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 1br1_1_A 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 FAKRQQQLGS 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 4.797 4.340 0.003 0.000 0.276 3 Q C -0.032 175.909 176.000 -0.098 0.000 1.083 3 Q CA -0.648 55.105 55.803 -0.084 0.000 0.856 3 Q CB 1.245 29.923 28.738 -0.100 0.000 1.383 3 Q HN 0.486 nan 8.270 nan 0.000 0.458 4 K N 1.129 121.461 120.400 -0.114 0.000 2.370 4 K HA -0.037 4.285 4.320 0.003 0.000 0.263 4 K C -2.117 174.400 176.600 -0.138 0.000 0.983 4 K CA -0.202 56.011 56.287 -0.123 0.000 0.873 4 K CB -0.157 32.253 32.500 -0.151 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 -1.322 175.890 177.300 -0.146 0.000 1.291 5 P CA -0.477 62.554 63.100 -0.116 0.000 0.867 5 P CB 0.826 32.481 31.700 -0.075 0.000 1.074 6 L N 1.107 122.245 121.223 -0.142 0.000 2.296 6 L HA 0.456 4.798 4.340 0.003 0.000 0.286 6 L C 0.981 177.800 176.870 -0.085 0.000 1.023 6 L CA -0.863 53.890 54.840 -0.144 0.000 0.812 6 L CB 1.483 43.448 42.059 -0.156 0.000 1.223 6 L HN 0.399 nan 8.230 nan 0.000 0.421 7 S N 0.696 116.357 115.700 -0.064 0.000 2.568 7 S HA -0.020 4.452 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 -0.204 57.975 58.200 -0.035 0.000 1.045 7 S CB 0.635 63.830 63.200 -0.010 0.000 0.873 7 S HN 0.748 nan 8.310 nan 0.000 0.516 8 D N 2.863 123.235 120.400 -0.046 0.000 2.220 8 D HA -0.198 4.443 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 1.981 55.928 54.000 -0.089 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 0.455 120.848 120.400 -0.011 0.000 2.110 9 D HA -0.068 4.573 4.640 0.003 0.000 0.202 9 D C 1.838 178.210 176.300 0.119 0.000 0.975 9 D CA 0.840 54.894 54.000 0.090 0.000 0.839 9 D CB -0.536 40.343 40.800 0.131 0.000 0.996 9 D HN 0.294 nan 8.370 nan 0.000 0.464 10 E N 0.551 120.819 120.200 0.112 0.000 2.333 10 E HA -0.160 4.192 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 0.806 57.340 56.400 0.223 0.000 0.841 10 E CB -0.041 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 -0.478 119.940 120.400 0.030 0.000 2.555 11 K HA -0.045 4.276 4.320 0.003 0.000 0.193 11 K C 0.554 177.117 176.600 -0.062 0.000 1.032 11 K CA 0.336 56.591 56.287 -0.054 0.000 1.004 11 K CB 0.192 32.576 32.500 -0.192 0.000 0.804 11 K HN 0.087 nan 8.250 nan 0.000 0.496 12 F N -0.285 119.707 119.950 0.069 0.000 2.721 12 F HA 0.229 4.759 4.527 0.006 0.000 0.301 12 F C 1.207 177.015 175.800 0.014 0.000 1.096 12 F CA 0.166 58.186 58.000 0.034 0.000 1.308 12 F CB 0.471 39.483 39.000 0.020 0.000 1.086 12 F HN -0.107 nan 8.300 nan 0.000 0.587 13 L N -2.489 118.849 121.223 0.191 0.000 3.284 13 L HA 0.215 4.556 4.340 0.003 0.000 0.294 13 L C -0.812 175.970 176.870 -0.147 0.000 1.183 13 L CA 0.201 55.047 54.840 0.011 0.000 1.056 13 L CB 0.871 42.901 42.059 -0.049 0.000 1.513 13 L HN -0.259 nan 8.230 nan 0.000 0.601 14 F N 0.676 120.649 119.950 0.037 0.000 2.508 14 F HA 0.459 4.989 4.527 0.006 0.000 0.325 14 F C 0.287 176.072 175.800 -0.026 0.000 1.090 14 F CA -1.217 56.779 58.000 -0.006 0.000 0.945 14 F CB 1.720 40.701 39.000 -0.030 0.000 1.156 14 F HN -0.377 nan 8.300 nan 0.000 0.463 15 V N 0.347 120.386 119.914 0.207 0.000 2.546 15 V HA 0.333 4.455 4.120 0.003 0.000 0.284 15 V C -0.516 175.573 176.094 -0.009 0.000 1.050 15 V CA -0.940 61.403 62.300 0.072 0.000 0.981 15 V CB 0.783 32.635 31.823 0.049 0.000 0.990 15 V HN 0.491 nan 8.190 nan 0.000 0.474 16 D N 4.050 124.394 120.400 -0.094 0.000 2.352 16 D HA 0.285 4.926 4.640 0.003 0.000 0.245 16 D C 0.487 176.527 176.300 -0.433 0.000 1.224 16 D CA 0.121 53.957 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 1.160 121.316 120.400 -0.405 0.000 2.412 17 K HA 0.073 4.394 4.320 0.003 0.000 0.202 17 K C 0.029 176.400 176.600 -0.380 0.000 1.102 17 K CA -0.289 55.794 56.287 -0.339 0.000 1.027 17 K CB 0.521 32.925 32.500 -0.160 0.000 0.931 17 K HN 0.057 nan 8.250 nan 0.000 0.557 18 N N 1.346 119.782 118.700 -0.441 0.000 2.508 18 N HA 0.132 4.874 4.740 0.003 0.000 0.253 18 N C -1.321 174.132 175.510 -0.096 0.000 1.145 18 N CA 0.491 53.405 53.050 -0.228 0.000 0.973 18 N CB 0.035 38.436 38.487 -0.144 0.000 1.305 18 N HN -0.077 nan 8.380 nan 0.000 0.506 19 F N -0.536 119.402 119.950 -0.020 0.000 2.869 19 F HA 0.417 4.946 4.527 0.003 0.000 0.325 19 F C 0.031 175.820 175.800 -0.018 0.000 1.184 19 F CA -1.110 56.880 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 -0.175 nan 8.300 nan 0.000 0.501 20 V N 2.548 122.578 119.914 0.193 0.000 2.686 20 V HA 0.288 4.410 4.120 0.003 0.000 0.295 20 V C 0.052 176.188 176.094 0.070 0.000 1.057 20 V CA -0.712 61.636 62.300 0.080 0.000 1.012 20 V CB 1.202 33.039 31.823 0.022 0.000 1.006 20 V HN 0.696 nan 8.190 nan 0.000 0.477 21 N N 4.832 123.553 118.700 0.036 0.000 3.210 21 N HA -0.020 4.722 4.740 0.003 0.000 0.314 21 N C 0.109 175.624 175.510 0.007 0.000 1.291 21 N CA -0.043 53.017 53.050 0.017 0.000 1.202 21 N CB -0.898 37.587 38.487 -0.003 0.000 1.475 21 N HN 0.857 nan 8.380 nan 0.000 0.554 22 N N 0.868 119.577 118.700 0.016 0.000 2.359 22 N HA -0.021 4.721 4.740 0.003 0.000 0.261 22 N C -1.820 173.693 175.510 0.005 0.000 1.267 22 N CA -0.825 52.229 53.050 0.007 0.000 0.864 22 N CB 0.691 39.182 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 63.102 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 -0.188 121.053 121.223 0.030 0.000 1.994 24 L HA -0.150 4.192 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 2.333 57.197 54.840 0.040 0.000 0.745 24 L CB -1.460 40.615 42.059 0.026 0.000 0.892 24 L HN 0.046 nan 8.230 nan 0.000 0.431 25 A N -1.028 121.826 122.820 0.057 0.000 1.897 25 A HA -0.199 4.122 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 53.042 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 0.422 nan 8.150 nan 0.000 0.443 26 Q N -0.501 119.324 119.800 0.041 0.000 2.500 26 Q HA -0.014 4.328 4.340 0.003 0.000 0.213 26 Q C 1.674 177.701 176.000 0.046 0.000 0.974 26 Q CA 1.125 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 -0.230 122.712 122.820 0.204 0.000 2.013 27 A HA -0.023 4.299 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 0.548 52.795 52.037 0.350 0.000 0.800 27 A CB -0.124 18.976 19.000 0.167 0.000 0.909 27 A HN 0.289 nan 8.150 nan 0.000 0.472 28 D N 0.235 120.774 120.400 0.231 0.000 2.311 28 D HA -0.184 4.458 4.640 0.003 0.000 0.212 28 D C 1.738 178.116 176.300 0.130 0.000 0.972 28 D CA 1.379 55.455 54.000 0.127 0.000 0.887 28 D CB -0.295 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 0.944 122.239 121.300 -0.008 0.000 2.359 29 W HA -0.144 4.517 4.660 0.002 0.000 0.275 29 W C 1.496 178.010 176.519 -0.010 0.000 1.217 29 W CA 0.816 58.157 57.345 -0.007 0.000 1.196 29 W CB -1.462 27.998 29.460 -0.001 0.000 1.129 29 W HN -0.098 nan 8.180 nan 0.000 0.566 30 S N 1.693 116.967 115.700 -0.710 0.000 2.400 30 S HA -0.032 4.440 4.470 0.003 0.000 0.232 30 S C 1.896 176.268 174.600 -0.381 0.000 1.025 30 S CA 1.608 59.340 58.200 -0.779 0.000 0.993 30 S CB -0.698 62.199 63.200 -0.506 0.000 0.808 30 S HN 0.378 nan 8.310 nan 0.000 0.478 31 A N 1.494 124.185 122.820 -0.214 0.000 2.233 31 A HA 0.095 4.417 4.320 0.003 0.000 0.230 31 A C 1.483 178.995 177.584 -0.119 0.000 1.347 31 A CA 0.091 52.047 52.037 -0.134 0.000 1.087 31 A CB -0.598 18.352 19.000 -0.084 0.000 0.871 31 A HN 0.420 nan 8.150 nan 0.000 0.519 32 K N 0.223 120.524 120.400 -0.164 0.000 2.227 32 K HA -0.226 4.096 4.320 0.003 0.000 0.208 32 K C 0.969 177.528 176.600 -0.068 0.000 1.045 32 K CA 1.536 57.760 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 1.074 121.425 120.400 -0.080 0.000 2.633 33 K HA -0.007 4.314 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 0.403 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 1.319 122.490 121.223 -0.086 0.000 2.410 34 L HA 0.022 4.363 4.340 0.003 0.000 0.273 34 L C 0.458 177.229 176.870 -0.165 0.000 1.144 34 L CA -0.264 54.495 54.840 -0.136 0.000 0.863 34 L CB 0.477 42.453 42.059 -0.139 0.000 1.140 34 L HN -0.106 nan 8.230 nan 0.000 0.463 35 V N 0.400 120.184 119.914 -0.218 0.000 3.076 35 V HA 0.593 4.715 4.120 0.003 0.000 0.311 35 V C -1.443 174.451 176.094 -0.333 0.000 1.346 35 V CA -1.079 61.106 62.300 -0.192 0.000 1.056 35 V CB 1.760 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 -0.267 121.026 121.300 -0.012 0.000 2.627 36 W HA 0.859 5.522 4.660 0.006 0.000 0.339 36 W C -0.681 175.892 176.519 0.090 0.000 1.058 36 W CA -0.385 56.962 57.345 0.003 0.000 1.223 36 W CB 2.185 31.572 29.460 -0.123 0.000 1.389 36 W HN 0.751 nan 8.180 nan 0.000 0.541 37 V N 0.047 120.247 119.914 0.478 0.000 3.204 37 V HA 0.499 4.621 4.120 0.003 0.000 0.298 37 V C -2.531 173.799 176.094 0.392 0.000 1.328 37 V CA -2.901 59.631 62.300 0.387 0.000 1.035 37 V CB 1.174 33.115 31.823 0.197 0.000 1.095 37 V HN 0.305 nan 8.190 nan 0.000 0.442 38 P HA 0.048 nan 4.420 nan 0.000 0.274 38 P C -0.110 177.215 177.300 0.042 0.000 1.209 38 P CA 0.731 63.867 63.100 0.059 0.000 0.790 38 P CB 0.272 32.002 31.700 0.051 0.000 0.834 39 S N -0.085 115.607 115.700 -0.013 0.000 2.388 39 S HA 0.069 4.541 4.470 0.003 0.000 0.279 39 S C 0.194 174.841 174.600 0.079 0.000 0.987 39 S CA -0.531 57.678 58.200 0.015 0.000 0.993 39 S CB -0.014 63.211 63.200 0.043 0.000 1.207 39 S HN 0.405 nan 8.310 nan 0.000 0.425 40 E N 2.227 122.462 120.200 0.058 0.000 2.520 40 E HA 0.086 4.438 4.350 0.003 0.000 0.201 40 E C 0.942 177.623 176.600 0.135 0.000 1.122 40 E CA 0.333 56.788 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 -1.305 119.175 120.400 0.134 0.000 2.589 41 K HA 0.072 4.394 4.320 0.003 0.000 0.218 41 K C 0.174 177.040 176.600 0.445 0.000 1.468 41 K CA 0.240 56.650 56.287 0.204 0.000 1.002 41 K CB 0.761 33.333 32.500 0.121 0.000 1.200 41 K HN 0.063 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 4.825 4.556 0.003 0.000 0.260 42 H C 1.186 176.442 175.328 -0.120 0.000 1.189 42 H CA 0.530 56.585 56.048 0.011 0.000 1.145 42 H CB 1.222 31.046 29.762 0.103 0.000 1.599 42 H HN 0.327 nan 8.280 nan 0.000 0.615 43 G N 0.503 109.158 108.800 -0.242 0.000 2.855 43 G HA2 -0.328 3.634 3.960 0.003 0.000 0.231 43 G HA3 -0.328 3.634 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 1.043 45.693 45.100 -0.750 0.000 0.789 43 G HN 0.291 nan 8.290 nan 0.000 0.517 44 F N 0.430 120.433 119.950 0.089 0.000 2.713 44 F HA 0.649 5.177 4.527 0.001 0.000 0.311 44 F C -0.219 175.783 175.800 0.337 0.000 1.141 44 F CA -0.276 57.840 58.000 0.193 0.000 0.939 44 F CB 1.981 41.049 39.000 0.113 0.000 1.325 44 F HN 0.544 nan 8.300 nan 0.000 0.453 45 E N 0.772 121.339 120.200 0.612 0.000 2.407 45 E HA 0.782 5.133 4.350 0.003 0.000 0.279 45 E C -1.859 174.856 176.600 0.191 0.000 1.012 45 E CA -1.305 55.358 56.400 0.439 0.000 0.800 45 E CB 1.867 31.715 29.700 0.247 0.000 1.276 45 E HN 0.809 nan 8.360 nan 0.000 0.452 46 A N 1.378 124.158 122.820 -0.066 0.000 2.425 46 A HA 0.711 5.033 4.320 0.003 0.000 0.249 46 A C -0.025 177.457 177.584 -0.169 0.000 1.084 46 A CA 0.498 52.325 52.037 -0.349 0.000 0.781 46 A CB 0.191 18.979 19.000 -0.352 0.000 1.019 46 A HN 1.149 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 0.707 5.029 4.320 0.003 0.000 0.291 47 A C -0.531 176.983 177.584 -0.117 0.000 1.062 47 A CA 0.100 52.072 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 1.641 nan 8.150 nan 0.000 0.421 48 S N 0.194 115.847 115.700 -0.078 0.000 2.557 48 S HA 0.634 5.106 4.470 0.003 0.000 0.291 48 S C -0.314 174.256 174.600 -0.049 0.000 1.116 48 S CA -0.563 57.594 58.200 -0.072 0.000 0.992 48 S CB 0.339 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 4.678 125.221 120.570 -0.045 0.000 2.919 49 I HA -0.006 4.165 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 0.238 61.519 61.300 -0.031 0.000 1.444 49 I CB 0.418 38.401 38.000 -0.028 0.000 1.331 49 I HN 0.588 nan 8.210 nan 0.000 0.572 50 K N 3.858 124.244 120.400 -0.025 0.000 2.367 50 K HA 0.306 4.628 4.320 0.003 0.000 0.198 50 K C -0.022 176.565 176.600 -0.021 0.000 1.132 50 K CA 0.556 56.828 56.287 -0.024 0.000 0.941 50 K CB 0.589 33.077 32.500 -0.020 0.000 1.052 50 K HN 0.604 nan 8.250 nan 0.000 0.507 51 E N 0.981 121.172 120.200 -0.016 0.000 2.415 51 E HA 0.099 4.450 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 1.477 31.170 29.700 -0.011 0.000 1.315 51 E HN -0.033 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 4.463 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 56.373 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 4.626 4.320 0.003 0.000 0.196 53 K C 0.598 177.199 176.600 0.002 0.000 1.048 53 K CA -0.333 55.954 56.287 0.000 0.000 1.017 53 K CB 1.063 33.563 32.500 0.000 0.000 1.413 53 K HN 0.699 nan 8.250 nan 0.000 0.568 54 G N 3.042 111.843 108.800 0.002 0.000 2.582 54 G HA2 -0.437 3.525 3.960 0.003 0.000 0.288 54 G HA3 -0.437 3.525 3.960 0.003 0.000 0.288 54 G C 0.676 175.579 174.900 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 1.020 121.424 120.400 0.007 0.000 2.357 55 D HA 0.082 4.724 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 1.902 55.907 54.000 0.009 0.000 0.912 55 D CB 0.050 40.856 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 5.020 4.350 0.003 0.000 0.266 56 E C -1.235 175.370 176.600 0.010 0.000 0.920 56 E CA -1.008 55.399 56.400 0.012 0.000 0.788 56 E CB 2.704 32.410 29.700 0.010 0.000 1.279 56 E HN -0.208 nan 8.360 nan 0.000 0.438 57 V N 0.538 120.459 119.914 0.011 0.000 2.969 57 V HA 0.424 4.545 4.120 0.003 0.000 0.304 57 V C -0.686 175.412 176.094 0.006 0.000 1.192 57 V CA -1.103 61.201 62.300 0.007 0.000 0.962 57 V CB 2.081 33.909 31.823 0.008 0.000 1.045 57 V HN 0.862 nan 8.190 nan 0.000 0.428 58 T N 1.334 115.888 114.554 0.001 0.000 2.856 58 T HA 0.810 5.162 4.350 0.003 0.000 0.292 58 T C -0.650 174.047 174.700 -0.005 0.000 0.980 58 T CA -0.423 61.677 62.100 -0.001 0.000 1.091 58 T CB 1.363 70.228 68.868 -0.005 0.000 0.936 58 T HN 0.539 nan 8.240 nan 0.000 0.503 59 V N 2.595 122.507 119.914 -0.004 0.000 3.087 59 V HA 0.582 4.704 4.120 0.003 0.000 0.306 59 V C -0.659 175.428 176.094 -0.012 0.000 1.187 59 V CA -1.080 61.213 62.300 -0.010 0.000 0.999 59 V CB 2.189 34.008 31.823 -0.006 0.000 1.049 59 V HN 1.079 nan 8.190 nan 0.000 0.431 60 E N 2.729 122.917 120.200 -0.020 0.000 2.176 60 E HA 0.571 4.923 4.350 0.003 0.000 0.267 60 E C -0.982 175.603 176.600 -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 31.105 29.700 -0.021 0.000 1.133 60 E HN 0.653 nan 8.360 nan 0.000 0.409 61 L N 4.720 125.931 121.223 -0.019 0.000 2.615 61 L HA -0.011 4.331 4.340 0.003 0.000 0.271 61 L C 1.239 178.093 176.870 -0.028 0.000 1.183 61 L CA 0.182 55.009 54.840 -0.022 0.000 0.933 61 L CB -0.033 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 1.518 121.291 119.800 -0.044 0.000 2.408 62 Q HA -0.121 4.220 4.340 0.003 0.000 0.214 62 Q C 0.826 176.813 176.000 -0.021 0.000 0.957 62 Q CA 0.829 56.606 55.803 -0.043 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 0.496 120.691 120.200 -0.009 0.000 2.949 63 E HA 0.002 4.353 4.350 0.003 0.000 0.182 63 E C 0.873 177.477 176.600 0.007 0.000 1.154 63 E CA 0.644 57.051 56.400 0.012 0.000 1.205 63 E CB -0.749 28.968 29.700 0.029 0.000 1.865 63 E HN 0.317 nan 8.360 nan 0.000 0.516 64 N N -0.114 118.585 118.700 -0.001 0.000 2.521 64 N HA -0.035 4.707 4.740 0.003 0.000 0.188 64 N C 0.599 176.106 175.510 -0.005 0.000 1.146 64 N CA 0.867 53.915 53.050 -0.004 0.000 0.893 64 N CB -0.035 38.446 38.487 -0.011 0.000 0.975 64 N HN 0.452 nan 8.380 nan 0.000 0.451 65 G N 1.187 109.983 108.800 -0.007 0.000 2.205 65 G HA2 -0.305 3.657 3.960 0.003 0.000 0.269 65 G HA3 -0.305 3.657 3.960 0.003 0.000 0.269 65 G C 0.348 175.241 174.900 -0.010 0.000 0.977 65 G CA 0.424 45.518 45.100 -0.009 0.000 0.652 65 G HN 0.318 nan 8.290 nan 0.000 0.539 66 K N 0.523 120.917 120.400 -0.010 0.000 2.276 66 K HA 0.366 4.688 4.320 0.003 0.000 0.259 66 K C 0.148 176.742 176.600 -0.010 0.000 1.001 66 K CA 0.057 56.338 56.287 -0.009 0.000 0.927 66 K CB 0.607 33.102 32.500 -0.009 0.000 0.969 66 K HN 0.252 nan 8.250 nan 0.000 0.490 67 K N 1.996 122.391 120.400 -0.008 0.000 2.507 67 K HA 0.313 4.635 4.320 0.003 0.000 0.253 67 K C -1.471 175.127 176.600 -0.004 0.000 0.969 67 K CA -0.524 55.758 56.287 -0.008 0.000 0.908 67 K CB 1.111 33.605 32.500 -0.009 0.000 1.127 67 K HN 0.199 nan 8.250 nan 0.000 0.437 68 V N 2.038 121.951 119.914 -0.002 0.000 2.876 68 V HA 0.469 4.590 4.120 0.003 0.000 0.312 68 V C -0.418 175.679 176.094 0.005 0.000 1.085 68 V CA -0.909 61.392 62.300 0.002 0.000 0.945 68 V CB 2.276 34.102 31.823 0.005 0.000 1.017 68 V HN 0.672 nan 8.190 nan 0.000 0.428 69 T N 5.334 119.892 114.554 0.007 0.000 2.779 69 T HA 0.748 5.099 4.350 0.003 0.000 0.280 69 T C -0.479 174.229 174.700 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 1.026 122.262 121.223 0.021 0.000 2.279 70 L HA 0.570 4.912 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 1.837 43.921 42.059 0.042 0.000 1.358 70 L HN 0.501 nan 8.230 nan 0.000 0.432 71 S N 0.382 116.101 115.700 0.030 0.000 2.558 71 S HA -0.056 4.415 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 -0.049 58.167 58.200 0.028 0.000 1.048 71 S CB 0.294 63.512 63.200 0.029 0.000 0.844 71 S HN 0.532 nan 8.310 nan 0.000 0.512 72 K N 2.292 122.708 120.400 0.025 0.000 2.743 72 K HA -0.036 4.286 4.320 0.003 0.000 0.219 72 K C -0.328 176.291 176.600 0.031 0.000 1.003 72 K CA 0.672 56.974 56.287 0.025 0.000 1.156 72 K CB -0.589 31.921 32.500 0.017 0.000 0.932 72 K HN 0.682 nan 8.250 nan 0.000 0.490 73 D N -1.563 118.861 120.400 0.039 0.000 2.523 73 D HA 0.015 4.656 4.640 0.003 0.000 0.269 73 D C -0.283 176.055 176.300 0.063 0.000 1.374 73 D CA -0.249 53.778 54.000 0.044 0.000 0.820 73 D CB 0.286 41.108 40.800 0.036 0.000 1.211 73 D HN 0.055 nan 8.370 nan 0.000 0.502 74 D N 1.239 121.683 120.400 0.074 0.000 2.433 74 D HA 0.202 4.843 4.640 0.003 0.000 0.211 74 D C 0.822 177.205 176.300 0.139 0.000 1.114 74 D CA -0.089 53.975 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 -1.725 118.910 120.570 0.109 0.000 2.577 75 I HA 0.519 4.691 4.170 0.003 0.000 0.305 75 I C -0.630 175.555 176.117 0.114 0.000 0.986 75 I CA -0.793 60.579 61.300 0.120 0.000 1.189 75 I CB 1.438 39.485 38.000 0.078 0.000 1.355 75 I HN -0.343 nan 8.210 nan 0.000 0.476 76 Q N 3.366 123.257 119.800 0.151 0.000 2.304 76 Q HA 0.393 4.735 4.340 0.003 0.000 0.270 76 Q C -1.348 174.787 176.000 0.226 0.000 1.035 76 Q CA -1.250 54.630 55.803 0.128 0.000 0.781 76 Q CB 2.440 31.181 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 4.337 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 57.089 56.287 0.163 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 4.659 4.480 0.003 0.000 0.339 78 M C -0.460 176.010 176.300 0.283 0.000 1.177 78 M CA -0.269 55.233 55.300 0.337 0.000 1.068 78 M CB 1.224 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 2.755 121.670 118.700 0.359 0.000 2.509 79 N HA 0.463 5.205 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 -1.279 51.965 53.050 0.325 0.000 0.977 79 N CB 1.006 39.625 38.487 0.221 0.000 1.167 79 N HN 0.366 nan 8.380 nan 0.000 0.476 80 P HA 0.041 nan 4.420 nan 0.000 0.269 80 P C -2.121 175.309 177.300 0.218 0.000 1.217 80 P CA -0.927 62.324 63.100 0.251 0.000 0.783 80 P CB 0.012 31.792 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 1.368 64.532 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 -0.631 119.719 120.400 -0.084 0.000 2.555 82 K HA -0.039 4.283 4.320 0.003 0.000 0.193 82 K C 0.365 176.783 176.600 -0.303 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 0.691 120.681 119.950 0.067 0.000 2.682 83 F HA 0.285 4.814 4.527 0.004 0.000 0.308 83 F C 0.690 176.536 175.800 0.076 0.000 1.093 83 F CA -0.615 57.426 58.000 0.069 0.000 1.244 83 F CB 0.335 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 1.161 116.999 115.700 0.230 0.000 2.575 84 S HA 0.024 4.496 4.470 0.003 0.000 0.295 84 S C 0.782 175.455 174.600 0.123 0.000 1.267 84 S CA 0.269 58.573 58.200 0.175 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 0.867 121.319 120.400 0.088 0.000 3.096 85 K HA -0.145 4.177 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 0.207 56.526 56.287 0.053 0.000 0.758 85 K CB -1.612 30.917 32.500 0.048 0.000 1.260 85 K HN 0.420 nan 8.250 nan 0.000 0.481 86 V N 0.862 120.828 119.914 0.086 0.000 3.178 86 V HA -0.086 4.036 4.120 0.003 0.000 0.306 86 V C 1.590 177.701 176.094 0.029 0.000 1.107 86 V CA 0.495 62.850 62.300 0.092 0.000 1.195 86 V CB 1.078 32.977 31.823 0.127 0.000 0.993 86 V HN 0.365 nan 8.190 nan 0.000 0.493 87 E N 1.799 122.013 120.200 0.023 0.000 2.140 87 E HA 0.053 4.405 4.350 0.003 0.000 0.191 87 E C 0.158 176.738 176.600 -0.033 0.000 0.973 87 E CA 0.525 56.898 56.400 -0.046 0.000 0.829 87 E CB 0.127 29.799 29.700 -0.046 0.000 0.781 87 E HN 0.728 nan 8.360 nan 0.000 0.466 88 D N 0.580 121.006 120.400 0.042 0.000 2.408 88 D HA 0.105 4.747 4.640 0.003 0.000 0.261 88 D C 1.299 177.609 176.300 0.016 0.000 1.190 88 D CA -0.187 53.858 54.000 0.075 0.000 0.910 88 D CB 0.459 41.343 40.800 0.139 0.000 1.097 88 D HN -0.222 nan 8.370 nan 0.000 0.522 89 M N 1.645 121.229 119.600 -0.027 0.000 2.164 89 M HA -0.242 4.239 4.480 0.003 0.000 0.251 89 M C 1.746 178.000 176.300 -0.076 0.000 1.087 89 M CA 1.398 56.656 55.300 -0.070 0.000 1.071 89 M CB -1.494 31.057 32.600 -0.083 0.000 1.347 89 M HN 0.453 nan 8.290 nan 0.000 0.399 90 A N -0.441 122.352 122.820 -0.045 0.000 2.277 90 A HA -0.105 4.216 4.320 0.003 0.000 0.208 90 A C 1.948 179.519 177.584 -0.021 0.000 1.202 90 A CA 1.455 53.476 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 0.628 nan 8.150 nan 0.000 0.487 91 E N -0.852 119.325 120.200 -0.039 0.000 2.152 91 E HA 0.213 4.565 4.350 0.003 0.000 0.195 91 E C -0.190 176.297 176.600 -0.188 0.000 0.934 91 E CA -0.338 56.058 56.400 -0.008 0.000 0.869 91 E CB -0.077 29.683 29.700 0.099 0.000 0.842 91 E HN 0.563 nan 8.360 nan 0.000 0.472 92 L N 2.394 123.308 121.223 -0.515 0.000 2.678 92 L HA -0.096 4.246 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 0.434 54.505 54.840 -1.281 0.000 0.920 92 L CB 0.037 41.606 42.059 -0.817 0.000 1.176 92 L HN 0.217 nan 8.230 nan 0.000 0.495 93 T N -1.211 112.988 114.554 -0.592 0.000 3.155 93 T HA 0.016 4.368 4.350 0.003 0.000 0.264 93 T C 0.442 175.099 174.700 -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 0.166 0.000 0.921 93 T HN 0.557 nan 8.240 nan 0.000 0.533 94 C N 1.387 120.596 119.300 -0.151 0.000 2.522 94 C HA 0.573 5.034 4.460 0.003 0.000 0.344 94 C C -0.221 174.705 174.990 -0.107 0.000 1.104 94 C CA -1.425 57.550 59.018 -0.071 0.000 1.317 94 C CB 0.322 28.059 27.740 -0.004 0.000 1.896 94 C HN 0.511 nan 8.230 nan 0.000 0.443 95 L N 4.347 125.525 121.223 -0.075 0.000 2.275 95 L HA 0.501 4.843 4.340 0.003 0.000 0.288 95 L C -0.334 176.484 176.870 -0.086 0.000 1.046 95 L CA 0.517 55.311 54.840 -0.076 0.000 0.805 95 L CB 0.790 42.831 42.059 -0.029 0.000 1.193 95 L HN 0.747 nan 8.230 nan 0.000 0.426 96 N N 0.588 119.204 118.700 -0.139 0.000 2.591 96 N HA 0.118 4.860 4.740 0.003 0.000 0.263 96 N C -0.113 175.256 175.510 -0.234 0.000 1.308 96 N CA -0.761 52.170 53.050 -0.199 0.000 0.837 96 N CB 1.450 39.752 38.487 -0.309 0.000 1.548 96 N HN 0.476 nan 8.380 nan 0.000 0.493 97 E N 0.402 120.462 120.200 -0.233 0.000 2.338 97 E HA -0.068 4.284 4.350 0.003 0.000 0.197 97 E C 1.017 177.417 176.600 -0.334 0.000 1.007 97 E CA 0.936 57.243 56.400 -0.153 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 0.447 122.804 122.820 -0.772 0.000 1.850 98 A HA -0.082 4.239 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 1.258 52.591 52.037 -1.174 0.000 0.609 98 A CB -0.502 17.491 19.000 -1.678 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 4.300 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 1.495 59.417 58.200 -0.463 0.000 1.031 99 S CB -1.111 61.929 63.200 -0.265 0.000 0.928 99 S HN 0.260 nan 8.310 nan 0.000 0.433 100 V N 2.617 122.406 119.914 -0.208 0.000 2.363 100 V HA -0.229 3.892 4.120 0.003 0.000 0.254 100 V C 2.350 178.375 176.094 -0.115 0.000 1.074 100 V CA 2.064 64.286 62.300 -0.132 0.000 1.069 100 V CB -0.986 30.774 31.823 -0.104 0.000 0.659 100 V HN 0.465 nan 8.190 nan 0.000 0.455 101 L N -0.550 120.589 121.223 -0.140 0.000 2.007 101 L HA -0.129 4.213 4.340 0.003 0.000 0.205 101 L C 2.395 179.230 176.870 -0.059 0.000 1.073 101 L CA 2.390 57.175 54.840 -0.092 0.000 0.744 101 L CB -1.253 40.773 42.059 -0.055 0.000 0.898 101 L HN 0.428 nan 8.230 nan 0.000 0.435 102 H N -0.221 118.713 119.070 -0.226 0.000 2.261 102 H HA -0.316 4.242 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 2.350 58.315 56.048 -0.138 0.000 1.196 102 H CB -0.132 29.494 29.762 -0.227 0.000 1.350 102 H HN 0.518 nan 8.280 nan 0.000 0.498 103 N N 0.079 118.746 118.700 -0.056 0.000 2.064 103 N HA -0.217 4.525 4.740 0.003 