W CA 0.472 57.763 57.345 -0.090 0.000 1.386 625 W CB -0.139 29.273 29.460 -0.080 0.000 1.099 625 W HN 0.088 nan 8.180 nan 0.000 0.621 626 K N 1.959 122.446 120.400 0.144 0.000 2.370 626 K HA -0.289 4.030 4.320 -0.003 0.000 0.204 626 K C 0.050 176.698 176.600 0.082 0.000 1.038 626 K CA 2.202 58.543 56.287 0.091 0.000 0.936 626 K CB -0.683 31.850 32.500 0.055 0.000 0.737 626 K HN 0.155 nan 8.250 nan 0.000 0.493 627 D N -0.243 120.208 120.400 0.085 0.000 2.438 627 D HA 0.121 4.759 4.640 -0.003 0.000 0.257 627 D C -0.237 176.128 176.300 0.108 0.000 1.148 627 D CA -0.804 53.238 54.000 0.070 0.000 0.902 627 D CB 1.471 42.294 40.800 0.038 0.000 1.062 627 D HN -0.021 nan 8.370 nan 0.000 0.518 628 V N 1.775 121.760 119.914 0.118 0.000 3.276 628 V HA -0.006 4.112 4.120 -0.003 0.000 0.319 628 V C 0.978 177.128 176.094 0.093 0.000 1.427 628 V CA -0.057 62.330 62.300 0.146 0.000 1.102 628 V CB 0.536 32.448 31.823 0.149 0.000 1.020 628 V HN 0.345 nan 8.190 nan 0.000 0.456 629 D N 0.694 121.131 120.400 0.063 0.000 2.309 629 D HA -0.097 4.541 4.640 -0.003 0.000 0.212 629 D C 2.178 178.499 176.300 0.036 0.000 0.968 629 D CA 0.963 54.983 54.000 0.033 0.000 0.882 629 D CB 0.057 40.863 40.800 0.010 0.000 0.918 629 D HN 0.266 nan 8.370 nan 0.000 0.503 630 R N -0.121 120.422 120.500 0.071 0.000 2.312 630 R HA 0.075 4.413 4.340 -0.003 0.000 0.205 630 R C 0.426 176.798 176.300 0.121 0.000 0.904 630 R CA -0.271 55.889 56.100 0.099 0.000 1.052 630 R CB 0.436 30.819 30.300 0.138 0.000 1.014 630 R HN 0.080 nan 8.270 nan 0.000 0.503 631 I N 1.572 122.211 120.570 0.114 0.000 3.279 631 I HA -0.132 4.036 4.170 -0.003 0.000 0.294 631 I C 0.594 176.776 176.117 0.108 0.000 1.263 631 I CA 0.672 62.044 61.300 0.120 0.000 1.389 631 I CB -0.044 38.018 38.000 0.103 0.000 1.329 631 I HN -0.254 nan 8.210 nan 0.000 0.594 632 V N 2.727 122.710 119.914 0.114 0.000 2.417 632 V HA 0.647 4.766 4.120 -0.003 0.000 0.291 632 V C 0.576 176.718 176.094 0.081 0.000 1.024 632 V CA -0.326 62.041 62.300 0.112 0.000 0.861 632 V CB 1.442 33.350 31.823 0.142 0.000 0.985 632 V HN 0.980 nan 8.190 nan 0.000 0.436 633 G N 4.743 113.579 108.800 0.060 0.000 4.142 633 G HA2 0.604 4.563 3.960 -0.003 0.000 0.310 633 G HA3 0.604 4.563 3.960 -0.003 0.000 0.310 633 G C -1.233 173.683 174.900 0.027 0.000 1.384 633 G CA -0.026 45.095 45.100 0.035 0.000 0.838 633 G HN 0.593 nan 8.290 nan 0.000 0.512 657 R N 1.513 121.927 120.500 -0.142 0.000 2.428 657 R HA 0.488 4.827 4.340 -0.003 0.000 0.294 657 R C -0.657 175.629 176.300 -0.024 0.000 1.000 657 R CA 0.220 56.182 56.100 -0.229 0.000 0.960 657 R CB 1.284 31.331 30.300 -0.420 0.000 1.076 657 R HN 0.454 nan 8.270 nan 0.000 0.475 658 T N 2.032 116.539 114.554 -0.080 0.000 2.907 658 T HA 0.093 4.442 4.350 -0.003 0.000 0.298 658 T C 1.346 176.017 174.700 -0.047 0.000 1.017 658 T CA -0.437 61.577 62.100 -0.143 0.000 1.118 658 T CB 0.750 69.457 68.868 -0.268 0.000 0.948 658 T HN 0.325 nan 8.240 nan 0.000 0.531 659 V N 5.170 125.072 119.914 -0.019 0.000 2.219 659 V HA -0.106 4.012 4.120 -0.003 0.000 0.248 659 V C 2.712 178.875 176.094 0.115 0.000 1.053 659 V CA 2.745 65.083 62.300 0.062 0.000 1.009 659 V CB -1.246 30.634 31.823 0.094 0.000 0.636 659 V HN 1.117 nan 8.190 nan 0.000 0.445 660 G N -1.831 107.053 108.800 0.141 0.000 2.517 660 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.222 660 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.222 660 G C 1.496 176.475 174.900 0.132 0.000 1.109 660 G CA 1.323 46.537 45.100 0.189 0.000 0.746 660 G HN 0.582 nan 8.290 nan 0.000 0.576 661 Q N -1.332 118.504 119.800 0.059 0.000 2.392 661 Q HA 0.271 4.609 4.340 -0.003 0.000 0.219 661 Q C 2.178 178.195 176.000 0.027 0.000 0.895 661 Q CA -0.161 55.658 55.803 0.026 0.000 0.929 661 Q CB -0.090 28.642 28.738 -0.011 0.000 1.077 661 Q HN 0.269 nan 8.270 nan 0.000 0.532 662 L N 0.025 121.279 121.223 0.051 0.000 2.027 662 L HA -0.108 4.230 4.340 -0.003 0.000 0.206 662 L C 1.869 178.804 176.870 0.109 0.000 1.074 662 L CA 1.790 56.665 54.840 0.058 0.000 0.745 662 L CB -1.171 40.930 42.059 0.069 0.000 0.898 662 L HN 0.381 nan 8.230 nan 0.000 0.433 663 Y N 0.864 121.181 120.300 0.028 0.000 2.113 663 Y HA -0.227 4.321 4.550 -0.003 0.000 0.269 663 Y C 2.523 178.458 175.900 0.059 0.000 1.098 663 Y CA 1.886 60.015 58.100 0.049 0.000 1.083 663 Y CB -0.799 37.680 38.460 0.032 0.000 0.997 663 Y HN 0.060 nan 8.280 nan 0.000 0.476 664 K N 0.488 120.761 120.400 -0.211 0.000 2.531 664 K HA -0.313 4.005 4.320 -0.003 0.000 0.199 664 K C 1.479 177.970 176.600 -0.182 0.000 1.047 664 K CA 2.011 58.139 56.287 -0.264 0.000 0.930 664 K CB -0.175 32.320 32.500 -0.008 0.000 0.762 664 K HN 0.566 nan 8.250 nan 0.000 0.498 665 E N -0.184 119.941 120.200 -0.127 0.000 2.162 665 E HA -0.091 4.257 4.350 -0.003 0.000 0.193 665 E C 1.928 178.475 176.600 -0.090 0.000 0.953 665 E CA 0.701 57.054 56.400 -0.078 0.000 0.849 665 E CB 0.111 29.789 29.700 -0.037 0.000 0.810 665 E HN 0.459 nan 8.360 nan 0.000 0.470 666 Q N 0.350 120.101 119.800 -0.082 0.000 2.172 666 Q HA -0.099 4.239 4.340 -0.003 0.000 0.200 666 Q C 1.851 177.807 176.000 -0.074 0.000 0.964 666 Q CA 0.960 56.736 55.803 -0.045 0.000 0.855 666 Q CB -0.188 28.567 28.738 0.028 0.000 0.918 666 Q HN 0.298 nan 8.270 nan 0.000 0.444 667 L N 1.530 122.616 121.223 -0.228 0.000 2.622 667 L HA 0.022 4.360 4.340 -0.003 0.000 0.233 667 L C 1.002 177.739 176.870 -0.221 0.000 1.156 667 L CA 1.339 55.997 54.840 -0.303 0.000 0.866 667 L CB 0.042 41.662 42.059 -0.731 0.000 0.980 667 L HN 0.348 nan 8.230 nan 0.000 0.448 668 T N -3.886 110.573 114.554 -0.159 0.000 2.990 668 T HA 0.039 4.388 4.350 -0.003 0.000 0.250 668 T C 1.740 176.382 174.700 -0.096 0.000 1.041 668 T CA 0.077 62.107 62.100 -0.115 0.000 1.010 668 T CB 0.227 69.044 68.868 -0.085 0.000 1.003 668 T HN 0.165 nan 8.240 nan 0.000 0.499 669 K N 0.872 121.216 120.400 -0.093 0.000 1.991 669 K HA 0.059 4.378 4.320 -0.003 0.000 0.207 669 K C 2.165 178.695 176.600 -0.117 0.000 1.045 669 K CA 0.929 57.163 56.287 -0.088 0.000 0.937 669 K CB -0.316 32.137 32.500 -0.079 0.000 0.720 669 K HN 0.170 nan 8.250 nan 0.000 0.438 670 L N 0.894 122.039 121.223 -0.129 0.000 1.971 670 L HA -0.197 4.141 4.340 -0.003 0.000 0.215 670 L C 2.168 178.938 176.870 -0.167 0.000 1.072 670 L CA 1.862 56.580 54.840 -0.203 0.000 0.758 670 L CB -0.588 41.380 42.059 -0.151 0.000 0.889 670 L HN 0.217 nan 8.230 nan 0.000 0.433 671 M N -0.458 119.060 119.600 -0.137 0.000 2.426 671 M HA -0.181 4.298 4.480 -0.003 0.000 0.261 671 M C 1.945 178.199 176.300 -0.077 0.000 1.068 671 M CA 1.912 57.149 55.300 -0.106 0.000 1.066 671 M CB -0.992 31.538 32.600 -0.115 0.000 1.399 671 M HN 0.422 nan 8.290 nan 0.000 0.449 672 T N -1.267 113.241 114.554 -0.078 0.000 2.852 672 T HA -0.073 4.275 4.350 -0.003 0.000 0.256 672 T C 1.774 176.458 174.700 -0.026 0.000 1.038 672 T CA 1.849 63.918 62.100 -0.052 0.000 1.141 672 T CB -0.311 68.525 68.868 -0.053 0.000 0.869 672 T HN 0.618 nan 8.240 nan 0.000 0.439 673 T N 1.951 116.483 114.554 -0.036 0.000 2.821 673 T HA 0.020 4.369 4.350 -0.003 0.000 0.267 673 T C 2.064 176.823 174.700 0.098 0.000 1.046 673 T CA 0.731 62.852 62.100 0.035 0.000 1.139 673 T CB -0.655 68.217 68.868 0.006 0.000 0.871 673 T HN 0.257 nan 8.240 nan 0.000 0.454 674 L N -0.003 121.252 121.223 0.053 0.000 2.043 674 L HA -0.056 4.283 4.340 -0.003 0.000 0.212 674 L C 3.133 180.031 176.870 0.046 0.000 1.075 674 L CA 1.710 56.598 54.840 0.080 0.000 0.752 674 L CB -0.542 41.543 42.059 0.045 0.000 0.891 674 L HN 0.256 nan 8.230 nan 0.000 0.432 675 R N -0.307 120.205 120.500 0.020 0.000 2.316 675 R HA -0.056 4.283 4.340 -0.003 0.000 0.202 675 R C 1.201 177.513 176.300 0.020 0.000 1.029 675 R CA 0.424 56.530 56.100 0.010 0.000 1.018 675 R CB -0.061 30.230 30.300 -0.015 0.000 0.888 675 R HN 0.254 nan 8.270 nan 0.000 0.471 676 N N -0.449 118.278 118.700 0.044 0.000 2.187 676 N HA 0.003 4.741 4.740 -0.003 0.000 0.212 676 N C -0.398 175.148 175.510 0.061 0.000 1.152 676 N CA 0.267 53.350 53.050 0.054 0.000 0.872 676 N CB 0.895 39.427 38.487 0.075 0.000 1.025 676 N HN 0.201 nan 8.380 nan 0.000 0.514 677 T N -3.070 111.510 114.554 0.043 0.000 2.807 677 T HA 0.378 4.726 4.350 -0.003 0.000 0.277 677 T C -0.421 174.245 174.700 -0.056 0.000 1.006 677 T CA -0.902 61.184 62.100 -0.024 0.000 1.006 677 T CB 1.712 70.567 68.868 -0.022 0.000 1.274 677 T HN -0.021 nan 8.240 nan 0.000 0.569 678 N N 1.981 120.619 118.700 -0.103 0.000 2.444 678 N HA 0.377 5.115 4.740 -0.003 0.000 0.262 678 N C -2.692 172.741 175.510 -0.128 0.000 0.974 678 N CA -2.210 50.781 53.050 -0.097 0.000 0.933 678 N CB 1.542 39.970 38.487 -0.098 0.000 1.137 678 N HN 0.406 nan 8.380 nan 0.000 0.498 679 P HA 0.133 nan 4.420 nan 0.000 0.279 679 P C -1.508 175.616 177.300 -0.294 0.000 1.239 679 P CA -0.248 62.667 63.100 -0.308 0.000 0.789 679 P CB 0.910 32.372 31.700 -0.397 0.000 0.933 680 N N 2.898 121.382 118.700 -0.360 0.000 2.576 680 N HA 0.237 4.976 4.740 -0.003 0.000 0.269 680 N C -0.976 174.400 175.510 -0.222 0.000 1.058 680 N CA -0.318 52.622 53.050 -0.183 0.000 0.860 680 N CB 0.783 39.202 38.487 -0.114 0.000 1.249 680 N HN 0.279 nan 8.380 nan 0.000 0.525 681 F N 0.971 120.975 119.950 0.090 0.000 2.420 681 F HA 0.215 4.741 4.527 -0.003 0.000 0.352 681 F C 1.005 176.855 175.800 0.084 0.000 1.108 681 F CA -0.538 57.514 58.000 0.087 0.000 1.162 681 F CB 1.130 40.203 39.000 0.122 0.000 1.118 681 F HN 0.108 nan 8.300 nan 0.000 0.510 682 V N 5.165 125.204 119.914 0.209 0.000 2.326 682 V HA 0.197 4.315 4.120 -0.003 0.000 0.254 682 V C 0.078 176.214 176.094 0.071 0.000 1.022 682 V CA -0.938 61.437 62.300 0.124 0.000 1.074 682 V CB -0.081 31.780 31.823 0.064 0.000 1.305 682 V HN 0.584 nan 8.190 nan 0.000 0.506 683 R N 0.762 121.308 120.500 0.077 0.000 2.998 683 R HA 0.023 4.361 4.340 -0.003 0.000 0.274 683 R C 0.181 176.436 176.300 -0.075 0.000 1.393 683 R CA -0.074 56.012 56.100 -0.024 0.000 0.983 683 R CB -1.068 29.203 30.300 -0.048 0.000 1.111 