0.000 0.200 103 N C 2.309 177.768 175.510 -0.086 0.000 1.028 103 N CA 2.035 55.038 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 -0.198 120.973 121.223 -0.086 0.000 2.043 104 L HA -0.221 4.121 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 1.375 56.154 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 0.137 120.579 120.500 -0.097 0.000 2.080 105 R HA -0.201 4.141 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 1.625 57.679 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 0.436 120.617 120.200 -0.031 0.000 1.997 106 E HA -0.196 4.156 4.350 0.003 0.000 0.201 106 E C 1.957 178.595 176.600 0.062 0.000 1.011 106 E CA 1.882 58.301 56.400 0.032 0.000 0.847 106 E CB -0.359 29.299 29.700 -0.070 0.000 0.787 106 E HN 0.323 nan 8.360 nan 0.000 0.472 107 R N -0.273 120.242 120.500 0.026 0.000 2.165 107 R HA -0.274 4.068 4.340 0.003 0.000 0.254 107 R C 2.449 178.789 176.300 0.066 0.000 1.153 107 R CA 1.842 57.968 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 1.166 121.387 120.300 -0.132 0.000 2.097 108 Y HA -0.221 4.332 4.550 0.005 0.000 0.282 108 Y C 2.049 177.858 175.900 -0.152 0.000 1.152 108 Y CA 1.243 59.204 58.100 -0.231 0.000 1.136 108 Y CB -0.552 37.632 38.460 -0.460 0.000 0.975 108 Y HN -0.120 nan 8.280 nan 0.000 0.498 109 F N -0.220 119.648 119.950 -0.138 0.000 2.325 109 F HA -0.099 4.432 4.527 0.007 0.000 0.299 109 F C 2.579 178.327 175.800 -0.087 0.000 1.090 109 F CA 1.414 59.291 58.000 -0.205 0.000 1.392 109 F CB -0.936 38.021 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 4.641 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 0.582 nan 8.310 nan 0.000 0.520 111 G N 0.418 109.336 108.800 0.196 0.000 2.205 111 G HA2 -0.158 3.803 3.960 0.003 0.000 0.180 111 G HA3 -0.158 3.803 3.960 0.003 0.000 0.180 111 G C -0.247 174.788 174.900 0.225 0.000 1.004 111 G CA -0.407 44.910 45.100 0.362 0.000 0.670 111 G HN 0.395 nan 8.290 nan 0.000 0.496 112 L N 1.691 123.007 121.223 0.155 0.000 2.295 112 L HA 0.725 5.067 4.340 0.003 0.000 0.285 112 L C 1.730 178.653 176.870 0.089 0.000 1.035 112 L CA -1.061 53.849 54.840 0.116 0.000 0.806 112 L CB 1.118 43.231 42.059 0.091 0.000 1.214 112 L HN 0.188 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 0.173 4.344 4.170 0.003 0.000 0.288 113 I C 0.069 176.109 176.117 -0.128 0.000 1.198 113 I CA 0.109 61.392 61.300 -0.028 0.000 1.417 113 I CB 0.076 37.998 38.000 -0.131 0.000 1.205 113 I HN 0.318 nan 8.210 nan 0.000 0.448 114 Y N 3.671 123.901 120.300 -0.117 0.000 2.442 114 Y HA 0.414 4.965 4.550 0.002 0.000 0.330 114 Y C 0.147 175.959 175.900 -0.147 0.000 1.129 114 Y CA 0.171 58.191 58.100 -0.133 0.000 1.365 114 Y CB 0.720 39.074 38.460 -0.177 0.000 1.233 114 Y HN 0.064 nan 8.280 nan 0.000 0.529 115 T N 2.773 117.333 114.554 0.009 0.000 2.933 115 T HA 0.356 4.708 4.350 0.003 0.000 0.305 115 T C -1.372 173.364 174.700 0.060 0.000 1.092 115 T CA -0.918 61.147 62.100 -0.059 0.000 1.008 115 T CB 0.858 69.689 68.868 -0.061 0.000 1.102 115 T HN 0.145 nan 8.240 nan 0.000 0.469 116 Y N 1.822 122.087 120.300 -0.059 0.000 2.301 116 Y HA 0.542 5.092 4.550 0.000 0.000 0.325 116 Y C 0.963 176.742 175.900 -0.203 0.000 1.203 116 Y CA -1.745 56.288 58.100 -0.113 0.000 1.255 116 Y CB 1.187 39.608 38.460 -0.065 0.000 1.232 116 Y HN 0.697 nan 8.280 nan 0.000 0.501 117 S N 0.479 116.049 115.700 -0.217 0.000 2.312 117 S HA 0.565 5.037 4.470 0.003 0.000 0.173 117 S C 0.500 174.725 174.600 -0.624 0.000 1.488 117 S CA -0.444 57.477 58.200 -0.465 0.000 1.239 117 S CB 0.606 63.370 63.200 -0.727 0.000 1.215 117 S HN 1.250 nan 8.310 nan 0.000 0.438 118 G N 2.712 111.366 108.800 -0.244 0.000 2.557 118 G HA2 -0.346 3.616 3.960 0.003 0.000 0.292 118 G HA3 -0.346 3.616 3.960 0.003 0.000 0.292 118 G C 0.442 175.266 174.900 -0.125 0.000 1.162 118 G CA 0.504 45.529 45.100 -0.124 0.000 0.964 118 G HN 0.647 nan 8.290 nan 0.000 0.541 119 L N 1.008 122.228 121.223 -0.004 0.000 2.071 119 L HA 0.352 4.693 4.340 0.003 0.000 0.201 119 L C 2.020 178.936 176.870 0.076 0.000 1.076 119 L CA 1.211 56.089 54.840 0.062 0.000 0.755 119 L CB -0.751 41.416 42.059 0.179 0.000 0.915 119 L HN 0.562 nan 8.230 nan 0.000 0.445 120 F N 0.003 119.995 119.950 0.071 0.000 2.426 120 F HA 0.416 4.944 4.527 0.000 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 0.114 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 1.367 120.739 119.300 0.120 0.000 2.686 121 C HA 0.838 5.300 4.460 0.003 0.000 0.318 121 C C -0.428 174.614 174.990 0.087 0.000 1.160 121 C CA -0.734 58.325 59.018 0.068 0.000 1.396 121 C CB 0.576 28.461 27.740 0.243 0.000 1.924 121 C HN 0.917 nan 8.230 nan 0.000 0.471 122 V N 3.622 123.543 119.914 0.012 0.000 3.083 122 V HA 0.627 4.748 4.120 0.003 0.000 0.306 122 V C 0.201 176.225 176.094 -0.115 0.000 1.077 122 V CA -0.309 61.965 62.300 -0.042 0.000 1.073 122 V CB 1.552 33.329 31.823 -0.075 0.000 1.081 122 V HN 0.863 nan 8.190 nan 0.000 0.474 123 V N 3.323 123.107 119.914 -0.217 0.000 3.138 123 V HA 0.250 4.372 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 61.731 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 2.782 123.131 120.570 -0.369 0.000 2.845 124 I HA -0.011 4.161 4.170 0.003 0.000 0.290 124 I C 1.147 177.018 176.117 -0.409 0.000 1.202 124 I CA 0.761 61.800 61.300 -0.436 0.000 1.406 124 I CB -0.019 37.605 38.000 -0.627 0.000 1.383 124 I HN 0.455 nan 8.210 nan 0.000 0.549 125 N N 9.902 128.345 118.700 -0.428 0.000 2.292 125 N HA -0.052 4.689 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 39.032 38.487 -0.687 0.000 1.064 125 N HN 0.331 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 0.146 0.000 1.151 126 P CA 0.766 63.916 63.100 0.082 0.000 0.850 126 P CB 0.458 32.164 31.700 0.010 0.000 0.801 127 Y N -1.704 118.617 120.300 0.035 0.000 4.936 127 Y HA -0.194 4.360 4.550 0.006 0.000 0.260 127 Y C 0.531 176.444 175.900 0.022 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 0.042 0.000 1.344 127 Y HN 0.112 nan 8.280 nan 0.000 0.521 128 K N 0.624 121.117 120.400 0.156 0.000 2.281 128 K HA 0.525 4.847 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 1.212 33.729 32.500 0.028 0.000 1.181 128 K HN -0.048 nan 8.250 nan 0.000 0.435 129 Q N 2.911 122.730 119.800 0.031 0.000 3.184 129 Q HA 0.229 4.570 4.340 0.003 0.000 0.288 129 Q C -0.397 175.589 176.000 -0.023 0.000 1.412 129 Q CA 0.018 55.844 55.803 0.037 0.000 0.991 129 Q CB -0.172 28.600 28.738 0.056 0.000 1.688 129 Q HN 0.335 nan 8.270 nan 0.000 0.554 130 L N 2.204 123.362 121.223 -0.108 0.000 2.482 130 L HA 0.138 4.480 4.340 0.003 0.000 0.273 130 L C -1.590 175.203 176.870 -0.129 0.000 1.228 130 L CA -1.315 53.339 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 0.325 nan 8.230 nan 0.000 0.494 131 P HA 0.247 nan 4.420 nan 0.000 0.201 131 P C -0.079 177.209 177.300 -0.019 0.000 1.882 131 P CA -0.068 63.046 63.100 0.024 0.000 1.129 131 P CB -0.105 31.664 31.700 0.115 0.000 1.794 132 I N -2.343 118.091 120.570 -0.226 0.000 3.621 132 I HA 0.433 4.604 4.170 0.003 0.000 0.325 132 I C -1.214 174.637 176.117 -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 1.366 121.780 120.300 0.191 0.000 2.349 133 Y HA 0.732 5.286 4.550 0.007 0.000 0.324 133 Y C 0.100 176.186 175.900 0.311 0.000 1.005 133 Y CA -1.015 57.277 58.100 0.321 0.000 1.240 133 Y CB 1.583 40.186 38.460 0.238 0.000 1.117 133 Y HN 0.279 nan 8.280 nan 0.000 0.463 134 S N 1.134 117.106 115.700 0.453 0.000 2.565 134 S HA 0.287 4.758 4.470 0.003 0.000 0.274 134 S C 0.348 175.057 174.600 0.182 0.000 1.144 134 S CA -0.708 57.653 58.200 0.268 0.000 0.849 134 S CB 1.481 64.801 63.200 0.200 0.000 1.103 134 S HN 0.566 nan 8.310 nan 0.000 0.455 135 E N 2.152 122.431 120.200 0.131 0.000 2.108 135 E HA -0.227 4.125 4.350 0.003 0.000 0.203 135 E C 1.809 178.452 176.600 0.071 0.000 1.022 135 E CA 2.326 58.775 56.400 0.080 0.000 0.823 135 E CB -0.175 29.610 29.700 0.141 0.000 0.744 135 E HN 0.632 nan 8.360 nan 0.000 0.456 136 K N 0.241 120.697 120.400 0.093 0.000 2.000 136 K HA -0.221 4.101 4.320 0.003 0.000 0.218 136 K C 1.972 178.623 176.600 0.085 0.000 1.053 136 K CA 2.180 58.514 56.287 0.079 0.000 0.946 136 K CB -0.352 32.198 32.500 0.084 0.000 0.723 136 K HN 0.196 nan 8.250 nan 0.000 0.446 137 I N 1.537 122.188 120.570 0.136 0.000 2.454 137 I HA -0.239 3.932 4.170 0.003 0.000 0.254 137 I C 2.373 178.631 176.117 0.235 0.000 1.156 137 I CA 0.766 62.182 61.300 0.194 0.000 1.433 137 I CB -0.764 37.393 38.000 0.262 0.000 1.082 137 I HN 0.246 nan 8.210 nan 0.000 0.432 138 I N 1.159 121.774 120.570 0.074 0.000 2.142 138 I HA -0.271 3.900 4.170 0.003 0.000 0.240 138 I C 2.185 178.255 176.117 -0.080 0.000 1.078 138 I CA 1.659 62.861 61.300 -0.164 0.000 1.343 138 I CB -1.185 36.590 38.000 -0.376 0.000 1.046 138 I HN 0.261 nan 8.210 nan 0.000 0.405 139 D N 0.108 120.478 120.400 -0.050 0.000 2.264 139 D HA -0.134 4.508 4.640 0.003 0.000 0.208 139 D C 2.319 178.622 176.300 0.005 0.000 0.966 139 D CA 0.769 54.751 54.000 -0.031 0.000 0.864 139 D CB 0.087 40.885 40.800 -0.004 0.000 0.933 139 D HN 0.321 nan 8.370 nan 0.000 0.499 140 M N -0.632 118.978 119.600 0.018 0.000 2.117 140 M HA -0.199 4.283 4.480 0.003 0.000 0.262 140 M C 1.634 177.872 176.300 -0.105 0.000 1.065 140 M CA 1.418 56.682 55.300 -0.061 0.000 1.114 140 M CB -0.038 32.490 32.600 -0.121 0.000 1.361 140 M HN 0.033 nan 8.290 nan 0.000 0.408 141 Y N -0.362 119.975 120.300 0.061 0.000 2.490 141 Y HA 0.065 4.620 4.550 0.009 0.000 0.285 141 Y C 0.843 176.826 175.900 0.138 0.000 1.117 141 Y CA 0.405 58.572 58.100 0.110 0.000 1.262 141 Y CB -0.068 38.510 38.460 0.196 0.000 1.043 141 Y HN 0.037 nan 8.280 nan 0.000 0.553 142 K N 0.578 121.104 120.400 0.211 0.000 2.405 142 K HA 0.091 4.412 4.320 0.003 0.000 0.273 142 K C 1.230 177.894 176.600 0.106 0.000 1.116 142 K CA 1.193 57.546 56.287 0.110 0.000 1.155 142 K CB -0.464 32.018 32.500 -0.031 0.000 0.858 142 K HN 0.506 nan 8.250 nan 0.000 0.477 143 G N 3.182 112.065 108.800 0.137 0.000 2.396 143 G HA2 -0.326 3.636 3.960 0.003 0.000 0.242 143 G HA3 -0.326 3.636 3.960 0.003 0.000 0.242 143 G C -0.075 174.870 174.900 0.075 0.000 1.069 143 G CA 0.328 45.482 45.100 0.089 0.000 0.633 143 G HN 0.572 nan 8.290 nan 0.000 0.517 144 K N 1.857 122.309 120.400 0.087 0.000 2.491 144 K HA 0.370 4.692 4.320 0.003 0.000 0.279 144 K C 0.994 177.624 176.600 0.049 0.000 1.026 144 K CA 0.413 56.734 56.287 0.056 0.000 1.070 144 K CB 0.580 33.105 32.500 0.041 0.000 0.887 144 K HN 0.610 nan 8.250 nan 0.000 0.481 145 K N 2.348 122.726 120.400 -0.037 0.000 2.251 145 K HA -0.098 4.224 4.320 0.003 0.000 0.247 145 K C 0.956 177.500 176.600 -0.092 0.000 1.098 145 K CA 0.709 56.920 56.287 -0.127 0.000 0.800 145 K CB 0.333 32.625 32.500 -0.347 0.000 1.086 145 K HN 0.416 nan 8.250 nan 0.000 0.520 146 R N -0.642 119.762 120.500 -0.160 0.000 2.075 146 R HA -0.036 4.306 4.340 0.003 0.000 0.226 146 R C 2.070 178.431 176.300 0.102 0.000 1.114 146 R CA 2.035 58.141 56.100 0.010 0.000 0.972 146 R CB -0.673 29.639 30.300 0.020 0.000 0.869 146 R HN 0.733 nan 8.270 nan 0.000 0.437 147 H N -0.396 118.756 119.070 0.136 0.000 2.547 147 H HA 0.241 4.798 4.556 0.003 0.000 0.272 147 H C 0.711 176.093 175.328 0.090 0.000 0.971 147 H CA 0.203 56.321 56.048 0.118 0.000 1.245 147 H CB -0.294 29.526 29.762 0.095 0.000 1.440 147 H HN 0.096 nan 8.280 nan 0.000 0.540 148 E N 0.838 121.098 120.200 0.100 0.000 2.533 148 E HA -0.005 4.346 4.350 0.003 0.000 0.203 148 E C 0.057 176.705 176.600 0.080 0.000 1.101 148 E CA 0.511 56.997 56.400 0.144 0.000 0.894 148 E CB -0.005 29.719 29.700 0.041 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 0.077 0.000 2.833 149 M HA 0.287 4.769 4.480 0.003 0.000 0.270 149 M C -2.796 173.509 176.300 0.009 0.000 1.209 149 M CA -1.816 53.466 55.300 -0.029 0.000 0.826 149 M CB 2.213 34.703 32.600 -0.183 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 -1.362 61.636 63.100 -0.169 0.000 0.824 150 P CB -0.446 31.015 31.700 -0.397 0.000 1.038 151 P HA -0.036 nan 4.420 nan 0.000 0.260 151 P C -0.178 176.993 177.300 -0.214 0.000 1.172 151 P CA 1.269 64.040 63.100 -0.548 0.000 0.760 151 P CB 0.083 31.261 31.700 -0.870 0.000 0.773 152 H N 2.580 121.417 119.070 -0.389 0.000 3.037 152 H HA 0.132 4.692 4.556 0.007 0.000 0.336 152 H C 0.285 175.127 175.328 -0.810 0.000 1.323 152 H CA -0.615 54.898 56.048 -0.890 0.000 1.159 152 H CB 1.574 30.771 29.762 -0.942 0.000 1.882 152 H HN 0.143 nan 8.280 nan 0.000 0.535 153 I N 2.851 122.514 120.570 -1.512 0.000 2.179 153 I HA -0.235 3.937 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 -0.520 0.000 1.357 153 I CB -0.727 37.073 38.000 -0.333 0.000 1.051 153 I HN 0.562 nan 8.210 nan 0.000 0.409 154 Y N 1.083 121.371 120.300 -0.021 0.000 2.348 154 Y HA -0.222 4.329 4.550 0.001 0.000 0.285 154 Y C 2.518 178.049 175.900 -0.616 0.000 1.173 154 Y CA 0.686 58.582 58.100 -0.339 0.000 1.263 154 Y CB -1.750 36.611 38.460 -0.165 0.000 0.974 154 Y HN 0.307 nan 8.280 nan 0.000 0.547 155 A N -0.110 122.520 122.820 -0.317 0.000 1.874 155 A HA -0.070 4.252 4.320 0.003 0.000 0.214 155 A C 2.291 179.804 177.584 -0.118 0.000 1.189 155 A CA 1.200 53.129 52.037 -0.181 0.000 0.615 155 A CB -0.896 18.074 19.000 -0.049 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 -0.097 0.000 2.208 156 I HA -0.292 3.879 4.170 0.003 0.000 0.245 156 I C 2.934 178.980 176.117 -0.120 0.000 1.097 156 I CA 1.129 62.381 61.300 -0.080 0.000 1.363 156 I CB -0.311 37.669 38.000 -0.034 0.000 1.051 156 I HN 0.339 nan 8.210 nan 0.000 0.413 157 A N 0.102 122.800 122.820 -0.203 0.000 1.865 157 A HA -0.307 4.015 4.320 0.003 0.000 0.217 157 A C 2.229 179.682 177.584 -0.218 0.000 1.191 157 A CA 2.246 54.135 52.037 -0.247 0.000 0.623 157 A CB -0.806 17.935 19.000 -0.431 0.000 0.826 157 A HN 0.490 nan 8.150 nan 0.000 0.444 158 D N -1.145 119.050 120.400 -0.343 0.000 2.144 158 D HA -0.110 4.532 4.640 0.003 0.000 0.200 158 D C 1.763 178.082 176.300 0.031 0.000 0.978 158 D CA 1.722 55.701 54.000 -0.035 0.000 0.833 158 D CB -0.010 40.838 40.800 0.080 0.000 0.961 158 D HN 0.383 nan 8.370 nan 0.000 0.470 159 T N 0.417 114.952 114.554 -0.030 0.000 2.788 159 T HA -0.094 4.258 4.350 0.003 0.000 0.268 159 T C 1.910 176.581 174.700 -0.047 0.000 1.044 159 T CA 1.439 63.518 62.100 -0.034 0.000 1.139 159 T CB -0.141 68.694 68.868 -0.056 0.000 0.867 159 T HN 0.243 nan 8.240 nan 0.000 0.454 160 A N 0.765 123.558 122.820 -0.044 0.000 1.843 160 A HA 0.013 4.335 4.320 0.003 0.000 0.213 160 A C 2.055 179.602 177.584 -0.061 0.000 1.202 160 A CA 1.221 53.226 52.037 -0.054 0.000 0.607 160 A CB -1.231 17.743 19.000 -0.044 0.000 0.847 160 A HN 0.537 nan 8.150 nan 0.000 0.445 161 Y N 0.976 121.205 120.300 -0.119 0.000 2.348 161 Y HA -0.290 4.260 4.550 0.000 0.000 0.285 161 Y C 2.294 178.073 175.900 -0.202 0.000 1.173 161 Y CA 2.282 60.273 58.100 -0.182 0.000 1.263 161 Y CB -0.255 38.104 38.460 -0.168 0.000 0.974 161 Y HN 0.380 nan 8.280 nan 0.000 0.547 162 R N -0.919 119.385 120.500 -0.326 0.000 2.074 162 R HA -0.000 4.341 4.340 0.003 0.000 0.218 162 R C 2.606 178.734 176.300 -0.287 0.000 1.137 162 R CA 1.235 57.114 56.100 -0.368 0.000 0.998 162 R CB -0.961 29.254 30.300 -0.143 0.000 0.895 162 R HN 0.143 nan 8.270 nan 0.000 0.442 163 S N 0.686 116.278 115.700 -0.180 0.000 2.400 163 S HA -0.291 4.181 4.470 0.003 0.000 0.234 163 S C 1.829 176.329 174.600 -0.167 0.000 1.049 163 S CA 1.918 60.034 58.200 -0.139 0.000 1.039 163 S CB -0.371 62.767 63.200 -0.104 0.000 0.856 163 S HN 0.515 nan 8.310 nan 0.000 0.465 164 M N 0.596 120.067 119.600 -0.216 0.000 2.059 164 M HA -0.134 4.348 4.480 0.003 0.000 0.259 164 M C 1.688 177.857 176.300 -0.219 0.000 1.072 164 M CA 1.891 57.067 55.300 -0.207 0.000 1.117 164 M CB -0.473 31.995 32.600 -0.221 0.000 1.320 164 M HN 0.310 nan 8.290 nan 0.000 0.408 165 L N 0.490 121.514 121.223 -0.332 0.000 2.549 165 L HA -0.145 4.196 4.340 0.003 0.000 0.229 165 L C 2.578 179.338 176.870 -0.183 0.000 1.158 165 L CA 0.509 55.183 54.840 -0.276 0.000 0.842 165 L CB -0.707 41.114 42.059 -0.397 0.000 0.952 165 L HN 0.442 nan 8.230 nan 0.000 0.452 166 Q N 0.338 120.038 119.800 -0.166 0.000 2.063 166 Q HA -0.077 4.265 4.340 0.003 0.000 0.194 166 Q C 1.349 177.296 176.000 -0.088 0.000 0.974 166 Q CA 1.529 57.263 55.803 -0.115 0.000 0.827 166 Q CB -0.101 28.575 28.738 -0.103 0.000 0.902 166 Q HN 0.623 nan 8.270 nan 0.000 0.462 167 D N -0.641 119.708 120.400 -0.085 0.000 2.342 167 D HA 0.079 4.720 4.640 0.003 0.000 0.221 167 D C -0.649 175.613 176.300 -0.064 0.000 1.101 167 D CA -0.284 53.676 54.000 -0.067 0.000 0.837 167 D CB -0.185 40.579 40.800 -0.060 0.000 0.938 167 D HN 0.028 nan 8.370 nan 0.000 0.508 168 R N 0.738 121.194 120.500 -0.073 0.000 2.709 168 R HA -0.215 4.127 4.340 0.003 0.000 0.275 168 R C -0.544 175.725 176.300 -0.052 0.000 0.947 168 R CA 0.961 57.026 56.100 -0.059 0.000 0.784 168 R CB -1.921 28.356 30.300 -0.038 0.000 2.000 168 R HN 0.591 nan 8.270 nan 0.000 0.517 169 E N 2.097 122.255 120.200 -0.071 0.000 2.593 169 E HA 0.031 4.383 4.350 0.003 0.000 0.362 169 E C -0.991 175.536 176.600 -0.121 0.000 0.962 169 E CA -0.631 55.725 56.400 -0.073 0.000 0.760 169 E CB 0.806 30.468 29.700 -0.064 0.000 1.521 169 E HN 0.261 nan 8.360 nan 0.000 0.384 170 D N 3.359 123.662 120.400 -0.161 0.000 2.777 170 D HA -0.135 4.506 4.640 0.003 0.000 0.218 170 D C -0.002 176.089 176.300 -0.349 0.000 1.153 170 D CA 1.224 55.007 54.000 -0.362 0.000 0.846 170 D CB 0.653 41.070 40.800 -0.638 0.000 1.209 170 D HN 0.485 nan 8.370 nan 0.000 0.517 171 Q N -0.108 119.446 119.800 -0.410 0.000 2.495 171 Q HA 0.554 4.896 4.340 0.003 0.000 0.287 171 Q C -0.837 175.026 176.000 -0.228 0.000 1.078 171 Q CA -0.943 54.706 55.803 -0.256 0.000 0.793 171 Q CB 2.231 30.871 28.738 -0.163 0.000 1.459 171 Q HN 0.512 nan 8.270 nan 0.000 0.422 172 S N -0.136 115.476 115.700 -0.147 0.000 2.536 172 S HA 0.751 5.223 4.470 0.003 0.000 0.287 172 S C -0.685 173.829 174.600 -0.143 0.000 1.101 172 S CA -0.724 57.415 58.200 -0.101 0.000 0.950 172 S CB 0.963 64.146 63.200 -0.028 0.000 1.056 172 S HN 0.527 nan 8.310 nan 0.000 0.481 173 I N 2.711 123.209 120.570 -0.120 0.000 2.390 173 I HA 0.316 4.488 4.170 0.003 0.000 0.283 173 I C -1.085 174.967 176.117 -0.109 0.000 1.016 173 I CA -0.592 60.636 61.300 -0.121 0.000 1.151 173 I CB 1.197 39.152 38.000 -0.074 0.000 1.293 173 I HN 0.533 nan 8.210 nan 0.000 0.458 174 L N 5.972 127.096 121.223 -0.165 0.000 2.264 174 L HA 0.419 4.760 4.340 0.003 0.000 0.287 174 L C -0.521 176.367 176.870 0.029 0.000 1.039 174 L CA -0.524 54.270 54.840 -0.077 0.000 0.829 174 L CB 0.799 42.767 42.059 -0.152 0.000 1.211 174 L HN 0.572 nan 8.230 nan 0.000 0.427 175 C N 2.482 121.799 119.300 0.028 0.000 2.322 175 C HA 0.377 4.839 4.460 0.003 0.000 0.343 175 C C 1.516 176.528 174.990 0.036 0.000 1.190 175 C CA -0.533 58.502 59.018 0.030 0.000 1.704 175 C CB -0.385 27.353 27.740 -0.004 0.000 2.293 175 C HN 0.899 nan 8.230 nan 0.000 0.523 176 T N 1.260 115.840 114.554 0.044 0.000 3.057 176 T HA 0.766 5.118 4.350 0.003 0.000 0.312 176 T C 0.454 175.144 174.700 -0.016 0.000 1.227 176 T CA 0.503 62.614 62.100 0.018 0.000 0.929 176 T CB 0.427 69.279 68.868 -0.026 0.000 1.986 176 T HN 2.006 nan 8.240 nan 0.000 0.579 177 G N 0.780 109.565 108.800 -0.026 0.000 2.785 177 G HA2 0.105 4.067 3.960 0.003 0.000 0.686 177 G HA3 0.105 4.067 3.960 0.003 0.000 0.686 177 G C -0.486 174.407 174.900 -0.012 0.000 1.155 177 G CA -0.217 44.853 45.100 -0.050 0.000 0.760 177 G HN 1.211 nan 8.290 nan 0.000 0.624 178 E N 0.466 120.645 120.200 -0.035 0.000 2.425 178 E HA 0.480 4.832 4.350 0.003 0.000 0.258 178 E C 0.930 177.548 176.600 0.030 0.000 1.151 178 E CA 0.072 56.482 56.400 0.017 0.000 0.958 178 E CB 0.701 30.383 29.700 -0.029 0.000 0.968 178 E HN 1.300 nan 8.360 nan 0.000 0.451 179 S N 1.278 117.020 115.700 0.070 0.000 2.575 179 S HA 0.287 4.759 4.470 0.003 0.000 0.295 179 S C 1.095 175.718 174.600 0.037 0.000 1.267 179 S CA 0.714 58.938 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 3.867 112.680 108.800 0.021 0.000 2.279 180 G HA2 -0.245 3.717 3.960 0.003 0.000 0.223 180 G HA3 -0.245 3.717 3.960 0.003 0.000 0.223 180 G C 1.014 175.887 174.900 -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 0.700 123.471 122.820 -0.082 0.000 2.285 181 A HA 0.432 4.754 4.320 0.003 0.000 0.214 181 A C 2.649 180.129 177.584 -0.174 0.000 1.188 181 A CA 2.228 54.169 52.037 -0.159 0.000 0.707 181 A CB -0.962 17.953 19.000 -0.141 0.000 0.771 181 A HN 2.657 nan 8.150 nan 0.000 0.488 182 G N -1.507 107.216 108.800 -0.129 0.000 2.131 182 G HA2 -0.267 3.694 3.960 0.003 0.000 0.223 182 G HA3 -0.267 3.694 3.960 0.003 0.000 0.223 182 G C 0.743 175.584 174.900 -0.099 0.000 0.990 182 G CA 0.735 45.759 45.100 -0.126 0.000 0.671 182 G HN 0.473 nan 8.290 nan 0.000 0.521 183 K N -0.083 120.271 120.400 -0.077 0.000 2.089 183 K HA -0.091 4.230 4.320 0.003 0.000 0.210 183 K C 2.720 179.287 176.600 -0.057 0.000 1.048 183 K CA 2.452 58.705 56.287 -0.058 0.000 0.926 183 K CB -0.311 32.164 32.500 -0.042 0.000 0.714 183 K HN 0.491 nan 8.250 nan 0.000 0.448 184 T N 0.691 115.208 114.554 -0.063 0.000 2.612 184 T HA -0.102 4.250 4.350 0.003 0.000 0.259 184 T C 1.416 176.078 174.700 -0.062 0.000 1.065 184 T CA 1.065 63.128 62.100 -0.062 0.000 1.167 184 T CB -0.252 68.575 68.868 -0.068 0.000 0.863 184 T HN 0.202 nan 8.240 nan 0.000 0.407 185 E N 1.802 121.960 120.200 -0.070 0.000 2.119 185 E HA -0.243 4.109 4.350 0.003 0.000 0.221 185 E C 2.040 178.579 176.600 -0.102 0.000 1.062 185 E CA 1.324 57.670 56.400 -0.091 0.000 0.894 185 E CB -0.823 28.817 29.700 -0.101 0.000 0.785 185 E HN 0.504 nan 8.360 nan 0.000 0.472 186 N N 0.029 118.677 118.700 -0.087 0.000 2.405 186 N HA -0.125 4.616 4.740 0.003 0.000 0.189 186 N C 1.597 177.085 175.510 -0.038 0.000 1.021 186 N CA 1.302 54.319 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 0.821 115.349 114.554 -0.044 0.000 2.939 187 T HA 0.045 4.397 4.350 0.003 0.000 0.254 187 T C 1.807 176.490 174.700 -0.029 0.000 1.041 187 T CA 0.499 62.580 62.100 -0.032 0.000 1.142 187 T CB 0.177 69.025 68.868 -0.033 0.000 0.874 187 T HN 0.188 nan 8.240 nan 0.000 0.452 188 K N 1.138 121.512 120.400 -0.042 0.000 2.152 188 K HA -0.080 4.242 4.320 0.003 0.000 0.206 188 K C 2.263 178.850 176.600 -0.021 0.000 1.048 188 K CA 0.874 57.136 56.287 -0.041 0.000 0.933 188 K CB 0.010 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 0.682 121.067 120.400 -0.024 0.000 1.991 189 K HA -0.063 4.258 4.320 0.003 0.000 0.207 189 K C 2.240 178.940 176.600 0.167 0.000 1.045 189 K CA 0.914 57.248 56.287 0.079 0.000 0.937 189 K CB -0.744 31.750 32.500 -0.010 0.000 0.720 189 K HN -0.049 nan 8.250 nan 0.000 0.438 190 V N 2.653 122.622 119.914 0.092 0.000 2.363 190 V HA -0.272 3.850 4.120 0.003 0.000 0.254 190 V C 2.387 178.528 176.094 0.077 0.000 1.074 190 V CA 1.736 64.078 62.300 0.070 0.000 1.069 190 V CB -0.585 31.245 31.823 0.012 0.000 0.659 190 V HN 0.242 nan 8.190 nan 0.000 0.455 191 I N -0.526 120.069 120.570 0.041 0.000 2.277 191 I HA -0.229 3.943 4.170 0.003 0.000 0.243 191 I C 2.641 178.766 176.117 0.013 0.000 1.094 191 I CA 1.639 62.947 61.300 0.014 0.000 1.393 191 I CB -0.648 37.337 38.000 -0.026 0.000 1.078 191 I HN 0.403 nan 8.210 nan 0.000 0.417 192 Q N 1.055 120.870 119.800 0.024 0.000 2.096 192 Q HA -0.308 4.033 4.340 0.003 0.000 0.208 192 Q C 2.361 178.361 176.000 0.001 0.000 0.993 192 Q CA 2.361 58.169 55.803 0.008 0.000 0.862 192 Q CB -0.409 28.374 28.738 0.075 0.000 0.915 192 Q HN 0.536 nan 8.270 nan 0.000 0.416 193 Y N 0.619 120.849 120.300 -0.117 0.000 2.084 193 Y HA -0.193 4.360 4.550 0.005 0.000 0.279 193 Y C 2.035 177.813 175.900 -0.203 0.000 1.119 193 Y CA 1.723 59.672 58.100 -0.251 0.000 1.101 193 Y CB -0.609 37.719 38.460 -0.220 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 0.228 0.000 2.263 194 L HA -0.248 4.094 4.340 0.003 0.000 0.216 194 L C 2.481 179.307 176.870 -0.073 0.000 1.111 194 L CA 1.457 56.316 54.840 0.032 0.000 0.773 194 L CB -0.753 41.359 42.059 0.089 0.000 0.906 194 L HN 0.440 nan 8.230 nan 0.000 0.439 195 A N -1.898 120.883 122.820 -0.065 0.000 2.119 195 A HA -0.050 4.272 4.320 0.003 0.000 0.217 195 A C 2.260 179.817 177.584 -0.046 0.000 1.153 195 A CA 1.603 53.599 52.037 -0.068 0.000 0.692 195 A CB -0.155 18.764 19.000 -0.135 0.000 0.799 195 A HN 0.243 nan 8.150 nan 0.000 0.458 196 V N -1.636 118.178 119.914 -0.166 0.000 3.090 196 V HA -0.004 4.118 4.120 0.003 0.000 0.237 196 V C 2.111 177.971 176.094 -0.391 0.000 1.209 196 V CA 1.116 63.225 62.300 -0.319 0.000 1.209 196 V CB 0.483 31.994 31.823 -0.521 0.000 0.971 196 V HN 0.190 nan 8.190 nan 0.000 0.477 197 V N 0.850 120.469 119.914 -0.492 0.000 2.759 197 V HA 0.005 4.127 4.120 0.003 0.000 0.256 197 V C 2.155 177.987 176.094 -0.437 0.000 1.080 197 V CA 1.905 63.897 62.300 -0.514 0.000 1.101 197 V CB -0.254 31.096 31.823 -0.788 0.000 0.698 197 V HN 0.583 nan 8.190 nan 0.000 0.477 198 A N -0.564 122.003 122.820 -0.423 0.000 2.456 198 A HA 0.296 4.618 4.320 0.003 0.000 0.237 198 A C 1.321 178.779 177.584 -0.210 0.000 1.217 198 A CA 0.599 52.364 52.037 -0.453 0.000 0.962 198 A CB 0.109 18.679 19.000 -0.717 0.000 1.079 198 A HN 0.501 nan 8.150 nan 0.000 0.536 199 S N -0.198 115.438 115.700 -0.107 0.000 2.596 199 S HA 0.396 4.868 4.470 0.003 0.000 0.260 199 S C 0.382 175.020 174.600 0.064 0.000 1.336 199 S CA 0.389 58.602 58.200 0.022 0.000 0.993 199 S CB 0.807 64.022 63.200 0.024 0.000 0.923 199 S HN 0.316 nan 8.310 nan 0.000 0.567 200 S N 0.809 116.579 115.700 0.117 0.000 2.565 200 S HA 0.434 4.905 4.470 0.003 0.000 0.290 200 S C -0.407 174.145 174.600 -0.080 0.000 1.150 200 S CA -0.849 57.339 58.200 -0.020 0.000 1.058 200 S CB 0.115 63.286 63.200 -0.050 0.000 1.032 200 S HN 0.841 nan 8.310 nan 0.000 0.510 201 H N 1.325 120.478 119.070 0.139 0.000 2.525 201 H HA 0.414 4.972 4.556 0.003 0.000 0.340 201 H C -0.324 175.046 175.328 0.070 0.000 1.168 201 H CA -0.956 55.161 56.048 0.114 0.000 1.247 201 H CB 0.999 30.836 29.762 0.125 0.000 1.568 201 H HN 0.482 nan 8.280 nan 0.000 0.536 202 K N 1.094 121.625 120.400 0.218 0.000 2.911 202 K HA 0.187 4.508 4.320 0.003 0.000 0.239 202 K C 0.651 177.305 176.600 0.090 0.000 1.090 202 K CA 0.552 56.912 56.287 0.122 0.000 1.225 202 K CB -0.644 31.906 32.500 0.084 0.000 1.087 202 K HN 0.953 nan 8.250 nan 0.000 0.464 203 G N 0.534 109.402 108.800 0.114 0.000 2.848 203 G HA2 -0.280 3.682 3.960 0.003 0.000 0.246 203 G HA3 -0.280 3.682 3.960 0.003 0.000 0.246 203 G C -1.174 173.665 174.900 -0.103 0.000 1.374 203 G CA -0.336 44.760 45.100 -0.006 0.000 0.982 203 G HN 0.368 nan 8.290 nan 0.000 0.563 212 G N 3.611 112.478 108.800 0.111 0.000 2.614 212 G HA2 -0.313 3.648 3.960 0.003 0.000 0.303 212 G HA3 -0.313 3.648 3.960 0.003 0.000 0.303 212 G C -1.482 173.509 174.900 0.151 0.000 1.270 212 G CA 0.306 45.489 45.100 0.137 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 0.635 178.057 177.300 0.203 0.000 1.167 213 P CA 1.028 64.244 63.100 0.194 0.000 0.763 213 P CB -0.139 31.664 31.700 0.173 0.000 0.835 214 S N 0.897 116.684 115.700 0.145 0.000 2.589 214 S HA 0.210 4.682 4.470 0.003 0.000 0.306 214 S C -0.235 174.439 174.600 0.124 0.000 1.221 214 S CA 0.652 58.916 58.200 0.107 0.000 1.159 214 S CB -1.236 61.996 63.200 0.054 0.000 0.990 214 S HN 0.140 nan 8.310 nan 0.000 0.514 215 F N 2.037 121.915 119.950 -0.120 0.000 2.654 215 F HA 0.194 4.725 4.527 0.006 0.000 0.315 215 F C -0.571 174.994 175.800 -0.392 0.000 1.042 215 F CA -0.907 56.905 58.000 -0.312 0.000 1.048 215 F CB 0.583 39.265 39.000 -0.529 0.000 1.287 215 F HN 0.338 nan 8.300 nan 0.000 0.501 216 S N 5.630 121.339 115.700 0.016 0.000 2.399 216 S HA 0.585 5.056 4.470 0.003 0.000 0.301 216 S C -0.729 174.009 174.600 0.229 0.000 1.093 216 S CA -0.293 57.974 58.200 0.111 0.000 1.077 216 S CB -0.112 63.103 63.200 0.025 0.000 0.980 216 S HN 0.427 nan 8.310 nan 0.000 0.494 217 Y N 2.878 123.332 120.300 0.258 0.000 2.282 217 Y HA 0.543 5.096 4.550 0.005 0.000 0.335 217 Y C 1.774 177.740 175.900 0.109 0.000 1.335 217 Y CA 0.050 58.235 58.100 0.142 0.000 1.529 217 Y CB -0.183 38.285 38.460 0.015 0.000 1.429 217 Y HN 0.816 nan 8.280 nan 0.000 0.563 218 G N 0.121 109.070 108.800 0.248 0.000 2.527 218 G HA2 0.040 4.001 3.960 0.003 0.000 0.279 218 G HA3 0.040 4.001 3.960 0.003 0.000 0.279 218 G C 0.203 175.174 174.900 0.118 0.000 1.374 218 G CA -0.210 44.980 45.100 0.151 0.000 1.053 218 G HN 0.730 nan 8.290 nan 0.000 0.539 219 E N -1.354 118.890 120.200 0.073 0.000 2.140 219 E HA 0.035 4.387 4.350 0.003 0.000 0.191 219 E C 2.305 178.918 176.600 0.022 0.000 0.973 219 E CA 0.112 56.540 56.400 0.047 0.000 0.829 219 E CB -0.100 29.620 29.700 0.033 0.000 0.781 219 E HN 0.264 nan 8.360 nan 0.000 0.466 220 L N 0.865 122.098 121.223 0.017 0.000 2.127 220 L HA 0.001 4.342 4.340 0.003 0.000 0.203 220 L C 1.407 178.263 176.870 -0.024 0.000 1.080 220 L CA 1.494 56.329 54.840 -0.008 0.000 0.768 220 L CB -0.005 42.050 42.059 -0.007 0.000 0.924 220 L HN -0.088 nan 8.230 nan 0.000 0.444 221 E N -0.332 119.865 120.200 -0.005 0.000 2.265 221 E HA -0.238 4.114 4.350 0.003 0.000 0.196 221 E C 2.023 178.560 176.600 -0.105 0.000 0.996 221 E CA 0.959 57.335 56.400 -0.040 0.000 0.832 221 E CB -0.144 29.567 29.700 0.017 0.000 0.756 221 E HN 0.366 nan 8.360 nan 0.000 0.491 222 K N 0.424 120.793 120.400 -0.051 0.000 2.002 222 K HA -0.178 4.143 4.320 0.003 0.000 0.209 222 K C 2.147 178.684 176.600 -0.106 0.000 1.048 222 K CA 1.480 57.724 56.287 -0.072 0.000 0.930 222 K CB 0.040 32.540 32.500 -0.000 0.000 0.714 222 K HN 0.056 nan 8.250 nan 0.000 0.438 223 Q N -0.022 119.727 119.800 -0.085 0.000 2.046 223 Q HA -0.120 4.221 4.340 0.003 0.000 0.200 223 Q C 1.929 177.860 176.000 -0.116 0.000 0.975 223 Q CA 1.173 56.915 55.803 -0.102 0.000 0.836 223 Q CB -0.159 28.525 28.738 -0.090 0.000 0.896 223 Q HN 0.186 nan 8.270 nan 0.000 0.428 224 L N 0.441 121.601 121.223 -0.105 0.000 2.197 224 L HA -0.210 4.132 4.340 0.003 0.000 0.215 224 L C 1.700 178.498 176.870 -0.121 0.000 1.095 224 L CA 1.597 56.374 54.840 -0.104 0.000 0.764 224 L CB -0.467 41.537 42.059 -0.092 0.000 0.897 224 L HN 0.223 nan 8.230 nan 0.000 0.436 225 L N -1.359 119.771 121.223 -0.154 0.000 2.162 225 L HA -0.029 4.313 4.340 0.003 0.000 0.205 225 L C 2.286 179.076 176.870 -0.135 0.000 1.086 225 L CA 1.275 56.011 54.840 -0.174 0.000 0.778 225 L CB -0.601 41.293 42.059 -0.275 0.000 0.928 225 L HN 0.309 nan 8.230 nan 0.000 0.446 226 Q N -1.163 118.558 119.800 -0.132 0.000 2.444 226 Q HA 0.180 4.522 4.340 0.003 0.000 0.206 226 Q C 1.835 177.755 176.000 -0.132 0.000 0.948 226 Q CA 0.734 56.464 55.803 -0.123 0.000 0.946 226 Q CB 0.032 28.693 28.738 -0.128 0.000 1.027 226 Q HN 0.471 nan 8.270 nan 0.000 0.513 227 A N 0.439 123.185 122.820 -0.124 0.000 1.832 227 A HA -0.160 4.161 4.320 0.003 0.000 0.214 227 A C 1.938 179.474 177.584 -0.080 0.000 1.204 227 A CA 1.297 53.262 52.037 -0.119 0.000 0.606 227 A CB -0.695 18.243 19.000 -0.103 0.000 0.849 227 A HN 0.396 nan 8.150 nan 0.000 0.445 228 N N -0.011 118.660 118.700 -0.049 0.000 2.132 228 N HA -0.133 4.608 4.740 0.003 0.000 0.191 228 N C -0.995 174.509 175.510 -0.009 0.000 1.015 228 N CA 1.943 54.989 53.050 -0.007 0.000 0.864 228 N CB -0.799 37.682 38.487 -0.011 0.000 1.006 228 N HN 0.365 nan 8.380 nan 0.000 0.430 229 P HA -0.010 nan 4.420 nan 0.000 0.237 229 P C 1.444 178.701 177.300 -0.071 0.000 1.178 229 P CA 0.637 63.716 63.100 -0.034 0.000 0.766 229 P CB 0.185 31.863 31.700 -0.038 0.000 0.876 230 I N -0.366 120.141 120.570 -0.104 0.000 2.522 230 I HA -0.076 4.095 4.170 0.003 0.000 0.240 230 I C 2.445 178.457 176.117 -0.175 0.000 1.078 230 I CA 0.579 61.770 61.300 -0.180 0.000 1.422 230 I CB -0.530 37.366 38.000 -0.173 0.000 1.188 230 I HN -0.273 nan 8.210 nan 0.000 0.442 231 L N 0.333 121.538 121.223 -0.030 0.000 2.263 231 L HA -0.236 4.106 4.340 0.003 0.000 0.216 231 L C 2.141 179.165 176.870 0.258 0.000 1.111 231 L CA 1.358 56.280 54.840 0.137 0.000 0.773 231 L CB -0.935 41.265 42.059 0.236 0.000 0.906 231 L HN 0.403 nan 8.230 nan 0.000 0.439 232 E N 0.230 120.490 120.200 0.100 0.000 2.208 232 E HA -0.127 4.224 4.350 0.003 0.000 0.193 232 E C 2.154 178.712 176.600 -0.071 0.000 0.988 232 E CA 0.828 57.262 56.400 0.056 0.000 0.828 232 E CB 0.128 29.836 29.700 0.013 0.000 0.763 232 E HN 0.533 nan 8.360 nan 0.000 0.478 233 A N 1.438 124.133 122.820 -0.208 0.000 1.822 233 A HA -0.094 4.227 4.320 0.003 0.000 0.214 233 A C 0.744 178.217 177.584 -0.184 0.000 1.245 233 A CA 0.718 52.509 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 0.171 nan 8.150 nan 0.000 0.457 234 F N 0.361 120.376 119.950 0.108 0.000 2.679 234 F HA 0.496 5.024 4.527 0.001 0.000 0.351 234 F C 1.327 177.334 175.800 0.345 0.000 1.279 234 F CA 0.137 58.240 58.000 0.172 0.000 1.227 234 F CB -0.628 38.370 39.000 -0.004 0.000 1.623 234 F HN 0.348 nan 8.300 nan 0.000 0.666 235 G N 0.995 110.186 108.800 0.652 0.000 3.990 235 G HA2 -0.045 3.917 3.960 0.003 0.000 0.213 235 G HA3 -0.045 3.917 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 44.980 45.100 0.749 0.000 0.857 235 G HN 0.440 nan 8.290 nan 0.000 0.484 236 N N 0.339 119.138 118.700 0.164 0.000 2.319 236 N HA 0.806 5.548 4.740 0.003 0.000 0.305 236 N C -0.458 174.800 175.510 -0.420 0.000 1.103 236 N CA 0.314 53.234 53.050 -0.216 0.000 0.815 236 N CB 2.309 40.554 38.487 -0.402 0.000 1.288 236 N HN 0.620 nan 8.380 nan 0.000 0.493 237 A N 0.764 123.426 122.820 -0.264 0.000 2.594 237 A HA 0.454 4.776 4.320 0.003 0.000 0.296 237 A C -1.197 176.410 177.584 0.038 0.000 1.061 237 A CA -0.876 51.140 52.037 -0.035 0.000 0.689 237 A CB 0.872 19.729 19.000 -0.238 0.000 1.280 237 A HN 0.674 nan 8.150 nan 0.000 0.406 238 K N 1.012 121.476 120.400 0.106 0.000 2.472 238 K HA 0.392 4.714 4.320 0.003 0.000 0.280 238 K C 0.179 176.775 176.600 -0.008 0.000 1.028 238 K CA 1.308 57.617 56.287 0.037 0.000 1.045 238 K CB 0.217 32.698 32.500 -0.031 0.000 0.902 238 K HN 1.126 nan 8.250 nan 0.000 0.478 239 T N 0.450 115.016 114.554 0.020 0.000 2.883 239 T HA 0.205 4.556 4.350 0.003 0.000 0.296 239 T C 0.782 175.535 174.700 0.088 0.000 1.117 239 T CA -0.455 61.660 62.100 0.024 0.000 1.006 239 T CB 1.131 70.037 68.868 0.063 0.000 1.191 239 T HN 0.639 nan 8.240 nan 0.000 0.508 240 V N 0.160 120.147 119.914 0.122 0.000 3.284 240 V HA 0.147 4.269 4.120 0.003 0.000 0.273 240 V C 1.249 177.442 176.094 0.164 0.000 1.178 240 V CA 1.258 63.644 62.300 0.144 0.000 1.177 240 V CB -1.410 30.523 31.823 0.183 0.000 0.793 240 V HN 0.855 nan 8.190 nan 0.000 0.536 241 K N 0.362 120.879 120.400 0.195 0.000 2.502 241 K HA 0.277 4.599 4.320 0.003 0.000 0.211 241 K C 0.114 176.796 176.600 0.136 0.000 1.259 241 K CA 0.270 56.650 56.287 0.155 0.000 0.983 241 K CB 0.547 33.128 32.500 0.136 0.000 1.054 241 K HN 0.567 nan 8.250 nan 0.000 0.572 242 N N 1.223 119.994 118.700 0.118 0.000 2.777 242 N HA 0.016 4.757 4.740 0.003 0.000 0.260 242 N C -0.449 175.109 175.510 0.079 0.000 1.113 242 N CA -0.068 53.042 53.050 0.099 0.000 0.996 242 N CB 1.197 39.742 38.487 0.096 0.000 1.584 242 N HN -0.193 nan 8.380 nan 0.000 0.573 243 D N 1.595 122.035 120.400 0.066 0.000 2.203 243 D HA -0.195 4.446 4.640 0.003 0.000 0.199 243 D C 0.158 176.539 176.300 0.134 0.000 0.997 243 D CA 1.536 55.572 54.000 0.061 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 -0.129 118.653 118.700 0.137 0.000 2.791 244 N HA 0.062 4.803 4.740 0.003 0.000 0.265 244 N C -1.448 174.079 175.510 0.028 0.000 1.580 244 N CA -0.154 52.994 53.050 0.165 0.000 0.809 244 N CB 0.858 39.466 38.487 0.202 0.000 1.178 244 N HN -0.249 nan 8.380 nan 0.000 0.499 245 S N 0.574 116.276 115.700 0.003 0.000 2.565 245 S HA 0.294 4.766 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 -0.416 57.761 58.200 -0.038 0.000 1.043 245 S CB 0.519 63.721 63.200 0.003 0.000 0.939 245 S HN 0.448 nan 8.310 nan 0.000 0.504 246 S N 3.552 119.152 115.700 -0.166 0.000 2.430 246 S HA 0.224 4.696 4.470 0.003 0.000 0.282 246 S C 0.478 174.896 174.600 -0.303 0.000 1.186 246 S CA -0.397 57.599 58.200 -0.340 0.000 1.060 246 S CB 0.255 63.216 63.200 -0.397 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 4.663 4.340 0.003 0.000 0.279 247 R C -0.889 175.532 176.300 0.202 0.000 1.212 247 R CA -0.363 55.752 56.100 0.025 0.000 1.169 247 R CB -0.954 29.419 30.300 0.122 0.000 1.286 247 R HN 0.638 nan 8.270 nan 0.000 0.564 248 F N -4.931 115.027 119.950 0.012 0.000 2.654 248 F HA 0.406 4.955 4.527 0.037 0.000 0.315 248 F C 0.073 175.936 175.800 0.105 0.000 1.042 248 F CA -1.700 56.314 58.000 0.022 0.000 1.048 248 F CB -0.066 38.895 39.000 -0.064 0.000 1.287 248 F HN -0.037 nan 8.300 nan 0.000 0.501 249 G N 2.276 111.234 108.800 0.264 0.000 2.630 249 G HA2 0.417 4.379 3.960 0.003 0.000 0.236 249 G HA3 0.417 4.379 3.960 0.003 0.000 0.236 249 G C -1.052 174.218 174.900 0.617 0.000 1.248 249 G CA -0.102 45.167 45.100 0.281 0.000 0.844 249 G HN 1.163 nan 8.290 nan 0.000 0.588 250 K N -0.259 120.445 120.400 0.507 0.000 2.550 250 K HA 0.512 4.834 4.320 0.003 0.000 0.252 250 K C -2.092 174.804 176.600 0.494 0.000 0.943 250 K CA -0.981 55.627 56.287 0.534 0.000 0.806 250 K CB 1.636 34.382 32.500 0.410 0.000 1.289 250 K HN 0.382 nan 8.250 nan 0.000 0.435 251 F N 5.227 125.376 119.950 0.331 0.000 2.532 251 F HA 0.464 4.975 4.527 -0.027 0.000 0.365 251 F C -1.454 174.420 175.800 0.122 0.000 1.112 251 F CA -0.952 57.189 58.000 0.235 0.000 1.082 251 F CB 0.651 39.847 39.000 0.327 0.000 1.319 251 F HN 0.486 nan 8.300 nan 0.000 0.457 252 I N 5.290 125.731 120.570 -0.215 0.000 2.474 252 I HA 0.369 4.540 4.170 0.003 0.000 0.287 252 I C 0.114 176.016 176.117 -0.358 0.000 1.048 252 I CA -0.056 61.128 61.300 -0.193 0.000 1.383 252 I CB 0.963 38.891 38.000 -0.121 0.000 1.412 252 I HN 0.512 nan 8.210 nan 0.000 0.531 253 R N 5.906 126.305 120.500 -0.168 0.000 2.409 253 R HA 0.648 4.990 4.340 0.003 0.000 0.313 253 R C -1.282 174.968 176.300 -0.083 0.000 0.953 253 R CA -0.726 55.319 56.100 -0.092 0.000 0.849 253 R CB 1.115 31.413 30.300 -0.004 0.000 1.171 253 R HN 0.587 nan 8.270 nan 0.000 0.458 254 I N 3.411 123.922 120.570 -0.099 0.000 2.377 254 I HA 0.249 4.420 4.170 0.003 0.000 0.293 254 I C -0.400 175.445 176.117 -0.453 0.000 0.987 254 I CA -0.578 60.561 61.300 -0.268 0.000 1.185 254 I CB 1.624 39.443 38.000 -0.302 0.000 1.341 254 I HN 0.438 nan 8.210 nan 0.000 0.455 255 N N 6.574 125.003 118.700 -0.451 0.000 2.408 255 N HA 0.454 5.195 4.740 0.003 0.000 0.280 255 N C -1.225 174.021 175.510 -0.440 0.000 1.002 255 N CA -0.300 52.533 53.050 -0.361 0.000 0.907 255 N CB 1.492 39.904 38.487 -0.125 0.000 1.161 255 N HN 0.205 nan 8.380 nan 0.000 0.488 256 F N 0.308 120.331 119.950 0.121 0.000 2.522 256 F HA 0.272 4.799 4.527 0.000 0.000 0.324 256 F C 1.114 176.980 175.800 0.110 0.000 1.077 256 F CA -1.117 56.956 58.000 0.123 0.000 0.944 256 F CB 0.956 40.037 39.000 0.135 0.000 1.175 256 F HN 0.371 nan 8.300 nan 0.000 0.468 257 D N 0.288 120.882 120.400 0.324 0.000 2.403 257 D HA 0.136 4.778 4.640 0.003 0.000 0.278 257 D C 1.041 177.458 176.300 0.195 0.000 1.230 257 D CA -0.298 53.830 54.000 0.214 0.000 1.062 257 D CB -0.138 40.774 40.800 0.187 0.000 1.119 257 D HN 0.235 nan 8.370 nan 0.000 0.557 258 V N -1.299 118.701 119.914 0.143 0.000 2.591 258 V HA -0.104 4.018 4.120 0.003 0.000 0.249 258 V C 2.196 178.363 176.094 0.122 0.000 1.053 258 V CA 1.763 64.126 62.300 0.105 0.000 1.068 258 V CB -1.593 30.273 31.823 0.072 0.000 0.689 258 V HN 0.715 nan 8.190 nan 0.000 0.462 259 T N -0.535 114.140 114.554 0.201 0.000 3.072 259 T HA 0.253 4.604 4.350 0.003 0.000 0.266 259 T C 1.575 176.439 174.700 0.274 0.000 1.127 259 T CA 0.988 63.266 62.100 0.298 0.000 1.107 259 T CB -0.037 69.073 68.868 0.403 0.000 0.910 259 T HN 1.087 nan 8.240 nan 0.000 0.513 260 G N 0.377 109.293 108.800 0.193 0.000 2.134 260 G HA2 -0.192 3.770 3.960 0.003 0.000 0.209 260 G HA3 -0.192 3.770 3.960 0.003 0.000 0.209 260 G C -0.276 174.569 174.900 -0.092 0.000 0.993 260 G CA -0.533 44.547 45.100 -0.034 0.000 0.669 260 G HN 0.548 nan 8.290 nan 0.000 0.519 261 Y N -0.393 120.012 120.300 0.175 0.000 2.419 261 Y HA 0.681 5.233 4.550 0.003 0.000 0.328 261 Y C 1.160 177.271 175.900 0.352 0.000 1.162 261 Y CA -1.493 56.724 58.100 0.194 0.000 1.174 261 Y CB 0.963 39.471 38.460 0.080 0.000 1.228 261 Y HN 0.154 nan 8.280 nan 0.000 0.473 262 I N 2.214 123.057 120.570 0.454 0.000 2.588 262 I HA 0.016 4.187 4.170 0.003 0.000 0.283 262 I C 0.643 176.856 176.117 0.159 0.000 1.119 262 I CA 0.502 61.984 61.300 0.303 0.000 1.419 262 I CB 0.931 39.041 38.000 0.182 0.000 1.394 262 I HN 0.668 nan 8.210 nan 0.000 0.562 263 V N 5.646 125.591 119.914 0.052 0.000 3.294 263 V HA 0.513 4.634 4.120 0.003 0.000 0.255 263 V C 0.304 176.385 176.094 -0.022 0.000 1.528 263 V CA 0.838 63.157 62.300 0.032 0.000 1.086 263 V CB 0.843 32.698 31.823 0.054 0.000 0.906 263 V HN 0.761 nan 8.190 nan 0.000 0.433 264 G N -0.296 108.462 108.800 -0.071 0.000 2.708 264 G HA2 0.853 4.815 3.960 0.003 0.000 0.289 264 G HA3 0.853 4.815 3.960 0.003 0.000 0.289 264 G C -1.251 173.581 174.900 -0.114 0.000 1.416 264 G CA -0.322 44.730 45.100 -0.080 0.000 0.829 264 G HN 1.312 nan 8.290 nan 0.000 0.480 265 A N -0.032 122.730 122.820 -0.097 0.000 2.530 265 A HA 0.697 5.019 4.320 0.003 0.000 0.297 265 A C -1.087 176.448 177.584 -0.083 0.000 1.059 265 A CA -0.597 51.381 52.037 -0.099 0.000 0.782 265 A CB 0.942 19.883 19.000 -0.097 0.000 1.301 265 A HN 0.750 nan 8.150 nan 0.000 0.394 266 N N 0.138 118.794 118.700 -0.073 0.000 2.432 266 N HA 0.855 5.597 4.740 0.003 0.000 0.292 266 N C -1.269 174.222 175.510 -0.031 0.000 1.193 266 N CA -0.586 52.429 53.050 -0.057 0.000 0.878 266 N CB 1.357 39.813 38.487 -0.050 0.000 1.252 266 N HN 0.511 nan 8.380 nan 0.000 0.520 267 I N 1.298 121.854 120.570 -0.024 0.000 2.563 267 I HA 0.142 4.314 4.170 0.003 0.000 0.285 267 I C -1.159 174.959 176.117 0.002 0.000 1.123 267 I CA -0.343 60.964 61.300 0.012 0.000 1.059 267 I CB 1.929 39.922 38.000 -0.012 0.000 1.229 267 I HN 0.432 nan 8.210 nan 0.000 0.442 268 E N 4.421 124.657 120.200 0.060 0.000 2.014 268 E HA 0.297 4.648 4.350 0.003 0.000 0.275 268 E C -0.122 176.297 176.600 -0.301 0.000 0.997 268 E CA -0.222 56.101 56.400 -0.128 0.000 0.804 268 E CB 0.744 30.363 29.700 -0.135 0.000 1.090 268 E HN 0.525 nan 8.360 nan 0.000 0.401 269 T N 2.846 117.269 114.554 -0.219 0.000 2.904 269 T HA 0.342 4.694 4.350 0.003 0.000 0.290 269 T C -0.282 174.244 174.700 -0.289 0.000 1.018 269 T CA 0.073 62.146 62.100 -0.044 0.000 1.075 269 T CB 0.382 69.352 68.868 0.170 0.000 0.986 269 T HN 0.430 nan 8.240 nan 0.000 0.523 270 Y N 1.254 121.697 120.300 0.238 0.000 3.171 270 Y HA 0.465 5.026 4.550 0.019 0.000 0.271 270 Y C 0.472 176.420 175.900 0.080 0.000 1.865 270 Y CA -0.942 57.263 58.100 0.175 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 4.399 4.340 0.003 0.000 0.266 271 L C -0.503 176.385 176.870 0.030 0.000 1.321 271 L CA 0.044 54.870 54.840 -0.022 0.000 1.194 271 L CB -0.952 40.967 42.059 -0.235 0.000 1.384 271 L HN 0.188 nan 8.230 nan 0.000 0.438 272 L N 3.174 124.391 121.223 -0.010 0.000 2.536 272 L HA 0.050 4.391 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 -0.181 41.668 42.059 -0.350 0.000 1.279 272 L HN 0.519 nan 8.230 nan 0.000 0.461 273 E N 3.231 123.499 120.200 0.115 0.000 2.574 273 E HA -0.130 4.222 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 -0.113 56.361 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 0.080 120.584 120.400 0.173 0.000 2.555 274 K HA 0.011 4.333 4.320 0.003 0.000 0.193 274 K C 1.324 177.969 176.600 0.075 0.000 1.032 274 K CA 0.520 56.882 56.287 0.125 0.000 1.004 274 K CB 0.073 32.605 32.500 0.054 0.000 0.804 274 K HN 0.092 nan 8.250 nan 0.000 0.496 275 S N 2.561 118.309 115.700 0.081 0.000 2.378 275 S HA -0.271 4.200 4.470 0.003 0.000 0.221 275 S C 1.768 176.390 174.600 0.037 0.000 1.037 275 S CA 1.815 60.036 58.200 0.036 0.000 1.069 275 S CB -0.529 62.697 63.200 0.044 0.000 1.006 275 S HN 0.681 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 -0.095 4.247 4.340 0.003 0.000 0.241 276 R C 1.759 178.116 176.300 0.096 0.000 1.180 276 R CA 1.146 57.276 56.100 0.050 0.000 1.048 276 R CB -0.595 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 1.423 124.300 122.820 0.095 0.000 2.121 277 A HA -0.010 4.312 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 1.227 53.230 52.037 -0.055 0.000 0.679 277 A CB -0.403 18.314 19.000 -0.473 0.000 0.795 277 A HN 0.663 nan 8.150 nan 0.000 0.458 278 I N -5.027 115.375 120.570 -0.281 0.000 3.445 278 I HA 0.362 4.534 4.170 0.003 0.000 0.288 278 I C 0.265 176.493 176.117 0.185 0.000 1.198 278 I CA -0.233 60.905 61.300 -0.271 0.000 1.417 278 I CB 0.369 38.303 38.000 -0.111 0.000 1.205 278 I HN -0.024 nan 8.210 nan 0.000 0.448 279 R N 1.581 122.139 120.500 0.097 0.000 2.512 279 R HA 0.465 4.806 4.340 0.003 0.000 0.291 279 R C -1.509 174.828 176.300 0.061 0.000 1.097 279 R CA -0.420 55.747 56.100 0.111 0.000 0.940 279 R CB 1.810 32.175 30.300 0.108 0.000 1.198 279 R HN 0.127 nan 8.270 nan 0.000 0.429 280 Q N 1.481 121.320 119.800 0.065 0.000 2.241 280 Q HA 0.642 4.984 4.340 0.003 0.000 0.254 280 Q C -0.034 175.972 176.000 0.010 0.000 0.917 280 Q CA -0.565 55.254 55.803 0.026 0.000 0.919 280 Q CB 1.780 30.554 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 0.155 4.476 4.320 0.003 0.000 0.260 281 A C 0.061 177.628 177.584 -0.027 0.000 1.133 281 A CA -0.313 51.693 52.037 -0.052 0.000 0.801 281 A CB 0.196 19.116 19.000 -0.134 0.000 1.092 281 A HN 0.560 nan 8.150 nan 0.000 0.504 282 K N 0.318 120.707 120.400 -0.018 0.000 2.451 282 K HA 0.009 4.331 4.320 0.003 0.000 0.280 282 K C -0.589 176.007 176.600 -0.008 0.000 1.020 282 K CA 0.714 57.002 56.287 0.001 0.000 1.008 282 K CB 0.002 32.507 32.500 0.008 0.000 0.917 282 K HN 0.659 nan 8.250 nan 0.000 0.478 283 D N 1.751 122.154 120.400 0.006 0.000 3.059 283 D HA -0.177 4.465 4.640 0.003 0.000 0.220 283 D C -0.492 175.800 176.300 -0.013 0.000 1.169 283 D CA 1.231 55.232 54.000 0.002 0.000 0.902 283 D CB -0.484 40.319 40.800 0.005 0.000 1.116 283 D HN 0.632 nan 8.370 nan 0.000 0.417 284 E N -0.571 119.617 120.200 -0.020 0.000 2.264 284 E HA 0.691 5.042 4.350 0.003 0.000 0.260 284 E C 0.381 176.986 176.600 0.009 0.000 0.961 284 E CA -0.741 55.637 56.400 -0.038 0.000 0.834 284 E CB 2.107 31.748 29.700 -0.098 0.000 1.230 284 E HN -0.039 nan 8.360 nan 0.000 0.412 285 R N -0.405 120.103 120.500 0.012 0.000 2.930 285 R HA 0.434 4.776 4.340 0.003 0.000 0.257 285 R C -0.246 176.152 176.300 0.164 0.000 1.107 285 R CA -0.534 55.650 56.100 0.139 0.000 0.999 285 R CB 1.733 32.005 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 4.703 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 -0.591 61.673 62.100 0.273 0.000 0.937 286 T CB 0.112 69.290 68.868 0.518 0.000 1.256 286 T HN 0.199 nan 8.240 nan 0.000 0.551 287 F N 1.576 121.611 119.950 0.142 0.000 2.538 287 F HA 0.158 4.684 4.527 -0.002 0.000 0.382 287 F C 2.090 177.972 175.800 0.137 0.000 1.069 287 F CA 0.017 58.039 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 1.976 121.103 119.070 0.095 0.000 2.237 288 H HA -0.364 4.197 4.556 0.008 0.000 0.266 288 H C 2.329 177.506 175.328 -0.252 0.000 1.136 288 H CA 1.987 57.989 56.048 -0.078 0.000 1.236 288 H CB -0.223 29.288 29.762 -0.418 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 3.820 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 1.461 62.718 61.300 -0.071 0.000 1.329 289 I CB -0.568 37.586 38.000 0.258 0.000 1.024 289 I HN 0.116 nan 8.210 nan 0.000 0.423 290 F N 0.452 120.569 119.950 0.279 0.000 2.011 290 F HA -0.254 4.277 4.527 0.006 0.000 0.296 290 F C 2.483 178.343 175.800 0.101 0.000 1.144 290 F CA 2.183 60.245 58.000 0.104 0.000 1.185 290 F CB -1.841 37.092 39.000 -0.111 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 4.244 4.550 0.002 0.000 0.282 291 Y C 2.506 178.763 175.900 0.595 0.000 1.165 291 Y CA 1.638 60.056 58.100 0.530 0.000 1.148 291 Y CB -1.357 37.375 38.460 0.453 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 4.262 4.550 0.003 0.000 0.278 292 Y C 2.423 178.634 175.900 0.519 0.000 1.175 292 Y CA 0.917 59.334 58.100 0.529 0.000 1.134 292 Y CB -1.328 37.463 38.460 0.551 0.000 0.965 292 Y HN 0.153 nan 8.280 nan 0.000 0.498 293 L N 0.399 122.044 121.223 0.704 0.000 1.994 293 L HA -0.171 4.170 4.340 0.003 0.000 0.208 293 L C 2.167 179.076 176.870 0.066 0.000 1.071 293 L CA 1.566 56.682 54.840 0.461 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 -0.673 119.880 120.570 -0.027 0.000 2.623 294 I HA -0.294 3.878 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 62.142 61.300 -0.313 0.000 1.444 294 I CB -0.605 36.737 38.000 -1.096 0.000 1.094 294 I HN 0.390 nan 8.210 nan 0.000 0.451 295 A N 0.232 123.123 122.820 0.118 0.000 1.993 295 A HA 0.300 4.621 4.320 0.003 0.000 0.202 295 A C 2.243 179.748 177.584 -0.131 0.000 1.461 295 A CA 0.616 52.740 52.037 0.146 0.000 0.824 295 A CB -0.939 18.255 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 0.330 4.291 3.960 0.003 0.000 0.209 296 G HA3 0.330 4.291 3.960 0.003 0.000 0.209 296 G C 0.724 174.885 174.900 -1.232 0.000 1.145 296 G CA 0.668 45.221 45.100 -0.912 0.000 0.791 296 G HN 0.833 nan 8.290 nan 0.000 0.530 297 A N 0.791 123.141 122.820 -0.784 0.000 2.520 297 A HA 0.482 4.803 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 0.405 52.201 52.037 -0.403 0.000 0.761 297 A CB 0.176 19.071 19.000 -0.173 0.000 1.004 297 A HN 0.750 nan 8.150 nan 0.000 0.499 298 S N 1.891 117.538 115.700 -0.088 0.000 