683 R HN 0.510 nan 8.270 nan 0.000 0.514 684 C N 2.964 122.208 119.300 -0.094 0.000 2.665 684 C HA 0.194 4.652 4.460 -0.003 0.000 0.416 684 C C 1.162 176.053 174.990 -0.166 0.000 1.305 684 C CA -0.058 58.870 59.018 -0.151 0.000 1.903 684 C CB -0.300 27.358 27.740 -0.138 0.000 2.704 684 C HN 0.654 nan 8.230 nan 0.000 0.629 685 I N 3.589 124.027 120.570 -0.219 0.000 2.512 685 I HA 0.268 4.437 4.170 -0.003 0.000 0.287 685 I C -0.240 175.705 176.117 -0.286 0.000 1.069 685 I CA -0.356 60.804 61.300 -0.233 0.000 1.056 685 I CB 1.173 39.029 38.000 -0.241 0.000 1.229 685 I HN 0.520 nan 8.210 nan 0.000 0.429 686 I N 8.910 129.327 120.570 -0.256 0.000 2.471 686 I HA 0.121 4.290 4.170 -0.003 0.000 0.286 686 I C -1.124 174.803 176.117 -0.317 0.000 1.079 686 I CA -1.295 59.836 61.300 -0.282 0.000 1.398 686 I CB 1.862 39.730 38.000 -0.220 0.000 1.403 686 I HN 0.375 nan 8.210 nan 0.000 0.530 687 P HA -0.024 nan 4.420 nan 0.000 0.220 687 P C -0.644 176.543 177.300 -0.189 0.000 1.154 687 P CA 0.848 63.758 63.100 -0.318 0.000 0.830 687 P CB 0.414 31.896 31.700 -0.362 0.000 0.803 688 N N -2.927 115.697 118.700 -0.127 0.000 3.127 688 N HA 0.118 4.856 4.740 -0.003 0.000 0.239 688 N C -0.379 175.088 175.510 -0.071 0.000 1.407 688 N CA -0.761 52.231 53.050 -0.097 0.000 0.891 688 N CB -0.216 38.300 38.487 0.048 0.000 1.447 688 N HN -0.247 nan 8.380 nan 0.000 0.507 689 H N -1.165 117.948 119.070 0.072 0.000 2.575 689 H HA 0.260 4.815 4.556 -0.003 0.000 0.267 689 H C 0.295 175.651 175.328 0.045 0.000 0.966 689 H CA -0.071 56.014 56.048 0.061 0.000 1.165 689 H CB 0.651 30.431 29.762 0.031 0.000 1.433 689 H HN 0.586 nan 8.280 nan 0.000 0.544 690 E N 1.213 121.493 120.200 0.135 0.000 2.502 690 E HA -0.086 4.263 4.350 -0.003 0.000 0.194 690 E C 0.283 176.873 176.600 -0.017 0.000 1.062 690 E CA 0.064 56.502 56.400 0.064 0.000 0.867 690 E CB 0.212 29.947 29.700 0.058 0.000 0.888 690 E HN 0.292 nan 8.360 nan 0.000 0.510 691 K N 0.947 121.315 120.400 -0.053 0.000 3.088 691 K HA -0.195 4.124 4.320 -0.003 0.000 0.273 691 K C -0.613 175.706 176.600 -0.468 0.000 1.111 691 K CA 0.486 56.528 56.287 -0.407 0.000 0.803 691 K CB -0.509 31.815 32.500 -0.295 0.000 1.226 691 K HN 0.019 nan 8.250 nan 0.000 0.485 692 R N 0.024 120.431 120.500 -0.155 0.000 2.428 692 R HA 0.483 4.821 4.340 -0.003 0.000 0.294 692 R C -0.053 176.317 176.300 0.116 0.000 1.000 692 R CA 0.195 56.275 56.100 -0.033 0.000 0.960 692 R CB 1.623 31.952 30.300 0.049 0.000 1.076 692 R HN 0.266 nan 8.270 nan 0.000 0.475 693 A N 0.546 123.436 122.820 0.115 0.000 2.304 693 A HA 0.541 4.859 4.320 -0.003 0.000 0.301 693 A C 1.043 178.746 177.584 0.198 0.000 1.132 693 A CA 0.313 52.487 52.037 0.228 0.000 0.819 693 A CB 0.807 19.905 19.000 0.164 0.000 1.094 693 A HN 0.853 nan 8.150 nan 0.000 0.492 694 G N 0.420 109.355 108.800 0.225 0.000 2.212 694 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.266 694 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.266 694 G C 0.391 175.526 174.900 0.391 0.000 0.978 694 G CA 1.020 46.261 45.100 0.236 0.000 0.632 694 G HN 0.956 nan 8.290 nan 0.000 0.537 695 K N 0.109 120.706 120.400 0.328 0.000 2.211 695 K HA 0.669 4.987 4.320 -0.003 0.000 0.275 695 K C -0.875 175.904 176.600 0.298 0.000 1.024 695 K CA -0.980 55.485 56.287 0.297 0.000 0.887 695 K CB 0.805 33.415 32.500 0.185 0.000 1.084 695 K HN 0.377 nan 8.250 nan 0.000 0.463 696 L N 4.710 126.108 121.223 0.292 0.000 2.471 696 L HA 0.325 4.664 4.340 -0.003 0.000 0.263 696 L C -1.328 175.576 176.870 0.057 0.000 0.985 696 L CA -0.513 54.388 54.840 0.101 0.000 0.868 696 L CB 1.352 43.397 42.059 -0.023 0.000 1.203 696 L HN 0.616 nan 8.230 nan 0.000 0.429 697 D N 3.803 124.203 120.400 0.001 0.000 2.358 697 D HA 0.277 4.916 4.640 -0.003 0.000 0.258 697 D C 1.123 177.398 176.300 -0.040 0.000 1.223 697 D CA 0.775 54.777 54.000 0.003 0.000 0.886 697 D CB 1.909 42.705 40.800 -0.005 0.000 1.120 697 D HN 0.754 nan 8.370 nan 0.000 0.482 698 A N 4.617 127.414 122.820 -0.038 0.000 1.849 698 A HA -0.258 4.061 4.320 -0.003 0.000 0.217 698 A C 1.850 179.335 177.584 -0.165 0.000 1.202 698 A CA 1.813 53.775 52.037 -0.125 0.000 0.629 698 A CB -0.979 17.903 19.000 -0.196 0.000 0.834 698 A HN 0.853 nan 8.150 nan 0.000 0.447 699 H N -1.060 117.993 119.070 -0.029 0.000 2.389 699 H HA 0.004 4.558 4.556 -0.003 0.000 0.299 699 H C 1.987 177.282 175.328 -0.055 0.000 1.081 699 H CA 1.278 57.298 56.048 -0.047 0.000 1.345 699 H CB -0.133 29.598 29.762 -0.051 0.000 1.393 699 H HN 0.426 nan 8.280 nan 0.000 0.520 700 L N 0.067 121.319 121.223 0.049 0.000 2.079 700 L HA -0.171 4.168 4.340 -0.003 0.000 0.210 700 L C 1.877 178.696 176.870 -0.085 0.000 1.081 700 L CA 1.050 55.873 54.840 -0.028 0.000 0.752 700 L CB -0.108 41.900 42.059 -0.085 0.000 0.896 700 L HN 0.152 nan 8.230 nan 0.000 0.433 701 V N -0.659 119.194 119.914 -0.103 0.000 3.129 701 V HA -0.141 3.977 4.120 -0.003 0.000 0.259 701 V C 2.079 178.120 176.094 -0.089 0.000 1.116 701 V CA 0.640 62.859 62.300 -0.135 0.000 1.127 701 V CB 0.460 32.175 31.823 -0.181 0.000 0.742 701 V HN 0.335 nan 8.190 nan 0.000 0.474 702 L N -0.157 121.039 121.223 -0.044 0.000 2.095 702 L HA 0.002 4.340 4.340 -0.003 0.000 0.204 702 L C 2.400 179.274 176.870 0.008 0.000 1.080 702 L CA 1.798 56.641 54.840 0.004 0.000 0.759 702 L CB -0.792 41.294 42.059 0.046 0.000 0.914 702 L HN 0.290 nan 8.230 nan 0.000 0.439 703 E N -0.546 119.651 120.200 -0.005 0.000 2.028 703 E HA -0.260 4.088 4.350 -0.003 0.000 0.191 703 E C 2.071 178.624 176.600 -0.079 0.000 0.988 703 E CA 1.319 57.699 56.400 -0.035 0.000 0.799 703 E CB 0.048 29.716 29.700 -0.052 0.000 0.755 703 E HN 0.544 nan 8.360 nan 0.000 0.447 704 Q N 0.261 119.997 119.800 -0.107 0.000 2.062 704 Q HA -0.161 4.178 4.340 -0.003 0.000 0.209 704 Q C 2.413 178.352 176.000 -0.102 0.000 0.996 704 Q CA 1.855 57.576 55.803 -0.138 0.000 0.859 704 Q CB -0.216 28.432 28.738 -0.150 0.000 0.920 704 Q HN 0.317 nan 8.270 nan 0.000 0.415 705 L N 0.123 121.304 121.223 -0.071 0.000 2.450 705 L HA -0.184 4.155 4.340 -0.003 0.000 0.224 705 L C 2.211 179.078 176.870 -0.006 0.000 1.149 705 L CA 0.851 55.671 54.840 -0.034 0.000 0.816 705 L CB -0.307 41.737 42.059 -0.025 0.000 0.932 705 L HN 0.234 nan 8.230 nan 0.000 0.449 706 R N -0.301 120.187 120.500 -0.019 0.000 2.062 706 R HA -0.057 4.281 4.340 -0.003 0.000 0.218 706 R C 2.425 178.721 176.300 -0.007 0.000 1.161 706 R CA 1.420 57.521 56.100 0.001 0.000 0.994 706 R CB -0.528 29.772 30.300 0.001 0.000 0.888 706 R HN 0.512 nan 8.270 nan 0.000 0.442 707 C N 0.712 119.978 119.300 -0.057 0.000 2.491 707 C HA 0.166 4.624 4.460 -0.003 0.000 0.277 707 C C 1.643 176.635 174.990 0.003 0.000 1.455 707 C CA -0.020 58.962 59.018 -0.060 0.000 1.758 707 C CB -0.912 26.688 27.740 -0.233 0.000 1.745 707 C HN 0.329 nan 8.230 nan 0.000 0.558 708 N N 0.717 119.394 118.700 -0.038 0.000 2.356 708 N HA 0.152 4.890 4.740 -0.003 0.000 0.178 708 N C 1.542 177.000 175.510 -0.087 0.000 1.075 708 N CA 1.205 54.201 53.050 -0.090 0.000 0.889 708 N CB 0.406 38.797 38.487 -0.161 0.000 0.999 708 N HN 0.777 nan 8.380 nan 0.000 0.464 709 G N 0.919 109.749 108.800 0.051 0.000 2.160 709 G HA2 -0.254 3.705 3.960 -0.003 0.000 0.244 709 G HA3 -0.254 3.705 3.960 -0.003 0.000 0.244 709 G C 1.029 176.068 174.900 0.232 0.000 1.022 709 G CA 0.478 45.694 45.100 0.194 0.000 0.741 709 G HN 0.155 nan 8.290 nan 0.000 0.508 710 V N 0.890 120.901 119.914 0.162 0.000 2.214 710 V HA -0.241 3.878 4.120 -0.003 0.000 0.245 710 V C 2.915 179.222 176.094 0.355 0.000 1.047 710 V CA 2.140 64.634 62.300 0.324 0.000 0.998 710 V CB -0.685 31.267 31.823 0.214 0.000 0.633 710 V HN 0.416 nan 8.190 nan 0.000 0.446 711 L N 0.005 121.354 121.223 0.210 0.000 1.976 711 L HA -0.271 4.068 4.340 -0.003 0.000 0.223 711 L C 2.680 179.698 176.870 0.247 0.000 1.081 711 L CA 2.561 57.508 54.840 0.180 0.000 0.784 711 L CB -1.762 40.367 42.059 0.116 0.000 0.896 711 L HN 0.452 nan 8.230 nan 0.000 0.438 712 E N 0.033 120.397 120.200 0.273 0.000 2.070 712 E HA -0.175 4.174 4.350 -0.003 0.000 0.197 712 E C 2.171 178.977 176.600 0.342 0.000 1.004 712 E CA 1.181 57.779 56.400 0.330 0.000 0.805 712 E CB -0.850 28.971 29.700 0.202 0.000 0.744 712 E HN 0.555 nan 8.360 nan 0.000 0.451 713 G N 0.076 109.118 108.800 0.404 0.000 2.516 713 G HA2 -0.224 3.735 3.960 -0.003 0.000 0.221 713 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.221 713 G C 1.462 176.642 174.900 0.467 0.000 1.107 713 G CA 0.900 46.172 45.100 0.288 0.000 0.747 713 G HN 0.230 nan 8.290 nan 0.000 0.567 714 I N -1.476 119.309 120.570 0.357 0.000 3.339 714 I HA 0.144 4.312 4.170 -0.003 0.000 0.285 714 I C 2.739 178.958 176.117 0.169 0.000 1.201 714 I CA -0.214 61.214 61.300 0.213 0.000 1.434 714 I CB 0.005 38.078 38.000 0.121 0.000 1.152 714 I HN -0.049 nan 8.210 nan 0.000 0.443 715 R N 0.669 121.300 120.500 0.218 0.000 2.094 715 R HA -0.224 4.115 4.340 -0.003 0.000 0.239 715 R C 2.315 178.776 176.300 0.268 0.000 1.137 715 R CA 1.842 58.098 56.100 0.261 0.000 0.943 715 R CB -0.562 29.996 30.300 0.429 0.000 0.850 715 R HN 0.225 nan 8.270 nan 0.000 0.433 716 I N 0.743 121.466 120.570 0.255 0.000 2.361 716 I HA -0.269 3.900 4.170 -0.003 0.000 0.251 716 I C 1.953 178.172 176.117 0.170 0.000 1.133 716 I CA 1.200 62.652 61.300 0.252 0.000 1.413 716 I CB -0.275 37.775 38.000 0.083 0.000 1.073 716 I HN 0.204 nan 8.210 nan 0.000 0.424 717 C N 0.764 120.136 119.300 0.120 0.000 2.422 717 C HA -0.113 4.346 4.460 -0.003 0.000 0.279 717 C C 2.777 177.811 174.990 0.073 0.000 1.305 717 C CA 1.234 60.308 59.018 0.094 0.000 1.757 717 C CB -1.580 26.209 27.740 0.081 0.000 1.962 717 C HN 0.616 nan 8.230 nan 0.000 0.499 718 R N 0.365 120.913 120.500 0.081 0.000 2.105 718 R HA 0.023 4.361 4.340 -0.003 0.000 0.214 718 R C 2.043 178.368 176.300 0.041 0.000 1.091 718 R CA 0.833 56.961 56.100 0.047 0.000 1.007 718 R CB -0.552 29.778 30.300 0.050 0.000 0.912 718 R HN 0.331 nan 8.270 nan 0.000 0.450 719 Q N 1.118 120.994 119.800 0.128 0.000 