2.564 298 S HA 0.102 4.574 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 0.088 58.275 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 2.032 122.230 120.200 -0.004 0.000 2.068 299 E HA -0.256 4.096 4.350 0.003 0.000 0.207 299 E C 1.794 178.399 176.600 0.008 0.000 1.032 299 E CA 1.947 58.348 56.400 0.003 0.000 0.839 299 E CB -0.538 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 -0.115 119.693 119.800 0.014 0.000 1.921 300 Q HA -0.198 4.144 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 0.503 nan 8.270 nan 0.000 0.421 301 M N -0.300 119.317 119.600 0.028 0.000 2.426 301 M HA -0.174 4.307 4.480 0.003 0.000 0.261 301 M C 1.860 178.175 176.300 0.026 0.000 1.068 301 M CA 1.543 56.865 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 0.014 nan 8.290 nan 0.000 0.449 302 R N 1.926 122.433 120.500 0.012 0.000 2.103 302 R HA -0.210 4.132 4.340 0.003 0.000 0.234 302 R C 1.703 178.009 176.300 0.009 0.000 1.132 302 R CA 2.840 58.943 56.100 0.004 0.000 0.925 302 R CB -0.851 29.448 30.300 -0.002 0.000 0.842 302 R HN 0.831 nan 8.270 nan 0.000 0.430 303 N N 0.231 118.934 118.700 0.005 0.000 2.188 303 N HA -0.135 4.607 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 1.511 54.559 53.050 -0.004 0.000 0.858 303 N CB -0.639 37.846 38.487 -0.005 0.000 0.989 303 N HN 0.125 nan 8.380 nan 0.000 0.426 304 D N 0.003 120.396 120.400 -0.012 0.000 2.292 304 D HA -0.139 4.502 4.640 0.003 0.000 0.205 304 D C 0.915 177.187 176.300 -0.048 0.000 0.994 304 D CA 1.044 55.029 54.000 -0.026 0.000 0.897 304 D CB -0.056 40.744 40.800 0.001 0.000 0.907 304 D HN 0.484 nan 8.370 nan 0.000 0.467 305 L N -1.096 120.115 121.223 -0.020 0.000 3.069 305 L HA 0.291 4.633 4.340 0.003 0.000 0.271 305 L C -0.046 176.821 176.870 -0.005 0.000 1.201 305 L CA -0.392 54.440 54.840 -0.014 0.000 1.015 305 L CB 0.336 42.418 42.059 0.039 0.000 1.371 305 L HN -0.139 nan 8.230 nan 0.000 0.574 306 L N 1.259 122.471 121.223 -0.018 0.000 3.746 306 L HA -0.216 4.125 4.340 0.003 0.000 0.542 306 L C -0.349 176.563 176.870 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 4.618 4.340 0.003 0.000 0.255 307 L C 1.106 178.063 176.870 0.145 0.000 1.167 307 L CA -0.244 54.674 54.840 0.130 0.000 1.090 307 L CB 0.010 42.085 42.059 0.027 0.000 1.385 307 L HN 0.281 nan 8.230 nan 0.000 0.411 308 E N 0.560 120.922 120.200 0.270 0.000 2.425 308 E HA 0.206 4.558 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 -0.103 56.420 56.400 0.205 0.000 0.958 308 E CB 0.534 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 0.580 109.472 108.800 0.152 0.000 2.590 309 G HA2 0.067 4.029 3.960 0.003 0.000 0.276 309 G HA3 0.067 4.029 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 -0.161 119.856 119.950 0.110 0.000 2.450 310 F HA 0.197 4.725 4.527 0.001 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 0.518 39.634 39.000 0.193 0.000 1.178 310 F HN 0.624 nan 8.300 nan 0.000 0.585 311 N N 0.647 119.548 118.700 0.335 0.000 2.800 311 N HA -0.279 4.463 4.740 0.003 0.000 0.250 311 N C 0.309 175.921 175.510 0.170 0.000 1.078 311 N CA 0.880 54.067 53.050 0.228 0.000 0.804 311 N CB -1.141 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 -0.812 118.034 118.700 0.242 0.000 2.220 312 N HA 0.046 4.787 4.740 0.003 0.000 0.195 312 N C -0.806 174.655 175.510 -0.081 0.000 1.123 312 N CA 0.274 53.375 53.050 0.084 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 -0.057 120.192 120.300 -0.085 0.000 2.429 313 Y HA 0.266 4.819 4.550 0.004 0.000 0.342 313 Y C 1.228 177.055 175.900 -0.121 0.000 1.004 313 Y CA -0.988 57.032 58.100 -0.134 0.000 1.075 313 Y CB 1.552 39.915 38.460 -0.162 0.000 1.214 313 Y HN -0.147 nan 8.280 nan 0.000 0.455 314 T N 0.380 114.881 114.554 -0.089 0.000 3.081 314 T HA 0.021 4.373 4.350 0.003 0.000 0.250 314 T C 1.091 175.757 174.700 -0.057 0.000 1.100 314 T CA 0.390 62.425 62.100 -0.109 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 1.625 121.562 119.950 -0.022 0.000 2.748 315 F HA 0.330 4.860 4.527 0.006 0.000 0.299 315 F C 0.641 176.403 175.800 -0.062 0.000 1.154 315 F CA -0.737 57.223 58.000 -0.065 0.000 1.446 315 F CB -0.516 38.389 39.000 -0.158 0.000 1.112 315 F HN 0.125 nan 8.300 nan 0.000 0.584 316 L N 0.279 121.581 121.223 0.132 0.000 2.353 316 L HA 0.313 4.654 4.340 0.003 0.000 0.269 316 L C 0.546 177.504 176.870 0.146 0.000 1.085 316 L CA -0.490 54.414 54.840 0.107 0.000 0.938 316 L CB -0.101 41.990 42.059 0.053 0.000 1.312 316 L HN -0.158 nan 8.230 nan 0.000 0.429 317 S N 1.224 117.009 115.700 0.142 0.000 2.584 317 S HA 0.158 4.630 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 -0.671 57.600 58.200 0.119 0.000 1.018 317 S CB 0.302 63.560 63.200 0.097 0.000 0.899 317 S HN 0.774 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 4.534 4.740 0.003 0.000 0.250 318 N C 0.871 176.472 175.510 0.152 0.000 1.117 318 N CA 0.793 53.908 53.050 0.108 0.000 0.719 318 N CB -2.112 36.430 38.487 0.093 0.000 1.081 318 N HN 1.262 nan 8.380 nan 0.000 0.557 319 G N 1.093 109.996 108.800 0.170 0.000 2.632 319 G HA2 -0.395 3.567 3.960 0.003 0.000 0.322 319 G HA3 -0.395 3.567 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 46.313 45.100 0.231 0.000 0.986 319 G HN 0.772 nan 8.290 nan 0.000 0.541 320 H N 0.642 119.838 119.070 0.210 0.000 2.761 320 H HA 0.589 5.148 4.556 0.004 0.000 0.284 320 H C -0.205 175.128 175.328 0.009 0.000 1.105 320 H CA -0.138 56.005 56.048 0.159 0.000 1.352 320 H CB 0.234 29.844 29.762 -0.252 0.000 1.423 320 H HN 0.338 nan 8.280 nan 0.000 0.464 321 V N 8.960 128.907 119.914 0.055 0.000 2.539 321 V HA 0.319 4.441 4.120 0.003 0.000 0.292 321 V C -1.879 174.073 176.094 -0.237 0.000 1.045 321 V CA -1.371 60.922 62.300 -0.011 0.000 0.945 321 V CB 1.779 33.573 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 -0.714 62.331 63.100 -0.092 0.000 0.867 322 P CB 2.042 33.764 31.700 0.036 0.000 1.127 323 I N 2.636 123.118 120.570 -0.147 0.000 2.362 323 I HA 0.376 4.548 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 58.045 61.300 -0.122 0.000 1.158 323 I CB 1.791 39.690 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 0.362 177.647 177.300 -0.024 0.000 1.193 324 P CA 0.637 63.717 63.100 -0.034 0.000 0.765 324 P CB 0.968 32.648 31.700 -0.033 0.000 0.823 325 A N 1.335 124.144 122.820 -0.018 0.000 3.420 325 A HA -0.264 4.057 4.320 0.003 0.000 0.269 325 A C 0.535 178.114 177.584 -0.009 0.000 1.122 325 A CA 1.561 53.594 52.037 -0.007 0.000 1.023 325 A CB -2.394 16.608 19.000 0.004 0.000 1.099 325 A HN 0.685 nan 8.150 nan 0.000 0.860 326 Q N -0.765 119.019 119.800 -0.026 0.000 2.340 326 Q HA 0.587 4.929 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 -0.467 55.313 55.803 -0.038 0.000 0.804 326 Q CB 1.261 29.975 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 0.145 4.486 4.340 0.003 0.000 0.254 327 Q C -0.309 175.607 176.000 -0.140 0.000 1.032 327 Q CA -0.327 55.431 55.803 -0.076 0.000 0.798 327 Q CB 0.909 29.621 28.738 -0.043 0.000 1.210 327 Q HN 0.659 nan 8.270 nan 0.000 0.491 328 D N 3.132 123.434 120.400 -0.162 0.000 2.158 328 D HA -0.205 4.437 4.640 0.003 0.000 0.197 328 D C 0.452 176.648 176.300 -0.174 0.000 0.995 328 D CA 1.511 55.344 54.000 -0.279 0.000 0.846 328 D CB 0.260 41.032 40.800 -0.047 0.000 0.941 328 D HN 0.657 nan 8.370 nan 0.000 0.456 329 D N 1.244 121.615 120.400 -0.047 0.000 2.177 329 D HA -0.222 4.419 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 1.728 55.727 54.000 -0.002 0.000 0.845 329 D CB -0.581 40.221 40.800 0.003 0.000 0.960 329 D HN 0.579 nan 8.370 nan 0.000 0.447 330 E N 0.003 120.194 120.200 -0.015 0.000 2.072 330 E HA -0.119 4.233 4.350 0.003 0.000 0.190 330 E C 1.959 178.554 176.600 -0.008 0.000 0.982 330 E CA 0.568 56.975 56.400 0.012 0.000 0.803 330 E CB -0.289 29.410 29.700 -0.001 0.000 0.755 330 E HN 0.019 nan 8.360 nan 0.000 0.453 331 M N 0.652 120.159 119.600 -0.155 0.000 2.146 331 M HA -0.221 4.261 4.480 0.003 0.000 0.251 331 M C 1.999 178.219 176.300 -0.133 0.000 1.083 331 M CA 1.430 56.537 55.300 -0.322 0.000 1.076 331 M CB -1.120 30.867 32.600 -1.021 0.000 1.332 331 M HN 0.189 nan 8.290 nan 0.000 0.400 332 F N 0.659 120.497 119.950 -0.186 0.000 2.000 332 F HA -0.342 4.187 4.527 0.004 0.000 0.296 332 F C 2.687 178.545 175.800 0.098 0.000 1.159 332 F CA 2.637 60.689 58.000 0.088 0.000 1.183 332 F CB -0.816 38.242 39.000 0.097 0.000 0.959 332 F HN 0.167 nan 8.300 nan 0.000 0.490 333 Q N 0.502 120.461 119.800 0.265 0.000 2.096 333 Q HA -0.295 4.047 4.340 0.003 0.000 0.208 333 Q C 2.175 178.203 176.000 0.046 0.000 0.993 333 Q CA 2.453 58.340 55.803 0.139 0.000 0.862 333 Q CB -0.504 28.317 28.738 0.138 0.000 0.915 333 Q HN 0.587 nan 8.270 nan 0.000 0.416 334 E N -1.338 118.889 120.200 0.046 0.000 2.086 334 E HA -0.274 4.078 4.350 0.003 0.000 0.205 334 E C 1.910 178.513 176.600 0.004 0.000 1.027 334 E CA 2.105 58.522 56.400 0.027 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 -0.688 113.872 114.554 0.009 0.000 2.857 335 T HA -0.086 4.266 4.350 0.003 0.000 0.266 335 T C 1.920 176.559 174.700 -0.103 0.000 1.048 335 T CA 0.443 62.517 62.100 -0.043 0.000 1.139 335 T CB -0.109 68.748 68.868 -0.019 0.000 0.874 335 T HN 0.007 nan 8.240 nan 0.000 0.455 336 L N 1.389 122.529 121.223 -0.139 0.000 1.994 336 L HA -0.026 4.316 4.340 0.003 0.000 0.208 336 L C 2.719 179.556 176.870 -0.054 0.000 1.071 336 L CA 2.083 56.845 54.840 -0.131 0.000 0.745 336 L CB -1.257 40.728 42.059 -0.123 0.000 0.892 336 L HN 0.502 nan 8.230 nan 0.000 0.431 337 E N -0.550 119.632 120.200 -0.030 0.000 2.097 337 E HA -0.253 4.099 4.350 0.003 0.000 0.196 337 E C 2.111 178.681 176.600 -0.051 0.000 1.000 337 E CA 1.358 57.747 56.400 -0.019 0.000 0.804 337 E CB -0.056 29.643 29.700 -0.002 0.000 0.740 337 E HN 0.542 nan 8.360 nan 0.000 0.454 338 A N 1.609 124.386 122.820 -0.072 0.000 1.841 338 A HA -0.243 4.079 4.320 0.003 0.000 0.216 338 A C 2.240 179.717 177.584 -0.177 0.000 1.199 338 A CA 1.789 53.758 52.037 -0.113 0.000 0.621 338 A CB -0.701 18.229 19.000 -0.117 0.000 0.835 338 A HN 0.150 nan 8.150 nan 0.000 0.445 339 M N -0.064 119.419 119.600 -0.195 0.000 2.128 339 M HA -0.257 4.225 4.480 0.003 0.000 0.253 339 M C 2.346 178.494 176.300 -0.254 0.000 1.079 339 M CA 2.540 57.658 55.300 -0.303 0.000 1.082 339 M CB -1.152 31.418 32.600 -0.050 0.000 1.335 339 M HN 0.796 nan 8.290 nan 0.000 0.401 340 T N -0.635 113.857 114.554 -0.104 0.000 2.701 340 T HA -0.093 4.259 4.350 0.003 0.000 0.263 340 T C 1.765 176.417 174.700 -0.080 0.000 1.040 340 T CA 1.096 63.165 62.100 -0.051 0.000 1.147 340 T CB -0.614 68.246 68.868 -0.012 0.000 0.865 340 T HN 0.194 nan 8.240 nan 0.000 0.426 341 I N 0.914 121.428 120.570 -0.093 0.000 2.151 341 I HA -0.164 4.008 4.170 0.003 0.000 0.243 341 I C 2.711 178.753 176.117 -0.124 0.000 1.080 341 I CA 1.561 62.809 61.300 -0.087 0.000 1.339 341 I CB -1.120 36.827 38.000 -0.089 0.000 1.039 341 I HN 0.251 nan 8.210 nan 0.000 0.409 342 M N -0.210 119.262 119.600 -0.213 0.000 2.065 342 M HA -0.155 4.327 4.480 0.003 0.000 0.259 342 M C 1.783 177.959 176.300 -0.207 0.000 1.071 342 M CA 2.367 57.498 55.300 -0.283 0.000 1.109 342 M CB -1.133 31.140 32.600 -0.544 0.000 1.313 342 M HN 0.480 nan 8.290 nan 0.000 0.408 343 G N -3.014 105.674 108.800 -0.188 0.000 3.578 343 G HA2 -0.084 3.878 3.960 0.003 0.000 0.220 343 G HA3 -0.084 3.878 3.960 0.003 0.000 0.220 343 G C -0.255 174.759 174.900 0.192 0.000 0.933 343 G CA -0.619 44.482 45.100 0.001 0.000 0.847 343 G HN 0.204 nan 8.290 nan 0.000 0.612 344 F N 4.002 123.946 119.950 -0.009 0.000 2.506 344 F HA 0.285 4.813 4.527 0.001 0.000 0.387 344 F C 1.494 177.299 175.800 0.008 0.000 1.053 344 F CA -0.184 57.825 58.000 0.015 0.000 1.083 344 F CB -0.929 38.098 39.000 0.044 0.000 1.010 344 F HN -0.116 nan 8.300 nan 0.000 0.551 345 T N 4.788 119.450 114.554 0.179 0.000 2.923 345 T HA -0.098 4.254 4.350 0.003 0.000 0.320 345 T C 1.625 176.368 174.700 0.072 0.000 1.074 345 T CA -0.028 62.125 62.100 0.089 0.000 1.131 345 T CB 0.560 69.454 68.868 0.044 0.000 1.058 345 T HN 0.592 nan 8.240 nan 0.000 0.535 346 E N 3.488 123.721 120.200 0.054 0.000 2.095 346 E HA -0.346 4.006 4.350 0.003 0.000 0.212 346 E C 1.706 178.324 176.600 0.030 0.000 1.044 346 E CA 2.357 58.784 56.400 0.046 0.000 0.857 346 E CB -0.502 29.220 29.700 0.036 0.000 0.764 346 E HN 0.956 nan 8.360 nan 0.000 0.462 347 E N 1.255 121.458 120.200 0.005 0.000 2.158 347 E HA -0.101 4.251 4.350 0.003 0.000 0.191 347 E C 2.033 178.579 176.600 -0.090 0.000 0.982 347 E CA 0.979 57.362 56.400 -0.028 0.000 0.823 347 E CB -0.421 29.261 29.700 -0.030 0.000 0.766 347 E HN 0.458 nan 8.360 nan 0.000 0.468 348 E N 0.683 120.830 120.200 -0.087 0.000 2.394 348 E HA -0.311 4.040 4.350 0.003 0.000 0.202 348 E C 1.631 178.091 176.600 -0.233 0.000 1.029 348 E CA 1.362 57.653 56.400 -0.181 0.000 0.855 348 E CB 0.072 29.737 29.700 -0.058 0.000 0.770 348 E HN 0.511 nan 8.360 nan 0.000 0.527 349 Q N -1.152 118.598 119.800 -0.084 0.000 2.389 349 Q HA -0.038 4.304 4.340 0.003 0.000 0.201 349 Q C 2.359 178.328 176.000 -0.053 0.000 0.956 349 Q CA 1.211 57.004 55.803 -0.016 0.000 0.871 349 Q CB -0.086 28.714 28.738 0.103 0.000 0.990 349 Q HN 0.366 nan 8.270 nan 0.000 0.554 350 T N 0.163 114.705 114.554 -0.020 0.000 2.684 350 T HA -0.283 4.069 4.350 0.003 0.000 0.267 350 T C 2.010 176.685 174.700 -0.041 0.000 1.032 350 T CA 1.960 64.064 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 2.910 118.507 115.700 -0.171 0.000 2.344 351 S HA 0.016 4.488 4.470 0.003 0.000 0.217 351 S C 2.074 176.571 174.600 -0.172 0.000 1.033 351 S CA 1.511 59.561 58.200 -0.249 0.000 1.017 351 S CB -0.771 62.024 63.200 -0.676 0.000 0.941 351 S HN 0.655 nan 8.310 nan 0.000 0.430 352 I N 1.368 121.723 120.570 -0.359 0.000 2.730 352 I HA -0.188 3.983 4.170 0.003 0.000 0.266 352 I C 1.800 177.915 176.117 -0.003 0.000 1.228 352 I CA 0.960 62.181 61.300 -0.132 0.000 1.445 352 I CB -0.760 37.140 38.000 -0.166 0.000 1.102 352 I HN 0.191 nan 8.210 nan 0.000 0.464 353 L N 0.566 121.819 121.223 0.049 0.000 2.200 353 L HA -0.014 4.327 4.340 0.003 0.000 0.200 353 L C 2.818 179.768 176.870 0.134 0.000 1.072 353 L CA 0.631 55.554 54.840 0.139 0.000 0.787 353 L CB -0.432 41.741 42.059 0.189 0.000 0.957 353 L HN 0.177 nan 8.230 nan 0.000 0.459 354 R N 0.054 120.611 120.500 0.096 0.000 2.083 354 R HA -0.129 4.212 4.340 0.003 0.000 0.237 354 R C 1.862 178.224 176.300 0.103 0.000 1.137 354 R CA 1.738 57.890 56.100 0.086 0.000 0.951 354 R CB -1.483 28.852 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 0.111 0.000 2.794 355 V HA -0.198 3.923 4.120 0.003 0.000 0.260 355 V C 2.340 178.510 176.094 0.126 0.000 1.103 355 V CA 1.499 63.852 62.300 0.089 0.000 1.125 355 V CB -0.286 31.558 31.823 0.035 0.000 0.702 355 V HN 0.264 nan 8.190 nan 0.000 0.494 356 V N 0.314 120.330 119.914 0.169 0.000 2.300 356 V HA -0.134 3.987 4.120 0.003 0.000 0.241 356 V C 2.504 178.755 176.094 0.263 0.000 1.034 356 V CA 1.699 64.183 62.300 0.306 0.000 1.021 356 V CB -0.825 31.211 31.823 0.354 0.000 0.662 356 V HN 0.666 nan 8.190 nan 0.000 0.458 357 S N 1.673 117.483 115.700 0.184 0.000 2.374 357 S HA -0.303 4.168 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 1.951 60.238 58.200 0.145 0.000 1.024 357 S CB -0.982 62.290 63.200 0.120 0.000 0.861 357 S HN 0.724 nan 8.310 nan 0.000 0.456 358 S N 2.062 117.837 115.700 0.124 0.000 2.359 358 S HA -0.131 4.340 4.470 0.003 0.000 0.222 358 S C 1.813 176.503 174.600 0.149 0.000 1.038 358 S CA 1.557 59.820 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 1.167 121.191 119.914 0.183 0.000 3.140 359 V HA -0.059 4.062 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 0.454 nan 8.190 nan 0.000 0.523 360 L N -1.895 119.441 121.223 0.188 0.000 2.445 360 L HA 0.088 4.430 4.340 0.003 0.000 0.207 360 L C 2.303 179.325 176.870 0.255 0.000 1.053 360 L CA 0.645 55.654 54.840 0.280 0.000 0.841 360 L CB -0.306 41.813 42.059 0.100 0.000 1.074 360 L HN 0.160 nan 8.230 nan 0.000 0.479 361 Q N 0.599 120.481 119.800 0.137 0.000 2.061 361 Q HA -0.213 4.129 4.340 0.003 0.000 0.204 361 Q C 2.059 178.020 176.000 -0.066 0.000 0.984 361 Q CA 1.786 57.557 55.803 -0.053 0.000 0.846 361 Q CB -0.468 28.241 28.738 -0.049 0.000 0.902 361 Q HN 0.346 nan 8.270 nan 0.000 0.421 362 L N -0.250 121.008 121.223 0.058 0.000 2.671 362 L HA -0.146 4.196 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 41.884 42.059 0.245 0.000 0.956 362 L HN 0.414 nan 8.230 nan 0.000 0.455 363 G N -1.965 106.676 108.800 -0.265 0.000 2.719 363 G HA2 -0.127 3.834 3.960 0.003 0.000 0.211 363 G HA3 -0.127 3.834 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 44.604 45.100 -0.949 0.000 0.790 363 G HN 0.341 nan 8.290 nan 0.000 0.529 364 N N 0.808 119.284 118.700 -0.374 0.000 2.216 364 N HA 0.010 4.752 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 -0.053 52.813 53.050 -0.307 0.000 0.861 364 N CB -0.137 38.173 38.487 -0.295 0.000 0.986 364 N HN 0.259 nan 8.380 nan 0.000 0.428 365 I N 1.909 122.330 120.570 -0.250 0.000 3.089 365 I HA -0.170 4.002 4.170 0.003 0.000 0.321 365 I C -0.130 175.717 176.117 -0.450 0.000 1.222 365 I CA 0.327 61.442 61.300 -0.308 0.000 1.452 365 I CB 0.108 37.987 38.000 -0.201 0.000 1.321 365 I HN -0.171 nan 8.210 nan 0.000 0.539 366 V N 6.827 126.409 119.914 -0.553 0.000 2.881 366 V HA 0.529 4.651 4.120 0.003 0.000 0.316 366 V C -0.606 175.029 176.094 -0.764 0.000 1.070 366 V CA -0.787 61.214 62.300 -0.498 0.000 0.976 366 V CB 1.969 33.647 31.823 -0.242 0.000 1.038 366 V HN 0.397 nan 8.190 nan 0.000 0.446 367 F N 1.179 121.128 119.950 -0.002 0.000 3.090 367 F HA 0.470 4.999 4.527 0.002 0.000 0.381 367 F C -0.127 175.675 175.800 0.003 0.000 1.231 367 F CA -0.819 57.183 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 2.629 123.119 120.400 0.149 0.000 2.234 368 K HA 0.404 4.725 4.320 0.003 0.000 0.282 368 K C 0.292 176.942 176.600 0.084 0.000 1.039 368 K CA -0.590 55.750 56.287 0.088 0.000 0.928 368 K CB 0.916 33.444 32.500 0.045 0.000 1.039 368 K HN 0.393 nan 8.250 nan 0.000 0.470 369 K N 2.132 122.570 120.400 0.064 0.000 2.508 369 K HA -0.111 4.210 4.320 0.003 0.000 0.273 369 K C -0.568 176.053 176.600 0.035 0.000 0.964 369 K CA 0.870 57.184 56.287 0.044 0.000 0.948 369 K CB 0.428 32.947 32.500 0.032 0.000 0.917 369 K HN 0.574 nan 8.250 nan 0.000 0.512 370 E N 2.728 122.943 120.200 0.024 0.000 2.402 370 E HA 0.109 4.461 4.350 0.003 0.000 0.244 370 E C -0.414 176.193 176.600 0.011 0.000 0.945 370 E CA -0.449 55.962 56.400 0.018 0.000 0.774 370 E CB 0.673 30.384 29.700 0.018 0.000 1.296 370 E HN 0.553 nan 8.360 nan 0.000 0.414 371 R N 1.362 121.868 120.500 0.010 0.000 2.377 371 R HA -0.069 4.273 4.340 0.003 0.000 0.207 371 R C 1.088 177.390 176.300 0.004 0.000 1.075 371 R CA 0.776 56.880 56.100 0.007 0.000 1.035 371 R CB -0.105 30.200 30.300 0.007 0.000 0.857 371 R HN 0.270 nan 8.270 nan 0.000 0.475 372 N N -0.059 118.644 118.700 0.005 0.000 2.322 372 N HA -0.078 4.663 4.740 0.003 0.000 0.186 372 N C 1.744 177.255 175.510 0.000 0.000 1.037 372 N CA 1.892 54.944 53.050 0.003 0.000 0.869 372 N CB -0.610 37.879 38.487 0.004 0.000 1.036 372 N HN 0.337 nan 8.380 nan 0.000 0.439 373 T N -2.710 111.844 114.554 -0.000 0.000 3.034 373 T HA 0.110 4.462 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 0.351 62.449 62.100 -0.004 0.000 1.107 373 T CB 0.272 69.137 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 -0.003 0.000 3.082 374 D HA -0.108 4.533 4.640 0.003 0.000 0.216 374 D C -0.523 175.769 176.300 -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 -0.007 0.000 1.096 374 D HN 0.476 nan 8.370 nan 0.000 0.431 375 Q N 0.050 119.843 119.800 -0.012 0.000 2.932 375 Q HA 0.602 4.944 4.340 0.003 0.000 0.248 375 Q C -0.203 175.789 176.000 -0.014 0.000 0.982 375 Q CA -0.066 55.720 55.803 -0.028 0.000 0.730 375 Q CB 1.571 30.286 28.738 -0.038 0.000 1.249 375 Q HN 0.349 nan 8.270 nan 0.000 0.476 376 A N 1.035 123.857 122.820 0.003 0.000 2.653 376 A HA 0.179 4.501 4.320 0.003 0.000 0.227 376 A C 0.398 178.035 177.584 0.088 0.000 1.066 376 A CA 0.824 52.898 52.037 0.060 0.000 0.771 376 A CB 0.311 19.375 19.000 0.107 0.000 0.980 376 A HN 0.542 nan 8.150 nan 0.000 0.507 377 S N -0.376 115.421 115.700 0.162 0.000 2.874 377 S HA 0.680 5.152 4.470 0.003 0.000 0.318 377 S C -0.311 174.477 174.600 0.313 0.000 1.109 377 S CA -0.608 57.710 58.200 0.198 0.000 0.878 377 S CB 0.989 64.249 63.200 0.101 0.000 1.307 377 S HN 0.704 nan 8.310 nan 0.000 0.592 378 M N 2.592 122.324 119.600 0.219 0.000 3.266 378 M HA 0.450 4.931 4.480 0.003 0.000 0.260 378 M C -2.225 174.104 176.300 0.048 0.000 1.319 378 M CA -2.619 52.759 55.300 0.130 0.000 1.412 378 M CB 0.338 33.034 32.600 0.159 0.000 1.113 378 M HN 0.269 nan 8.290 nan 0.000 0.588 379 P HA -0.022 nan 4.420 nan 0.000 0.225 379 P C -0.502 176.789 177.300 -0.015 0.000 1.148 379 P CA 0.986 64.089 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 -1.807 118.571 120.400 -0.036 0.000 2.757 380 D HA 0.142 4.783 4.640 0.003 0.000 0.249 380 D C 0.578 176.852 176.300 -0.043 0.000 1.168 380 D CA -0.543 53.429 54.000 -0.045 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 0.883 119.566 118.700 -0.027 0.000 2.132 381 N HA -0.135 4.606 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 1.843 54.883 53.050 -0.017 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 0.595 115.122 114.554 -0.044 0.000 2.634 382 T HA -0.347 4.005 4.350 0.003 0.000 0.256 382 T C 1.827 176.481 174.700 -0.077 0.000 1.131 382 T CA 2.698 64.764 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 0.275 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 4.449 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 55.283 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 -1.210 121.561 122.820 -0.082 0.000 2.076 384 A HA -0.231 4.091 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 2.114 54.089 52.037 -0.104 0.000 0.653 384 A CB -0.731 18.315 19.000 0.076 0.000 0.801 384 A HN 0.790 nan 8.150 nan 0.000 0.455 385 Q N 0.053 119.813 119.800 -0.068 0.000 2.014 385 Q HA -0.281 4.060 4.340 0.003 0.000 0.207 385 Q C 1.947 177.921 176.000 -0.044 0.000 0.993 385 Q CA 2.252 58.028 55.803 -0.045 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 -0.258 120.110 120.400 -0.052 0.000 1.965 386 K HA -0.126 4.195 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 1.553 57.817 56.287 -0.038 0.000 0.944 386 K CB -0.426 32.030 32.500 -0.073 0.000 0.726 386 K HN 0.069 nan 8.250 nan 0.000 0.441 387 V N 1.587 121.433 119.914 -0.112 0.000 2.257 387 V HA -0.429 3.692 4.120 0.003 0.000 0.257 387 V C 2.401 178.374 176.094 -0.201 0.000 1.077 387 V CA 2.026 64.234 62.300 -0.154 0.000 1.063 387 V CB -0.630 31.060 31.823 -0.221 0.000 0.664 387 V HN 0.518 nan 8.190 nan 0.000 0.450 388 C N -1.038 118.083 119.300 -0.297 0.000 2.422 388 C HA -0.120 4.342 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 0.968 59.814 59.018 -0.287 0.000 1.786 388 C CB -1.590 25.966 27.740 -0.306 0.000 1.835 388 C HN 0.748 nan 8.230 nan 0.000 0.533 389 H N 0.893 119.888 119.070 -0.124 0.000 2.343 389 H HA 0.045 4.602 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 1.433 57.439 56.048 -0.070 0.000 1.359 389 H CB -0.444 29.285 29.762 -0.054 0.000 1.402 389 H HN 0.403 nan 8.280 nan 0.000 0.515 390 L N -0.404 120.897 121.223 0.130 0.000 2.201 390 L HA -0.112 4.230 4.340 0.003 0.000 0.212 390 L C 2.471 179.381 176.870 0.067 0.000 1.105 390 L CA 0.929 55.807 54.840 0.063 0.000 0.775 390 L CB -0.388 41.674 42.059 0.005 0.000 0.913 390 L HN 0.185 nan 8.230 nan 0.000 0.440 391 M N -0.473 119.142 119.600 0.025 0.000 2.595 391 M HA 0.111 4.592 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 0.762 56.064 55.300 0.004 0.000 1.079 391 M CB 0.141 32.705 32.600 -0.061 0.000 1.472 391 M HN 0.343 nan 8.290 nan 0.000 0.501 392 G N 1.615 110.431 108.800 0.028 0.000 2.168 392 G HA2 -0.268 3.693 3.960 0.003 0.000 0.257 392 G HA3 -0.268 3.693 3.960 0.003 0.000 0.257 392 G C 0.262 175.148 174.900 -0.023 0.000 0.997 392 G CA 0.810 45.916 45.100 0.011 0.000 0.708 392 G HN 0.615 nan 8.290 nan 0.000 0.520 393 I N -3.753 116.792 120.570 -0.042 0.000 4.126 393 I HA 0.750 4.921 4.170 0.003 0.000 0.245 393 I C 0.210 176.300 176.117 -0.046 0.000 1.367 393 I CA -1.362 59.913 61.300 -0.042 0.000 1.178 393 I CB 1.293 39.270 38.000 -0.039 0.000 1.495 393 I HN 0.057 nan 8.210 nan 0.000 0.561 394 N N -0.158 118.533 118.700 -0.015 0.000 2.229 394 N HA 0.315 5.057 4.740 0.003 0.000 0.298 394 N C 0.380 175.919 175.510 0.048 0.000 1.114 394 N CA -0.490 52.558 53.050 -0.004 0.000 0.776 394 N CB 2.509 40.998 38.487 0.004 0.000 1.501 394 N HN 0.663 nan 8.380 nan 0.000 0.474 395 V N 1.585 121.516 119.914 0.028 0.000 2.259 395 V HA -0.231 3.890 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 