1.967 719 Q HA 0.051 4.389 4.340 -0.003 0.000 0.202 719 Q C 1.370 177.493 176.000 0.205 0.000 0.985 719 Q CA 1.829 57.745 55.803 0.189 0.000 0.839 719 Q CB -0.710 28.230 28.738 0.338 0.000 0.906 719 Q HN 0.460 nan 8.270 nan 0.000 0.423 720 G N -0.467 108.497 108.800 0.273 0.000 2.494 720 G HA2 0.350 4.308 3.960 -0.003 0.000 0.270 720 G HA3 0.350 4.308 3.960 -0.003 0.000 0.270 720 G C -0.904 174.031 174.900 0.058 0.000 1.423 720 G CA -0.500 44.726 45.100 0.209 0.000 1.055 720 G HN 0.131 nan 8.290 nan 0.000 0.536 721 F N -0.272 119.699 119.950 0.036 0.000 2.453 721 F HA 0.386 4.911 4.527 -0.003 0.000 0.358 721 F C -1.849 174.152 175.800 0.335 0.000 1.129 721 F CA -2.806 55.312 58.000 0.197 0.000 1.200 721 F CB 1.865 40.980 39.000 0.191 0.000 1.431 721 F HN 0.140 nan 8.300 nan 0.000 0.503 722 P HA -0.069 nan 4.420 nan 0.000 0.236 722 P C -0.273 177.157 177.300 0.217 0.000 1.172 722 P CA 0.968 64.215 63.100 0.246 0.000 0.759 722 P CB 0.158 31.946 31.700 0.147 0.000 0.843 723 N N 0.715 119.589 118.700 0.290 0.000 2.296 723 N HA 0.299 5.038 4.740 -0.003 0.000 0.294 723 N C -0.322 175.310 175.510 0.203 0.000 1.033 723 N CA -0.508 52.683 53.050 0.236 0.000 0.839 723 N CB 2.118 40.774 38.487 0.281 0.000 1.395 723 N HN 0.057 nan 8.380 nan 0.000 0.479 724 R N 1.616 122.129 120.500 0.021 0.000 2.740 724 R HA 0.699 5.037 4.340 -0.003 0.000 0.273 724 R C -1.448 174.783 176.300 -0.116 0.000 0.998 724 R CA -0.764 55.178 56.100 -0.265 0.000 0.900 724 R CB 1.847 31.661 30.300 -0.810 0.000 1.223 724 R HN 0.515 nan 8.270 nan 0.000 0.466 725 I N 2.366 122.865 120.570 -0.117 0.000 2.722 725 I HA 0.224 4.393 4.170 -0.003 0.000 0.292 725 I C -1.123 174.965 176.117 -0.049 0.000 1.267 725 I CA -1.124 60.190 61.300 0.024 0.000 1.036 725 I CB 2.395 40.575 38.000 0.300 0.000 1.281 725 I HN 0.610 nan 8.210 nan 0.000 0.423 726 V N 7.481 127.351 119.914 -0.073 0.000 2.715 726 V HA 0.074 4.192 4.120 -0.003 0.000 0.299 726 V C 0.846 176.984 176.094 0.072 0.000 1.054 726 V CA 0.344 62.560 62.300 -0.140 0.000 1.077 726 V CB 0.977 32.718 31.823 -0.137 0.000 0.972 726 V HN 0.749 nan 8.190 nan 0.000 0.484 727 F N 3.589 123.534 119.950 -0.009 0.000 2.204 727 F HA -0.228 4.297 4.527 -0.003 0.000 0.301 727 F C 2.124 177.967 175.800 0.073 0.000 1.058 727 F CA 2.194 60.206 58.000 0.020 0.000 1.313 727 F CB -1.079 37.916 39.000 -0.009 0.000 1.051 727 F HN 0.767 nan 8.300 nan 0.000 0.505 728 Q N 0.637 120.567 119.800 0.218 0.000 2.134 728 Q HA -0.100 4.239 4.340 -0.003 0.000 0.195 728 Q C 1.835 177.890 176.000 0.091 0.000 0.958 728 Q CA 1.601 57.485 55.803 0.136 0.000 0.840 728 Q CB -0.496 28.289 28.738 0.078 0.000 0.918 728 Q HN 0.288 nan 8.270 nan 0.000 0.467 729 E N -0.481 119.758 120.200 0.066 0.000 2.204 729 E HA -0.075 4.273 4.350 -0.003 0.000 0.195 729 E C 1.280 177.855 176.600 -0.041 0.000 0.990 729 E CA 0.996 57.391 56.400 -0.007 0.000 0.821 729 E CB -0.209 29.479 29.700 -0.019 0.000 0.750 729 E HN 0.435 nan 8.360 nan 0.000 0.477 730 F N 0.923 120.854 119.950 -0.032 0.000 2.128 730 F HA -0.060 4.465 4.527 -0.003 0.000 0.295 730 F C 2.182 177.960 175.800 -0.036 0.000 1.100 730 F CA 1.293 59.280 58.000 -0.022 0.000 1.260 730 F CB 0.077 39.181 39.000 0.174 0.000 1.009 730 F HN -0.144 nan 8.300 nan 0.000 0.476 731 R N 0.464 121.113 120.500 0.249 0.000 2.339 731 R HA -0.091 4.247 4.340 -0.003 0.000 0.199 731 R C 1.704 177.992 176.300 -0.020 0.000 1.018 731 R CA 1.329 57.512 56.100 0.138 0.000 1.036 731 R CB -0.509 29.885 30.300 0.158 0.000 0.899 731 R HN 0.429 nan 8.270 nan 0.000 0.473 732 Q N 0.204 119.951 119.800 -0.089 0.000 2.159 732 Q HA 0.087 4.425 4.340 -0.003 0.000 0.194 732 Q C 2.021 177.885 176.000 -0.227 0.000 0.968 732 Q CA 1.313 57.041 55.803 -0.125 0.000 0.837 732 Q CB -0.138 28.541 28.738 -0.099 0.000 0.920 732 Q HN 0.320 nan 8.270 nan 0.000 0.485 733 R N -1.044 119.199 120.500 -0.427 0.000 2.062 733 R HA -0.088 4.251 4.340 -0.003 0.000 0.231 733 R C 0.601 176.620 176.300 -0.468 0.000 1.136 733 R CA 1.544 57.291 56.100 -0.588 0.000 0.948 733 R CB -0.086 29.577 30.300 -1.062 0.000 0.845 733 R HN 0.311 nan 8.270 nan 0.000 0.430 734 Y N 0.200 120.312 120.300 -0.312 0.000 2.746 734 Y HA 0.230 4.778 4.550 -0.003 0.000 0.312 734 Y C 1.085 176.859 175.900 -0.209 0.000 1.117 734 Y CA -0.580 57.333 58.100 -0.312 0.000 1.324 734 Y CB -0.270 37.882 38.460 -0.513 0.000 1.173 734 Y HN 0.259 nan 8.280 nan 0.000 0.529 735 E N 1.023 121.196 120.200 -0.045 0.000 2.112 735 E HA -0.118 4.231 4.350 -0.003 0.000 0.190 735 E C 1.952 178.550 176.600 -0.003 0.000 0.979 735 E CA 0.715 57.107 56.400 -0.012 0.000 0.814 735 E CB -0.135 29.550 29.700 -0.024 0.000 0.762 735 E HN 0.574 nan 8.360 nan 0.000 0.460 736 I N 0.784 121.347 120.570 -0.011 0.000 2.623 736 I HA -0.245 3.924 4.170 -0.003 0.000 0.261 736 I C 1.443 177.556 176.117 -0.005 0.000 1.204 736 I CA 0.811 62.105 61.300 -0.011 0.000 1.444 736 I CB 0.107 38.099 38.000 -0.014 0.000 1.094 736 I HN 0.323 nan 8.210 nan 0.000 0.451 737 L N 0.543 121.768 121.223 0.003 0.000 2.162 737 L HA 0.082 4.420 4.340 -0.003 0.000 0.205 737 L C 1.223 178.098 176.870 0.008 0.000 1.086 737 L CA 0.686 55.523 54.840 -0.005 0.000 0.778 737 L CB -0.438 41.609 42.059 -0.020 0.000 0.928 737 L HN 0.229 nan 8.230 nan 0.000 0.446 738 A N -0.547 122.285 122.820 0.020 0.000 2.664 738 A HA 0.620 4.939 4.320 -0.003 0.000 0.338 738 A C 0.864 178.457 177.584 0.015 0.000 1.280 738 A CA -0.032 52.019 52.037 0.025 0.000 0.809 738 A CB 0.738 19.766 19.000 0.046 0.000 1.114 738 A HN 0.194 nan 8.150 nan 0.000 0.479 739 A N 1.587 124.410 122.820 0.005 0.000 2.066 739 A HA -0.039 4.279 4.320 -0.003 0.000 0.218 739 A C 1.114 178.694 177.584 -0.006 0.000 1.157 739 A CA 1.313 53.348 52.037 -0.004 0.000 0.670 739 A CB -0.190 18.805 19.000 -0.009 0.000 0.804 739 A HN 0.714 nan 8.150 nan 0.000 0.453 740 N N -0.899 117.802 118.700 0.001 0.000 2.238 740 N HA 0.279 5.018 4.740 -0.003 0.000 0.235 740 N C 1.083 176.596 175.510 0.005 0.000 1.209 740 N CA 0.722 53.771 53.050 -0.001 0.000 0.879 740 N CB 0.664 39.151 38.487 -0.000 0.000 1.136 740 N HN 0.356 nan 8.380 nan 0.000 0.517 741 A N 0.896 123.723 122.820 0.012 0.000 1.903 741 A HA 0.172 4.490 4.320 -0.003 0.000 0.213 741 A C 0.880 178.471 177.584 0.012 0.000 1.185 741 A CA 0.713 52.762 52.037 0.019 0.000 0.628 741 A CB -0.055 18.967 19.000 0.036 0.000 0.830 741 A HN 0.110 nan 8.150 nan 0.000 0.446 742 I N 1.293 121.867 120.570 0.007 0.000 2.331 742 I HA 0.327 4.496 4.170 -0.003 0.000 0.292 742 I C -2.208 173.898 176.117 -0.018 0.000 0.998 742 I CA -2.146 59.153 61.300 -0.002 0.000 1.267 742 I CB 1.211 39.211 38.000 -0.001 0.000 1.386 742 I HN 0.059 nan 8.210 nan 0.000 0.476 743 P HA 0.059 nan 4.420 nan 0.000 0.271 743 P C 0.731 177.994 177.300 -0.062 0.000 1.233 743 P CA -0.545 62.537 63.100 -0.030 0.000 0.789 743 P CB 0.662 32.350 31.700 -0.019 0.000 0.951 744 K N 0.793 121.152 120.400 -0.070 0.000 2.152 744 K HA -0.081 4.237 4.320 -0.003 0.000 0.206 744 K C 1.067 177.554 176.600 -0.187 0.000 1.048 744 K CA 1.339 57.559 56.287 -0.111 0.000 0.933 744 K CB -0.756 31.693 32.500 -0.085 0.000 0.721 744 K HN 0.689 nan 8.250 nan 0.000 0.447 745 G N 0.229 108.946 108.800 -0.140 0.000 2.651 745 G HA2 0.257 4.216 3.960 -0.003 0.000 0.260 745 G HA3 0.257 4.216 3.960 -0.003 0.000 0.260 745 G C -0.209 174.568 174.900 -0.205 0.000 1.216 745 G CA -0.697 44.306 45.100 -0.161 0.000 0.913 745 G HN 0.057 nan 8.290 nan 0.000 0.535 746 F N -0.935 119.016 119.950 0.003 0.000 2.331 746 F HA 0.639 5.165 4.527 -0.003 0.000 0.293 746 F C 0.806 176.607 175.800 0.002 0.000 1.277 746 F CA 0.170 58.172 58.000 0.003 0.000 1.204 746 F CB 0.681 39.683 39.000 0.004 0.000 1.374 746 F HN 0.347 nan 8.300 nan 0.000 0.520 747 M N 0.314 120.055 119.600 0.235 0.000 2.860 747 M HA 0.110 4.589 4.480 -0.003 0.000 0.270 747 M C -2.063 174.291 176.300 0.090 0.000 0.988 747 M CA -0.801 54.569 55.300 0.116 0.000 0.807 747 M CB 1.294 33.931 32.600 0.063 0.000 1.708 747 M HN 0.596 nan 8.290 nan 0.000 0.558 748 D N 2.037 122.468 120.400 0.051 0.000 2.472 748 D HA 0.232 4.870 4.640 -0.003 0.000 0.248 748 D C 1.293 177.603 176.300 0.017 0.000 1.174 748 D CA 1.693 55.714 54.000 0.036 0.000 0.883 748 D CB 1.136 41.946 40.800 0.016 0.000 1.149 748 D HN 0.646 nan 8.370 nan 0.000 0.488 749 G N 4.989 113.823 108.800 0.056 0.000 2.703 749 G HA2 -0.425 3.533 3.960 -0.003 0.000 0.222 749 G HA3 -0.425 3.533 3.960 -0.003 0.000 0.222 749 G C 1.347 176.187 174.900 -0.099 0.000 1.183 749 G CA 1.317 46.457 45.100 0.067 0.000 0.775 749 G HN 0.631 nan 8.290 nan 0.000 0.615 750 K N -0.253 120.010 120.400 -0.228 0.000 1.968 750 K HA -0.196 4.123 4.320 -0.003 0.000 0.222 750 K C 2.474 178.791 176.600 -0.472 0.000 1.043 750 K CA 1.764 57.554 56.287 -0.828 0.000 0.991 750 K CB -0.674 31.476 32.500 -0.583 0.000 0.744 750 K HN 0.335 nan 8.250 nan 0.000 0.445 751 Q N 0.307 119.953 119.800 -0.258 0.000 2.142 751 Q HA -0.243 4.095 4.340 -0.003 0.000 0.213 751 Q C 1.855 177.783 176.000 -0.119 0.000 1.004 751 Q CA 2.485 58.194 55.803 -0.156 0.000 0.883 751 Q CB -0.403 28.289 28.738 -0.077 0.000 0.939 751 Q HN 0.529 nan 8.270 nan 0.000 0.413 752 A N 0.049 122.820 122.820 -0.083 0.000 2.024 752 A HA -0.201 4.117 4.320 -0.003 0.000 0.220 752 A C 2.434 180.000 177.584 -0.030 0.000 1.164 752 A CA 1.775 53.792 52.037 -0.033 0.000 0.643 752 A CB -1.024 17.979 19.000 0.006 0.000 0.806 752 A HN 0.760 nan 8.150 nan 0.000 0.451 753 C N -2.399 116.850 119.300 -0.085 0.000 2.674 753 C HA 0.328 4.786 4.460 -0.003 0.000 0.276 753 C C 2.112 177.046 174.990 -0.093 0.000 1.300 753 C CA 0.311 59.315 59.018 -0.024 0.000 1.732 753 C CB -1.175 26.569 27.740 0.006 0.000 2.076 753 C HN 0.372 nan 8.230 nan 0.000 0.548 754 I N 1.204 121.659 120.570 -0.192 0.000 2.614 754 I HA -0.027 4.141 4.170 -0.003 0.000 0.258 754 I C 2.274 178.344 176.117 -0.079 0.000 1.189 754 I CA 1.052 62.237 61.300 -0.191 0.000 1.462 754 I CB -0.561 37.325 38.000 -0.190 0.000 1.092 754 I HN 0.247 