2.629 64.975 62.300 0.078 0.000 0.995 395 V CB -2.121 29.724 31.823 0.037 0.000 0.645 395 V HN 0.912 nan 8.190 nan 0.000 0.468 396 T N -0.062 114.542 114.554 0.084 0.000 2.634 396 T HA -0.453 3.898 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 2.803 64.945 62.100 0.069 0.000 1.149 396 T CB -1.586 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 1.032 121.475 120.400 0.072 0.000 2.095 397 D HA -0.007 4.634 4.640 0.003 0.000 0.192 397 D C 1.636 177.985 176.300 0.083 0.000 0.990 397 D CA 1.475 55.509 54.000 0.057 0.000 0.836 397 D CB -0.620 40.209 40.800 0.048 0.000 0.979 397 D HN 0.388 nan 8.370 nan 0.000 0.447 398 F N 1.783 121.724 119.950 -0.016 0.000 2.039 398 F HA -0.360 4.168 4.527 0.002 0.000 0.296 398 F C 2.282 178.093 175.800 0.018 0.000 1.119 398 F CA 2.426 60.422 58.000 -0.008 0.000 1.211 398 F CB -1.008 37.991 39.000 -0.002 0.000 0.956 398 F HN -0.034 nan 8.300 nan 0.000 0.496 399 T N 1.135 115.798 114.554 0.181 0.000 2.565 399 T HA -0.365 3.987 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 1.874 64.030 62.100 0.093 0.000 1.173 399 T CB -0.782 68.176 68.868 0.150 0.000 0.864 399 T HN 0.347 nan 8.240 nan 0.000 0.425 400 R N 1.325 121.813 120.500 -0.020 0.000 2.132 400 R HA -0.187 4.155 4.340 0.003 0.000 0.233 400 R C 2.676 178.912 176.300 -0.106 0.000 1.125 400 R CA 2.376 58.447 56.100 -0.049 0.000 0.914 400 R CB -0.872 29.411 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 -0.220 4.251 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 1.701 59.802 58.200 -0.165 0.000 1.053 401 S CB -0.407 62.691 63.200 -0.170 0.000 0.886 401 S HN 0.328 nan 8.310 nan 0.000 0.456 402 I N 0.557 120.915 120.570 -0.354 0.000 2.546 402 I HA 0.002 4.174 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 62.040 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 -1.390 119.684 121.223 -0.250 0.000 2.347 403 L HA 0.130 4.471 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 0.650 55.334 54.840 -0.260 0.000 0.817 403 L CB -0.491 41.474 42.059 -0.157 0.000 1.029 403 L HN 0.154 nan 8.230 nan 0.000 0.478 404 T N -0.604 113.874 114.554 -0.126 0.000 2.947 404 T HA 0.387 4.739 4.350 0.003 0.000 0.337 404 T C -2.678 171.970 174.700 -0.088 0.000 1.139 404 T CA -2.311 59.733 62.100 -0.093 0.000 0.992 404 T CB 0.781 69.610 68.868 -0.065 0.000 1.043 404 T HN -0.139 nan 8.240 nan 0.000 0.498 405 P HA 0.149 nan 4.420 nan 0.000 0.268 405 P C 0.283 177.549 177.300 -0.056 0.000 1.282 405 P CA -0.357 62.698 63.100 -0.075 0.000 0.880 405 P CB 0.387 32.045 31.700 -0.069 0.000 0.971 406 R N 3.199 123.667 120.500 -0.052 0.000 4.160 406 R HA 0.042 4.384 4.340 0.003 0.000 0.216 406 R C 1.116 177.395 176.300 -0.034 0.000 2.009 406 R CA -0.412 55.665 56.100 -0.040 0.000 1.664 406 R CB -1.102 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 -1.749 118.801 120.570 -0.034 0.000 3.576 407 I HA -0.051 4.121 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 0.536 61.820 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 2.411 122.801 120.400 -0.017 0.000 2.984 408 K HA 0.337 4.658 4.320 0.003 0.000 0.211 408 K C -1.637 174.956 176.600 -0.013 0.000 1.174 408 K CA -0.455 55.823 56.287 -0.015 0.000 0.978 408 K CB 1.002 33.493 32.500 -0.015 0.000 1.212 408 K HN 0.611 nan 8.250 nan 0.000 0.589 409 V N 1.792 121.699 119.914 -0.012 0.000 2.843 409 V HA 0.153 4.275 4.120 0.003 0.000 0.305 409 V C 1.697 177.783 176.094 -0.012 0.000 1.065 409 V CA 1.374 63.667 62.300 -0.010 0.000 1.116 409 V CB 1.019 32.836 31.823 -0.010 0.000 0.968 409 V HN 0.962 nan 8.190 nan 0.000 0.487 410 G N 5.258 114.050 108.800 -0.014 0.000 2.651 410 G HA2 -0.377 3.585 3.960 0.003 0.000 0.387 410 G HA3 -0.377 3.585 3.960 0.003 0.000 0.387 410 G C 0.585 175.475 174.900 -0.016 0.000 1.291 410 G CA 1.113 46.203 45.100 -0.016 0.000 0.958 410 G HN 0.995 nan 8.290 nan 0.000 0.549 411 R N 1.684 122.175 120.500 -0.015 0.000 2.752 411 R HA 0.372 4.713 4.340 0.003 0.000 0.279 411 R C -0.458 175.834 176.300 -0.013 0.000 1.212 411 R CA 0.634 56.725 56.100 -0.015 0.000 1.169 411 R CB -0.410 29.882 30.300 -0.014 0.000 1.286 411 R HN 0.618 nan 8.270 nan 0.000 0.564 412 D N -0.400 119.991 120.400 -0.013 0.000 2.859 412 D HA 0.069 4.710 4.640 0.003 0.000 0.223 412 D C -0.401 175.891 176.300 -0.014 0.000 1.218 412 D CA -0.888 53.104 54.000 -0.013 0.000 0.850 412 D CB 2.034 42.827 40.800 -0.013 0.000 1.656 412 D HN -0.169 nan 8.370 nan 0.000 0.484 413 V N 1.330 121.235 119.914 -0.015 0.000 2.836 413 V HA 0.000 4.122 4.120 0.003 0.000 0.368 413 V C 0.651 176.735 176.094 -0.017 0.000 1.452 413 V CA -0.420 61.870 62.300 -0.016 0.000 1.586 413 V CB -0.025 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 2.812 122.716 119.914 -0.017 0.000 2.620 414 V HA -0.074 4.048 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 0.305 62.594 62.300 -0.019 0.000 1.196 414 V CB -0.565 31.248 31.823 -0.018 0.000 1.075 414 V HN 0.922 nan 8.190 nan 0.000 0.473 415 Q N 5.505 125.291 119.800 -0.023 0.000 2.288 415 Q HA 0.496 4.838 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 -0.149 55.638 55.803 -0.027 0.000 0.919 415 Q CB 1.088 29.811 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 5.227 4.320 0.003 0.000 0.277 416 K C -1.858 174.711 176.600 -0.052 0.000 1.025 416 K CA -0.743 55.520 56.287 -0.041 0.000 0.900 416 K CB 1.246 33.722 32.500 -0.039 0.000 1.494 416 K HN 0.531 nan 8.250 nan 0.000 0.442 417 A N 1.546 124.332 122.820 -0.056 0.000 2.359 417 A HA 0.435 4.757 4.320 0.003 0.000 0.303 417 A C -1.136 176.401 177.584 -0.079 0.000 1.066 417 A CA -0.828 51.166 52.037 -0.072 0.000 0.730 417 A CB 1.183 20.145 19.000 -0.063 0.000 1.211 417 A HN 0.717 nan 8.150 nan 0.000 0.439 418 Q N 0.456 120.194 119.800 -0.104 0.000 2.414 418 Q HA 0.529 4.871 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 -0.327 55.411 55.803 -0.107 0.000 1.025 418 Q CB 0.350 29.011 28.738 -0.128 0.000 1.196 418 Q HN 0.696 nan 8.270 nan 0.000 0.586 419 T N -0.677 113.821 114.554 -0.093 0.000 2.867 419 T HA 0.138 4.490 4.350 0.003 0.000 0.282 419 T C 0.833 175.488 174.700 -0.075 0.000 1.000 419 T CA -1.109 60.948 62.100 -0.071 0.000 1.042 419 T CB 1.577 70.418 68.868 -0.045 0.000 0.973 419 T HN 0.665 nan 8.240 nan 0.000 0.465 420 K N 1.712 122.083 120.400 -0.048 0.000 2.163 420 K HA -0.402 3.920 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 2.695 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 0.730 120.948 120.200 0.032 0.000 2.026 421 E HA -0.213 4.139 4.350 0.003 0.000 0.206 421 E C 2.288 178.932 176.600 0.074 0.000 1.028 421 E CA 2.261 58.701 56.400 0.068 0.000 0.845 421 E CB -0.396 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 -0.040 119.764 119.800 0.007 0.000 2.217 422 Q HA -0.232 4.110 4.340 0.003 0.000 0.209 422 Q C 2.171 178.160 176.000 -0.019 0.000 0.988 422 Q CA 1.448 57.249 55.803 -0.004 0.000 0.878 422 Q CB -0.408 28.283 28.738 -0.078 0.000 0.909 422 Q HN 0.329 nan 8.270 nan 0.000 0.424 423 A N 0.987 123.712 122.820 -0.158 0.000 2.024 423 A HA -0.224 4.098 4.320 0.003 0.000 0.220 423 A C 1.111 178.588 177.584 -0.178 0.000 1.164 423 A CA 2.013 53.766 52.037 -0.474 0.000 0.643 423 A CB -0.173 18.243 19.000 -0.973 0.000 0.806 423 A HN 0.320 nan 8.150 nan 0.000 0.451 424 D N -2.203 118.272 120.400 0.125 0.000 2.490 424 D HA 0.087 4.729 4.640 0.003 0.000 0.244 424 D C 1.364 177.802 176.300 0.231 0.000 0.979 424 D CA 0.382 54.550 54.000 0.281 0.000 0.924 424 D CB -0.406 40.561 40.800 0.279 0.000 1.075 424 D HN 0.317 nan 8.370 nan 0.000 0.488 425 F N 1.590 121.589 119.950 0.081 0.000 2.271 425 F HA -0.231 4.298 4.527 0.004 0.000 0.302 425 F C 1.726 177.571 175.800 0.074 0.000 1.063 425 F CA 1.245 59.289 58.000 0.074 0.000 1.362 425 F CB 0.027 39.053 39.000 0.043 0.000 1.060 425 F HN -0.030 nan 8.300 nan 0.000 0.521 426 A N 0.098 123.066 122.820 0.248 0.000 1.884 426 A HA 0.026 4.347 4.320 0.003 0.000 0.212 426 A C 2.012 179.664 177.584 0.114 0.000 1.265 426 A CA 0.762 52.895 52.037 0.159 0.000 0.626 426 A CB -1.201 17.861 19.000 0.104 0.000 0.943 426 A HN 0.321 nan 8.150 nan 0.000 0.466 427 I N 0.352 121.020 120.570 0.164 0.000 2.502 427 I HA -0.249 3.923 4.170 0.003 0.000 0.258 427 I C 2.231 178.491 176.117 0.237 0.000 1.172 427 I CA 1.895 63.337 61.300 0.237 0.000 1.430 427 I CB 0.030 38.250 38.000 0.367 0.000 1.086 427 I HN 0.599 nan 8.210 nan 0.000 0.440 428 E N 0.912 121.217 120.200 0.176 0.000 2.022 428 E HA -0.103 4.248 4.350 0.003 0.000 0.190 428 E C 2.024 178.647 176.600 0.038 0.000 0.973 428 E CA 0.960 57.459 56.400 0.164 0.000 0.816 428 E CB -0.300 29.459 29.700 0.098 0.000 0.781 428 E HN 0.401 nan 8.360 nan 0.000 0.456 429 A N 1.184 123.933 122.820 -0.118 0.000 2.277 429 A HA -0.054 4.268 4.320 0.003 0.000 0.208 429 A C 1.834 179.425 177.584 0.012 0.000 1.202 429 A CA 0.754 52.701 52.037 -0.149 0.000 0.762 429 A CB -0.482 18.285 19.000 -0.389 0.000 0.770 429 A HN 0.370 nan 8.150 nan 0.000 0.487 430 L N -1.573 119.702 121.223 0.085 0.000 2.265 430 L HA 0.403 4.744 4.340 0.003 0.000 0.195 430 L C 2.449 179.446 176.870 0.211 0.000 1.083 430 L CA 1.802 56.742 54.840 0.165 0.000 0.798 430 L CB -1.030 41.131 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 4.016 4.320 0.003 0.000 0.217 431 A C 2.384 180.022 177.584 0.089 0.000 1.191 431 A CA 2.475 54.616 52.037 0.174 0.000 0.623 431 A CB -0.935 18.175 19.000 0.184 0.000 0.826 431 A HN 0.631 nan 8.150 nan 0.000 0.444 432 K N -0.186 120.210 120.400 -0.008 0.000 2.144 432 K HA -0.163 4.158 4.320 0.003 0.000 0.209 432 K C 1.748 178.376 176.600 0.045 0.000 1.047 432 K CA 2.036 58.292 56.287 -0.052 0.000 0.927 432 K CB -0.379 32.073 32.500 -0.080 0.000 0.716 432 K HN 0.358 nan 8.250 nan 0.000 0.454 433 A N 0.536 123.407 122.820 0.084 0.000 2.095 433 A HA 0.039 4.361 4.320 0.003 0.000 0.212 433 A C 1.927 179.528 177.584 0.028 0.000 1.162 433 A CA 0.785 52.866 52.037 0.073 0.000 0.753 433 A CB -0.272 18.799 19.000 0.118 0.000 0.840 433 A HN 0.422 nan 8.150 nan 0.000 0.468 434 K N -1.148 119.339 120.400 0.144 0.000 2.211 434 K HA -0.114 4.208 4.320 0.003 0.000 0.203 434 K C 1.550 178.116 176.600 -0.058 0.000 1.050 434 K CA 1.319 57.660 56.287 0.090 0.000 0.945 434 K CB -0.317 32.400 32.500 0.362 0.000 0.732 434 K HN 0.355 nan 8.250 nan 0.000 0.451 435 F N 2.152 122.023 119.950 -0.132 0.000 2.039 435 F HA -0.138 4.388 4.527 -0.002 0.000 0.294 435 F C 2.246 177.903 175.800 -0.238 0.000 1.130 435 F CA 1.928 59.813 58.000 -0.191 0.000 1.189 435 F CB -0.527 38.351 39.000 -0.203 0.000 0.983 435 F HN 0.116 nan 8.300 nan 0.000 0.471 436 E N 0.075 120.211 120.200 -0.106 0.000 2.187 436 E HA -0.291 4.061 4.350 0.003 0.000 0.199 436 E C 2.318 178.768 176.600 -0.250 0.000 1.004 436 E CA 1.115 57.403 56.400 -0.187 0.000 0.813 436 E CB -0.165 29.490 29.700 -0.075 0.000 0.736 436 E HN 0.273 nan 8.360 nan 0.000 0.468 437 R N 0.101 120.402 120.500 -0.331 0.000 2.193 437 R HA -0.132 4.210 4.340 0.003 0.000 0.229 437 R C 2.218 178.281 176.300 -0.394 0.000 1.110 437 R CA 0.474 56.313 56.100 -0.434 0.000 0.988 437 R CB -0.255 29.573 30.300 -0.787 0.000 0.871 437 R HN 0.249 nan 8.270 nan 0.000 0.458 438 L N -0.494 120.463 121.223 -0.444 0.000 2.071 438 L HA -0.014 4.328 4.340 0.003 0.000 0.201 438 L C 1.958 178.650 176.870 -0.296 0.000 1.076 438 L CA 1.307 55.884 54.840 -0.439 0.000 0.755 438 L CB -0.950 40.729 42.059 -0.633 0.000 0.915 438 L HN -0.035 nan 8.230 nan 0.000 0.445 439 F N 0.780 120.386 119.950 -0.573 0.000 2.015 439 F HA -0.321 4.205 4.527 -0.003 0.000 0.297 439 F C 2.617 178.276 175.800 -0.234 0.000 1.141 439 F CA 1.923 59.674 58.000 -0.415 0.000 1.192 439 F CB -0.372 38.334 39.000 -0.490 0.000 0.957 439 F HN 0.033 nan 8.300 nan 0.000 0.491 440 R N -0.649 119.818 120.500 -0.055 0.000 2.185 440 R HA -0.270 4.072 4.340 0.003 0.000 0.247 440 R C 1.941 178.146 176.300 -0.159 0.000 1.159 440 R CA 1.805 57.837 56.100 -0.114 0.000 0.988 440 R CB -1.631 28.636 30.300 -0.054 0.000 0.871 440 R HN 0.620 nan 8.270 nan 0.000 0.458 441 W N 1.083 122.202 121.300 -0.301 0.000 2.452 441 W HA -0.074 4.587 4.660 0.002 0.000 0.313 441 W C 1.916 178.288 176.519 -0.245 0.000 1.176 441 W CA 0.774 57.962 57.345 -0.261 0.000 1.350 441 W CB -0.241 29.052 29.460 -0.278 0.000 1.148 441 W HN -0.167 nan 8.180 nan 0.000 0.498 442 I N 1.020 121.584 120.570 -0.010 0.000 2.091 442 I HA -0.342 3.830 4.170 0.003 0.000 0.239 442 I C 2.506 178.453 176.117 -0.282 0.000 1.061 442 I CA 1.730 62.959 61.300 -0.119 0.000 1.317 442 I CB -1.824 36.252 38.000 0.127 0.000 1.031 442 I HN 0.141 nan 8.210 nan 0.000 0.401 443 L N 0.591 121.567 121.223 -0.413 0.000 2.197 443 L HA -0.261 4.081 4.340 0.003 0.000 0.215 443 L C 2.239 178.922 176.870 -0.312 0.000 1.095 443 L CA 2.000 56.587 54.840 -0.420 0.000 0.764 443 L CB -0.344 41.376 42.059 -0.565 0.000 0.897 443 L HN 0.396 nan 8.230 nan 0.000 0.436 444 T N -3.745 110.588 114.554 -0.368 0.000 3.060 444 T HA 0.063 4.415 4.350 0.003 0.000 0.249 444 T C 1.874 176.346 174.700 -0.381 0.000 1.079 444 T CA -0.237 61.661 62.100 -0.335 0.000 1.013 444 T CB 0.095 68.766 68.868 -0.328 0.000 0.975 444 T HN 0.097 nan 8.240 nan 0.000 0.518 445 R N 1.073 121.285 120.500 -0.480 0.000 2.090 445 R HA 0.277 4.619 4.340 0.003 0.000 0.219 445 R C 2.332 178.598 176.300 -0.057 0.000 1.100 445 R CA 0.320 56.183 56.100 -0.396 0.000 0.991 445 R CB -1.062 28.790 30.300 -0.747 0.000 0.893 445 R HN 0.292 nan 8.270 nan 0.000 0.443 446 V N 2.047 121.940 119.914 -0.034 0.000 2.237 446 V HA -0.220 3.902 4.120 0.003 0.000 0.245 446 V C 1.964 177.995 176.094 -0.104 0.000 1.046 446 V CA 1.708 63.965 62.300 -0.070 0.000 1.007 446 V CB -0.509 31.250 31.823 -0.106 0.000 0.638 446 V HN 0.346 nan 8.190 nan 0.000 0.445 447 N N -0.126 118.496 118.700 -0.130 0.000 2.588 447 N HA -0.182 4.559 4.740 0.003 0.000 0.190 447 N C 1.691 177.135 175.510 -0.111 0.000 1.094 447 N CA 1.005 53.983 53.050 -0.121 0.000 0.921 447 N CB -0.102 38.304 38.487 -0.133 0.000 0.959 447 N HN 0.436 nan 8.380 nan 0.000 0.448 448 K N 0.106 120.437 120.400 -0.115 0.000 2.305 448 K HA 0.150 4.471 4.320 0.003 0.000 0.199 448 K C 1.596 178.154 176.600 -0.071 0.000 1.047 448 K CA 0.658 56.885 56.287 -0.099 0.000 0.976 448 K CB 0.143 32.573 32.500 -0.116 0.000 0.765 448 K HN 0.059 nan 8.250 nan 0.000 0.474 449 A N 0.255 123.034 122.820 -0.068 0.000 1.920 449 A HA 0.142 4.463 4.320 0.003 0.000 0.209 449 A C 1.682 179.229 177.584 -0.062 0.000 1.229 449 A CA 0.257 52.260 52.037 -0.058 0.000 0.671 449 A CB -0.385 18.579 19.000 -0.060 0.000 0.886 449 A HN 0.211 nan 8.150 nan 0.000 0.461 450 L N -0.057 121.122 121.223 -0.074 0.000 2.551 450 L HA -0.050 4.292 4.340 0.003 0.000 0.230 450 L C 0.405 177.234 176.870 -0.069 0.000 1.163 450 L CA 0.898 55.693 54.840 -0.074 0.000 0.826 450 L CB -0.741 41.268 42.059 -0.083 0.000 0.943 450 L HN 0.395 nan 8.230 nan 0.000 0.452 459 S N -0.152 115.663 115.700 0.192 0.000 2.599 459 S HA 0.870 5.342 4.470 0.003 0.000 0.287 459 S C -0.783 173.999 174.600 0.302 0.000 1.105 459 S CA -0.378 57.965 58.200 0.237 0.000 0.899 459 S CB 1.870 65.210 63.200 0.233 0.000 1.100 459 S HN 1.508 nan 8.310 nan 0.000 0.482 460 F N -0.151 119.868 119.950 0.115 0.000 2.591 460 F HA 0.823 5.346 4.527 -0.006 0.000 0.309 460 F C -1.851 174.005 175.800 0.094 0.000 1.098 460 F CA -1.264 56.742 58.000 0.009 0.000 0.937 460 F CB 1.003 39.992 39.000 -0.017 0.000 1.250 460 F HN 0.606 nan 8.300 nan 0.000 0.447 461 L N 3.207 124.488 121.223 0.096 0.000 2.307 461 L HA 0.861 5.203 4.340 0.003 0.000 0.284 461 L C -0.068 176.831 176.870 0.048 0.000 1.023 461 L CA -0.350 54.519 54.840 0.048 0.000 0.810 461 L CB 1.694 43.917 42.059 0.273 0.000 1.231 461 L HN 1.014 nan 8.230 nan 0.000 0.423 462 G N 5.916 114.693 108.800 -0.039 0.000 2.370 462 G HA2 0.599 4.560 3.960 0.003 0.000 0.317 462 G HA3 0.599 4.560 3.960 0.003 0.000 0.317 462 G C -0.882 173.878 174.900 -0.233 0.000 1.162 462 G CA -0.414 44.610 45.100 -0.127 0.000 0.922 462 G HN 0.533 nan 8.290 nan 0.000 0.454 463 I N 2.673 123.020 120.570 -0.371 0.000 2.355 463 I HA 0.261 4.433 4.170 0.003 0.000 0.288 463 I C -0.773 175.209 176.117 -0.225 0.000 0.999 463 I CA -0.786 60.381 61.300 -0.221 0.000 1.163 463 I CB 1.924 39.838 38.000 -0.144 0.000 1.316 463 I HN 0.221 nan 8.210 nan 0.000 0.454 464 L N 6.738 127.924 121.223 -0.063 0.000 2.280 464 L HA 0.450 4.791 4.340 0.003 0.000 0.287 464 L C -0.586 176.323 176.870 0.064 0.000 1.023 464 L CA 0.045 54.937 54.840 0.086 0.000 0.819 464 L CB 1.095 43.286 42.059 0.219 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 0.083 0.000 2.479 465 D HA 0.301 4.942 4.640 0.003 0.000 0.247 465 D C -0.274 176.053 176.300 0.046 0.000 1.119 465 D CA -0.427 53.596 54.000 0.038 0.000 0.922 465 D CB 0.084 40.892 40.800 0.013 0.000 1.014 465 D HN 0.426 nan 8.370 nan 0.000 0.510 466 I N -0.104 120.477 120.570 0.019 0.000 2.970 466 I HA 0.737 4.909 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 -1.195 60.096 61.300 -0.016 0.000 1.228 466 I CB 1.022 38.989 38.000 -0.055 0.000 1.433 466 I HN 0.242 nan 8.210 nan 0.000 0.573 467 A N 2.409 125.203 122.820 -0.043 0.000 2.401 467 A HA 0.652 4.973 4.320 0.003 0.000 0.259 467 A C 0.463 178.038 177.584 -0.014 0.000 1.103 467 A CA -0.049 51.960 52.037 -0.047 0.000 0.789 467 A CB -0.425 18.546 19.000 -0.048 0.000 1.035 467 A HN 1.108 nan 8.150 nan 0.000 0.491 468 G N 0.290 109.092 108.800 0.004 0.000 2.444 468 G HA2 0.432 4.394 3.960 0.003 0.000 0.268 468 G HA3 0.432 4.394 3.960 0.003 0.000 0.268 468 G C -0.164 174.789 174.900 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 1.558 121.508 119.950 -0.001 0.000 2.460 469 F HA 0.005 4.521 4.527 -0.017 0.000 0.413 469 F C 1.122 176.874 175.800 -0.080 0.000 0.967 469 F CA 0.771 58.770 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 7.390 127.432 120.200 -0.263 0.000 2.272 470 E HA 0.560 4.912 4.350 0.003 0.000 0.269 470 E C -1.191 175.070 176.600 -0.565 0.000 0.877 470 E CA -1.065 55.103 56.400 -0.387 0.000 0.755 470 E CB 2.311 31.814 29.700 -0.329 0.000 1.192 470 E HN 0.654 nan 8.360 nan 0.000 0.422 471 I N 2.370 122.531 120.570 -0.682 0.000 2.603 471 I HA 0.310 4.481 4.170 0.003 0.000 0.276 471 I C -1.577 174.255 176.117 -0.476 0.000 1.133 471 I CA -0.732 60.264 61.300 -0.506 0.000 1.070 471 I CB 0.202 38.030 38.000 -0.287 0.000 1.215 471 I HN 0.522 nan 8.210 nan 0.000 0.487 472 F N 3.701 123.600 119.950 -0.084 0.000 2.407 472 F HA 0.485 5.012 4.527 -0.000 0.000 0.181 472 F C 1.683 177.443 175.800 -0.065 0.000 0.769 472 F CA -0.031 57.933 58.000 -0.061 0.000 1.031 472 F CB -0.253 38.725 39.000 -0.037 0.000 2.270 472 F HN 0.291 nan 8.300 nan 0.000 0.702 473 E N 0.587 120.919 120.200 0.219 0.000 2.052 473 E HA 0.170 4.522 4.350 0.003 0.000 0.192 473 E C 0.567 177.211 176.600 0.074 0.000 0.958 473 E CA 0.604 57.059 56.400 0.092 0.000 0.835 473 E CB -0.506 29.238 29.700 0.073 0.000 0.811 473 E HN 0.329 nan 8.360 nan 0.000 0.462 474 I N 2.455 123.084 120.570 0.099 0.000 2.347 474 I HA 0.169 4.340 4.170 0.003 0.000 0.294 474 I C -0.033 176.172 176.117 0.147 0.000 1.090 474 I CA -0.219 61.143 61.300 0.104 0.000 1.314 474 I CB 0.059 38.119 38.000 0.098 0.000 1.423 474 I HN -0.236 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 4.860 4.740 0.003 0.000 0.279 475 N C 0.243 176.009 175.510 0.428 0.000 1.213 475 N CA 0.078 53.209 53.050 0.134 0.000 1.138 475 N CB 0.683 39.034 38.487 -0.226 0.000 1.417 475 N HN 0.635 nan 8.380 nan 0.000 0.526 476 S N 0.273 116.218 115.700 0.407 0.000 2.658 476 S HA 0.029 4.500 4.470 0.003 0.000 0.249 476 S C 1.466 176.394 174.600 0.546 0.000 1.363 476 S CA -0.333 58.189 58.200 0.536 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 4.463 4.527 0.014 0.000 0.297 477 F C 2.073 177.687 175.800 -0.309 0.000 1.123 477 F CA 2.384 59.962 58.000 -0.704 0.000 1.199 477 F CB -1.398 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 0.284 120.364 120.200 -0.201 0.000 2.095 478 E HA -0.333 4.018 4.350 0.003 0.000 0.212 478 E C 2.013 178.523 176.600 -0.151 0.000 1.044 478 E CA 2.328 58.589 56.400 -0.231 0.000 0.857 478 E CB -0.722 28.941 29.700 -0.060 0.000 0.764 478 E HN 0.411 nan 8.360 nan 0.000 0.462 479 Q N -0.299 119.528 119.800 0.045 0.000 2.248 479 Q HA -0.128 4.214 4.340 0.003 0.000 0.208 479 Q C 2.028 178.157 176.000 0.214 0.000 0.984 479 Q CA 0.928 56.809 55.803 0.130 0.000 0.875 479 Q CB -0.242 28.630 28.738 0.222 0.000 0.910 479 Q HN 0.285 nan 8.270 nan 0.000 0.433 480 L N -0.785 120.510 121.223 0.119 0.000 2.044 480 L HA -0.116 4.225 4.340 0.003 0.000 0.205 480 L C 1.722 178.513 176.870 -0.133 0.000 1.075 480 L CA 1.666 56.439 54.840 -0.111 0.000 0.747 480 L CB -0.556 41.267 42.059 -0.394 0.000 0.903 480 L HN 0.296 nan 8.230 nan 0.000 0.435 481 C N -0.730 118.377 119.300 -0.322 0.000 2.457 481 C HA 0.015 4.477 4.460 0.003 0.000 0.278 481 C C 2.650 177.614 174.990 -0.043 0.000 1.309 481 C CA 0.173 59.093 59.018 -0.163 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 2.117 122.606 120.570 -0.136 0.000 2.113 482 I HA -0.215 3.956 4.170 0.003 0.000 0.238 482 I C 1.970 178.038 176.117 -0.083 0.000 1.070 482 I CA 1.774 63.011 61.300 -0.105 0.000 1.332 482 I CB -0.369 37.573 38.000 -0.096 0.000 1.044 482 I HN 0.314 nan 8.210 nan 0.000 0.402 483 N N -0.508 118.118 118.700 -0.123 0.000 2.573 483 N HA -0.202 4.540 4.740 0.003 0.000 0.187 483 N C 1.363 176.771 175.510 -0.171 0.000 1.107 483 N CA 0.538 53.436 53.050 -0.253 0.000 0.918 483 N CB -0.214 37.961 38.487 -0.520 0.000 0.966 483 N HN 0.420 nan 8.380 nan 0.000 0.448 484 Y N 1.317 121.517 120.300 -0.167 0.000 2.138 484 Y HA -0.085 4.476 4.550 0.019 0.000 0.286 484 Y C 2.093 177.948 175.900 -0.074 0.000 1.115 484 Y CA 1.446 59.484 58.100 -0.104 0.000 1.105 484 Y CB -0.924 37.519 38.460 -0.028 0.000 1.004 484 Y HN 0.012 nan 8.280 nan 0.000 0.494 485 T N 1.118 115.471 114.554 -0.336 0.000 2.665 485 T HA -0.266 4.085 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 1.840 63.701 62.100 -0.398 0.000 1.151 485 T CB -0.683 68.072 68.868 -0.188 0.000 0.862 485 T HN 0.466 nan 8.240 nan 0.000 0.438 486 N N 0.727 119.345 118.700 -0.137 0.000 2.061 486 N HA -0.186 4.556 4.740 0.003 0.000 0.193 486 N C 2.121 177.437 175.510 -0.323 0.000 1.030 486 N CA 1.630 54.645 53.050 -0.058 0.000 0.856 486 N CB -0.180 38.452 38.487 0.241 0.000 1.023 486 N HN 0.544 nan 8.380 nan 0.000 0.424 487 E N 1.279 121.274 120.200 -0.343 0.000 2.106 487 E HA -0.109 4.243 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 0.962 57.053 56.400 -0.516 0.000 0.806 487 E CB 0.205 29.814 29.700 -0.152 0.000 0.750 487 E HN 0.083 nan 8.360 nan 0.000 0.458 488 K N 0.360 120.570 120.400 -0.318 0.000 1.973 488 K HA -0.156 4.165 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 57.177 56.287 -0.283 0.000 0.937 488 K CB -0.759 31.460 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 4.062 4.340 0.003 0.000 0.216 489 L C 2.535 179.377 176.870 -0.047 0.000 1.074 489 L CA 2.102 56.894 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 -0.173 119.528 119.800 -0.166 0.000 2.062 490 Q HA -0.331 4.010 4.340 0.003 0.000 0.209 490 Q C 2.302 178.292 176.000 -0.017 0.000 0.996 490 Q CA 2.710 58.425 55.803 -0.147 0.000 0.859 490 Q CB -0.651 27.861 28.738 -0.377 0.000 0.920 490 Q HN 0.618 nan 8.270 nan 0.000 0.415 491 Q N -0.613 119.159 119.800 -0.047 0.000 2.197 491 Q HA -0.161 4.181 4.340 0.003 0.000 0.207 491 Q C 1.772 177.828 176.000 0.094 0.000 0.984 491 Q CA 1.642 57.472 55.803 0.045 0.000 0.869 491 Q CB -0.616 28.136 28.738 0.024 0.000 0.906 491 Q HN 0.525 nan 8.270 nan 0.000 0.426 492 L N -0.289 120.980 121.223 0.076 0.000 2.017 492 L HA -0.094 4.247 4.340 0.003 0.000 0.208 492 L C 2.029 178.998 176.870 0.165 0.000 1.073 492 L CA 2.030 56.946 54.840 0.127 0.000 0.745 492 L CB -1.355 40.796 42.059 0.153 0.000 0.894 492 L HN 0.429 nan 8.230 nan 0.000 0.432 493 F N 0.852 120.751 119.950 -0.085 0.000 2.161 493 F HA -0.236 4.297 4.527 0.010 0.000 0.300 493 F C 2.238 177.837 175.800 -0.335 0.000 1.089 493 F CA 2.115 59.831 58.000 -0.474 0.000 1.282 493 F CB -0.493 37.940 39.000 -0.944 0.000 1.010 493 F HN 0.331 nan 8.300 nan 0.000 0.485 494 N N -1.097 117.593 118.700 -0.017 0.000 2.120 494 N HA -0.241 4.500 4.740 0.003 0.000 0.188 494 N C 1.639 177.178 175.510 0.049 0.000 1.024 494 N CA 1.368 54.492 53.050 0.124 0.000 0.852 494 N CB -0.497 38.157 38.487 0.278 0.000 1.003 494 N HN 0.408 nan 8.380 nan 0.000 0.424 495 H N 1.103 120.157 119.070 -0.028 0.000 2.261 495 H HA -0.052 4.505 4.556 0.002 0.000 0.301 495 H C 2.091 177.351 175.328 -0.113 0.000 1.067 495 H CA 2.539 58.579 56.048 -0.013 0.000 1.297 495 H CB -0.327 29.441 29.762 0.009 0.000 1.377 495 H HN 0.180 nan 8.280 nan 0.000 0.492 496 T N -1.407 113.145 114.554 -0.003 0.000 2.929 496 T HA -0.178 4.174 4.350 0.003 0.000 0.271 496 T C 1.916 176.396 174.700 -0.367 0.000 1.085 496 T CA 1.466 63.502 62.100 -0.106 0.000 1.125 496 T CB -0.149 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 0.065 119.229 119.600 -0.728 0.000 2.325 497 M HA 0.344 4.825 4.480 0.003 0.000 0.265 497 M C 0.995 176.608 176.300 -1.145 0.000 1.094 497 M CA 1.053 55.622 55.300 -1.219 0.000 1.161 497 M CB -0.071 31.152 32.600 -2.295 0.000 1.358 497 M HN 0.320 nan 8.290 nan 0.000 0.446 498 F N -1.866 117.841 119.950 -0.405 0.000 2.532 498 F HA 0.301 4.829 4.527 0.002 0.000 0.278 498 F C 1.834 177.549 175.800 -0.141 0.000 0.975 498 F CA -0.072 57.748 58.000 -0.299 0.000 1.292 498 F CB -0.739 38.104 39.000 -0.261 0.000 1.112 498 F HN -0.149 nan 8.300 nan 0.000 0.703 499 I N 0.913 121.507 120.570 0.039 0.000 2.045 499 I HA -0.315 3.857 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 1.747 63.004 61.300 -0.070 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 4.060 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 56.647 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 0.225 120.269 120.200 -0.260 0.000 2.086 501 E HA -0.312 4.040 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 1.829 57.961 56.400 -0.445 0.000 0.812 501 E CB -0.105 29.357 29.700 -0.396 0.000 0.743 501 E HN 0.403 nan 8.360 nan 0.000 0.453 502 Q N -0.529 119.081 119.800 -0.316 0.000 2.230 502 Q HA -0.110 4.232 4.340 0.003 0.000 0.202 502 Q C 1.992 177.967 176.000 -0.041 0.000 0.963 502 Q CA 1.174 56.897 55.803 -0.133 0.000 0.866 502 Q CB 0.108 29.008 28.738 0.271 0.000 0.931 502 Q HN 0.396 nan 8.270 nan 0.000 0.452 503 E N 0.555 120.732 120.200 -0.039 0.000 2.038 503 E HA -0.261 4.091 4.350 0.003 0.000 0.195 503 E C 1.827 178.396 176.600 -0.052 0.000 1.000 503 E CA 1.404 57.807 56.400 0.005 0.000 0.803 503 E CB -0.083 29.617 29.700 -0.001 0.000 0.750 503 E HN 0.351 nan 8.360 nan 0.000 0.448 504 E N 0.438 120.546 120.200 -0.152 0.000 2.204 504 E HA -0.201 4.150 4.350 0.003 0.000 0.195 504 E C 1.739 178.256 176.600 -0.137 0.000 0.990 504 E CA 0.942 57.276 56.400 -0.110 0.000 0.821 504 E CB -0.206 29.437 29.700 -0.095 0.000 0.750 504 E HN 0.235 nan 8.360 nan 0.000 0.477 505 Y N 0.628 120.727 120.300 -0.335 0.000 2.181 505 Y HA -0.112 4.441 4.550 0.004 0.000 0.288 505 Y C 2.377 178.103 175.900 -0.291 0.000 1.146 505 Y CA 1.375 59.110 58.100 -0.609 0.000 1.164 505 Y CB -0.873 37.059 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 4.188 4.340 0.003 0.000 0.202 506 Q C 2.446 178.468 176.000 0.037 0.000 0.984 506 Q CA 1.588 57.442 55.803 0.085 0.000 0.837 506 Q CB -0.168 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 0.264 120.779 120.500 0.026 0.000 2.143 507 R HA -0.212 4.129 4.340 0.003 0.000 0.239 507 R C 2.051 178.370 176.300 0.031 0.000 1.126 507 R CA 1.703 57.819 56.100 0.026 0.000 0.927 507 R CB -0.399 29.915 30.300 0.024 0.000 0.860 507 R HN 0.286 nan 8.270 nan 0.000 0.433 508 E N -0.584 119.643 120.200 0.045 0.000 2.333 508 E HA -0.077 4.275 4.350 0.003 0.000 0.198 508 E C 0.853 177.473 176.600 0.033 0.000 1.007 508 E CA 1.004 57.448 56.400 0.073 0.000 0.845 508 E CB -0.178 29.664 29.700 0.238 0.000 0.766 508 E HN 0.638 nan 8.360 nan 0.000 0.507 509 G N 2.174 110.975 108.800 0.002 0.000 2.324 509 G HA2 -0.271 3.691 3.960 0.003 0.000 0.292 509 G HA3 -0.271 3.691 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 0.611 4.783 4.170 0.003 0.000 0.310 510 I C 0.841 176.914 176.117 -0.072 0.000 0.990 510 I CA -1.278 59.930 61.300 -0.153 0.000 1.228 510 I CB 1.050 38.792 38.000 -0.431 0.000 1.406 510 I HN 0.171 nan 8.210 nan 0.000 0.534 511 E N 5.150 125.313 120.200 -0.061 0.000 1.939 511 E HA -0.038 4.314 4.350 0.003 0.000 0.259 511 E C -1.656 174.986 176.600 0.070 0.000 1.259 511 E CA -0.085 56.317 56.400 0.003 0.000 0.971 511 E CB 0.324 30.024 29.700 0.001 0.000 1.055 511 E HN 0.647 nan 8.360 nan 0.000 0.420 512 W N 5.889 127.112 121.300 -0.129 0.000 3.372 512 W HA 0.250 4.911 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 1.160 30.477 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 0.373 5.115 4.740 0.003 0.000 0.302 513 N C -0.963 174.037 175.510 -0.850 0.000 1.074 513 N CA -0.539 52.170 53.050 -0.569 0.000 0.850 513 N CB 2.475 40.734 38.487 -0.379 0.000 1.228 513 N HN 0.250 nan 8.380 nan 0.000 0.491 514 F N 1.273 121.048 119.950 -0.292 0.000 2.535 514 F HA 0.337 4.865 4.527 0.002 0.000 0.332 514 F C -0.450 175.271 175.800 -0.131 0.000 1.208 514 F CA 0.127 58.122 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 3.498 123.527 120.570 -0.901 0.000 2.548 515 I HA 0.155 4.326 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 60.393 61.300 -0.676 0.000 1.049 515 I CB 1.657 39.288 38.000 -0.615 0.000 1.232 515 I HN 0.375 nan 8.210 nan 0.000 0.429 516 D N 5.486 125.719 120.400 -0.278 0.000 2.411 516 D HA 0.273 4.915 4.640 0.003 0.000 0.225 516 D C 0.516 176.649 176.300 -0.279 0.000 1.156 516 D CA 0.037 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 1.526 121.375 119.950 -0.168 0.000 2.802 517 F HA 0.175 4.706 4.527 0.006 0.000 0.300 517 F C 2.011 177.656 175.800 -0.259 0.000 1.168 517 F CA 0.240 58.052 58.000 -0.314 0.000 1.433 517 F CB -0.153 38.388 39.000 -0.765 0.000 1.115 517 F HN 0.549 nan 8.300 nan 0.000 0.582 518 G N 1.955 110.745 108.800 -0.016 0.000 2.352 518 G HA2 -0.280 3.681 3.960 0.003 0.000 0.283 518 G HA3 -0.280 3.681 3.960 0.003 0.000 0.283 518 G C -0.392 174.498 174.900 -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 1.608 122.813 121.223 -0.030 0.000 2.514 519 L HA 0.437 4.778 4.340 0.003 0.000 0.257 519 L C -0.851 176.066 176.870 0.078 0.000 1.101 519 L CA -0.632 54.203 54.840 -0.009 0.000 0.911 519 L CB 1.420 43.391 42.059 -0.146 0.000 1.162 519 L HN 0.384 nan 8.230 nan 0.000 0.477 520 D N 3.062 123.522 120.400 0.099 0.000 2.934 520 D HA 0.432 5.073 4.640 0.003 0.000 0.230 520 D C -0.180 176.197 176.300 0.128 0.000 1.204 520 D CA -0.343 53.730 54.000 0.122 0.000 0.873 520 D CB 2.577 43.449 40.800 0.120 0.000 1.645 520 D HN 0.377 nan 8.370 nan 0.000 0.502 521 L N 2.044 123.345 121.223 0.130 0.000 3.184 521 L HA 0.201 4.542 4.340 0.003 0.000 0.283 521 L C 1.721 178.680 176.870 0.147 0.000 1.218 521 L CA -0.450 54.474 54.840 0.141 0.000 1.028 521 L CB 0.442 42.570 42.059 0.116 0.000 1.400 521 L HN 0.217 nan 8.230 nan 0.000 0.591 522 Q N 2.087 121.970 119.800 0.139 0.000 2.082 522 Q HA -0.149 4.192 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 2.616 58.502 55.803 0.138 0.000 0.868 522 Q CB -1.217 27.596 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 1.731 64.983 63.100 0.252 0.000 0.941 523 P CB -0.682 31.171 31.700 0.254 0.000 0.787 524 C N -1.093 118.362 119.300 0.258 0.000 2.399 524 C HA -0.117 4.345 4.460 0.003 0.000 0.296 524 C C 2.630 177.762 174.990 0.236 0.000 1.415 524 C CA 0.480 59.632 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 -0.223 120.487 120.570 0.233 0.000 2.628 525 I HA 0.005 4.176 4.170 0.003 0.000 0.255 525 I C 2.372 178.609 176.117 0.201 0.000 1.119 525 I CA 0.575 62.028 61.300 0.255 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 4.108 4.350 0.003 0.000 0.194 526 E C 2.246 178.958 176.600 0.186 0.000 0.997 526 E CA 1.179 57.686 56.400 0.179 0.000 0.801 526 E CB -0.757 29.057 29.700 0.190 0.000 0.746 526 E HN 0.466 nan 8.360 nan 0.000 0.450 527 L N 0.422 121.792 121.223 0.244 0.000 2.450 527 L HA -0.115 4.227 4.340 0.003 0.000 0.225 527 L C 1.980 178.919 176.870 0.114 0.000 1.145 527 L CA 0.955 55.887 54.840 0.153 0.000 0.801 527 L CB 0.051 41.979 42.059 -0.218 0.000 0.924 527 L HN 0.127 nan 8.230 nan 0.000 0.447 528 I N -3.054 117.565 120.570 0.082 0.000 4.779 528 I HA 0.003 4.175 4.170 0.003 0.000 0.339 528 I C 1.561 177.603 176.117 -0.125 0.000 1.293 528 I CA 0.054 61.351 61.300 -0.005 0.000 1.324 528 I CB 0.367 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 1.509 121.686 120.200 -0.038 0.000 2.121 529 E HA 0.045 4.397 4.350 0.003 0.000 0.194 529 E C 1.047 177.665 176.600 0.031 0.000 0.940 529 E CA -0.450 55.940 56.400 -0.017 0.000 0.884 529 E CB 0.138 29.909 29.700 0.118 0.000 0.874 529 E HN 0.224 nan 8.360 nan 0.000 0.471 530 R N 1.883 122.420 120.500 0.062 0.000 2.547 530 R HA -0.054 4.287 4.340 0.003 0.000 0.269 530 R C -2.103 174.224 176.300 0.045 0.000 0.968 530 R CA 0.054 56.189 56.100 0.057 0.000 1.101 530 R CB 0.570 30.912 30.300 0.070 0.000 0.898 530 R HN 0.107 nan 8.270 nan 0.000 0.416 531 P HA 0.117 nan 4.420 nan 0.000 0.190 531 P C -0.392 176.928 177.300 0.033 0.000 1.151 531 P CA 0.331 63.451 63.100 0.034 0.000 0.838 531 P CB -0.507 31.211 31.700 0.030 0.000 0.704 532 T N -1.025 113.546 114.554 0.029 0.000 2.640 532 T HA 0.119 4.471 4.350 0.003 0.000 0.316 532 T C 0.658 175.372 174.700 0.024 0.000 1.036 532 T CA -0.178 61.937 62.100 0.025 0.000 1.009 532 T CB -0.945 67.936 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 4.612 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 0.104 53.163 53.050 0.015 0.000 1.347 533 N CB -2.084 36.413 38.487 0.017 0.000 0.808 533 N HN 0.554 nan 8.380 nan 0.000 0.362 534 P HA 0.038 nan 4.420 nan 0.000 0.245 534 P C -2.191 175.129 177.300 0.034 0.000 1.123 534 P CA 0.003 63.113 63.100 0.017 0.000 0.853 534 P CB -0.720 30.989 31.700 0.015 0.000 0.786 535 P HA 0.088 nan 4.420 nan 0.000 0.270 535 P C 0.719 178.050 177.300 0.052 0.000 1.227 535 P CA 0.306 63.428 63.100 0.036 0.000 0.788 535 P CB 0.592 32.308 31.700 0.026 0.000 0.926 536 G N -0.260 108.575 108.800 0.059 0.000 2.441 536 G HA2 0.344 4.306 3.960 0.003 0.000 0.334 536 G HA3 0.344 4.306 3.960 0.003 0.000 0.334 536 G C 0.990 175.945 174.900 0.092 0.000 1.161 536 G CA -0.720 44.424 45.100 0.073 0.000 0.935 536 G HN 0.276 nan 8.290 nan 0.000 0.488 537 V N 0.989 120.980 119.914 0.128 0.000 2.317 537 V HA -0.241 3.881 4.120 0.003 0.000 0.251 537 V C 2.891 179.147 176.094 0.271 0.000 1.065 537 V CA 1.780 64.218 62.300 0.230 0.000 1.049 537 V CB -0.773 31.265 31.823 0.358 0.000 0.651 537 V HN 0.606 nan 8.190 nan 0.000 0.450 538 L N -0.552 120.766 121.223 0.158 0.000 2.046 538 L HA -0.160 4.182 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 1.418 56.326 54.840 0.113 0.000 0.747 538 L CB -0.745 41.339 42.059 0.041 0.000 0.896 538 L HN 0.382 nan 8.230 nan 0.000 0.432 539 A N 0.651 123.512 122.820 0.067 0.000 1.852 539 A HA -0.256 4.066 4.320 0.003 0.000 0.217 539 A C 2.141 179.766 177.584 0.069 0.000 1.215 539 A CA 2.058 54.127 52.037 0.054 0.000 0.641 539 A CB -1.061 17.972 19.000 0.054 0.000 0.838 539 A HN 0.346 nan 8.150 nan 0.000 0.450 540 L N -1.331 119.968 121.223 0.127 0.000 1.951 540 L HA -0.250 4.092 4.340 0.003 0.000 0.222 540 L C 2.492 179.460 176.870 0.164 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 -0.155 121.150 121.223 0.137 0.000 2.468 541 L HA -0.264 4.078 4.340 0.003 0.000 0.225 541 L C 1.820 178.520 176.870 -0.285 0.000 1.139 541 L CA 1.612 56.214 54.840 -0.395 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 -1.113 119.193 120.400 -0.157 0.000 2.214 542 D HA -0.141 4.501 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 55.142 54.000 -0.228 0.000 0.880 542 D CB -0.112 40.607 40.800 -0.135 0.000 1.031 542 D HN 0.535 nan 8.370 nan 0.000 0.468 543 E N 1.443 121.631 120.200 -0.020 0.000 2.046 543 E HA -0.166 4.186 4.350 0.003 0.000 0.190 543 E C 1.541 178.234 176.600 0.154 0.000 0.982 543 E CA 0.840 57.315 56.400 0.125 0.000 0.800 543 E CB -0.226 29.561 29.700 0.145 0.000 0.756 543 E HN 0.063 nan 8.360 nan 0.000 0.449 544 E N 0.483 120.757 120.200 0.124 0.000 2.455 544 E HA -0.137 4.215 4.350 0.003 0.000 0.202 544 E C 1.852 178.503 176.600 0.086 0.000 1.045 544 E CA 0.777 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 -0.301 118.974 119.300 -0.041 0.000 2.594 545 C HA 0.072 4.533 4.460 0.003 0.000 0.265 545 C C 0.720 175.676 174.990 -0.058 0.000 1.351 545 C CA -0.504 58.412 59.018 -0.171 0.000 1.744 545 C CB -0.745 26.752 27.740 -0.405 0.000 1.890 545 C HN 0.328 nan 8.230 nan 0.000 0.551 546 W N 1.787 123.133 121.300 0.077 0.000 1.853 546 W HA 0.473 5.137 4.660 0.005 0.000 0.290 546 W C -0.545 176.094 176.519 0.201 0.000 0.821 546 W CA -0.908 56.495 57.345 0.098 0.000 2.222 546 W CB -0.019 29.486 29.460 0.074 0.000 2.392 546 W HN 0.263 nan 8.180 nan 0.000 0.420 547 F N 3.075 123.145 119.950 0.200 0.000 2.767 547 F HA 0.367 4.896 4.527 0.002 0.000 0.341 547 F C -1.754 174.094 175.800 0.079 0.000 1.192 547 F CA -2.586 55.484 58.000 0.117 0.000 1.127 547 F CB 0.628 39.685 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 0.365 177.351 177.300 -0.522 0.000 1.174 548 P CA 1.598 64.594 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 0.324 120.220 120.400 -0.839 0.000 3.358 549 K HA 0.291 4.612 4.320 0.003 0.000 0.297 549 K C -0.118 175.913 176.600 -0.948 0.000 1.064 549 K CA -0.283 55.594 56.287 -0.684 0.000 1.144 549 K CB -0.655 31.754 32.500 -0.152 0.000 1.289 549 K HN 0.162 nan 8.250 nan 0.000 0.372 550 A N 0.538 122.865 122.820 -0.821 0.000 2.414 550 A HA 0.571 4.893 4.320 0.003 0.000 0.306 550 A C -0.428 177.027 177.584 -0.215 0.000 1.054 550 A CA -0.684 51.079 52.037 -0.457 0.000 0.724 550 A CB 1.394 20.155 19.000 -0.398 0.000 1.267 550 A HN 0.251 nan 8.150 nan 0.000 0.418 551 T N -1.234 113.261 114.554 -0.099 0.000 2.883 551 T HA 0.440 4.792 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 1.378 70.220 68.868 -0.043 0.000 1.186 551 T HN 0.468 nan 8.240 nan 0.000 0.499 552 D N 1.473 121.889 120.400 0.026 0.000 2.248 552 D HA -0.232 4.410 4.640 0.003 0.000 0.191 552 D C 1.977 178.356 176.300 0.130 0.000 1.013 552 D CA 2.396 56.442 54.000 0.077 0.000 0.883 552 D CB -0.613 40.206 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 4.149 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 64.573 62.100 0.016 0.000 1.172 553 T CB -0.809 68.060 68.868 0.001 0.000 0.863 553 T HN 0.325 nan 8.240 nan 0.000 0.408 554 S N 2.483 118.191 115.700 0.013 0.000 2.393 554 S HA -0.309 4.163 4.470 0.003 0.000 0.234 554 S C 1.747 176.367 174.600 0.033 0.000 1.064 554 S CA 1.839 60.049 58.200 0.016 0.000 1.088 554 S CB -1.352 61.850 63.200 0.005 0.000 0.939 554 S HN 0.449 nan 8.310 nan 0.000 0.448 555 F N 3.563 123.466 119.950 -0.079 0.000 2.000 555 F HA -0.150 4.378 4.527 0.002 0.000 0.296 555 F C 2.284 177.989 175.800 -0.157 0.000 1.159 555 F CA 1.915 59.853 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 1.522 121.030 119.914 -0.675 0.000 2.252 556 V HA -0.413 3.709 4.120 0.003 0.000 0.255 556 V C 2.538 178.325 176.094 -0.511 0.000 1.071 556 V CA 2.446 64.278 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 0.635 120.669 120.200 -0.277 0.000 2.070 557 E HA -0.290 4.062 4.350 0.003 0.000 0.197 557 E C 2.104 178.573 176.600 -0.217 0.000 1.004 557 E CA 1.847 58.138 56.400 -0.183 0.000 0.805 557 E CB -0.508 29.134 29.700 -0.096 0.000 0.744 557 E HN 0.686 nan 8.360 nan 0.000 0.451 558 K N 0.503 120.765 120.400 -0.229 0.000 2.057 558 K HA -0.122 4.200 4.320 0.003 0.000 0.207 558 K C 2.330 178.736 176.600 -0.325 0.000 1.049 558 K CA 0.642 56.810 56.287 -0.198 0.000 0.931 558 K CB -0.183 32.251 32.500 -0.111 0.000 0.714 558 K HN 0.004 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 4.087 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 1.596 56.012 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 -0.709 119.568 120.570 -0.489 0.000 2.286 560 I HA -0.297 3.875 4.170 0.003 0.000 0.248 560 I C 2.414 178.356 176.117 -0.292 0.000 1.115 560 I CA 1.560 62.626 61.300 -0.391 0.000 1.392 560 I CB -1.950 35.941 38.000 -0.181 0.000 1.065 560 I HN 0.581 nan 8.210 nan 0.000 0.418 561 Q N 1.918 121.578 119.800 -0.234 0.000 1.956 561 Q HA -0.251 4.090 4.340 0.003 0.000 0.208 561 Q C 1.921 177.827 176.000 -0.156 0.000 0.998 561 Q CA 1.935 57.644 55.803 -0.156 0.000 0.855 561 Q CB -0.123 28.541 28.738 -0.124 0.000 0.928 561 Q HN 0.449 nan 8.270 nan 0.000 0.418 562 E N 0.409 120.504 120.200 -0.175 0.000 1.993 562 E HA -0.167 4.184 4.350 0.003 0.000 0.198 562 E C 2.093 178.604 176.600 -0.149 0.000 0.999 562 E CA 1.165 57.483 56.400 -0.136 0.000 0.850 562 E CB -0.593 29.037 29.700 -0.118 0.000 0.796 562 E HN 0.349 nan 8.360 nan 0.000 0.482 563 Q N -0.384 119.283 119.800 -0.222 0.000 1.895 563 Q HA -0.130 4.211 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 -0.196 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 0.853 109.377 108.800 -0.461 0.000 4.637 564 G HA2 -0.507 3.454 3.960 0.003 0.000 0.359 564 G HA3 -0.507 3.454 3.960 0.003 0.000 0.359 564 G C 0.791 175.726 174.900 0.058 0.000 1.577 564 G CA 1.294 46.267 45.100 -0.210 0.000 1.463 564 G HN 0.622 nan 8.290 nan 0.000 0.849 565 N N 0.133 118.871 118.700 0.064 0.000 2.295 565 N HA 0.124 4.866 4.740 0.003 0.000 0.221 565 N C 0.630 176.245 175.510 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 0.061 0.000 1.040 565 N HN 0.667 nan 8.380 nan 0.000 0.494 566 H N 0.959 120.098 119.070 0.116 0.000 3.004 566 H HA 0.089 4.648 4.556 0.004 0.000 0.316 566 H C 1.166 176.596 175.328 0.169 0.000 1.014 566 H CA 0.601 56.732 56.048 0.138 0.000 1.454 566 H CB 1.279 31.139 29.762 0.164 0.000 1.472 566 H HN 0.402 nan 8.280 nan 0.000 0.571 567 A N 5.870 128.931 122.820 0.401 0.000 2.093 567 A HA -0.183 4.139 4.320 0.003 0.000 0.222 567 A C 1.977 179.768 177.584 0.346 0.000 1.162 567 A CA 1.513 53.735 52.037 0.307 0.000 0.655 567 A CB -0.063 19.054 19.000 0.196 0.000 0.805 567 A HN 0.577 nan 8.150 nan 0.000 0.461 568 K N -2.080 118.624 120.400 0.507 0.000 2.373 568 K HA 0.307 4.629 4.320 0.003 0.000 0.202 568 K C -0.565 176.067 176.600 0.055 0.000 1.025 568 K CA -0.226 56.145 56.287 0.139 0.000 1.115 568 K CB -0.045 32.462 32.500 0.011 0.000 0.858 568 K HN 0.483 nan 8.250 nan 0.000 0.525 569 F N 0.956 120.922 119.950 0.026 0.000 2.523 569 F HA 0.413 4.941 4.527 0.002 0.000 0.329 569 F C -0.513 175.333 175.800 0.078 0.000 1.061 569 F CA -0.576 57.453 58.000 0.047 0.000 0.967 569 F CB 1.425 40.469 39.000 0.072 0.000 1.218 569 F HN -0.179 nan 8.300 nan 0.000 0.480 570 Q N 4.119 123.377 119.800 -0.904 0.000 2.438 570 Q HA 0.225 4.567 4.340 0.003 0.000 0.272 570 Q C -1.840 173.784 176.000 -0.626 0.000 0.994 570 Q CA -0.931 54.612 55.803 -0.434 0.000 0.887 570 Q CB 2.292 30.888 28.738 -0.236 0.000 1.432 570 Q HN 0.839 nan 8.270 nan 0.000 0.392 571 K N 0.786 121.126 120.400 -0.100 0.000 2.118 571 K HA 0.470 4.792 4.320 0.003 0.000 0.264 571 K C 0.382 176.971 176.600 -0.018 0.000 1.000 571 K CA -0.311 56.004 56.287 0.047 0.000 0.929 571 K CB 1.336 33.932 32.500 0.161 0.000 1.021 571 K HN 0.619 nan 8.250 nan 0.000 0.463 572 S N 1.639 117.350 115.700 0.019 0.000 2.695 572 S HA -0.007 4.465 4.470 0.003 0.000 0.250 572 S C 0.052 174.652 174.600 -0.001 0.000 1.355 572 S CA -0.140 58.059 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 3.001 573 K HA 0.290 4.612 4.320 0.003 0.000 0.257 573 K C -0.132 176.472 176.600 0.006 0.000 1.290 573 K CA 0.131 56.416 56.287 -0.003 0.000 1.252 573 K CB -0.929 31.565 32.500 -0.010 0.000 1.656 573 K HN 0.589 nan 8.250 nan 0.000 0.351 574 Q N 0.581 120.389 119.800 0.013 0.000 2.416 574 Q HA -0.221 4.121 4.340 0.003 0.000 0.319 574 Q C -0.672 175.337 176.000 0.015 0.000 1.318 574 Q CA 0.363 56.175 55.803 0.016 0.000 0.915 574 Q CB -0.829 27.916 28.738 0.012 0.000 1.184 574 Q HN 0.413 nan 8.270 nan 0.000 0.444 575 L N 0.253 121.487 121.223 0.018 0.000 3.186 575 L HA 0.140 4.482 4.340 0.003 0.000 0.292 575 L C 0.589 177.474 176.870 0.025 0.000 1.303 575 L CA -0.228 54.623 54.840 0.019 0.000 0.940 575 L CB 0.529 42.597 42.059 0.015 0.000 1.358 575 L HN 0.061 nan 8.230 nan 0.000 0.581 576 K N -1.743 118.671 120.400 0.024 0.000 2.574 576 K HA -0.093 4.228 4.320 0.003 0.000 0.193 576 K C 1.170 177.780 176.600 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 0.451 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 -0.164 4.477 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 1.053 55.063 54.000 0.016 0.000 0.829 577 D CB -0.051 40.758 40.800 0.016 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 4.361 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 0.927 57.232 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 2.182 116.755 114.554 0.030 0.000 2.183 579 T HA -0.173 4.179 4.350 0.003 0.000 0.552 579 T C -0.578 174.166 174.700 0.074 0.000 0.866 579 T CA 0.565 62.687 62.100 0.037 0.000 2.936 579 T CB -1.623 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 1.862 122.128 120.200 0.110 0.000 2.336 580 E HA 0.833 5.185 4.350 0.003 0.000 0.267 580 E C -0.301 176.469 176.600 0.284 0.000 0.906 580 E CA -1.446 55.052 56.400 0.163 0.000 0.781 580 E CB 1.813 31.540 29.700 0.046 0.000 1.261 580 E HN 0.484 nan 8.360 nan 0.000 0.436 581 F N -1.390 118.567 119.950 0.011 0.000 2.650 581 F HA 0.809 5.338 4.527 0.004 0.000 0.320 581 F C -1.057 174.690 175.800 -0.088 0.000 1.091 581 F CA -1.637 56.346 58.000 -0.027 0.000 0.962 581 F CB 0.865 39.969 39.000 0.173 0.000 1.363 581 F HN 0.503 nan 8.300 nan 0.000 0.482 582 C N 1.738 120.845 119.300 -0.321 0.000 2.614 582 C HA 0.895 5.357 4.460 0.003 0.000 0.320 582 C C -0.463 174.294 174.990 -0.389 0.000 1.200 582 C CA -0.878 57.939 59.018 -0.336 0.000 1.700 582 C CB 1.422 28.986 27.740 -0.293 0.000 2.275 582 C HN 0.749 nan 8.230 nan 0.000 0.492 583 I N 0.754 121.194 120.570 -0.218 0.000 2.692 583 I HA 0.365 4.537 4.170 0.003 0.000 0.293 583 I C -0.957 175.032 176.117 -0.212 0.000 1.200 583 I CA -0.621 60.584 61.300 -0.157 0.000 1.036 583 I CB 1.327 39.312 38.000 -0.024 0.000 1.258 583 I HN 0.400 nan 8.210 nan 0.000 0.421 584 L N 5.596 126.772 121.223 -0.078 0.000 2.404 584 L HA 0.290 4.632 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 -0.344 54.499 54.840 0.005 0.000 1.013 584 L CB -0.929 41.159 42.059 0.049 0.000 1.318 584 L HN 0.578 nan 8.230 nan 0.000 0.435 585 H N 1.957 121.180 119.070 0.256 0.000 2.172 585 H HA -0.042 4.522 4.556 0.013 0.000 0.346 585 H C 0.800 176.317 175.328 0.315 0.000 1.901 585 H CA 0.252 56.532 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 0.516 nan 8.280 nan 0.000 0.548 586 Y N -1.748 118.682 120.300 0.217 0.000 2.397 586 Y HA 0.359 4.902 4.550 -0.011 0.000 0.292 586 Y C 1.932 177.762 175.900 -0.117 0.000 1.115 586 Y CA 0.406 58.529 58.100 0.039 0.000 1.208 586 Y CB -0.906 37.563 38.460 0.016 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 -1.095 0.000 2.238 587 A HA 0.565 4.886 4.320 0.003 0.000 0.208 587 A C 1.324 178.499 177.584 -0.682 0.000 1.177 587 A CA 0.768 51.960 52.037 -1.408 0.000 0.804 587 A CB -1.192 16.167 19.000 -2.735 0.000 0.823 587 A HN 0.999 nan 8.150 nan 0.000 0.482 588 G N -0.947 107.725 108.800 -0.214 0.000 2.371 588 G HA2 0.072 4.034 3.960 0.003 0.000 0.663 588 G HA3 0.072 4.034 3.960 0.003 0.000 0.663 588 G C -0.609 174.358 174.900 0.111 0.000 1.311 588 G CA -0.422 44.660 45.100 -0.029 0.000 0.985 588 G HN 0.322 nan 8.290 nan 0.000 0.566 589 K N -0.511 119.902 120.400 0.022 0.000 2.202 589 K HA 0.630 4.952 4.320 0.003 0.000 0.264 589 K C -0.425 176.134 176.600 -0.069 0.000 1.010 589 K CA -0.248 56.015 56.287 -0.040 0.000 0.940 589 K CB 1.077 33.537 32.500 -0.067 0.000 0.983 589 K HN 0.735 nan 8.250 nan 0.000 0.475 590 V N 1.957 121.759 119.914 -0.187 0.000 2.851 590 V HA 0.199 4.321 4.120 0.003 0.000 0.307 590 V C -0.866 174.982 176.094 -0.409 0.000 1.129 590 V CA -1.006 61.093 62.300 -0.334 0.000 0.932 590 V CB 2.184 33.689 31.823 -0.530 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 -0.380 0.000 2.832 591 T HA 0.575 4.926 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 61.705 62.100 -0.294 0.000 0.950 591 T CB -0.166 68.602 68.868 -0.167 0.000 0.984 591 T HN 0.393 nan 8.240 nan 0.000 0.486 592 Y N 2.163 122.249 120.300 -0.358 0.000 2.301 592 Y HA 0.257 4.805 4.550 -0.003 0.000 0.325 592 Y C 1.206 176.962 175.900 -0.240 0.000 1.203 592 Y CA -0.771 57.153 58.100 -0.293 0.000 1.255 592 Y CB 0.778 38.943 38.460 -0.492 0.000 1.232 592 Y HN 0.547 nan 8.280 nan 0.000 0.501 593 N N 1.810 120.593 118.700 0.138 0.000 2.699 593 N HA 0.272 5.014 4.740 0.003 0.000 0.232 593 N C 0.300 175.743 175.510 -0.111 0.000 1.027 593 N CA -0.084 53.003 53.050 0.063 0.000 0.920 593 N CB 0.747 39.303 38.487 0.116 0.000 1.148 593 N HN 0.908 nan 8.380 nan 0.000 0.509 594 A N 2.455 125.047 122.820 -0.379 0.000 2.194 594 A HA -0.118 4.204 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 0.657 52.040 52.037 -1.089 0.000 0.674 594 A CB -0.378 18.437 19.000 -0.307 0.000 0.789 594 A HN 0.664 nan 8.150 nan 0.000 0.470 595 S N -1.125 114.471 115.700 -0.173 0.000 2.554 595 S HA 0.241 4.713 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 0.719 58.938 58.200 0.030 0.000 1.047 595 S CB 0.095 63.342 63.200 0.079 0.000 0.828 595 S HN 2.105 nan 8.310 