nan 8.210 nan 0.000 0.442 755 L N 0.021 121.220 121.223 -0.040 0.000 1.976 755 L HA -0.179 4.160 4.340 -0.003 0.000 0.209 755 L C 2.450 179.340 176.870 0.034 0.000 1.071 755 L CA 2.038 56.879 54.840 0.000 0.000 0.746 755 L CB -0.819 41.243 42.059 0.005 0.000 0.890 755 L HN 0.324 nan 8.230 nan 0.000 0.432 756 M N -2.885 116.754 119.600 0.065 0.000 2.700 756 M HA -0.078 4.401 4.480 -0.003 0.000 0.249 756 M C 1.771 178.163 176.300 0.153 0.000 1.082 756 M CA 1.516 56.885 55.300 0.116 0.000 1.077 756 M CB -0.521 32.177 32.600 0.164 0.000 1.477 756 M HN 0.123 nan 8.290 nan 0.000 0.529 757 I N 0.233 120.860 120.570 0.096 0.000 2.703 757 I HA -0.073 4.095 4.170 -0.003 0.000 0.259 757 I C 2.050 178.229 176.117 0.104 0.000 1.151 757 I CA 0.613 61.963 61.300 0.084 0.000 1.470 757 I CB -0.281 37.632 38.000 -0.145 0.000 1.112 757 I HN 0.277 nan 8.210 nan 0.000 0.437 758 K N 1.173 121.618 120.400 0.075 0.000 2.228 758 K HA 0.077 4.396 4.320 -0.003 0.000 0.202 758 K C 2.046 178.693 176.600 0.079 0.000 1.051 758 K CA 1.012 57.348 56.287 0.083 0.000 0.960 758 K CB -0.263 32.272 32.500 0.058 0.000 0.743 758 K HN 0.201 nan 8.250 nan 0.000 0.458 759 A N 0.907 123.772 122.820 0.075 0.000 2.067 759 A HA -0.043 4.275 4.320 -0.003 0.000 0.219 759 A C 1.845 179.475 177.584 0.075 0.000 1.158 759 A CA 0.982 53.059 52.037 0.067 0.000 0.661 759 A CB -0.348 18.690 19.000 0.063 0.000 0.801 759 A HN 0.213 nan 8.150 nan 0.000 0.452 760 L N -1.605 119.678 121.223 0.100 0.000 2.693 760 L HA 0.188 4.526 4.340 -0.003 0.000 0.235 760 L C -0.015 176.920 176.870 0.109 0.000 1.127 760 L CA -0.013 54.888 54.840 0.102 0.000 0.914 760 L CB -0.336 41.797 42.059 0.124 0.000 1.193 760 L HN 0.360 nan 8.230 nan 0.000 0.502 761 E N 0.983 121.249 120.200 0.110 0.000 2.328 761 E HA -0.215 4.133 4.350 -0.003 0.000 0.233 761 E C 0.037 176.718 176.600 0.135 0.000 1.219 761 E CA 0.087 56.552 56.400 0.109 0.000 0.717 761 E CB -0.944 28.802 29.700 0.075 0.000 1.210 761 E HN 0.251 nan 8.360 nan 0.000 0.381 762 L N 1.398 122.739 121.223 0.197 0.000 2.490 762 L HA 0.010 4.348 4.340 -0.003 0.000 0.274 762 L C 1.022 178.034 176.870 0.236 0.000 1.201 762 L CA 0.930 55.920 54.840 0.249 0.000 0.869 762 L CB 0.330 42.628 42.059 0.399 0.000 1.123 762 L HN 0.237 nan 8.230 nan 0.000 0.484 763 D N 6.830 127.311 120.400 0.135 0.000 2.425 763 D HA 0.036 4.674 4.640 -0.003 0.000 0.247 763 D C -1.700 174.556 176.300 -0.073 0.000 1.147 763 D CA -1.180 52.848 54.000 0.047 0.000 0.879 763 D CB 1.495 42.305 40.800 0.016 0.000 1.179 763 D HN 0.305 nan 8.370 nan 0.000 0.456 764 P HA -0.053 nan 4.420 nan 0.000 0.274 764 P C 0.305 177.415 177.300 -0.316 0.000 1.370 764 P CA 0.542 63.396 63.100 -0.411 0.000 0.760 764 P CB -0.012 31.588 31.700 -0.166 0.000 1.308 765 N N -0.730 117.858 118.700 -0.187 0.000 2.168 765 N HA 0.098 4.836 4.740 -0.003 0.000 0.216 765 N C 1.379 176.873 175.510 -0.026 0.000 1.259 765 N CA -0.021 52.985 53.050 -0.074 0.000 0.902 765 N CB 0.462 38.922 38.487 -0.045 0.000 1.079 765 N HN 0.051 nan 8.380 nan 0.000 0.507 766 L N 0.489 121.714 121.223 0.004 0.000 2.102 766 L HA 0.072 4.410 4.340 -0.003 0.000 0.202 766 L C 1.125 178.214 176.870 0.366 0.000 1.076 766 L CA 0.747 55.672 54.840 0.143 0.000 0.761 766 L CB -0.670 41.505 42.059 0.193 0.000 0.921 766 L HN 0.138 nan 8.230 nan 0.000 0.444 767 Y N -0.922 119.621 120.300 0.406 0.000 2.565 767 Y HA 0.785 5.333 4.550 -0.003 0.000 0.325 767 Y C -0.296 175.777 175.900 0.288 0.000 1.221 767 Y CA -1.909 56.421 58.100 0.383 0.000 1.316 767 Y CB 0.741 39.360 38.460 0.264 0.000 1.404 767 Y HN -0.220 nan 8.280 nan 0.000 0.527 768 R N 1.905 122.655 120.500 0.417 0.000 2.659 768 R HA 0.355 4.694 4.340 -0.003 0.000 0.290 768 R C -1.814 174.560 176.300 0.124 0.000 1.253 768 R CA -0.857 55.312 56.100 0.115 0.000 1.010 768 R CB 0.498 30.479 30.300 -0.532 0.000 1.236 768 R HN 0.750 nan 8.270 nan 0.000 0.413 769 I N 2.249 122.927 120.570 0.180 0.000 2.588 769 I HA 0.315 4.484 4.170 -0.003 0.000 0.283 769 I C 1.331 177.541 176.117 0.155 0.000 1.119 769 I CA 0.577 61.945 61.300 0.113 0.000 1.419 769 I CB 0.916 38.948 38.000 0.054 0.000 1.394 769 I HN 0.688 nan 8.210 nan 0.000 0.562 770 G N 4.683 113.634 108.800 0.252 0.000 3.099 770 G HA2 0.197 4.155 3.960 -0.003 0.000 0.151 770 G HA3 0.197 4.155 3.960 -0.003 0.000 0.151 770 G C 0.402 175.429 174.900 0.212 0.000 1.265 770 G CA 0.092 45.317 45.100 0.209 0.000 0.981 770 G HN 0.482 nan 8.290 nan 0.000 0.601 771 Q N -0.803 119.053 119.800 0.093 0.000 2.178 771 Q HA 0.032 4.370 4.340 -0.003 0.000 0.195 771 Q C 2.647 178.597 176.000 -0.084 0.000 0.960 771 Q CA 1.837 57.679 55.803 0.065 0.000 0.843 771 Q CB 0.161 28.914 28.738 0.025 0.000 0.927 771 Q HN 0.560 nan 8.270 nan 0.000 0.487 772 S N -0.824 114.633 115.700 -0.404 0.000 2.554 772 S HA 0.163 4.631 4.470 -0.003 0.000 0.227 772 S C 0.418 174.132 174.600 -1.476 0.000 1.050 772 S CA -0.347 57.387 58.200 -0.777 0.000 0.927 772 S CB 0.529 63.517 63.200 -0.353 0.000 0.859 772 S HN 0.222 nan 8.310 nan 0.000 0.494 773 K N 0.359 120.146 120.400 -1.022 0.000 2.444 773 K HA 0.710 5.029 4.320 -0.003 0.000 0.252 773 K C -1.275 175.105 176.600 -0.366 0.000 0.993 773 K CA -1.058 54.779 56.287 -0.750 0.000 0.847 773 K CB 1.407 33.596 32.500 -0.519 0.000 1.340 773 K HN 0.140 nan 8.250 nan 0.000 0.446 774 I N 1.221 121.646 120.570 -0.242 0.000 2.437 774 I HA 0.317 4.486 4.170 -0.003 0.000 0.298 774 I C -0.904 174.921 176.117 -0.487 0.000 0.984 774 I CA -0.918 60.215 61.300 -0.278 0.000 1.214 774 I CB 0.845 38.499 38.000 -0.577 0.000 1.365 774 I HN 0.442 nan 8.210 nan 0.000 0.469 775 F N 5.355 125.101 119.950 -0.339 0.000 2.332 775 F HA 0.447 4.973 4.527 -0.003 0.000 0.368 775 F C -0.109 175.677 175.800 -0.024 0.000 1.110 775 F CA -0.321 57.584 58.000 -0.159 0.000 1.087 775 F CB 0.603 39.475 39.000 -0.213 0.000 1.235 775 F HN 0.177 nan 8.300 nan 0.000 0.470 776 F N 1.790 121.999 119.950 0.432 0.000 2.411 776 F HA 0.638 5.164 4.527 -0.003 0.000 0.324 776 F C 0.630 176.674 175.800 0.406 0.000 1.086 776 F CA -0.932 57.329 58.000 0.436 0.000 1.028 776 F CB 0.755 39.942 39.000 0.311 0.000 1.284 776 F HN 0.208 nan 8.300 nan 0.000 0.501 777 R N -0.364 120.432 120.500 0.494 0.000 2.573 777 R HA 0.420 4.758 4.340 -0.003 0.000 0.272 777 R C -0.761 175.643 176.300 0.173 0.000 1.009 777 R CA -0.552 55.656 56.100 0.179 0.000 1.059 777 R CB 0.731 31.043 30.300 0.020 0.000 1.112 777 R HN 0.728 nan 8.270 nan 0.000 0.517 778 T N 0.852 115.467 114.554 0.101 0.000 2.933 778 T HA 0.229 4.577 4.350 -0.003 0.000 0.306 778 T C 1.270 176.020 174.700 0.083 0.000 1.045 778 T CA 0.570 62.727 62.100 0.096 0.000 1.143 778 T CB 0.334 69.243 68.868 0.067 0.000 1.003 778 T HN 0.794 nan 8.240 nan 0.000 0.540 779 G N 1.490 110.344 108.800 0.089 0.000 2.377 779 G HA2 -0.356 3.603 3.960 -0.003 0.000 0.250 779 G HA3 -0.356 3.603 3.960 -0.003 0.000 0.250 779 G C 1.051 175.985 174.900 0.058 0.000 1.039 779 G CA 0.326 45.472 45.100 0.076 0.000 0.625 779 G HN 0.738 nan 8.290 nan 0.000 0.526 780 V N 0.638 120.583 119.914 0.052 0.000 2.392 780 V HA -0.115 4.004 4.120 -0.003 0.000 0.249 780 V C 2.681 178.716 176.094 -0.098 0.000 1.059 780 V CA 2.081 64.381 62.300 0.001 0.000 1.051 780 V CB -0.424 31.431 31.823 0.052 0.000 0.658 780 V HN 0.374 nan 8.190 nan 0.000 0.455 781 L N 0.045 121.217 121.223 -0.084 0.000 2.240 781 L HA 0.143 4.481 4.340 -0.003 0.000 0.211 781 L C 2.500 179.332 176.870 -0.063 0.000 1.106 781 L CA 1.817 56.582 54.840 -0.125 0.000 0.793 781 L CB -1.412 40.666 42.059 0.033 0.000 0.927 781 L HN 0.288 nan 8.230 nan 0.000 0.446 782 A N -0.953 121.883 122.820 0.025 0.000 1.877 782 A HA -0.306 4.013 4.320 -0.003 0.000 0.216 782 A C 2.283 179.888 177.584 0.035 0.000 1.186 782 A CA 1.900 53.980 52.037 0.072 0.000 0.620 782 A CB -0.884 18.205 19.000 0.149 0.000 0.822 782 A HN 0.618 nan 8.150 nan 0.000 0.443 783 H N -0.835 118.193 119.070 -0.070 0.000 2.353 783 H HA -0.039 4.515 4.556 -0.003 0.000 0.300 783 H C 1.776 177.000 175.328 -0.173 0.000 1.090 783 H CA 1.526 57.515 56.048 -0.098 0.000 1.327 783 H CB -0.130 29.578 29.762 -0.091 0.000 1.383 783 H HN 0.242 nan 8.280 nan 0.000 0.508 784 L N 0.766 121.779 121.223 -0.349 0.000 2.046 784 L HA -0.135 4.204 4.340 -0.003 0.000 0.208 784 L C 2.368 178.851 176.870 -0.645 0.000 1.077 784 L CA 1.981 56.425 54.840 -0.660 0.000 0.747 784 L CB -1.115 40.365 42.059 -0.965 0.000 0.896 784 L HN 0.438 nan 8.230 nan 0.000 0.432 785 E N 0.050 120.027 120.200 -0.372 0.000 2.047 785 E HA -0.235 4.113 4.350 -0.003 0.000 0.191 785 E C 2.038 178.576 176.600 -0.104 0.000 0.987 785 E CA 1.426 57.759 56.400 -0.111 0.000 0.799 785 E CB 0.019 29.729 29.700 0.017 0.000 0.752 785 E HN 0.388 nan 8.360 nan 0.000 0.449 786 E N 0.156 120.286 120.200 -0.116 0.000 2.035 786 E HA -0.291 4.057 4.350 -0.003 0.000 0.204 786 E C 1.962 178.480 176.600 -0.137 0.000 1.025 786 E CA 1.941 58.287 56.400 -0.089 0.000 0.835 786 E CB -0.074 29.573 29.700 -0.087 0.000 0.764 786 E HN 0.241 nan 8.360 nan 0.000 0.457 787 E N 0.088 120.133 120.200 -0.259 0.000 2.068 787 E HA -0.320 4.029 4.350 -0.003 0.000 0.207 787 E C 2.231 178.753 176.600 -0.131 0.000 1.032 787 E CA 1.642 57.906 56.400 -0.227 0.000 0.839 787 E CB -0.546 28.951 29.700 -0.339 0.000 0.758 787 E HN 0.313 nan 8.360 nan 0.000 0.457 788 R N 0.999 121.426 120.500 -0.122 0.000 2.117 788 R HA -0.192 4.146 4.340 -0.003 0.000 0.243 788 R C 1.489 177.774 176.300 -0.025 0.000 1.143 788 R CA 2.084 58.161 56.100 -0.039 0.000 0.968 788 R CB -0.131 30.196 30.300 0.045 0.000 0.863 788 R HN 0.047 nan 8.270 nan 0.000 0.444 789 D N -0.097 120.287 120.400 -0.027 0.000 2.312 789 D HA -0.076 4.563 4.640 -0.003 0.000 0.211 789 D C 1.507 177.798 176.300 -0.015 0.000 0.964 789 D CA 0.647 54.639 54.000 -0.012 0.000 0.877 789 D CB 0.169 40.967 40.800 -0.004 0.000 0.924 789 D HN 0.197 nan 8.370 nan 0.000 0.515 790 L N 0.162 121.368 121.223 -0.029 0.000 2.145 790 L HA 0.050 4.388 4.340 -0.003 0.000 0.201 790 L C 2.068 178.925 176.870 -0.021 0.000 1.075 790 L CA 0.904 55.729 54.840 -0.025 0.000 0.773 790 L CB -0.083 41.954 42.059 -0.037 0.000 0.936 790 L HN -0.211 nan 8.230 nan 0.000 0.451 791 K N 0.362 120.745 120.400 -0.029 0.000 2.362 791 K HA -0.118 4.200 4.320 -0.003 0.000 0.202 791 K C 1.562 178.153 176.600 -0.016 0.000 1.045 791 K CA 1.524 57.797 56.287 -0.023 0.000 0.936 791 K CB -0.105 32.379 32.500 -0.028 0.000 0.747 791 K HN 0.494 nan 8.250 nan 0.000 0.467 792 I N -4.060 116.502 120.570 -0.013 0.000 4.240 792 I HA 0.061 4.229 4.170 -0.003 0.000 0.331 792 I C 1.408 177.527 176.117 0.003 0.000 1.381 792 I CA -0.223 61.072 61.300 -0.008 0.000 1.136 792 I CB 0.166 38.158 38.000 -0.014 0.000 1.137 792 I HN -0.245 nan 8.210 nan 0.000 0.411 793 T N 1.502 116.059 114.554 0.004 0.000 2.570 793 T HA -0.260 4.088 4.350 -0.003 0.000 0.266 793 T C 1.330 176.043 174.700 0.021 0.000 1.071 793 T CA 2.436 64.544 62.100 0.013 0.000 1.172 793 T CB -1.100 67.772 68.868 0.008 0.000 0.864 793 T HN 0.594 nan 8.240 nan 0.000 0.421 794 D N 2.414 122.823 120.400 0.015 0.000 2.177 794 D HA -0.184 4.455 4.640 -0.003 0.000 0.189 794 D C 2.166 178.486 176.300 0.033 0.000 1.002 794 D CA 1.580 55.591 54.000 0.019 0.000 0.845 794 D CB -1.391 39.416 40.800 0.012 0.000 0.960 794 D HN 0.417 nan 8.370 nan 0.000 0.447 795 V N 0.807 120.740 119.914 0.031 0.000 2.278 795 V HA -0.299 3.819 4.120 -0.003 0.000 0.251 795 V C 2.524 178.672 176.094 0.090 0.000 1.062 795 V CA 1.614 63.941 62.300 0.045 0.000 1.038 795 V CB -0.745 31.087 31.823 0.016 0.000 0.646 795 V HN 0.211 nan 8.190 nan 0.000 0.447 796 I N -0.314 120.303 120.570 0.078 0.000 2.163 796 I HA -0.237 3.931 4.170 -0.003 0.000 0.243 796 I C 2.465 178.659 176.117 0.128 0.000 1.085 796 I CA 1.819 63.194 61.300 0.126 0.000 1.347 796 I CB -1.060 36.987 38.000 0.080 0.000 1.044 796 I HN 0.272 nan 8.210 nan 0.000 0.408 797 I N 0.984 121.597 120.570 0.072 0.000 2.151 797 I HA -0.332 3.836 4.170 -0.003 0.000 0.243 797 I C 2.737 178.882 176.117 0.046 0.000 1.080 797 I CA 1.782 63.109 61.300 0.044 0.000 1.339 797 I CB -0.274 37.742 38.000 0.027 0.000 1.039 797 I HN 0.186 nan 8.210 nan 0.000 0.409 798 A N 0.236 123.095 122.820 0.064 0.000 1.851 798 A HA -0.308 4.010 4.320 -0.003 0.000 0.216 798 A C 2.251 179.887 177.584 0.087 0.000 1.195 798 A CA 2.074 54.151 52.037 0.066 0.000 0.622 798 A CB -1.256 17.789 19.000 0.075 0.000 0.831 798 A HN 0.476 nan 8.150 nan 0.000 0.444 799 F N 0.475 120.421 119.950 -0.007 0.000 2.046 799 F HA -0.244 4.281 4.527 -0.002 0.000 0.297 799 F C 2.443 178.239 175.800 -0.006 0.000 1.123 799 F CA 2.388 60.382 58.000 -0.010 0.000 1.199 799 F CB -0.936 38.055 39.000 -0.016 0.000 0.972 799 F HN 0.350 nan 8.300 nan 0.000 0.474 800 Q N 0.145 119.866 119.800 -0.132 0.000 2.182 800 Q HA -0.329 4.010 4.340 -0.003 0.000 0.213 800 Q C 2.332 178.196 176.000 -0.227 0.000 1.000 800 Q CA 2.530 58.210 55.803 -0.206 0.000 0.889 800 Q CB -0.666 28.047 28.738 -0.042 0.000 0.932 800 Q HN 0.608 nan 8.270 nan 0.000 0.415 801 A N 0.564 123.301 122.820 -0.140 0.000 1.834 801 A HA -0.292 4.026 4.320 -0.003 0.000 0.216 801 A C 1.931 179.439 177.584 -0.128 0.000 1.203 801 A CA 1.836 53.812 52.037 -0.101 0.000 0.621 801 A CB -0.818 18.150 19.000 -0.052 0.000 0.841 801 A HN 0.443 nan 8.150 nan 0.000 0.446 802 Q N -0.726 118.986 119.800 -0.146 0.000 2.217 802 Q HA -0.248 4.090 4.340 -0.003 0.000 0.209 802 Q C 2.402 178.313 176.000 -0.148 0.000 0.988 802 Q CA 1.763 57.496 55.803 -0.117 0.000 0.878 802 Q CB -0.781 27.899 28.738 -0.097 0.000 0.909 802 Q HN 0.787 nan 8.270 nan 0.000 0.424 803 C N 0.282 119.385 119.300 -0.329 0.000 2.453 803 C HA -0.089 4.370 4.460 -0.003 0.000 0.277 803 C C 2.676 177.622 174.990 -0.074 0.000 1.262 803 C CA 0.539 59.392 59.018 -0.274 0.000 1.718 803 C CB -0.876 26.595 27.740 -0.448 0.000 2.031 803 C HN 0.493 nan 8.230 nan 0.000 0.480 804 R N 0.834 121.281 120.500 -0.089 0.000 2.120 804 R HA -0.021 4.317 4.340 -0.003 0.000 0.234 804 R C 2.334 178.627 176.300 -0.012 0.000 1.123 804 R CA 1.521 57.597 56.100 -0.039 0.000 0.975 804 R CB -0.681 29.589 30.300 -0.049 0.000 0.866 804 R HN 0.649 nan 8.270 nan 0.000 0.446 805 G N 0.411 109.202 108.800 -0.014 0.000 2.575 805 G HA2 -0.355 3.604 3.960 -0.003 0.000 0.215 805 G HA3 -0.355 3.604 3.960 -0.003 0.000 0.215 805 G C 1.113 176.038 174.900 0.041 0.000 1.262 805 G CA 0.909 46.010 45.100 0.002 0.000 0.807 805 G HN 0.313 nan 8.290 nan 0.000 0.567 806 Y N 1.074 121.343 120.300 -0.051 0.000 1.967 806 Y HA -0.254 4.295 4.550 -0.002 0.000 0.260 806 Y C 2.598 178.489 175.900 -0.015 0.000 1.181 806 Y CA 2.319 60.403 58.100 -0.027 0.000 1.097 806 Y CB -0.708 37.729 38.460 -0.038 0.000 0.934 806 Y HN 0.125 nan 8.280 nan 0.000 0.492 807 L N -0.579 120.800 121.223 0.260 0.000 2.357 807 L HA -0.304 4.034 4.340 -0.003 0.000 0.220 807 L C 2.144 179.027 176.870 0.022 0.000 1.123 807 L CA 1.371 56.298 54.840 0.145 0.000 0.782 807 L CB -0.541 41.586 42.059 0.113 0.000 0.910 807 L HN 0.558 nan 8.230 nan 0.000 0.442 808 A N -0.143 122.678 122.820 0.000 0.000 1.884 808 A HA -0.050 4.268 4.320 -0.003 0.000 0.212 808 A C 2.093 179.690 177.584 0.021 0.000 1.265 808 A CA 0.434 52.470 52.037 -0.002 0.000 0.626 808 A CB -0.369 18.617 19.000 -0.022 0.000 0.943 808 A HN 0.367 nan 8.150 nan 0.000 0.466 809 R N 0.871 121.367 120.500 -0.007 0.000 2.174 809 R HA -0.191 4.148 4.340 -0.003 0.000 0.253 809 R C 1.501 177.880 176.300 0.131 0.000 1.165 809 R CA 1.587 57.732 56.100 0.074 0.000 0.984 809 R CB -0.784 29.513 30.300 -0.005 0.000 0.873 809 R HN 0.443 nan 8.270 nan 0.000 0.456 810 K N 0.903 121.270 120.400 -0.055 0.000 2.021 810 K HA 0.098 4.417 4.320 -0.003 0.000 0.205 810 K C 2.174 178.744 176.600 -0.049 0.000 1.047 810 K CA 1.175 57.397 56.287 -0.108 0.000 0.943 810 K CB -0.236 32.107 32.500 -0.262 0.000 0.725 810 K HN 0.228 nan 8.250 nan 0.000 0.439 811 A N 1.112 123.926 122.820 -0.011 0.000 2.172 811 A HA -0.096 4.223 4.320 -0.003 0.000 0.216 811 A C 1.829 179.431 177.584 0.031 0.000 1.154 811 A CA 0.752 52.788 52.037 -0.002 0.000 0.701 811 A CB -0.581 18.424 19.000 0.009 0.000 0.789 811 A HN 0.397 nan 8.150 nan 0.000 0.465 812 F N 0.184 120.093 119.950 -0.069 0.000 2.188 812 F HA 0.327 4.852 4.527 -0.003 0.000 0.289 812 F C 1.990 177.752 175.800 -0.064 0.000 1.082 812 F CA 0.875 58.837 58.000 -0.063 0.000 1.282 812 F CB -0.555 38.409 39.000 -0.059 0.000 1.060 812 F HN 0.099 nan 8.300 nan 0.000 0.493 813 A N 0.555 122.934 122.820 -0.735 0.000 2.277 813 A HA -0.068 4.250 4.320 -0.003 0.000 0.208 813 A C 1.918 179.250 177.584 -0.419 0.000 1.202 813 A CA 1.477 53.028 52.037 -0.809 0.000 0.762 813 A CB -1.032 17.760 19.000 -0.347 0.000 0.770 813 A HN 0.644 nan 8.150 nan 0.000 0.487 814 K N -0.747 119.472 120.400 -0.302 0.000 2.172 814 K HA 0.128 4.447 4.320 -0.003 0.000 0.203 814 K C 1.691 178.177 176.600 -0.189 0.000 1.040 814 K CA 0.700 56.875 56.287 -0.187 0.000 0.974 814 K CB -0.264 32.169 32.500 -0.113 0.000 0.857 814 K HN 0.023 nan 8.250 nan 0.000 0.464 815 R N 1.113 121.503 120.500 -0.183 0.000 2.249 815 R HA 0.002 4.340 4.340 -0.003 0.000 0.230 815 R C 2.131 178.310 176.300 -0.202 0.000 1.121 815 R CA 1.399 57.407 56.100 -0.153 0.000 0.997 815 R CB -0.412 29.828 30.300 -0.101 0.000 0.867 815 R HN 0.549 nan 8.270 nan 0.000 0.465 816 Q N -0.234 119.392 119.800 -0.291 0.000 2.172 816 Q HA -0.193 4.146 4.340 -0.003 0.000 0.200 816 Q C 1.888 177.763 176.000 -0.207 0.000 0.964 816 Q CA 1.523 57.151 55.803 -0.291 0.000 0.855 816 Q CB 0.156 28.642 28.738 -0.420 0.000 0.918 816 Q HN 0.593 nan 8.270 nan 0.000 0.444 817 Q N -0.243 119.449 119.800 -0.179 0.000 2.083 817 Q HA -0.189 4.149 4.340 -0.003 0.000 0.198 817 Q C 1.761 177.691 176.000 -0.117 0.000 0.969 817 Q CA 1.076 56.802 55.803 -0.128 0.000 0.838 817 Q CB -0.288 28.385 28.738 -0.108 0.000 0.900 817 Q HN 0.361 nan 8.270 nan 0.000 0.436 818 Q N 0.981 120.706 119.800 -0.124 0.000 2.291 818 Q HA -0.060 4.278 4.340 -0.003 0.000 0.205 818 Q C 1.762 177.670 176.000 -0.154 0.000 0.970 818 Q CA 0.870 56.604 55.803 -0.116 0.000 0.876 818 Q CB -0.388 28.285 28.738 -0.107 0.000 0.935 818 Q HN 0.491 nan 8.270 nan 0.000 0.455 819 L N 1.023 122.128 121.223 -0.198 0.000 2.589 819 L HA -0.034 4.304 4.340 -0.003 0.000 0.146 819 L C 2.238 178.951 176.870 -0.262 0.000 1.557 819 L CA 0.841 55.498 54.840 -0.306 0.000 3.084 819 L CB -0.505 41.359 42.059 -0.325 0.000 3.028 819 L HN 0.157 nan 8.230 nan 0.000 0.925 820 E N -0.014 120.132 120.200 -0.090 0.000 2.245 820 E HA -0.348 4.001 4.350 -0.003 0.000 0.217 820 E C 1.838 178.453 176.600 0.024 0.000 1.069 820 E CA 2.192 58.637 56.400 0.074 0.000 0.877 820 E CB -0.981 28.819 29.700 0.166 0.000 0.757 820 E HN 0.628 nan 8.360 nan 0.000 0.464 821 S N 0.717 116.399 115.700 -0.030 0.000 2.440 821 S HA -0.138 4.331 4.470 -0.003 0.000 0.240 821 S C 1.874 176.443 174.600 -0.051 0.000 1.014 821 S CA 1.339 59.523 58.200 -0.026 0.000 0.980 821 S CB -0.306 62.871 63.200 -0.038 0.000 0.775 821 S HN 0.308 nan 8.310 nan 0.000 0.499 822 I N -0.004 120.484 120.570 -0.136 0.000 2.141 822 I HA -0.148 4.021 4.170 -0.003 0.000 0.236 822 I C 1.905 177.953 176.117 -0.115 0.000 1.071 822 I CA 1.116 62.310 61.300 -0.176 0.000 1.345 822 I CB -0.577 37.235 38.000 -0.313 0.000 1.066 822 I HN 0.204 nan 8.210 nan 0.000 0.406 823 F N 1.147 121.005 119.950 -0.153 0.000 2.063 823 F HA -0.387 4.139 4.527 -0.002 0.000 0.297 823 F C 2.970 178.668 175.800 -0.170 0.000 1.099 823 F CA 1.704 59.543 58.000 -0.268 0.000 1.220 823 F CB -1.494 37.421 39.000 -0.143 0.000 0.972 823 F HN 0.301 nan 8.300 nan 0.000 0.487 824 C N 0.886 120.303 119.300 0.194 0.000 2.393 824 C HA -0.220 4.238 4.460 -0.003 0.000 0.276 824 C C 2.908 177.956 174.990 0.097 0.000 1.215 824 C CA 1.295 60.403 59.018 0.151 0.000 1.743 824 C CB -1.332 26.470 27.740 0.103 0.000 2.044 824 C HN 0.431 nan 8.230 nan 0.000 0.464 825 I N 0.082 120.676 120.570 0.040 0.000 2.202 825 I HA -0.205 3.963 4.170 -0.003 0.000 0.242 825 I C 