nan 0.000 0.509 596 A N 3.057 125.975 122.820 0.164 0.000 2.869 596 A HA -0.189 4.132 4.320 0.003 0.000 0.272 596 A C 1.062 178.795 177.584 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 -0.529 120.702 121.300 -0.115 0.000 2.381 597 W HA 0.045 4.709 4.660 0.007 0.000 0.301 597 W C 2.188 178.456 176.519 -0.418 0.000 1.205 597 W CA 1.517 58.665 57.345 -0.327 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 -0.342 120.817 121.223 -0.106 0.000 2.083 598 L HA -0.224 4.118 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 1.822 56.550 54.840 -0.186 0.000 0.752 598 L CB -1.460 40.514 42.059 -0.141 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 4.144 4.350 0.003 0.000 0.264 599 T C 1.895 176.637 174.700 0.070 0.000 1.045 599 T CA 1.123 63.274 62.100 0.085 0.000 1.155 599 T CB -0.209 68.799 68.868 0.232 0.000 0.863 599 T HN 0.191 nan 8.240 nan 0.000 0.420 600 K N 1.095 121.513 120.400 0.031 0.000 2.032 600 K HA -0.075 4.247 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 1.169 57.461 56.287 0.009 0.000 0.927 600 K CB -0.235 32.270 32.500 0.007 0.000 0.712 600 K HN 0.133 nan 8.250 nan 0.000 0.441 601 N N 0.386 118.963 118.700 -0.204 0.000 2.430 601 N HA -0.163 4.579 4.740 0.003 0.000 0.186 601 N C 1.410 176.817 175.510 -0.172 0.000 1.032 601 N CA 1.141 54.045 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 -0.243 119.290 119.600 -0.113 0.000 2.657 602 M HA 0.086 4.567 4.480 0.003 0.000 0.262 602 M C -0.661 175.665 176.300 0.042 0.000 1.213 602 M CA 0.382 55.644 55.300 -0.064 0.000 1.182 602 M CB 0.395 32.971 32.600 -0.040 0.000 1.303 602 M HN -0.095 nan 8.290 nan 0.000 0.501 603 D N 1.422 121.863 120.400 0.067 0.000 3.082 603 D HA -0.111 4.531 4.640 0.003 0.000 0.234 603 D C -2.466 173.915 176.300 0.135 0.000 1.159 603 D CA 0.329 54.387 54.000 0.097 0.000 0.875 603 D CB -0.155 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 -1.106 176.319 177.300 0.209 0.000 1.285 604 P CA -0.885 62.332 63.100 0.196 0.000 0.854 604 P CB 1.534 33.360 31.700 0.209 0.000 1.180 605 L N -0.123 121.204 121.223 0.173 0.000 2.940 605 L HA 0.287 4.629 4.340 0.003 0.000 0.247 605 L C -1.070 175.857 176.870 0.095 0.000 0.970 605 L CA -0.499 54.432 54.840 0.151 0.000 1.003 605 L CB 1.352 43.494 42.059 0.138 0.000 1.552 605 L HN 0.387 nan 8.230 nan 0.000 0.432 606 N N 3.024 121.761 118.700 0.062 0.000 2.360 606 N HA -0.071 4.670 4.740 0.003 0.000 0.292 606 N C 0.234 175.729 175.510 -0.025 0.000 1.330 606 N CA 0.755 53.806 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 0.690 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 4.446 4.640 0.003 0.000 0.204 607 D C 1.058 177.325 176.300 -0.056 0.000 0.982 607 D CA 0.878 54.867 54.000 -0.020 0.000 0.857 607 D CB -0.238 40.564 40.800 0.003 0.000 0.934 607 D HN 0.425 nan 8.370 nan 0.000 0.475 608 N N 0.323 118.986 118.700 -0.062 0.000 2.018 608 N HA -0.170 4.572 4.740 0.003 0.000 0.196 608 N C 1.816 177.268 175.510 -0.098 0.000 1.043 608 N CA 1.626 54.630 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 0.112 nan 8.380 nan 0.000 0.423 609 V N -0.212 119.625 119.914 -0.129 0.000 2.591 609 V HA -0.135 3.986 4.120 0.003 0.000 0.249 609 V C 1.832 177.802 176.094 -0.206 0.000 1.053 609 V CA 1.676 63.895 62.300 -0.135 0.000 1.068 609 V CB -0.724 30.996 31.823 -0.171 0.000 0.689 609 V HN 0.350 nan 8.190 nan 0.000 0.462 610 T N 1.135 115.557 114.554 -0.220 0.000 2.486 610 T HA -0.238 4.114 4.350 0.003 0.000 0.257 610 T C 1.992 176.519 174.700 -0.289 0.000 1.175 610 T CA 2.748 64.657 62.100 -0.319 0.000 1.207 610 T CB -0.559 68.238 68.868 -0.118 0.000 0.864 610 T HN 0.756 nan 8.240 nan 0.000 0.405 611 S N 1.871 117.489 115.700 -0.138 0.000 2.400 611 S HA -0.113 4.358 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 0.385 nan 8.310 nan 0.000 0.478 612 L N 1.238 122.392 121.223 -0.115 0.000 2.051 612 L HA -0.167 4.175 4.340 0.003 0.000 0.214 612 L C 2.008 178.813 176.870 -0.109 0.000 1.076 612 L CA 1.724 56.513 54.840 -0.084 0.000 0.758 612 L CB -0.410 41.617 42.059 -0.054 0.000 0.890 612 L HN 0.279 nan 8.230 nan 0.000 0.433 613 L N -0.912 120.181 121.223 -0.217 0.000 2.095 613 L HA -0.131 4.211 4.340 0.003 0.000 0.204 613 L C 2.348 179.134 176.870 -0.140 0.000 1.080 613 L CA 1.346 56.034 54.840 -0.254 0.000 0.759 613 L CB -1.188 40.496 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 -0.122 0.000 2.313 614 N HA -0.287 4.455 4.740 0.003 0.000 0.196 614 N C 0.863 176.380 175.510 0.012 0.000 0.995 614 N CA 1.687 54.739 53.050 0.002 0.000 0.899 614 N CB 0.144 38.635 38.487 0.007 0.000 0.977 614 N HN 0.566 nan 8.380 nan 0.000 0.451 615 Q N -0.362 119.429 119.800 -0.014 0.000 2.086 615 Q HA 0.160 4.502 4.340 0.003 0.000 0.220 615 Q C 0.085 176.081 176.000 -0.007 0.000 0.792 615 Q CA -0.307 55.494 55.803 -0.003 0.000 1.062 615 Q CB 1.101 29.835 28.738 -0.006 0.000 1.198 615 Q HN 0.195 nan 8.270 nan 0.000 0.466 616 S N 0.022 115.712 115.700 -0.017 0.000 2.560 616 S HA -0.059 4.413 4.470 0.003 0.000 0.276 616 S C 1.536 176.136 174.600 0.001 0.000 1.350 616 S CA 0.404 58.594 58.200 -0.016 0.000 1.024 616 S CB 1.215 64.401 63.200 -0.023 0.000 0.864 616 S HN 0.370 nan 8.310 nan 0.000 0.536 617 S N 1.059 116.758 115.700 -0.002 0.000 2.383 617 S HA -0.141 4.331 4.470 0.003 0.000 0.227 617 S C 0.668 175.280 174.600 0.021 0.000 1.026 617 S CA 1.169 59.372 58.200 0.005 0.000 0.981 617 S CB -0.761 62.436 63.200 -0.006 0.000 0.818 617 S HN 0.860 nan 8.310 nan 0.000 0.472 618 D N 1.878 122.296 120.400 0.029 0.000 2.348 618 D HA 0.121 4.763 4.640 0.003 0.000 0.259 618 D C 0.987 177.323 176.300 0.060 0.000 1.296 618 D CA 0.113 54.145 54.000 0.053 0.000 0.931 618 D CB 0.621 41.460 40.800 0.065 0.000 1.067 618 D HN 0.329 nan 8.370 nan 0.000 0.503 619 K N 3.300 123.740 120.400 0.067 0.000 2.034 619 K HA -0.231 4.091 4.320 0.003 0.000 0.214 619 K C 1.765 178.421 176.600 0.093 0.000 1.051 619 K CA 1.043 57.374 56.287 0.072 0.000 0.931 619 K CB -0.233 32.311 32.500 0.072 0.000 0.715 619 K HN 0.422 nan 8.250 nan 0.000 0.446 620 F N 1.633 121.536 119.950 -0.078 0.000 2.065 620 F HA -0.240 4.287 4.527 0.001 0.000 0.298 620 F C 1.928 177.628 175.800 -0.167 0.000 1.112 620 F CA 1.512 59.404 58.000 -0.179 0.000 1.212 620 F CB -0.648 38.209 39.000 -0.238 0.000 0.975 620 F HN -0.178 nan 8.300 nan 0.000 0.476 621 V N 0.330 120.144 119.914 -0.167 0.000 2.759 621 V HA -0.169 3.953 4.120 0.003 0.000 0.256 621 V C 2.638 178.756 176.094 0.040 0.000 1.080 621 V CA 1.175 63.399 62.300 -0.127 0.000 1.101 621 V CB -1.943 29.906 31.823 0.044 0.000 0.698 621 V HN 0.463 nan 8.190 nan 0.000 0.477 622 A N 1.528 124.358 122.820 0.017 0.000 1.835 622 A HA -0.222 4.100 4.320 0.003 0.000 0.215 622 A C 2.019 179.628 177.584 0.041 0.000 1.199 622 A CA 1.959 54.027 52.037 0.052 0.000 0.615 622 A CB -0.784 18.241 19.000 0.043 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 0.001 0.000 2.178 623 D HA -0.131 4.511 4.640 0.003 0.000 0.201 623 D C 1.871 178.128 176.300 -0.071 0.000 0.980 623 D CA 0.914 54.920 54.000 0.009 0.000 0.842 623 D CB -0.566 40.279 40.800 0.075 0.000 0.948 623 D HN 0.383 nan 8.370 nan 0.000 0.472 624 L N -0.739 120.322 121.223 -0.271 0.000 1.970 624 L HA -0.167 4.174 4.340 0.003 0.000 0.212 624 L C 2.192 178.837 176.870 -0.375 0.000 1.071 624 L CA 1.705 56.249 54.840 -0.494 0.000 0.751 624 L CB -0.274 41.291 42.059 -0.823 0.000 0.889 624 L HN 0.082 nan 8.230 nan 0.000 0.432 625 W N -0.572 120.632 121.300 -0.159 0.000 2.737 625 W HA -0.010 4.654 4.660 0.006 0.000 0.262 625 W C 2.302 178.791 176.519 -0.049 0.000 1.282 625 W CA 0.474 57.765 57.345 -0.089 0.000 1.386 625 W CB -0.141 29.272 29.460 -0.079 0.000 1.099 625 W HN 0.088 nan 8.180 nan 0.000 0.621 626 K N 1.960 122.447 120.400 0.145 0.000 2.370 626 K HA -0.289 4.033 4.320 0.003 0.000 0.204 626 K C 0.050 176.699 176.600 0.082 0.000 1.038 626 K CA 2.202 58.544 56.287 0.092 0.000 0.936 626 K CB -0.684 31.850 32.500 0.056 0.000 0.737 626 K HN 0.155 nan 8.250 nan 0.000 0.493 627 D N -0.243 120.209 120.400 0.086 0.000 2.438 627 D HA 0.121 4.763 4.640 0.003 0.000 0.257 627 D C -0.235 176.130 176.300 0.109 0.000 1.148 627 D CA -0.803 53.239 54.000 0.071 0.000 0.902 627 D CB 1.470 42.293 40.800 0.039 0.000 1.062 627 D HN -0.021 nan 8.370 nan 0.000 0.518 628 V N 1.771 121.756 119.914 0.119 0.000 3.276 628 V HA -0.007 4.115 4.120 0.003 0.000 0.319 628 V C 0.981 177.131 176.094 0.093 0.000 1.427 628 V CA -0.056 62.331 62.300 0.146 0.000 1.102 628 V CB 0.534 32.447 31.823 0.149 0.000 1.020 628 V HN 0.345 nan 8.190 nan 0.000 0.456 629 D N 0.695 121.133 120.400 0.063 0.000 2.309 629 D HA -0.098 4.544 4.640 0.003 0.000 0.212 629 D C 2.178 178.500 176.300 0.036 0.000 0.968 629 D CA 0.965 54.985 54.000 0.033 0.000 0.882 629 D CB 0.056 40.862 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 0.072 0.000 2.312 630 R HA 0.075 4.416 4.340 0.003 0.000 0.205 630 R C 0.426 176.799 176.300 0.121 0.000 0.904 630 R CA -0.271 55.889 56.100 0.100 0.000 1.052 630 R CB 0.435 30.818 30.300 0.139 0.000 1.014 630 R HN 0.080 nan 8.270 nan 0.000 0.503 631 I N 1.570 122.209 120.570 0.114 0.000 3.279 631 I HA -0.132 4.040 4.170 0.003 0.000 0.294 631 I C 0.595 176.777 176.117 0.109 0.000 1.263 631 I CA 0.672 62.043 61.300 0.120 0.000 1.389 631 I CB -0.045 38.018 38.000 0.104 0.000 1.329 631 I HN -0.254 nan 8.210 nan 0.000 0.594 632 V N 2.716 122.699 119.914 0.114 0.000 2.417 632 V HA 0.648 4.770 4.120 0.003 0.000 0.291 632 V C 0.575 176.717 176.094 0.081 0.000 1.024 632 V CA -0.327 62.041 62.300 0.112 0.000 0.861 632 V CB 1.444 33.352 31.823 0.143 0.000 0.985 632 V HN 0.980 nan 8.190 nan 0.000 0.436 633 G N 4.738 113.574 108.800 0.060 0.000 4.142 633 G HA2 0.604 4.566 3.960 0.003 0.000 0.310 633 G HA3 0.604 4.566 3.960 0.003 0.000 0.310 633 G C -1.235 173.681 174.900 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 1.515 121.931 120.500 -0.141 0.000 2.428 657 R HA 0.488 4.830 4.340 0.003 0.000 0.294 657 R C -0.655 175.631 176.300 -0.023 0.000 1.000 657 R CA 0.221 56.184 56.100 -0.228 0.000 0.960 657 R CB 1.282 31.330 30.300 -0.420 0.000 1.076 657 R HN 0.454 nan 8.270 nan 0.000 0.475 658 T N 2.032 116.538 114.554 -0.079 0.000 2.907 658 T HA 0.093 4.445 4.350 0.003 0.000 0.298 658 T C 1.345 176.017 174.700 -0.046 0.000 1.017 658 T CA -0.438 61.577 62.100 -0.143 0.000 1.118 658 T CB 0.751 69.458 68.868 -0.267 0.000 0.948 658 T HN 0.325 nan 8.240 nan 0.000 0.531 659 V N 5.167 125.070 119.914 -0.018 0.000 2.219 659 V HA -0.106 4.016 4.120 0.003 0.000 0.248 659 V C 2.712 178.876 176.094 0.116 0.000 1.053 659 V CA 2.745 65.082 62.300 0.062 0.000 1.009 659 V CB -1.246 30.634 31.823 0.095 0.000 0.636 659 V HN 1.117 nan 8.190 nan 0.000 0.445 660 G N -1.829 107.056 108.800 0.141 0.000 2.517 660 G HA2 -0.376 3.585 3.960 0.003 0.000 0.222 660 G HA3 -0.376 3.585 3.960 0.003 0.000 0.222 660 G C 1.496 176.476 174.900 0.133 0.000 1.109 660 G CA 1.325 46.539 45.100 0.189 0.000 0.746 660 G HN 0.582 nan 8.290 nan 0.000 0.576 661 Q N -1.333 118.503 119.800 0.060 0.000 2.392 661 Q HA 0.270 4.612 4.340 0.003 0.000 0.219 661 Q C 2.179 178.196 176.000 0.028 0.000 0.895 661 Q CA -0.160 55.659 55.803 0.027 0.000 0.929 661 Q CB -0.090 28.641 28.738 -0.011 0.000 1.077 661 Q HN 0.270 nan 8.270 nan 0.000 0.532 662 L N 0.024 121.278 121.223 0.052 0.000 2.027 662 L HA -0.108 4.234 4.340 0.003 0.000 0.206 662 L C 1.868 178.804 176.870 0.110 0.000 1.074 662 L CA 1.789 56.664 54.840 0.058 0.000 0.745 662 L CB -1.170 40.931 42.059 0.070 0.000 0.898 662 L HN 0.380 nan 8.230 nan 0.000 0.433 663 Y N 0.865 121.182 120.300 0.028 0.000 2.113 663 Y HA -0.228 4.315 4.550 -0.011 0.000 0.269 663 Y C 2.524 178.459 175.900 0.060 0.000 1.098 663 Y CA 1.887 60.017 58.100 0.050 0.000 1.083 663 Y CB -0.799 37.681 38.460 0.032 0.000 0.997 663 Y HN 0.060 nan 8.280 nan 0.000 0.476 664 K N 0.487 120.761 120.400 -0.211 0.000 2.531 664 K HA -0.314 4.008 4.320 0.003 0.000 0.199 664 K C 1.483 177.974 176.600 -0.181 0.000 1.047 664 K CA 2.014 58.143 56.287 -0.263 0.000 0.930 664 K CB -0.176 32.320 32.500 -0.007 0.000 0.762 664 K HN 0.567 nan 8.250 nan 0.000 0.498 665 E N -0.182 119.942 120.200 -0.126 0.000 2.132 665 E HA -0.092 4.260 4.350 0.003 0.000 0.193 665 E C 1.930 178.476 176.600 -0.089 0.000 0.951 665 E CA 0.706 57.059 56.400 -0.078 0.000 0.843 665 E CB 0.110 29.788 29.700 -0.036 0.000 0.807 665 E HN 0.459 nan 8.360 nan 0.000 0.467 666 Q N 0.349 120.100 119.800 -0.082 0.000 2.172 666 Q HA -0.099 4.242 4.340 0.003 0.000 0.200 666 Q C 1.851 177.807 176.000 -0.073 0.000 0.964 666 Q CA 0.959 56.736 55.803 -0.044 0.000 0.855 666 Q CB -0.187 28.568 28.738 0.029 0.000 0.918 666 Q HN 0.298 nan 8.270 nan 0.000 0.444 667 L N 1.531 122.618 121.223 -0.228 0.000 2.622 667 L HA 0.022 4.364 4.340 0.003 0.000 0.233 667 L C 1.003 177.740 176.870 -0.221 0.000 1.156 667 L CA 1.338 55.996 54.840 -0.303 0.000 0.866 667 L CB 0.041 41.662 42.059 -0.730 0.000 0.980 667 L HN 0.348 nan 8.230 nan 0.000 0.448 668 T N -3.887 110.571 114.554 -0.159 0.000 2.990 668 T HA 0.039 4.391 4.350 0.003 0.000 0.250 668 T C 1.741 176.383 174.700 -0.095 0.000 1.041 668 T CA 0.078 62.109 62.100 -0.115 0.000 1.010 668 T CB 0.226 69.043 68.868 -0.084 0.000 1.003 668 T HN 0.165 nan 8.240 nan 0.000 0.499 669 K N 0.870 121.215 120.400 -0.092 0.000 1.991 669 K HA 0.060 4.382 4.320 0.003 0.000 0.207 669 K C 2.166 178.696 176.600 -0.116 0.000 1.045 669 K CA 0.926 57.161 56.287 -0.087 0.000 0.937 669 K CB -0.315 32.138 32.500 -0.078 0.000 0.720 669 K HN 0.170 nan 8.250 nan 0.000 0.438 670 L N 0.895 122.040 121.223 -0.129 0.000 1.971 670 L HA -0.197 4.145 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 56.581 54.840 -0.202 0.000 0.758 670 L CB -0.587 41.381 42.059 -0.150 0.000 0.889 670 L HN 0.217 nan 8.230 nan 0.000 0.433 671 M N -0.460 119.058 119.600 -0.136 0.000 2.426 671 M HA -0.180 4.302 4.480 0.003 0.000 0.261 671 M C 1.944 178.198 176.300 -0.076 0.000 1.068 671 M CA 1.909 57.145 55.300 -0.105 0.000 1.066 671 M CB -0.991 31.540 32.600 -0.115 0.000 1.399 671 M HN 0.421 nan 8.290 nan 0.000 0.449 672 T N -1.265 113.242 114.554 -0.077 0.000 2.852 672 T HA -0.073 4.278 4.350 0.003 0.000 0.256 672 T C 1.774 176.459 174.700 -0.026 0.000 1.038 672 T CA 1.850 63.919 62.100 -0.051 0.000 1.141 672 T CB -0.311 68.526 68.868 -0.052 0.000 0.869 672 T HN 0.618 nan 8.240 nan 0.000 0.439 673 T N 1.948 116.481 114.554 -0.036 0.000 2.821 673 T HA 0.020 4.372 4.350 0.003 0.000 0.267 673 T C 2.064 176.823 174.700 0.099 0.000 1.046 673 T CA 0.729 62.851 62.100 0.035 0.000 1.139 673 T CB -0.654 68.218 68.868 0.007 0.000 0.871 673 T HN 0.257 nan 8.240 nan 0.000 0.454 674 L N -0.004 121.252 121.223 0.054 0.000 2.043 674 L HA -0.055 4.287 4.340 0.003 0.000 0.212 674 L C 3.133 180.030 176.870 0.046 0.000 1.075 674 L CA 1.708 56.596 54.840 0.081 0.000 0.752 674 L CB -0.542 41.544 42.059 0.045 0.000 0.891 674 L HN 0.257 nan 8.230 nan 0.000 0.432 675 R N -0.306 120.206 120.500 0.021 0.000 2.316 675 R HA -0.055 4.286 4.340 0.003 0.000 0.202 675 R C 1.200 177.512 176.300 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 -0.448 118.279 118.700 0.044 0.000 2.187 676 N HA 0.003 4.744 4.740 0.003 0.000 0.212 676 N C -0.400 175.147 175.510 0.062 0.000 1.152 676 N CA 0.267 53.350 53.050 0.055 0.000 0.872 676 N CB 0.896 39.429 38.487 0.076 0.000 1.025 676 N HN 0.201 nan 8.380 nan 0.000 0.514 677 T N -3.071 111.510 114.554 0.044 0.000 2.807 677 T HA 0.378 4.729 4.350 0.003 0.000 0.277 677 T C -0.422 174.245 174.700 -0.056 0.000 1.006 677 T CA -0.902 61.184 62.100 -0.023 0.000 1.006 677 T CB 1.714 70.569 68.868 -0.021 0.000 1.274 677 T HN -0.021 nan 8.240 nan 0.000 0.569 678 N N 1.985 120.623 118.700 -0.102 0.000 2.444 678 N HA 0.377 5.118 4.740 0.003 0.000 0.262 678 N C -2.691 172.743 175.510 -0.128 0.000 0.974 678 N CA -2.209 50.783 53.050 -0.097 0.000 0.933 678 N CB 1.539 39.968 38.487 -0.097 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 -0.249 62.666 63.100 -0.308 0.000 0.789 679 P CB 0.911 32.373 31.700 -0.396 0.000 0.933 680 N N 2.899 121.384 118.700 -0.359 0.000 2.576 680 N HA 0.237 4.979 4.740 0.003 0.000 0.269 680 N C -0.975 174.402 175.510 -0.220 0.000 1.058 680 N CA -0.318 52.623 53.050 -0.182 0.000 0.860 680 N CB 0.782 39.202 38.487 -0.113 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 0.091 0.000 2.420 681 F HA 0.215 4.729 4.527 -0.021 0.000 0.352 681 F C 1.005 176.856 175.800 0.084 0.000 1.108 681 F CA -0.538 57.515 58.000 0.088 0.000 1.162 681 F CB 1.129 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 5.166 125.206 119.914 0.209 0.000 2.326 682 V HA 0.197 4.319 4.120 0.003 0.000 0.254 682 V C 0.077 176.214 176.094 0.071 0.000 1.022 682 V CA -0.938 61.437 62.300 0.125 0.000 1.074 682 V CB -0.081 31.781 31.823 0.065 0.000 1.305 682 V HN 0.584 nan 8.190 nan 0.000 0.506 683 R N 0.764 121.311 120.500 0.078 0.000 2.998 683 R HA 0.023 4.365 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 -1.067 29.204 30.300 -0.047 0.000 1.111 683 R HN 0.510 nan 8.270 nan 0.000 0.514 684 C N 2.965 122.209 119.300 -0.094 0.000 2.665 684 C HA 0.195 4.656 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 -0.059 58.869 59.018 -0.150 0.000 1.903 684 C CB -0.299 27.358 27.740 -0.137 0.000 2.704 684 C HN 0.655 nan 8.230 nan 0.000 0.629 685 I N 3.588 124.026 120.570 -0.219 0.000 2.512 685 I HA 0.268 4.440 4.170 0.003 0.000 0.287 685 I C -0.240 175.706 176.117 -0.286 0.000 1.069 685 I CA -0.356 60.804 61.300 -0.232 0.000 1.056 685 I CB 1.173 39.029 38.000 -0.240 0.000 1.229 685 I HN 0.520 nan 8.210 nan 0.000 0.429 686 I N 8.910 129.326 120.570 -0.256 0.000 2.471 686 I HA 0.121 4.293 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 -1.292 59.839 61.300 -0.282 0.000 1.398 686 I CB 1.861 39.729 38.000 -0.220 0.000 1.403 686 I HN 0.375 nan 8.210 nan 0.000 0.530 687 P HA -0.023 nan 4.420 nan 0.000 0.220 687 P C -0.646 176.541 177.300 -0.188 0.000 1.154 687 P CA 0.846 63.756 63.100 -0.318 0.000 0.830 687 P CB 0.414 31.897 31.700 -0.362 0.000 0.803 688 N N -2.925 115.698 118.700 -0.127 0.000 3.043 688 N HA 0.117 4.859 4.740 0.003 0.000 0.243 688 N C -0.381 175.086 175.510 -0.071 0.000 1.347 688 N CA -0.760 52.232 53.050 -0.097 0.000 0.896 688 N CB -0.217 38.299 38.487 0.048 0.000 1.501 688 N HN -0.247 nan 8.380 nan 0.000 0.504 689 H N -1.164 117.949 119.070 0.072 0.000 2.575 689 H HA 0.261 4.816 4.556 -0.001 0.000 0.267 689 H C 0.296 175.651 175.328 0.046 0.000 0.966 689 H CA -0.072 56.013 56.048 0.061 0.000 1.165 689 H CB 0.651 30.432 29.762 0.031 0.000 1.433 689 H HN 0.586 nan 8.280 nan 0.000 0.544 690 E N 1.213 121.494 120.200 0.135 0.000 2.502 690 E HA -0.086 4.266 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 56.503 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 0.948 121.316 120.400 -0.053 0.000 3.088 691 K HA -0.195 4.127 4.320 0.003 0.000 0.273 691 K C -0.614 175.706 176.600 -0.467 0.000 1.111 691 K CA 0.485 56.528 56.287 -0.407 0.000 0.803 691 K CB -0.508 31.815 32.500 -0.295 0.000 1.226 691 K HN 0.018 nan 8.250 nan 0.000 0.485 692 R N 0.023 120.430 120.500 -0.154 0.000 2.428 692 R HA 0.483 4.825 4.340 0.003 0.000 0.294 692 R C -0.053 176.316 176.300 0.116 0.000 1.000 692 R CA 0.194 56.274 56.100 -0.033 0.000 0.960 692 R CB 1.624 31.953 30.300 0.049 0.000 1.076 692 R HN 0.266 nan 8.270 nan 0.000 0.475 693 A N 0.545 123.434 122.820 0.115 0.000 2.304 693 A HA 0.541 4.863 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 0.314 52.488 52.037 0.229 0.000 0.819 693 A CB 0.806 19.904 19.000 0.164 0.000 1.094 693 A HN 0.853 nan 8.150 nan 0.000 0.492 694 G N 0.420 109.356 108.800 0.226 0.000 2.212 694 G HA2 -0.268 3.694 3.960 0.003 0.000 0.266 694 G HA3 -0.268 3.694 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 1.018 46.260 45.100 0.236 0.000 0.632 694 G HN 0.956 nan 8.290 nan 0.000 0.537 695 K N 0.110 120.707 120.400 0.329 0.000 2.211 695 K HA 0.668 4.990 4.320 0.003 0.000 0.275 695 K C -0.874 175.905 176.600 0.298 0.000 1.024 695 K CA -0.979 55.486 56.287 0.297 0.000 0.887 695 K CB 0.804 33.414 32.500 0.185 0.000 1.084 695 K HN 0.376 nan 8.250 nan 0.000 0.463 696 L N 4.712 126.111 121.223 0.293 0.000 2.471 696 L HA 0.325 4.667 4.340 0.003 0.000 0.263 696 L C -1.326 175.578 176.870 0.058 0.000 0.985 696 L CA -0.513 54.388 54.840 0.102 0.000 0.868 696 L CB 1.351 43.396 42.059 -0.024 0.000 1.203 696 L HN 0.615 nan 8.230 nan 0.000 0.429 697 D N 3.803 124.204 120.400 0.001 0.000 2.358 697 D HA 0.277 4.918 4.640 0.003 0.000 0.258 697 D C 1.123 177.399 176.300 -0.040 0.000 1.223 697 D CA 0.776 54.778 54.000 0.003 0.000 0.886 697 D CB 1.907 42.704 40.800 -0.005 0.000 1.120 697 D HN 0.754 nan 8.370 nan 0.000 0.482 698 A N 4.618 127.415 122.820 -0.038 0.000 1.849 698 A HA -0.258 4.064 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 17.904 19.000 -0.196 0.000 0.834 698 A HN 0.853 nan 8.150 nan 0.000 0.447 699 H N -1.058 117.995 119.070 -0.029 0.000 2.389 699 H HA 0.003 4.560 4.556 0.002 0.000 0.299 699 H C 1.987 177.282 175.328 -0.055 0.000 1.081 699 H CA 1.281 57.300 56.048 -0.047 0.000 1.345 699 H CB -0.134 29.597 29.762 -0.051 0.000 1.393 699 H HN 0.426 nan 8.280 nan 0.000 0.520 700 L N 0.068 121.320 121.223 0.049 0.000 2.079 700 L HA -0.171 4.170 4.340 0.003 0.000 0.210 700 L C 1.878 178.697 176.870 -0.084 0.000 1.081 700 L CA 1.051 55.874 54.840 -0.028 0.000 0.752 700 L CB -0.109 41.899 42.059 -0.085 0.000 0.896 700 L HN 0.152 nan 8.230 nan 0.000 0.433 701 V N -0.661 119.192 119.914 -0.102 0.000 3.129 701 V HA -0.142 3.980 4.120 0.003 0.000 0.259 701 V C 2.080 178.121 176.094 -0.089 0.000 1.116 701 V CA 0.642 62.861 62.300 -0.135 0.000 1.127 701 V CB 0.460 32.175 31.823 -0.180 0.000 0.742 701 V HN 0.335 nan 8.190 nan 0.000 0.474 702 L N -0.157 121.040 121.223 -0.044 0.000 2.095 702 L HA 0.001 4.343 4.340 0.003 0.000 0.204 702 L C 2.400 179.275 176.870 0.008 0.000 1.080 702 L CA 1.799 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 4.091 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 1.321 57.700 56.400 -0.035 0.000 0.799 703 E CB 0.047 29.715 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 -0.162 4.180 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 1.863 57.583 55.803 -0.138 0.000 0.859 704 Q CB -0.218 28.430 28.738 -0.149 0.000 0.920 704 Q HN 0.317 nan 8.270 nan 0.000 0.415 705 L N 0.124 121.305 121.223 -0.071 0.000 2.450 705 L HA -0.184 4.158 4.340 0.003 0.000 0.224 705 L C 2.213 179.079 176.870 -0.006 0.000 1.149 705 L CA 0.850 55.670 54.840 -0.034 0.000 0.816 705 L CB -0.308 41.737 42.059 -0.024 0.000 0.932 705 L HN 0.235 nan 8.230 nan 0.000 0.449 706 R N -0.299 120.189 120.500 -0.018 0.000 2.062 706 R HA -0.057 4.284 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 1.423 57.523 56.100 0.001 0.000 0.994 706 R CB -0.531 29.769 30.300 0.001 0.000 0.888 706 R HN 0.512 nan 8.270 nan 0.000 0.442 707 C N 0.715 119.981 119.300 -0.057 0.000 2.491 707 C HA 0.165 4.627 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 -0.019 58.963 59.018 -0.060 0.000 1.758 707 C CB -0.913 26.687 27.740 -0.233 0.000 1.745 707 C HN 0.329 nan 8.230 nan 0.000 0.558 708 N N 0.715 119.393 118.700 -0.038 0.000 2.356 708 N HA 0.152 4.894 4.740 0.003 0.000 0.178 708 N C 1.542 177.000 175.510 -0.086 0.000 1.075 708 N CA 1.204 54.200 53.050 -0.089 0.000 0.889 708 N CB 0.407 38.798 38.487 -0.160 0.000 0.999 708 N HN 0.777 nan 8.380 nan 0.000 0.464 709 G N 0.917 109.747 108.800 0.051 0.000 2.160 709 G HA2 -0.254 3.708 3.960 0.003 0.000 0.244 709 G HA3 -0.254 3.708 3.960 0.003 0.000 0.244 709 G C 1.030 176.069 174.900 0.232 0.000 1.022 709 G CA 0.479 45.695 45.100 0.194 0.000 0.741 709 G HN 0.155 nan 8.290 nan 0.000 0.508 710 V N 0.892 120.903 119.914 0.162 0.000 2.214 710 V HA -0.241 3.881 4.120 0.003 0.000 0.245 710 V C 2.915 179.222 176.094 0.356 0.000 1.047 710 V CA 2.141 64.635 62.300 0.325 0.000 0.998 710 V CB -0.685 31.267 31.823 0.215 0.000 0.633 710 V HN 0.416 nan 8.190 nan 0.000 0.446 711 L N 0.004 121.354 121.223 0.210 0.000 1.976 711 L HA -0.271 4.071 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 2.562 57.510 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 0.453 nan 8.230 nan 0.000 0.438 712 E N 0.032 120.396 120.200 0.273 0.000 2.070 712 E HA -0.175 4.177 4.350 0.003 0.000 0.197 712 E C 2.172 178.977 176.600 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 0.078 109.120 108.800 0.404 0.000 2.516 713 G HA2 -0.224 3.738 3.960 0.003 0.000 0.221 713 G HA3 -0.224 3.738 3.960 0.003 0.000 0.221 713 G C 1.463 176.644 174.900 0.468 0.000 1.107 713 G CA 0.900 46.173 45.100 0.288 0.000 0.747 713 G HN 0.229 nan 8.290 nan 0.000 0.567 714 I N -1.472 119.312 120.570 0.358 0.000 3.339 714 I HA 0.143 4.315 