2.715 178.842 176.117 0.018 0.000 1.091 825 I CA 1.707 63.017 61.300 0.017 0.000 1.368 825 I CB -1.338 36.652 38.000 -0.017 0.000 1.058 825 I HN 0.557 nan 8.210 nan 0.000 0.410 826 Q N 0.401 120.182 119.800 -0.032 0.000 1.935 826 Q HA -0.261 4.078 4.340 -0.003 0.000 0.212 826 Q C 2.354 178.360 176.000 0.010 0.000 1.008 826 Q CA 2.404 58.160 55.803 -0.078 0.000 0.868 826 Q CB -0.367 28.242 28.738 -0.214 0.000 0.946 826 Q HN 0.370 nan 8.270 nan 0.000 0.418 827 Y N 0.949 121.314 120.300 0.107 0.000 2.081 827 Y HA -0.289 4.260 4.550 -0.002 0.000 0.280 827 Y C 2.154 178.096 175.900 0.070 0.000 1.163 827 Y CA 1.108 59.251 58.100 0.072 0.000 1.135 827 Y CB -0.919 37.569 38.460 0.047 0.000 0.970 827 Y HN 0.273 nan 8.280 nan 0.000 0.498 828 N N 0.107 118.949 118.700 0.236 0.000 2.133 828 N HA -0.197 4.542 4.740 -0.003 0.000 0.193 828 N C 1.900 177.504 175.510 0.157 0.000 1.012 828 N CA 1.769 54.917 53.050 0.164 0.000 0.871 828 N CB -0.338 38.219 38.487 0.116 0.000 1.011 828 N HN 0.209 nan 8.380 nan 0.000 0.435 829 V N 1.269 121.267 119.914 0.140 0.000 2.283 829 V HA -0.140 3.978 4.120 -0.003 0.000 0.243 829 V C 2.419 178.648 176.094 0.224 0.000 1.039 829 V CA 1.230 63.622 62.300 0.153 0.000 1.016 829 V CB -0.355 31.530 31.823 0.103 0.000 0.650 829 V HN 0.269 nan 8.190 nan 0.000 0.449 830 R N -0.153 120.454 120.500 0.179 0.000 2.134 830 R HA -0.228 4.110 4.340 -0.003 0.000 0.248 830 R C 2.592 178.981 176.300 0.147 0.000 1.143 830 R CA 1.957 58.152 56.100 0.158 0.000 0.957 830 R CB -0.706 29.691 30.300 0.162 0.000 0.867 830 R HN 0.452 nan 8.270 nan 0.000 0.441 831 S N 0.471 116.267 115.700 0.161 0.000 2.427 831 S HA -0.248 4.220 4.470 -0.003 0.000 0.231 831 S C 1.545 176.238 174.600 0.156 0.000 1.045 831 S CA 1.829 60.109 58.200 0.132 0.000 1.154 831 S CB -0.542 62.758 63.200 0.166 0.000 1.093 831 S HN 0.382 nan 8.310 nan 0.000 0.422 832 F N 2.036 122.038 119.950 0.085 0.000 2.085 832 F HA -0.239 4.287 4.527 -0.002 0.000 0.299 832 F C 2.224 178.070 175.800 0.078 0.000 1.096 832 F CA 1.854 59.918 58.000 0.107 0.000 1.227 832 F CB -0.353 38.709 39.000 0.102 0.000 0.983 832 F HN 0.183 nan 8.300 nan 0.000 0.482 833 M N -0.157 119.435 119.600 -0.015 0.000 2.346 833 M HA -0.214 4.265 4.480 -0.003 0.000 0.263 833 M C 1.461 177.678 176.300 -0.139 0.000 1.064 833 M CA 1.522 56.743 55.300 -0.131 0.000 1.083 833 M CB -1.103 31.528 32.600 0.051 0.000 1.399 833 M HN 0.288 nan 8.290 nan 0.000 0.435 834 N N -0.466 118.185 118.700 -0.081 0.000 2.368 834 N HA 0.044 4.783 4.740 -0.003 0.000 0.178 834 N C 0.656 176.137 175.510 -0.048 0.000 1.021 834 N CA 0.245 53.267 53.050 -0.048 0.000 0.875 834 N CB 0.342 38.799 38.487 -0.051 0.000 1.020 834 N HN -0.005 nan 8.380 nan 0.000 0.433 838 W N 5.989 127.349 121.300 0.099 0.000 2.388 838 W HA 0.297 4.956 4.660 -0.003 0.000 0.308 838 W C -1.529 175.026 176.519 0.060 0.000 1.263 838 W CA -2.304 55.092 57.345 0.085 0.000 1.286 838 W CB 0.606 30.114 29.460 0.080 0.000 1.294 838 W HN -0.032 nan 8.180 nan 0.000 0.493 839 P HA -0.318 nan 4.420 nan 0.000 0.221 839 P C 1.183 178.141 177.300 -0.570 0.000 1.160 839 P CA 2.704 65.554 63.100 -0.417 0.000 0.933 839 P CB -0.237 31.114 31.700 -0.581 0.000 0.793 840 W N -1.361 119.417 121.300 -0.869 0.000 2.342 840 W HA -0.058 4.600 4.660 -0.003 0.000 0.297 840 W C 1.912 178.099 176.519 -0.553 0.000 1.213 840 W CA 0.089 56.906 57.345 -0.880 0.000 1.251 840 W CB -0.937 27.514 29.460 -1.681 0.000 1.136 840 W HN -0.003 nan 8.180 nan 0.000 0.526 844 F N 1.615 121.513 119.950 -0.087 0.000 2.147 844 F HA -0.103 4.423 4.527 -0.002 0.000 0.301 844 F C 1.076 176.931 175.800 0.091 0.000 1.084 844 F CA 1.088 59.061 58.000 -0.045 0.000 1.268 844 F CB -0.146 38.744 39.000 -0.182 0.000 1.009 844 F HN -0.054 nan 8.300 nan 0.000 0.486 850 L N 0.124 121.334 121.223 -0.022 0.000 2.450 850 L HA -0.078 4.261 4.340 -0.003 0.000 0.225 850 L C 0.928 177.795 176.870 -0.004 0.000 1.145 850 L CA 1.257 56.092 54.840 -0.009 0.000 0.801 850 L CB -0.951 41.107 42.059 -0.002 0.000 0.924 850 L HN 0.125 nan 8.230 nan 0.000 0.447 851 L N -0.990 120.227 121.223 -0.010 0.000 2.479 851 L HA 0.258 4.596 4.340 -0.003 0.000 0.248 851 L C 0.747 177.618 176.870 0.002 0.000 1.205 851 L CA 0.202 55.043 54.840 0.002 0.000 0.817 851 L CB 0.332 42.391 42.059 0.001 0.000 1.162 851 L HN 0.258 nan 8.230 nan 0.000 0.486 852 K N -0.791 119.616 120.400 0.011 0.000 1.829 852 K HA 0.860 5.179 4.320 -0.003 0.000 0.259 852 K C -0.212 176.399 176.600 0.018 0.000 0.791 852 K CA -0.032 56.262 56.287 0.011 0.000 0.608 852 K CB 0.734 33.240 32.500 0.010 0.000 2.080 852 K HN 0.191 nan 8.250 nan 0.000 0.695 853 V N -1.550 118.371 119.914 0.012 0.000 3.417 853 V HA 0.127 4.246 4.120 -0.003 0.000 0.196 853 V C 2.289 178.389 176.094 0.010 0.000 1.508 853 V CA 1.209 63.515 62.300 0.009 0.000 1.178 853 V CB -0.606 nan 31.823 nan 0.000 1.135 853 V HN 0.881 nan 8.190 nan 0.000 0.526 854 T N 0.490 115.051 114.554 0.011 0.000 2.684 854 T HA -0.144 4.204 4.350 -0.003 0.000 0.267 854 T C 2.191 176.898 174.700 0.011 0.000 1.036 854 T CA 4.580 66.686 62.100 0.010 0.000 1.148 854 T CB -0.532 nan 68.868 nan 0.000 0.863 854 T HN 1.185 nan 8.240 nan 0.000 0.436 855 R N 0.529 121.038 120.500 0.014 0.000 2.083 855 R HA 0.053 4.391 4.340 -0.003 0.000 0.237 855 R C 2.778 179.086 176.300 0.013 0.000 1.137 855 R CA 2.575 58.684 56.100 0.014 0.000 0.951 855 R CB -1.859 nan 30.300 nan 0.000 0.851 855 R HN 0.859 nan 8.270 nan 0.000 0.434 856 Q N -0.707 119.101 119.800 0.013 0.000 2.061 856 Q HA -0.159 4.179 4.340 -0.003 0.000 0.204 856 Q C 2.516 178.521 176.000 0.009 0.000 0.984 856 Q CA 3.173 58.983 55.803 0.011 0.000 0.846 856 Q CB -1.431 nan 28.738 nan 0.000 0.902 856 Q HN 0.932 nan 8.270 nan 0.000 0.421 857 E N 0.307 120.512 120.200 0.008 0.000 2.058 857 E HA -0.143 4.206 4.350 -0.003 0.000 0.194 857 E C 2.178 178.782 176.600 0.007 0.000 0.997 857 E CA 2.934 59.339 56.400 0.007 0.000 0.801 857 E CB -1.388 nan 29.700 nan 0.000 0.746 857 E HN 1.002 nan 8.360 nan 0.000 0.450 858 E N 0.123 120.328 120.200 0.008 0.000 2.058 858 E HA -0.133 4.215 4.350 -0.003 0.000 0.194 858 E C 2.330 178.935 176.600 0.007 0.000 0.997 858 E CA 2.864 59.269 56.400 0.008 0.000 0.801 858 E CB -1.421 nan 29.700 nan 0.000 0.746 858 E HN 0.913 nan 8.360 nan 0.000 0.450 859 E N -0.351 119.854 120.200 0.008 0.000 2.058 859 E HA 0.008 4.356 4.350 -0.003 0.000 0.194 859 E C 2.502 179.106 176.600 0.007 0.000 0.997 859 E CA 3.348 59.753 56.400 0.008 0.000 0.801 859 E CB -1.338 nan 29.700 nan 0.000 0.746 859 E HN 0.992 nan 8.360 nan 0.000 0.450 860 M N -1.012 118.593 119.600 0.007 0.000 3.633 860 M HA 0.311 4.790 4.480 -0.003 0.000 0.301 860 M C 2.727 179.031 176.300 0.005 0.000 1.113 860 M CA 4.387 59.691 55.300 0.006 0.000 1.060 860 M CB -1.406 nan 32.600 nan 0.000 1.100 860 M HN 1.093 nan 8.290 nan 0.000 0.641 861 Q N -3.269 116.534 119.800 0.005 0.000 2.439 861 Q HA 0.651 4.989 4.340 -0.003 0.000 0.193 861 Q C 2.312 178.314 176.000 0.005 0.000 0.724 861 Q CA 1.771 57.577 55.803 0.005 0.000 0.919 861 Q CB -0.665 nan 28.738 nan 0.000 1.289 861 Q HN 1.961 nan 8.270 nan 0.000 0.440 862 A N 1.805 124.628 122.820 0.005 0.000 1.883 862 A HA 0.048 4.366 4.320 -0.003 0.000 0.217 862 A C 2.585 180.172 177.584 0.004 0.000 1.186 862 A CA 3.639 55.679 52.037 0.005 0.000 0.624 862 A CB -1.016 nan 19.000 nan 0.000 0.822 862 A HN 1.110 nan 8.150 nan 0.000 0.444 863 K N -1.112 119.291 120.400 0.004 0.000 2.032 863 K HA -0.154 4.165 4.320 -0.003 0.000 0.209 863 K C 1.959 178.561 176.600 0.004 0.000 1.048 863 K CA 2.496 58.785 56.287 0.004 0.000 0.927 863 K CB -2.196 nan 32.500 nan 0.000 0.712 863 K HN 0.802 nan 8.250 nan 0.000 0.441 864 D N 0.004 120.406 120.400 0.003 0.000 2.104 864 D HA -0.114 4.525 4.640 -0.003 0.000 0.194 864 D C 2.360 178.662 176.300 0.003 0.000 0.994 864 D CA 2.888 56.890 54.000 0.003 0.000 0.830 864 D CB -0.909 nan 40.800 nan 0.000 0.959 864 D HN 0.747 nan 8.370 nan 0.000 0.452 865 E N -0.152 120.050 120.200 0.003 0.000 2.058 865 E HA -0.055 4.293 4.350 -0.003 0.000 0.194 865 E C 2.360 178.961 176.600 0.003 0.000 0.997 865 E CA 2.749 59.151 56.400 0.003 0.000 0.801 865 E CB -1.547 nan 29.700 nan 0.000 0.746 865 E HN 0.910 nan 8.360 nan 0.000 0.450 866 E N 0.028 120.230 120.200 0.003 0.000 2.058 866 E HA 0.064 4.412 4.350 -0.003 0.000 0.194 866 E C 2.663 179.265 176.600 0.003 0.000 0.997 866 E CA 2.824 59.226 56.400 0.003 0.000 0.801 866 E CB -1.582 nan 29.700 nan 0.000 0.746 866 E HN 1.258 nan 8.360 nan 0.000 0.450 867 L N 0.217 121.441 121.223 0.003 0.000 2.012 867 L HA 0.009 4.347 4.340 -0.003 0.000 0.210 867 L C 3.076 179.947 176.870 0.002 0.000 1.073 867 L CA 3.871 58.713 54.840 0.002 0.000 0.748 867 L CB -2.179 nan 42.059 nan 0.000 0.891 867 L HN 0.758 nan 8.230 nan 0.000 0.431 868 Q N -0.562 119.239 119.800 0.002 0.000 2.061 868 Q HA -0.262 4.077 4.340 -0.003 0.000 0.204 868 Q C 2.601 178.602 176.000 0.002 0.000 0.984 868 Q CA 4.161 59.965 55.803 0.002 0.000 0.846 868 Q CB -1.381 nan 28.738 nan 0.000 0.902 868 Q HN 1.004 nan 8.270 nan 0.000 0.421 869 R N 0.093 120.594 120.500 0.002 0.000 2.083 869 R HA -0.055 4.283 4.340 -0.003 0.000 0.237 869 R C 2.804 179.106 176.300 0.002 0.000 1.137 869 R CA 3.179 59.280 56.100 0.002 0.000 0.951 869 R CB -2.160 nan 30.300 nan 0.000 0.851 869 R HN 0.967 nan 8.270 nan 0.000 0.434 870 T N 0.241 114.796 114.554 0.002 0.000 2.684 870 T HA -0.062 4.286 4.350 -0.003 0.000 0.267 870 T C 2.506 177.207 174.700 0.002 0.000 1.036 870 T CA 3.605 65.706 62.100 0.002 0.000 1.148 870 T CB -0.670 nan 68.868 nan 0.000 0.863 870 T HN 0.710 nan 8.240 nan 0.000 0.436 871 K N 0.924 121.325 120.400 0.002 0.000 2.032 871 K HA 0.064 4.383 4.320 -0.003 0.000 0.209 871 K C 2.464 179.065 176.600 0.001 0.000 1.048 871 K CA 2.300 58.588 56.287 0.001 0.000 0.927 871 K CB -1.740 nan 32.500 nan 0.000 0.712 871 K HN 0.829 nan 8.250 nan 0.000 0.441 872 E N 0.298 120.498 120.200 0.001 0.000 2.058 872 E HA -0.194 4.154 4.350 -0.003 0.000 0.194 872 E C 2.520 179.120 176.600 0.001 0.000 0.997 872 E CA 2.772 59.172 56.400 0.001 0.000 0.801 872 E CB -1.321 nan 29.700 nan 0.000 0.746 872 E HN 0.827 nan 8.360 nan 0.000 0.450 873 R N -0.316 120.184 120.500 0.001 0.000 2.083 873 R HA -0.096 4.242 4.340 -0.003 0.000 0.237 873 R C 2.851 179.151 176.300 0.001 0.000 1.137 873 R CA 3.141 59.241 56.100 0.001 0.000 0.951 873 R CB -1.834 nan 30.300 nan 0.000 0.851 873 R HN 0.864 nan 8.270 nan 0.000 0.434 874 Q N -0.915 118.886 119.800 0.001 0.000 2.061 874 Q HA -0.220 4.118 4.340 -0.003 0.000 0.204 874 Q C 2.669 178.670 176.000 0.001 0.000 0.984 874 Q CA 3.361 59.165 55.803 0.001 0.000 0.846 874 Q CB -1.475 nan 28.738 nan 0.000 0.902 874 Q HN 0.959 nan 8.270 nan 0.000 0.421 875 Q N -0.124 119.677 119.800 0.001 0.000 2.061 875 Q HA -0.155 4.183 4.340 -0.003 0.000 0.204 875 Q C 2.564 178.565 176.000 0.001 0.000 0.984 875 Q CA 3.732 59.536 55.803 0.001 0.000 0.846 875 Q CB -1.493 nan 28.738 nan 0.000 0.902 875 Q HN 1.043 nan 8.270 nan 0.000 0.421 876 K N 0.466 120.866 120.400 0.001 0.000 2.032 876 K HA 0.221 4.539 4.320 -0.003 0.000 0.209 876 K C 2.655 179.256 176.600 0.001 0.000 1.048 876 K CA 2.203 58.491 56.287 0.001 0.000 0.927 876 K CB -1.393 nan 32.500 nan 0.000 0.712 876 K HN 1.089 nan 8.250 nan 0.000 0.441 877 A N 0.835 123.656 122.820 0.001 0.000 1.883 877 A HA -0.003 4.315 4.320 -0.003 0.000 0.217 877 A C 2.552 180.137 177.584 0.001 0.000 1.186 877 A CA 2.699 54.737 52.037 0.001 0.000 0.624 877 A CB -1.105 nan 19.000 nan 0.000 0.822 877 A HN 0.797 nan 8.150 nan 0.000 0.444 878 E N -0.353 119.847 120.200 0.001 0.000 2.058 878 E HA -0.058 4.290 4.350 -0.003 0.000 0.194 878 E C 2.360 178.960 176.600 0.001 0.000 0.997 878 E CA 2.366 58.767 56.400 0.001 0.000 0.801 878 E CB -1.298 nan 29.700 nan 0.000 0.746 878 E HN 1.094 nan 8.360 nan 0.000 0.450 879 A N 0.802 123.623 122.820 0.001 0.000 1.883 879 A HA 0.014 4.333 4.320 -0.003 0.000 0.217 879 A C 2.571 180.155 177.584 0.001 0.000 1.186 879 A CA 3.224 55.261 52.037 0.001 0.000 0.624 879 A CB -1.112 nan 19.000 nan 0.000 0.822 879 A HN 0.795 nan 8.150 nan 0.000 0.444 880 E N -0.786 119.415 120.200 0.001 0.000 2.058 880 E HA 0.002 4.351 4.350 -0.003 0.000 0.194 880 E C 2.417 179.018 176.600 0.001 0.000 0.997 880 E CA 2.571 58.972 56.400 0.001 0.000 0.801 880 E CB -1.698 nan 29.700 nan 0.000 0.746 880 E HN 1.330 nan 8.360 nan 0.000 0.450 881 L N 0.851 122.074 121.223 0.001 0.000 2.012 881 L HA 0.074 4.412 4.340 -0.003 0.000 0.210 881 L C 3.089 179.960 176.870 0.001 0.000 1.073 881 L CA 4.073 58.913 54.840 0.001 0.000 0.748 881 L CB -2.205 nan 42.059 nan 0.000 0.891 881 L HN 0.779 nan 8.230 nan 0.000 0.431 882 K N -0.104 120.296 120.400 0.001 0.000 2.032 882 K HA -0.142 4.176 4.320 -0.003 0.000 0.209 882 K C 2.379 178.980 176.600 0.001 0.000 1.048 882 K CA 3.109 59.397 56.287 0.001 0.000 0.927 882 K CB -1.703 nan 32.500 nan 0.000 0.712 882 K HN 1.038 nan 8.250 nan 0.000 0.441 883 E N 0.334 120.535 120.200 0.001 0.000 2.058 883 E HA 0.070 4.418 4.350 -0.003 0.000 0.194 883 E C 2.683 179.283 176.600 0.000 0.000 0.997 883 E CA 2.551 58.951 56.400 0.000 0.000 0.801 883 E CB -1.551 nan 29.700 nan 0.000 0.746 883 E HN 1.055 nan 8.360 nan 0.000 0.450 884 L N 0.687 121.911 121.223 0.001 0.000 2.012 884 L HA 0.107 4.446 4.340 -0.003 0.000 0.210 884 L C 2.886 179.756 176.870 0.000 0.000 1.073 884 L CA 3.705 58.545 54.840 0.001 0.000 0.748 884 L CB -2.137 nan 42.059 nan 0.000 0.891 884 L HN 0.749 nan 8.230 nan 0.000 0.431 885 E N -0.490 119.710 120.200 0.000 0.000 2.058 885 E HA -0.244 4.104 4.350 -0.003 0.000 0.194 885 E C 2.347 178.947 176.600 0.000 0.000 0.997 885 E CA 3.363 59.764 56.400 0.000 0.000 0.801 885 E CB -1.365 nan 29.700 nan 0.000 0.746 885 E HN 1.146 nan 8.360 nan 0.000 0.450 886 Q N -0.161 119.639 119.800 0.000 0.000 2.061 886 Q HA -0.142 4.196 4.340 -0.003 0.000 0.204 886 Q C 2.686 178.687 176.000 0.000 0.000 0.984 886 Q CA 3.712 59.515 55.803 0.000 0.000 0.846 886 Q CB -1.483 nan 28.738 nan 0.000 0.902 886 Q HN 0.947 nan 8.270 nan 0.000 0.421 887 K N -0.185 120.215 120.400 0.000 0.000 2.032 887 K HA -0.157 4.162 4.320 -0.003 0.000 0.209 887 K C 2.311 178.911 176.600 0.000 0.000 1.048 887 K CA 2.834 59.121 56.287 0.000 0.000 0.927 887 K CB -2.110 nan 32.500 nan 0.000 0.712 887 K HN 1.173 nan 8.250 nan 0.000 0.441 888 H N -0.781 118.289 119.070 0.000 0.000 2.319 888 H HA -0.006 4.548 4.556 -0.003 0.000 0.299 888 H C 2.856 178.184 175.328 0.000 0.000 1.092 888 H CA 3.553 59.601 56.048 0.000 0.000 1.302 888 H CB -1.400 nan 29.762 nan 0.000 1.373 888 H HN 0.756 nan 8.280 nan 0.000 0.497 889 T N -0.498 114.056 114.554 0.000 0.000 2.684 889 T HA -0.069 4.279 4.350 -0.003 0.000 0.267 889 T C 2.485 177.185 174.700 0.000 0.000 1.036 889 T CA 3.758 65.858 62.100 0.000 0.000 1.148 889 T CB -1.166 nan 68.868 nan 0.000 0.863 889 T HN 0.863 nan 8.240 nan 0.000 0.436 890 Q N 0.337 120.137 119.800 0.000 0.000 2.061 890 Q HA 0.227 4.566 4.340 -0.003 0.000 0.204 890 Q C 2.942 178.942 176.000 0.000 0.000 0.984 890 Q CA 3.077 58.880 55.803 0.000 0.000 0.846 890 Q CB -1.780 nan 28.738 nan 0.000 0.902 890 Q HN 1.210 nan 8.270 nan 0.000 0.421 891 L N -0.215 121.008 121.223 0.000 0.000 2.012 891 L HA -0.048 4.291 4.340 -0.003 0.000 0.210 891 L C 3.164 180.035 176.870 0.000 0.000 1.073 891 L CA 2.978 57.819 54.840 0.000 0.000 0.748 891 L CB -2.338 nan 42.059 nan 0.000 0.891 891 L HN 0.996 nan 8.230 nan 0.000 0.431 892 C N -0.140 119.160 119.300 0.000 0.000 2.413 892 C HA 0.050 4.508 4.460 -0.003 0.000 0.276 892 C C 3.088 178.078 174.990 0.000 0.000 1.236 892 C CA 3.268 62.286 59.018 0.000 0.000 1.735 892 C CB -1.297 nan 27.740 nan 0.000 2.031 892 C HN 0.800 nan 8.230 nan 0.000 0.474 893 E N 0.140 120.340 120.200 0.000 0.000 2.058 893 E HA -0.081 4.268 4.350 -0.003 0.000 0.194 893 E C 2.024 178.625 176.600 0.000 0.000 0.997 893 E CA 3.207 59.607 56.400 0.000 0.000 0.801 893 E CB -1.394 nan 29.700 nan 0.000 0.746 893 E HN 0.986 nan 8.360 nan 0.000 0.450 894 E N 0.461 120.661 120.200 0.000 0.000 2.058 894 E HA -0.173 4.175 4.350 -0.003 0.000 0.194 894 E C 2.504 179.104 176.600 0.000 0.000 0.997 894 E CA 3.023 59.423 56.400 0.000 0.000 0.801 894 E CB -1.398 nan 29.700 nan 0.000 0.746 894 E HN 0.844 nan 8.360 nan 0.000 0.450 895 K N 0.248 120.648 120.400 0.000 0.000 2.032 895 K HA -0.192 4.126 4.320 -0.003 0.000 0.209 895 K C 2.444 179.044 176.600 0.000 0.000 1.048 895 K CA 2.339 58.626 56.287 0.000 0.000 0.927 895 K CB -2.131 nan 32.500 nan 0.000 0.712 895 K HN 0.852 nan 8.250 nan 0.000 0.441 896 N N 0.618 119.318 118.700 0.000 0.000 2.069 896 N HA 0.030 4.768 4.740 -0.003 0.000 0.191 896 N C 2.574 178.085 175.510 0.000 0.000 1.031 896 N CA 3.292 56.342 53.050 0.000 0.000 0.852 896 N CB -1.279 nan 38.487 nan 0.000 1.018 896 N HN 0.903 nan 8.380 nan 0.000 0.423 897 L N 0.329 121.552 121.223 0.000 0.000 2.012 897 L HA 0.273 4.611 4.340 -0.003 0.000 0.210 897 L C 3.509 180.379 176.870 0.000 0.000 1.073 897 L CA 3.012 57.852 54.840 0.000 0.000 0.748 897 L CB -1.926 nan 42.059 nan 0.000 0.891 897 L HN 0.943 nan 8.230 nan 0.000 0.431 898 L N -1.243 119.980 121.223 0.000 0.000 2.012 898 L HA -0.102 4.237 4.340 -0.003 0.000 0.210 898 L C 2.934 179.804 176.870 0.000 0.000 1.073 898 L CA 4.027 58.867 54.840 0.000 0.000 0.748 898 L CB -2.114 nan 42.059 nan 0.000 0.891 898 L HN 0.897 nan 8.230 nan 0.000 0.431 899 Q N -0.474 119.326 119.800 0.000 0.000 2.061 899 Q HA -0.223 4.116 4.340 -0.003 0.000 0.204 899 Q C 2.298 178.298 176.000 0.000 0.000 0.984 899 Q CA 3.666 59.469 55.803 0.000 0.000 0.846 899 Q CB -1.615 nan 28.738 nan 0.000 0.902 899 Q HN 1.127 nan 8.270 nan 0.000 0.421 900 E N 0.507 120.707 120.200 0.000 0.000 2.058 900 E HA -0.176 4.172 4.350 -0.003 0.000 0.194 900 E C 2.412 179.012 176.600 0.000 0.000 0.997 900 E CA 3.095 59.495 56.400 0.000 0.000 0.801 900 E CB -1.362 nan 29.700 nan 0.000 0.746 900 E HN 0.954 nan 8.360 nan 0.000 0.450 901 K N -0.054 120.346 120.400 0.000 0.000 2.032 901 K HA 0.179 4.497 4.320 -0.003 0.000 0.209 901 K C 2.831 179.431 176.600 0.000 0.000 1.048 901 K CA 2.786 59.073 56.287 0.000 0.000 0.927 901 K CB -1.864 nan 32.500 nan 0.000 0.712 901 K HN 1.157 nan 8.250 nan 0.000 0.441 902 L N 0.298 121.521 121.223 0.000 0.000 2.012 902 L HA -0.007 4.332 4.340 -0.003 0.000 0.210 902 L C 2.949 179.819 176.870 0.000 0.000 1.073 902 L CA 3.134 57.974 54.840 0.000 0.000 0.748 902 L CB -2.394 nan 42.059 nan 0.000 0.891 902 L HN 0.804 nan 8.230 nan 0.000 0.431 903 Q N -0.863 118.937 119.800 0.000 0.000 2.594 903 Q HA 0.369 4.708 4.340 -0.003 0.000 0.215 903 Q C 1.819 177.819 176.000 0.000 0.000 0.962 903 Q CA 2.020 57.823 55.803 0.000 0.000 1.003 903 Q CB -1.306 nan 28.738 nan 0.000 1.000 903 Q HN 1.501 nan 8.270 nan 0.000 0.571 904 A N -1.726 121.094 122.820 0.000 0.000 1.917 904 A HA 0.455 4.774 4.320 -0.003 0.000 0.200 904 A C 2.134 179.718 177.584 0.000 0.000 1.671 904 A CA 1.257 53.294 52.037 0.000 0.000 1.034 904 A CB -0.340 nan 19.000 nan 0.000 1.057 904 A HN 0.686 nan 8.150 nan 0.000 0.507 905 E N -0.160 120.040 120.200 0.000 0.000 2.058 905 E HA -0.159 4.189 4.350 -0.003 0.000 0.194 905 E C 2.169 178.769 176.600 0.000 0.000 0.997 905 E CA 3.008 59.408 56.400 0.000 0.000 0.801 905 E CB -2.083 nan 29.700 nan 0.000 0.746 905 E HN 0.845 nan 8.360 nan 0.000 0.450 906 T N 0.108 114.662 114.554 0.000 0.000 2.684 906 T HA -0.006 4.343 4.350 -0.003 0.000 0.267 906 T C 2.320 177.020 174.700 0.000 0.000 1.036 906 T CA 3.727 65.827 62.100 0.000 0.000 1.148 906 T CB -0.869 nan 68.868 nan 0.000 0.863 906 T HN 0.702 nan 8.240 nan 0.000 0.436 907 E N 0.761 120.961 120.200 0.000 0.000 2.058 907 E HA 0.165 4.514 4.350 -0.003 0.000 0.194 907 E C 2.734 179.334 176.600 0.000 0.000 0.997 907 E CA 2.534 58.934 56.400 0.000 0.000 0.801 907 E CB -1.631 nan 29.700 nan 0.000 0.746 907 E HN 1.055 nan 8.360 nan 0.000 0.450 908 L N -0.063 121.160 121.223 0.000 0.000 2.012 908 L HA 0.057 4.396 4.340 -0.003 0.000 0.210 908 L C 3.045 179.915 176.870 -0.000 0.000 1.073 908 L CA 3.601 58.441 54.840 0.000 0.000 0.748 908 L CB -2.341 nan 42.059 nan 0.000 0.891 908 L HN 0.937 nan 8.230 nan 0.000 0.431 909 Y N -1.341 118.959 120.300 -0.000 0.000 2.128 909 Y HA -0.011 4.537 4.550 -0.003 0.000 0.284 909 Y C 3.050 178.950 175.900 -0.000 0.000 1.154 909 Y CA 2.990 61.090 58.100 -0.000 0.000 1.149 909 Y CB -1.441 nan 38.460 nan 0.000 0.976 909 Y HN 0.723 nan 8.280 nan 0.000 0.505 910 A N 0.316 123.136 122.820 -0.000 0.000 1.883 910 A HA -0.048 4.270 4.320 -0.003 0.000 0.217 910 A C 2.200 179.784 177.584 -0.000 0.000 1.186 910 A CA 3.170 55.207 52.037 -0.000 0.000 0.624 910 A CB -1.465 nan 19.000 nan 0.000 0.822 910 A HN 1.038 nan 8.150 nan 0.000 0.444 911 E N -0.389 119.811 120.200 -0.000 0.000 2.058 911 E HA -0.048 4.300 4.350 -0.003 0.000 0.194 911 E C 2.357 178.957 176.600 -0.000 0.000 0.997 911 E CA 2.342 58.742 56.400 -0.000 0.000 0.801 911 E CB -1.286 nan 29.700 nan 0.000 0.746 911 E HN 1.094 nan 8.360 nan 0.000 0.450 912 A N 0.803 123.623 122.820 -0.000 0.000 1.883 912 A HA 0.020 4.338 4.320 -0.003 0.000 0.217 912 A C 2.570 180.154 177.584 -0.000 0.000 1.186 912 A CA 3.187 55.224 52.037 -0.000 0.000 0.624 912 A CB -1.103 nan 19.000 nan 0.000 0.822 912 A HN 0.789 nan 8.150 nan 0.000 0.444 913 E N -1.025 119.175 120.200 -0.000 0.000 2.058 913 E HA -0.193 4.156 4.350 -0.003 0.000 0.194 913 E C 2.064 178.664 176.600 -0.000 0.000 0.997 913 E CA 2.830 59.230 56.400 -0.000 0.000 0.801 913 E CB -1.535 nan 29.700 nan 0.000 0.746 913 E HN 0.941 nan 8.360 nan 0.000 0.450 914 E N -0.574 119.626 120.200 -0.000 0.000 2.058 914 E HA -0.072 4.277 4.350 -0.003 0.000 0.194 914 E C 2.577 179.177 176.600 -0.000 0.000 0.997 914 E CA 3.448 59.848 56.400 -0.000 0.000 0.801 914 E CB -1.341 nan 29.700 nan 0.000 0.746 914 E HN 1.067 nan 8.360 nan 0.000 0.450 915 M N 0.780 120.380 119.600 -0.000 0.000 2.080 915 M HA 0.065 4.543 4.480 -0.003 0.000 0.260 915 M C 2.817 179.117 176.300 -0.000 0.000 1.068 915 M CA 3.890 59.190 55.300 -0.000 0.000 1.109 915 M CB -2.074 nan 32.600 nan 0.000 1.342 915 M HN 0.822 nan 8.290 nan 0.000 0.405 916 R N 0.163 120.663 120.500 -0.000 0.000 2.083 916 R HA 0.165 4.503 4.340 -0.003 0.000 0.237 916 R C 2.700 179.000 176.300 -0.000 0.000 1.137 916 R CA 3.192 59.292 56.100 -0.000 0.000 0.951 916 R CB -2.243 nan 30.300 nan 0.000 0.851 916 R HN 1.443 nan 8.270 nan 0.000 0.434 917 V N 0.286 120.200 119.914 -0.000 0.000 2.287 917 V HA -0.166 3.953 4.120 -0.003 0.000 0.248 917 V C 2.821 178.915 176.094 -0.000 0.000 1.053 917 V CA 4.195 66.495 62.300 -0.000 0.000 1.027 917 V CB -1.469 nan 31.823 nan 0.000 0.646 917 V HN 0.752 nan 8.190 nan 0.000 0.447 918 R N -0.454 120.046 120.500 -0.000 0.000 2.083 918 R HA 0.034 4.373 4.340 -0.003 0.000 0.237 918 R C 2.569 178.869 176.300 -0.000 0.000 1.137 918 R CA 3.312 59.412 56.100 -0.000 0.000 0.951 918 R CB -1.912 nan 30.300 nan 0.000 0.851 918 R HN 1.513 nan 8.270 nan 0.000 0.434 919 L N 0.013 121.236 121.223 -0.000 0.000 2.012 919 L HA 0.266 4.605 4.340 -0.003 0.000 0.210 919 L C 3.076 179.946 176.870 -0.000 0.000 1.073 919 L CA 3.063 57.902 54.840 -0.000 0.000 0.748 919 L CB -1.838 nan 42.059 nan 0.000 0.891 919 L HN 0.796 nan 8.230 nan 0.000 0.431 920 A N -0.624 122.196 122.820 -0.000 0.000 1.883 920 A HA 0.029 4.348 4.320 -0.003 0.000 0.217 920 A C 2.848 180.432 177.584 -0.000 0.000 1.186 920 A CA 2.830 54.867 52.037 -0.000 0.000 0.624 920 A CB -1.119 nan 19.000 nan 0.000 0.822 920 A HN 1.435 nan 8.150 nan 0.000 0.444 921 A N -0.514 122.305 122.820 -0.000 0.000 1.883 921 A HA -0.039 4.279 4.320 -0.003 0.000 0.217 921 A C 2.420 180.003 177.584 -0.000 0.000 1.186 921 A CA 3.292 55.329 52.037 -0.000 0.000 0.624 921 A CB -1.088 nan 19.000 nan 0.000 0.822 921 A HN 0.787 nan 8.150 nan 0.000 0.444 922 K N -0.878 119.522 120.400 -0.000 0.000 2.032 922 K HA -0.150 4.169 4.320 -0.003 0.000 0.209 922 K C 2.426 179.026 176.600 -0.000 0.000 1.048 922 K CA 2.876 59.163 56.287 -0.000 0.000 0.927 922 K CB -1.637 nan 32.500 nan 0.000 0.712 922 K HN 0.817 nan 8.250 nan 0.000 0.441 923 K N -0.054 120.346 120.400 -0.000 0.000 2.032 923 K HA -0.147 4.171 4.320 -0.003 0.000 0.209 923 K C 2.765 179.365 176.600 -0.000 0.000 1.048 923 K CA 2.501 58.788 56.287 -0.000 0.000 0.927 923 K CB -1.711 nan 32.500 nan 0.000 0.712 923 K HN 0.851 nan 8.250 nan 0.000 0.441 924 Q N -0.395 119.405 119.800 -0.000 0.000 2.061 924 Q HA -0.151 4.188 4.340 -0.003 0.000 0.204 924 Q C 2.481 178.481 176.000 -0.000 0.000 0.984 924 Q CA 3.116 58.919 55.803 -0.000 0.000 0.846 924 Q CB -1.606 nan 28.738 nan 0.000 0.902 924 Q HN 0.951 nan 8.270 nan 0.000 0.421 925 E N 0.130 120.329 120.200 -0.000 0.000 2.058 925 E HA 0.052 4.400 4.350 -0.003 0.000 0.194 925 E C 2.542 179.141 176.600 -0.000 0.000 0.997 925 E CA 2.976 59.376 56.400 -0.000 0.000 0.801 925 E CB -1.582 nan 29.700 nan 0.000 0.746 925 E HN 1.363 nan 8.360 nan 0.000 0.450 926 L N 0.687 121.909 121.223 -0.000 0.000 2.012 926 L HA 0.107 4.445 4.340 -0.003 0.000 0.210 926 L C 2.886 179.755 176.870 -0.000 0.000 1.073 926 L CA 3.707 58.547 54.840 -0.000 0.000 0.748 926 L CB -2.138 nan 42.059 nan 0.000 0.891 926 L HN 0.749 nan 8.230 nan 0.000 0.431 927 E N 0.002 120.202 120.200 -0.000 0.000 2.058 927 E HA -0.216 4.133 4.350 -0.003 0.000 0.194 927 E C 2.268 178.868 176.600 -0.000 0.000 0.997 927 E CA 3.141 59.541 56.400 -0.000 0.000 0.801 927 E CB -1.397 nan 29.700 nan 0.000 0.746 927 E HN 1.046 nan 8.360 nan 0.000 0.450 928 E N -0.050 120.150 120.200 -0.000 0.000 2.058 928 E HA 0.012 4.360 4.350 -0.003 0.000 0.194 928 E C 2.534 179.133 176.600 -0.000 0.000 0.997 928 E CA 2.953 59.353 56.400 -0.000 0.000 0.801 928 E CB -1.533 nan 29.700 nan 0.000 0.746 928 E HN 1.299 nan 8.360 nan 0.000 0.450 929 I N 0.975 121.544 120.570 -0.000 0.000 2.163 929 I HA 0.137 4.306 4.170 -0.003 0.000 0.243 929 I C 3.303 179.420 176.117 -0.000 0.000 1.085 929 I CA 3.241 64.541 61.300 -0.000 0.000 1.347 929 I CB -1.737 nan 38.000 nan 0.000 1.044 929 I HN 0.793 nan 8.210 nan 0.000 0.408 930 L N 0.508 121.730 121.223 -0.000 0.000 2.012 930 L HA -0.184 4.155 4.340 -0.003 0.000 0.210 930 L C 2.913 179.782 176.870 -0.000 0.000 1.073 930 L CA 4.178 59.018 54.840 -0.000 0.000 0.748 930 L CB -2.849 nan 42.059 nan 0.000 0.891 930 L HN 1.045 nan 8.230 nan 0.000 0.431 931 H N -1.132 117.938 119.070 -0.000 0.000 2.319 931 H HA -0.005 4.549 4.556 -0.003 0.000 0.299 931 H C 2.507 177.835 175.328 -0.000 0.000 1.092 931 H CA 3.556 59.604 56.048 -0.000 0.000 1.302 931 H CB -1.009 nan 29.762 nan 0.000 1.373 931 H HN 0.861 nan 8.280 nan 0.000 0.497 932 E N -0.250 119.949 120.200 -0.000 0.000 2.058 932 E HA -0.098 4.250 4.350 -0.003 0.000 0.194 932 E C 2.800 179.400 176.600 -0.000 0.000 0.997 932 E CA 3.267 59.667 56.400 -0.000 0.000 0.801 932 E CB -1.406 nan 29.700 nan 0.000 0.746 932 E HN 1.103 nan 8.360 nan 0.000 0.450 933 M N 0.555 120.155 119.600 -0.001 0.000 2.080 933 M HA 0.087 4.566 4.480 -0.003 0.000 0.260 933 M C 2.558 178.858 176.300 -0.001 0.000 1.068 933 M CA 3.520 58.820 55.300 -0.001 0.000 1.109 933 M CB -2.014 nan 32.600 nan 0.000 1.342 933 M HN 0.834 nan 8.290 nan 0.000 0.405 934 E N 0.151 120.351 120.200 -0.001 0.000 2.058 934 E HA 0.057 4.405 4.350 -0.003 0.000 0.194 934 E C 2.483 179.082 176.600 -0.001 0.000 0.997 934 E CA 2.899 59.299 56.400 -0.001 0.000 0.801 934 E CB -1.447 nan 29.700 nan 0.000 0.746 934 E HN 1.256 nan 8.360 nan 0.000 0.450 935 A N 0.825 123.645 122.820 -0.001 0.000 1.883 935 A HA -0.007 4.312 4.320 -0.003 0.000 0.217 935 A C 2.752 180.335 177.584 -0.001 0.000 1.186 935 A CA 3.588 55.624 52.037 -0.001 0.000 0.624 935 A CB -1.041 nan 19.000 nan 0.000 0.822 935 A HN 0.779 nan 8.150 nan 0.000 0.444 936 R N -0.825 119.675 120.500 -0.001 0.000 2.083 936 R HA -0.019 4.319 4.340 -0.003 0.000 0.237 936 R C 2.565 178.865 176.300 -0.001 0.000 1.137 936 R CA 2.846 58.946 56.100 -0.001 0.000 0.951 936 R CB -2.165 nan 30.300 nan 0.000 0.851 936 R HN 1.209 nan 8.270 nan 0.000 0.434 937 I N 0.506 121.076 120.570 -0.001 0.000 2.163 937 I HA -0.039 4.129 4.170 -0.003 0.000 0.243 937 I C 2.754 178.871 176.117 -0.001 0.000 1.085 937 I CA 3.124 64.424 61.300 -0.001 0.000 1.347 937 I CB -1.843 nan 38.000 nan 0.000 1.044 937 I HN 0.732 nan 8.210 nan 0.000 0.408 938 E N 0.634 120.833 120.200 -0.001 0.000 2.058 938 E HA -0.242 4.106 4.350 -0.003 0.000 0.194 938 E C 2.246 178.845 176.600 -0.001 0.000 0.997 938 E CA 3.086 59.486 56.400 -0.001 0.000 0.801 938 E CB -1.539 nan 29.700 nan 0.000 0.746 938 E HN 1.127 nan 8.360 nan 0.000 0.450 939 E N 0.124 120.324 120.200 -0.001 0.000 2.058 939 E HA -0.130 4.218 4.350 -0.003 0.000 0.194 939 E C 2.330 178.929 176.600 -0.001 0.000 0.997 939 E CA 2.850 59.250 56.400 -0.001 0.000 0.801 939 E CB -1.418 nan 29.700 nan 0.000 0.746 939 E HN 0.913 nan 8.360 nan 0.000 0.450 940 E N 0.129 120.328 120.200 -0.001 0.000 2.058 940 E HA -0.129 4.220 4.350 -0.003 0.000 0.194 940 E C 2.331 178.930 176.600 -0.001 0.000 0.997 940 E CA 2.833 59.233 56.400 -0.001 0.000 0.801 940 E CB -1.419 nan 29.700 nan 0.000 0.746 940 E HN 0.911 nan 8.360 nan 0.000 0.450 941 E N 0.132 120.332 120.200 -0.001 0.000 2.058 941 E HA -0.137 4.211 4.350 -0.003 0.000 0.194 941 E C 2.333 178.933 176.600 -0.001 0.000 0.997 941 E CA 2.875 59.274 56.400 -0.001 0.000 0.801 941 E CB -1.429 nan 29.700 nan 0.000 0.746 941 E HN 0.912 nan 8.360 nan 0.000 0.450 942 E N 0.330 120.530 120.200 -0.001 0.000 2.058 942 E HA -0.021 4.328 4.350 -0.003 0.000 0.194 942 E C 2.044 178.643 176.600 -0.001 0.000 0.997 942 E CA 2.124 58.524 56.400 -0.001 0.000 0.801 942 E CB -1.405 nan 29.700 nan 0.000 0.746 942 E HN 0.997 nan 8.360 nan 0.000 0.450 943 R N 0.000 120.500 120.500 -0.001 0.000 2.786 943 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 943 R CA 0.000 56.100 56.100 -0.001 0.000 0.921 943 R CB 0.000 nan 30.300 nan 0.000 0.687 943 R HN 0.000 nan 8.270 nan 0.000 0.535