4.170 0.003 0.000 0.285 714 I C 2.741 178.959 176.117 0.170 0.000 1.201 714 I CA -0.213 61.215 61.300 0.213 0.000 1.434 714 I CB 0.004 38.077 38.000 0.122 0.000 1.152 714 I HN -0.048 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 4.117 4.340 0.003 0.000 0.239 715 R C 2.315 178.776 176.300 0.269 0.000 1.137 715 R CA 1.846 58.103 56.100 0.261 0.000 0.943 715 R CB -0.564 29.993 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 3.903 4.170 0.003 0.000 0.251 716 I C 1.955 178.174 176.117 0.170 0.000 1.133 716 I CA 1.203 62.655 61.300 0.253 0.000 1.413 716 I CB -0.275 37.775 38.000 0.084 0.000 1.073 716 I HN 0.204 nan 8.210 nan 0.000 0.424 717 C N 0.764 120.137 119.300 0.121 0.000 2.422 717 C HA -0.112 4.349 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 1.232 60.307 59.018 0.094 0.000 1.757 717 C CB -1.580 26.208 27.740 0.081 0.000 1.962 717 C HN 0.616 nan 8.230 nan 0.000 0.499 718 R N 0.365 120.914 120.500 0.082 0.000 2.105 718 R HA 0.023 4.365 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 0.832 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 1.118 120.995 119.800 0.128 0.000 1.967 719 Q HA 0.050 4.392 4.340 0.003 0.000 0.202 719 Q C 1.369 177.493 176.000 0.205 0.000 0.985 719 Q CA 1.829 57.746 55.803 0.190 0.000 0.839 719 Q CB -0.711 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 0.274 0.000 2.494 720 G HA2 0.350 4.312 3.960 0.003 0.000 0.270 720 G HA3 0.350 4.312 3.960 0.003 0.000 0.270 720 G C -0.903 174.032 174.900 0.059 0.000 1.423 720 G CA -0.500 44.727 45.100 0.210 0.000 1.055 720 G HN 0.131 nan 8.290 nan 0.000 0.536 721 F N -0.274 119.698 119.950 0.036 0.000 2.453 721 F HA 0.386 4.914 4.527 0.002 0.000 0.358 721 F C -1.849 174.153 175.800 0.336 0.000 1.129 721 F CA -2.810 55.309 58.000 0.198 0.000 1.200 721 F CB 1.863 40.978 39.000 0.192 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 -0.273 177.158 177.300 0.217 0.000 1.172 722 P CA 0.969 64.217 63.100 0.246 0.000 0.759 722 P CB 0.158 31.947 31.700 0.148 0.000 0.843 723 N N 0.713 119.587 118.700 0.291 0.000 2.296 723 N HA 0.299 5.041 4.740 0.003 0.000 0.294 723 N C -0.322 175.310 175.510 0.204 0.000 1.033 723 N CA -0.509 52.683 53.050 0.236 0.000 0.839 723 N CB 2.117 40.773 38.487 0.282 0.000 1.395 723 N HN 0.057 nan 8.380 nan 0.000 0.479 724 R N 1.617 122.130 120.500 0.022 0.000 2.740 724 R HA 0.699 5.041 4.340 0.003 0.000 0.273 724 R C -1.446 174.785 176.300 -0.115 0.000 0.998 724 R CA -0.764 55.178 56.100 -0.264 0.000 0.900 724 R CB 1.849 31.663 30.300 -0.810 0.000 1.223 724 R HN 0.515 nan 8.270 nan 0.000 0.466 725 I N 2.362 122.862 120.570 -0.117 0.000 2.722 725 I HA 0.224 4.396 4.170 0.003 0.000 0.292 725 I C -1.123 174.965 176.117 -0.048 0.000 1.267 725 I CA -1.125 60.190 61.300 0.024 0.000 1.036 725 I CB 2.395 40.576 38.000 0.300 0.000 1.281 725 I HN 0.610 nan 8.210 nan 0.000 0.423 726 V N 7.479 127.350 119.914 -0.072 0.000 2.715 726 V HA 0.074 4.195 4.120 0.003 0.000 0.299 726 V C 0.846 176.984 176.094 0.073 0.000 1.054 726 V CA 0.345 62.561 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 3.587 123.532 119.950 -0.009 0.000 2.204 727 F HA -0.228 4.301 4.527 0.003 0.000 0.301 727 F C 2.123 177.967 175.800 0.073 0.000 1.058 727 F CA 2.193 60.206 58.000 0.021 0.000 1.313 727 F CB -1.079 37.916 39.000 -0.008 0.000 1.051 727 F HN 0.767 nan 8.300 nan 0.000 0.505 728 Q N 0.635 120.566 119.800 0.219 0.000 2.134 728 Q HA -0.099 4.243 4.340 0.003 0.000 0.195 728 Q C 1.834 177.889 176.000 0.092 0.000 0.958 728 Q CA 1.598 57.483 55.803 0.137 0.000 0.840 728 Q CB -0.494 28.291 28.738 0.078 0.000 0.918 728 Q HN 0.288 nan 8.270 nan 0.000 0.467 729 E N -0.484 119.756 120.200 0.067 0.000 2.204 729 E HA -0.074 4.277 4.350 0.003 0.000 0.195 729 E C 1.278 177.854 176.600 -0.040 0.000 0.990 729 E CA 0.992 57.389 56.400 -0.007 0.000 0.821 729 E CB -0.208 29.481 29.700 -0.018 0.000 0.750 729 E HN 0.435 nan 8.360 nan 0.000 0.477 730 F N 0.921 120.852 119.950 -0.031 0.000 2.128 730 F HA -0.059 4.469 4.527 0.002 0.000 0.295 730 F C 2.180 177.959 175.800 -0.035 0.000 1.100 730 F CA 1.289 59.276 58.000 -0.021 0.000 1.260 730 F CB 0.077 39.182 39.000 0.175 0.000 1.009 730 F HN -0.144 nan 8.300 nan 0.000 0.476 731 R N 0.465 121.114 120.500 0.249 0.000 2.339 731 R HA -0.091 4.251 4.340 0.003 0.000 0.199 731 R C 1.702 177.991 176.300 -0.019 0.000 1.018 731 R CA 1.328 57.511 56.100 0.139 0.000 1.036 731 R CB -0.510 29.885 30.300 0.158 0.000 0.899 731 R HN 0.430 nan 8.270 nan 0.000 0.473 732 Q N 0.201 119.948 119.800 -0.089 0.000 2.159 732 Q HA 0.087 4.429 4.340 0.003 0.000 0.194 732 Q C 2.021 177.885 176.000 -0.226 0.000 0.968 732 Q CA 1.309 57.038 55.803 -0.124 0.000 0.837 732 Q CB -0.137 28.542 28.738 -0.098 0.000 0.920 732 Q HN 0.320 nan 8.270 nan 0.000 0.485 733 R N -1.045 119.199 120.500 -0.427 0.000 2.062 733 R HA -0.087 4.255 4.340 0.003 0.000 0.231 733 R C 0.600 176.619 176.300 -0.468 0.000 1.136 733 R CA 1.541 57.289 56.100 -0.588 0.000 0.948 733 R CB -0.085 29.579 30.300 -1.061 0.000 0.845 733 R HN 0.311 nan 8.270 nan 0.000 0.430 734 Y N 0.198 120.311 120.300 -0.312 0.000 2.746 734 Y HA 0.230 4.781 4.550 0.002 0.000 0.312 734 Y C 1.085 176.860 175.900 -0.209 0.000 1.117 734 Y CA -0.581 57.333 58.100 -0.311 0.000 1.324 734 Y CB -0.270 37.882 38.460 -0.513 0.000 1.173 734 Y HN 0.258 nan 8.280 nan 0.000 0.529 735 E N 1.024 121.197 120.200 -0.045 0.000 2.112 735 E HA -0.118 4.234 4.350 0.003 0.000 0.190 735 E C 1.952 178.551 176.600 -0.003 0.000 0.979 735 E CA 0.715 57.108 56.400 -0.012 0.000 0.814 735 E CB -0.136 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 0.784 121.348 120.570 -0.010 0.000 2.623 736 I HA -0.245 3.927 4.170 0.003 0.000 0.261 736 I C 1.444 177.558 176.117 -0.005 0.000 1.204 736 I CA 0.813 62.107 61.300 -0.010 0.000 1.444 736 I CB 0.107 38.099 38.000 -0.013 0.000 1.094 736 I HN 0.323 nan 8.210 nan 0.000 0.451 737 L N 0.542 121.767 121.223 0.004 0.000 2.162 737 L HA 0.081 4.423 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 55.524 54.840 -0.004 0.000 0.778 737 L CB -0.438 41.609 42.059 -0.020 0.000 0.928 737 L HN 0.230 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 4.942 4.320 0.003 0.000 0.338 738 A C 0.864 178.458 177.584 0.015 0.000 1.280 738 A CA -0.032 52.020 52.037 0.025 0.000 0.809 738 A CB 0.737 19.765 19.000 0.046 0.000 1.114 738 A HN 0.194 nan 8.150 nan 0.000 0.479 739 A N 1.584 124.407 122.820 0.005 0.000 2.066 739 A HA -0.039 4.283 4.320 0.003 0.000 0.218 739 A C 1.114 178.694 177.584 -0.005 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 -0.008 0.000 0.804 739 A HN 0.713 nan 8.150 nan 0.000 0.453 740 N N -0.900 117.801 118.700 0.001 0.000 2.238 740 N HA 0.279 5.021 4.740 0.003 0.000 0.235 740 N C 1.082 176.595 175.510 0.005 0.000 1.209 740 N CA 0.722 53.772 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 0.894 123.721 122.820 0.013 0.000 1.903 741 A HA 0.172 4.494 4.320 0.003 0.000 0.213 741 A C 0.879 178.471 177.584 0.012 0.000 1.185 741 A CA 0.711 52.760 52.037 0.020 0.000 0.628 741 A CB -0.054 18.968 19.000 0.036 0.000 0.830 741 A HN 0.110 nan 8.150 nan 0.000 0.446 742 I N 1.294 121.869 120.570 0.008 0.000 2.331 742 I HA 0.327 4.499 4.170 0.003 0.000 0.292 742 I C -2.208 173.899 176.117 -0.017 0.000 0.998 742 I CA -2.144 59.155 61.300 -0.002 0.000 1.267 742 I CB 1.209 39.209 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 0.730 177.993 177.300 -0.062 0.000 1.233 743 P CA -0.546 62.535 63.100 -0.030 0.000 0.789 743 P CB 0.662 32.351 31.700 -0.019 0.000 0.951 744 K N 0.787 121.146 120.400 -0.070 0.000 2.152 744 K HA -0.081 4.241 4.320 0.003 0.000 0.206 744 K C 1.066 177.553 176.600 -0.187 0.000 1.048 744 K CA 1.331 57.552 56.287 -0.111 0.000 0.933 744 K CB -0.755 31.694 32.500 -0.084 0.000 0.721 744 K HN 0.688 nan 8.250 nan 0.000 0.447 745 G N 0.231 108.948 108.800 -0.140 0.000 2.651 745 G HA2 0.257 4.219 3.960 0.003 0.000 0.260 745 G HA3 0.257 4.219 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 -0.936 119.016 119.950 0.003 0.000 2.331 746 F HA 0.640 5.169 4.527 0.003 0.000 0.293 746 F C 0.806 176.607 175.800 0.003 0.000 1.277 746 F CA 0.167 58.169 58.000 0.004 0.000 1.204 746 F CB 0.682 39.685 39.000 0.005 0.000 1.374 746 F HN 0.347 nan 8.300 nan 0.000 0.520 747 M N 0.312 120.054 119.600 0.236 0.000 2.860 747 M HA 0.110 4.592 4.480 0.003 0.000 0.270 747 M C -2.065 174.289 176.300 0.090 0.000 0.988 747 M CA -0.801 54.569 55.300 0.116 0.000 0.807 747 M CB 1.295 33.932 32.600 0.063 0.000 1.708 747 M HN 0.596 nan 8.290 nan 0.000 0.558 748 D N 2.030 122.461 120.400 0.052 0.000 2.472 748 D HA 0.233 4.875 4.640 0.003 0.000 0.248 748 D C 1.292 177.603 176.300 0.018 0.000 1.174 748 D CA 1.689 55.711 54.000 0.036 0.000 0.883 748 D CB 1.140 41.949 40.800 0.016 0.000 1.149 748 D HN 0.646 nan 8.370 nan 0.000 0.488 749 G N 4.987 113.821 108.800 0.056 0.000 2.703 749 G HA2 -0.425 3.537 3.960 0.003 0.000 0.222 749 G HA3 -0.425 3.537 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 1.316 46.456 45.100 0.067 0.000 0.775 749 G HN 0.631 nan 8.290 nan 0.000 0.615 750 K N -0.252 120.011 120.400 -0.229 0.000 1.968 750 K HA -0.196 4.126 4.320 0.003 0.000 0.222 750 K C 2.473 178.790 176.600 -0.471 0.000 1.043 750 K CA 1.764 57.554 56.287 -0.828 0.000 0.991 750 K CB -0.674 31.475 32.500 -0.584 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 -0.257 0.000 2.142 751 Q HA -0.243 4.098 4.340 0.003 0.000 0.213 751 Q C 1.854 177.783 176.000 -0.119 0.000 1.004 751 Q CA 2.484 58.194 55.803 -0.155 0.000 0.883 751 Q CB -0.403 28.289 28.738 -0.076 0.000 0.939 751 Q HN 0.529 nan 8.270 nan 0.000 0.413 752 A N 0.049 122.819 122.820 -0.082 0.000 2.024 752 A HA -0.201 4.121 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 1.774 53.792 52.037 -0.033 0.000 0.643 752 A CB -1.023 17.980 19.000 0.006 0.000 0.806 752 A HN 0.760 nan 8.150 nan 0.000 0.451 753 C N -2.401 116.848 119.300 -0.085 0.000 2.674 753 C HA 0.328 4.789 4.460 0.003 0.000 0.276 753 C C 2.112 177.047 174.990 -0.092 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 0.007 0.000 2.076 753 C HN 0.372 nan 8.230 nan 0.000 0.548 754 I N 1.206 121.661 120.570 -0.192 0.000 2.614 754 I HA -0.028 4.144 4.170 0.003 0.000 0.258 754 I C 2.274 178.344 176.117 -0.078 0.000 1.189 754 I CA 1.054 62.239 61.300 -0.190 0.000 1.462 754 I CB -0.560 37.326 38.000 -0.190 0.000 1.092 754 I HN 0.247 nan 8.210 nan 0.000 0.442 755 L N 0.018 121.217 121.223 -0.039 0.000 1.976 755 L HA -0.178 4.164 4.340 0.003 0.000 0.209 755 L C 2.449 179.340 176.870 0.034 0.000 1.071 755 L CA 2.036 56.876 54.840 0.001 0.000 0.746 755 L CB -0.818 41.244 42.059 0.005 0.000 0.890 755 L HN 0.323 nan 8.230 nan 0.000 0.432 756 M N -2.886 116.754 119.600 0.065 0.000 2.700 756 M HA -0.078 4.404 4.480 0.003 0.000 0.249 756 M C 1.772 178.164 176.300 0.153 0.000 1.082 756 M CA 1.516 56.886 55.300 0.117 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 0.234 120.862 120.570 0.096 0.000 2.703 757 I HA -0.073 4.099 4.170 0.003 0.000 0.259 757 I C 2.050 178.230 176.117 0.104 0.000 1.151 757 I CA 0.613 61.964 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 0.076 0.000 2.228 758 K HA 0.077 4.398 4.320 0.003 0.000 0.202 758 K C 2.044 178.692 176.600 0.079 0.000 1.051 758 K CA 1.012 57.348 56.287 0.083 0.000 0.960 758 K CB -0.262 32.273 32.500 0.059 0.000 0.743 758 K HN 0.201 nan 8.250 nan 0.000 0.458 759 A N 0.901 123.767 122.820 0.076 0.000 2.067 759 A HA -0.042 4.280 4.320 0.003 0.000 0.219 759 A C 1.844 179.474 177.584 0.076 0.000 1.158 759 A CA 0.977 53.054 52.037 0.067 0.000 0.661 759 A CB -0.347 18.692 19.000 0.064 0.000 0.801 759 A HN 0.213 nan 8.150 nan 0.000 0.452 760 L N -1.604 119.679 121.223 0.101 0.000 2.693 760 L HA 0.188 4.529 4.340 0.003 0.000 0.235 760 L C -0.014 176.921 176.870 0.109 0.000 1.127 760 L CA -0.013 54.889 54.840 0.103 0.000 0.914 760 L CB -0.335 41.798 42.059 0.125 0.000 1.193 760 L HN 0.360 nan 8.230 nan 0.000 0.502 761 E N 0.978 121.244 120.200 0.110 0.000 2.328 761 E HA -0.215 4.136 4.350 0.003 0.000 0.233 761 E C 0.038 176.719 176.600 0.135 0.000 1.219 761 E CA 0.087 56.552 56.400 0.109 0.000 0.717 761 E CB -0.945 28.800 29.700 0.076 0.000 1.210 761 E HN 0.251 nan 8.360 nan 0.000 0.381 762 L N 1.399 122.741 121.223 0.197 0.000 2.490 762 L HA 0.009 4.351 4.340 0.003 0.000 0.274 762 L C 1.023 178.034 176.870 0.236 0.000 1.201 762 L CA 0.935 55.924 54.840 0.250 0.000 0.869 762 L CB 0.327 42.625 42.059 0.399 0.000 1.123 762 L HN 0.237 nan 8.230 nan 0.000 0.484 763 D N 6.834 127.315 120.400 0.136 0.000 2.425 763 D HA 0.035 4.677 4.640 0.003 0.000 0.247 763 D C -1.700 174.557 176.300 -0.072 0.000 1.147 763 D CA -1.179 52.849 54.000 0.047 0.000 0.879 763 D CB 1.494 42.303 40.800 0.016 0.000 1.179 763 D HN 0.305 nan 8.370 nan 0.000 0.456 764 P HA -0.052 nan 4.420 nan 0.000 0.274 764 P C 0.305 177.415 177.300 -0.315 0.000 1.370 764 P CA 0.541 63.395 63.100 -0.410 0.000 0.760 764 P CB -0.012 31.588 31.700 -0.166 0.000 1.308 765 N N -0.727 117.860 118.700 -0.187 0.000 2.168 765 N HA 0.098 4.839 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 -0.020 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 0.488 121.714 121.223 0.004 0.000 2.102 766 L HA 0.072 4.414 4.340 0.003 0.000 0.202 766 L C 1.124 178.215 176.870 0.367 0.000 1.076 766 L CA 0.746 55.672 54.840 0.143 0.000 0.761 766 L CB -0.669 41.507 42.059 0.194 0.000 0.921 766 L HN 0.138 nan 8.230 nan 0.000 0.444 767 Y N -0.926 119.617 120.300 0.406 0.000 2.565 767 Y HA 0.785 5.336 4.550 0.002 0.000 0.325 767 Y C -0.296 175.777 175.900 0.288 0.000 1.221 767 Y CA -1.908 56.423 58.100 0.384 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 1.900 122.650 120.500 0.417 0.000 2.659 768 R HA 0.355 4.697 4.340 0.003 0.000 0.290 768 R C -1.815 174.559 176.300 0.124 0.000 1.253 768 R CA -0.856 55.313 56.100 0.115 0.000 1.010 768 R CB 0.499 30.481 30.300 -0.531 0.000 1.236 768 R HN 0.750 nan 8.270 nan 0.000 0.413 769 I N 2.250 122.928 120.570 0.180 0.000 2.588 769 I HA 0.316 4.488 4.170 0.003 0.000 0.283 769 I C 1.331 177.541 176.117 0.156 0.000 1.119 769 I CA 0.576 61.944 61.300 0.113 0.000 1.419 769 I CB 0.917 38.950 38.000 0.055 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 4.159 3.960 0.003 0.000 0.151 770 G HA3 0.197 4.159 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 -0.802 119.053 119.800 0.093 0.000 2.178 771 Q HA 0.032 4.374 4.340 0.003 0.000 0.195 771 Q C 2.648 178.598 176.000 -0.083 0.000 0.960 771 Q CA 1.837 57.679 55.803 0.065 0.000 0.843 771 Q CB 0.159 28.913 28.738 0.026 0.000 0.927 771 Q HN 0.560 nan 8.270 nan 0.000 0.487 772 S N -0.824 114.634 115.700 -0.404 0.000 2.554 772 S HA 0.163 4.634 4.470 0.003 0.000 0.227 772 S C 0.418 174.133 174.600 -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 0.358 120.145 120.400 -1.022 0.000 2.444 773 K HA 0.710 5.032 4.320 0.003 0.000 0.252 773 K C -1.274 175.106 176.600 -0.367 0.000 0.993 773 K CA -1.058 54.779 56.287 -0.750 0.000 0.847 773 K CB 1.408 33.597 32.500 -0.518 0.000 1.340 773 K HN 0.140 nan 8.250 nan 0.000 0.446 774 I N 1.220 121.644 120.570 -0.242 0.000 2.437 774 I HA 0.317 4.489 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 -0.919 60.214 61.300 -0.278 0.000 1.214 774 I CB 0.848 38.502 38.000 -0.577 0.000 1.365 774 I HN 0.442 nan 8.210 nan 0.000 0.469 775 F N 5.347 125.094 119.950 -0.339 0.000 2.332 775 F HA 0.447 4.975 4.527 0.002 0.000 0.368 775 F C -0.110 175.676 175.800 -0.024 0.000 1.110 775 F CA -0.321 57.584 58.000 -0.159 0.000 1.087 775 F CB 0.605 39.478 39.000 -0.213 0.000 1.235 775 F HN 0.177 nan 8.300 nan 0.000 0.470 776 F N 1.789 121.998 119.950 0.433 0.000 2.411 776 F HA 0.639 5.167 4.527 0.002 0.000 0.324 776 F C 0.629 176.673 175.800 0.406 0.000 1.086 776 F CA -0.935 57.327 58.000 0.436 0.000 1.028 776 F CB 0.757 39.944 39.000 0.311 0.000 1.284 776 F HN 0.208 nan 8.300 nan 0.000 0.501 777 R N -0.362 120.435 120.500 0.495 0.000 2.573 777 R HA 0.419 4.761 4.340 0.003 0.000 0.272 777 R C -0.760 175.644 176.300 0.173 0.000 1.009 777 R CA -0.550 55.657 56.100 0.179 0.000 1.059 777 R CB 0.730 31.042 30.300 0.021 0.000 1.112 777 R HN 0.728 nan 8.270 nan 0.000 0.517 778 T N 0.856 115.471 114.554 0.102 0.000 2.933 778 T HA 0.229 4.580 4.350 0.003 0.000 0.306 778 T C 1.271 176.021 174.700 0.084 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 0.068 0.000 1.003 778 T HN 0.794 nan 8.240 nan 0.000 0.540 779 G N 1.494 110.347 108.800 0.089 0.000 2.377 779 G HA2 -0.356 3.606 3.960 0.003 0.000 0.250 779 G HA3 -0.356 3.606 3.960 0.003 0.000 0.250 779 G C 1.051 175.986 174.900 0.059 0.000 1.039 779 G CA 0.326 45.472 45.100 0.077 0.000 0.625 779 G HN 0.738 nan 8.290 nan 0.000 0.526 780 V N 0.639 120.585 119.914 0.052 0.000 2.392 780 V HA -0.116 4.005 4.120 0.003 0.000 0.249 780 V C 2.682 178.717 176.094 -0.097 0.000 1.059 780 V CA 2.084 64.384 62.300 0.001 0.000 1.051 780 V CB -0.425 31.430 31.823 0.052 0.000 0.658 780 V HN 0.374 nan 8.190 nan 0.000 0.455 781 L N 0.041 121.213 121.223 -0.084 0.000 2.240 781 L HA 0.142 4.484 4.340 0.003 0.000 0.211 781 L C 2.501 179.333 176.870 -0.062 0.000 1.106 781 L CA 1.818 56.583 54.840 -0.125 0.000 0.793 781 L CB -1.415 40.664 42.059 0.033 0.000 0.927 781 L HN 0.288 nan 8.230 nan 0.000 0.446 782 A N -0.948 121.887 122.820 0.026 0.000 1.877 782 A HA -0.306 4.015 4.320 0.003 0.000 0.216 782 A C 2.283 179.888 177.584 0.036 0.000 1.186 782 A CA 1.904 53.984 52.037 0.072 0.000 0.620 782 A CB -0.885 18.204 19.000 0.150 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 -0.040 4.518 4.556 0.002 0.000 0.300 783 H C 1.776 177.000 175.328 -0.173 0.000 1.090 783 H CA 1.528 57.517 56.048 -0.097 0.000 1.327 783 H CB -0.131 29.577 29.762 -0.090 0.000 1.383 783 H HN 0.242 nan 8.280 nan 0.000 0.508 784 L N 0.765 121.779 121.223 -0.349 0.000 2.046 784 L HA -0.135 4.207 4.340 0.003 0.000 0.208 784 L C 2.368 178.851 176.870 -0.644 0.000 1.077 784 L CA 1.982 56.426 54.840 -0.659 0.000 0.747 784 L CB -1.115 40.366 42.059 -0.964 0.000 0.896 784 L HN 0.438 nan 8.230 nan 0.000 0.432 785 E N 0.049 120.027 120.200 -0.371 0.000 2.047 785 E HA -0.235 4.116 4.350 0.003 0.000 0.191 785 E C 2.038 178.576 176.600 -0.103 0.000 0.987 785 E CA 1.425 57.758 56.400 -0.110 0.000 0.799 785 E CB 0.018 29.729 29.700 0.018 0.000 0.752 785 E HN 0.388 nan 8.360 nan 0.000 0.449 786 E N 0.157 120.287 120.200 -0.116 0.000 2.035 786 E HA -0.292 4.060 4.350 0.003 0.000 0.204 786 E C 1.962 178.481 176.600 -0.136 0.000 1.025 786 E CA 1.943 58.290 56.400 -0.089 0.000 0.835 786 E CB -0.075 29.574 29.700 -0.086 0.000 0.764 786 E HN 0.241 nan 8.360 nan 0.000 0.457 787 E N 0.086 120.131 120.200 -0.258 0.000 2.068 787 E HA -0.319 4.032 4.350 0.003 0.000 0.207 787 E C 2.231 178.753 176.600 -0.130 0.000 1.032 787 E CA 1.643 57.907 56.400 -0.226 0.000 0.839 787 E CB -0.546 28.951 29.700 -0.338 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 -0.121 0.000 2.117 788 R HA -0.192 4.150 4.340 0.003 0.000 0.243 788 R C 1.489 177.775 176.300 -0.024 0.000 1.143 788 R CA 2.082 58.158 56.100 -0.039 0.000 0.968 788 R CB -0.131 30.197 30.300 0.046 0.000 0.863 788 R HN 0.047 nan 8.270 nan 0.000 0.444 789 D N -0.093 120.291 120.400 -0.026 0.000 2.312 789 D HA -0.076 4.565 4.640 0.003 0.000 0.211 789 D C 1.506 177.798 176.300 -0.014 0.000 0.964 789 D CA 0.648 54.642 54.000 -0.012 0.000 0.877 789 D CB 0.169 40.967 40.800 -0.003 0.000 0.924 789 D HN 0.198 nan 8.370 nan 0.000 0.515 790 L N 0.161 121.367 121.223 -0.028 0.000 2.145 790 L HA 0.050 4.392 4.340 0.003 0.000 0.201 790 L C 2.067 178.925 176.870 -0.021 0.000 1.075 790 L CA 0.902 55.728 54.840 -0.024 0.000 0.773 790 L CB -0.082 41.955 42.059 -0.036 0.000 0.936 790 L HN -0.211 nan 8.230 nan 0.000 0.451 791 K N 0.363 120.746 120.400 -0.028 0.000 2.362 791 K HA -0.118 4.204 4.320 0.003 0.000 0.202 791 K C 1.562 178.153 176.600 -0.015 0.000 1.045 791 K CA 1.522 57.795 56.287 -0.023 0.000 0.936 791 K CB -0.104 32.380 32.500 -0.027 0.000 0.747 791 K HN 0.494 nan 8.250 nan 0.000 0.467 792 I N -4.065 116.498 120.570 -0.012 0.000 4.240 792 I HA 0.061 4.232 4.170 0.003 0.000 0.331 792 I C 1.409 177.528 176.117 0.004 0.000 1.381 792 I CA -0.223 61.073 61.300 -0.007 0.000 1.136 792 I CB 0.165 38.157 38.000 -0.013 0.000 1.137 792 I HN -0.245 nan 8.210 nan 0.000 0.411 793 T N 1.501 116.058 114.554 0.005 0.000 2.570 793 T HA -0.259 4.092 4.350 0.003 0.000 0.266 793 T C 1.330 176.043 174.700 0.022 0.000 1.071 793 T CA 2.435 64.543 62.100 0.014 0.000 1.172 793 T CB -1.099 67.775 68.868 0.009 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 0.016 0.000 2.177 794 D HA -0.183 4.458 4.640 0.003 0.000 0.189 794 D C 2.166 178.486 176.300 0.034 0.000 1.002 794 D CA 1.577 55.589 54.000 0.020 0.000 0.845 794 D CB -1.390 39.417 40.800 0.013 0.000 0.960 794 D HN 0.417 nan 8.370 nan 0.000 0.447 795 V N 0.810 120.743 119.914 0.031 0.000 2.278 795 V HA -0.299 3.823 4.120 0.003 0.000 0.251 795 V C 2.524 178.673 176.094 0.091 0.000 1.062 795 V CA 1.612 63.940 62.300 0.046 0.000 1.038 795 V CB -0.745 31.088 31.823 0.017 0.000 0.646 795 V HN 0.211 nan 8.190 nan 0.000 0.447 796 I N -0.312 120.306 120.570 0.080 0.000 2.163 796 I HA -0.238 3.934 4.170 0.003 0.000 0.243 796 I C 2.465 178.660 176.117 0.130 0.000 1.085 796 I CA 1.822 63.198 61.300 0.127 0.000 1.347 796 I CB -1.061 36.988 38.000 0.081 0.000 1.044 796 I HN 0.272 nan 8.210 nan 0.000 0.408 797 I N 0.983 121.597 120.570 0.073 0.000 2.151 797 I HA -0.333 3.839 4.170 0.003 0.000 0.243 797 I C 2.738 178.883 176.117 0.047 0.000 1.080 797 I CA 1.784 63.112 61.300 0.046 0.000 1.339 797 I CB -0.275 37.742 38.000 0.028 0.000 1.039 797 I HN 0.187 nan 8.210 nan 0.000 0.409 798 A N 0.236 123.096 122.820 0.066 0.000 1.851 798 A HA -0.309 4.013 4.320 0.003 0.000 0.216 798 A C 2.251 179.888 177.584 0.088 0.000 1.195 798 A CA 2.076 54.153 52.037 0.067 0.000 0.622 798 A CB -1.257 17.789 19.000 0.076 0.000 0.831 798 A HN 0.476 nan 8.150 nan 0.000 0.444 799 F N 0.476 120.422 119.950 -0.006 0.000 2.046 799 F HA -0.245 4.284 4.527 0.002 0.000 0.297 799 F C 2.443 178.241 175.800 -0.004 0.000 1.123 799 F CA 2.388 60.383 58.000 -0.008 0.000 1.199 799 F CB -0.935 38.056 39.000 -0.015 0.000 0.972 799 F HN 0.350 nan 8.300 nan 0.000 0.474 800 Q N 0.144 119.866 119.800 -0.130 0.000 2.182 800 Q HA -0.328 4.014 4.340 0.003 0.000 0.213 800 Q C 2.332 178.197 176.000 -0.224 0.000 1.000 800 Q CA 2.528 58.208 55.803 -0.204 0.000 0.889 800 Q CB -0.665 28.049 28.738 -0.040 0.000 0.932 800 Q HN 0.607 nan 8.270 nan 0.000 0.415 801 A N 0.565 123.302 122.820 -0.138 0.000 1.834 801 A HA -0.292 4.029 4.320 0.003 0.000 0.216 801 A C 1.931 179.440 177.584 -0.126 0.000 1.203 801 A CA 1.836 53.813 52.037 -0.099 0.000 0.621 801 A CB -0.819 18.151 19.000 -0.051 0.000 0.841 801 A HN 0.443 nan 8.150 nan 0.000 0.446 802 Q N -0.726 118.987 119.800 -0.144 0.000 2.217 802 Q HA -0.249 4.093 4.340 0.003 0.000 0.209 802 Q C 2.402 178.314 176.000 -0.146 0.000 0.988 802 Q CA 1.764 57.498 55.803 -0.115 0.000 0.878 802 Q CB -0.782 27.900 28.738 -0.095 0.000 0.909 802 Q HN 0.786 nan 8.270 nan 0.000 0.424 803 C N 0.281 119.385 119.300 -0.327 0.000 2.453 803 C HA -0.088 4.373 4.460 0.003 0.000 0.277 803 C C 2.677 177.624 174.990 -0.071 0.000 1.262 803 C CA 0.538 59.393 59.018 -0.271 0.000 1.718 803 C CB -0.876 26.597 27.740 -0.445 0.000 2.031 803 C HN 0.493 nan 8.230 nan 0.000 0.480 804 R N 0.836 121.284 120.500 -0.086 0.000 2.120 804 R HA -0.022 4.320 4.340 0.003 0.000 0.234 804 R C 2.334 178.629 176.300 -0.008 0.000 1.123 804 R CA 1.522 57.601 56.100 -0.035 0.000 0.975 804 R CB -0.683 29.590 30.300 -0.045 0.000 0.866 804 R HN 0.649 nan 8.270 nan 0.000 0.446 805 G N 0.412 109.206 108.800 -0.011 0.000 2.575 805 G HA2 -0.355 3.606 3.960 0.003 0.000 0.215 805 G HA3 -0.355 3.606 3.960 0.003 0.000 0.215 805 G C 1.114 176.041 174.900 0.045 0.000 1.262 805 G CA 0.912 46.015 45.100 0.005 0.000 0.807 805 G HN 0.313 nan 8.290 nan 0.000 0.567 806 Y N 1.073 121.344 120.300 -0.048 0.000 1.967 806 Y HA -0.254 4.298 4.550 0.003 0.000 0.260 806 Y C 2.598 178.492 175.900 -0.010 0.000 1.181 806 Y CA 2.319 60.405 58.100 -0.023 0.000 1.097 806 Y CB -0.707 37.732 38.460 -0.035 0.000 0.934 806 Y HN 0.125 nan 8.280 nan 0.000 0.492 807 L N -0.577 120.805 121.223 0.265 0.000 2.357 807 L HA -0.304 4.038 4.340 0.003 0.000 0.220 807 L C 2.145 179.032 176.870 0.029 0.000 1.123 807 L CA 1.368 56.298 54.840 0.150 0.000 0.782 807 L CB -0.541 41.589 42.059 0.118 0.000 0.910 807 L HN 0.558 nan 8.230 nan 0.000 0.442 808 A N -0.139 122.685 122.820 0.007 0.000 1.884 808 A HA -0.051 4.271 4.320 0.003 0.000 0.212 808 A C 2.093 179.695 177.584 0.029 0.000 1.265 808 A CA 0.436 52.476 52.037 0.005 0.000 0.626 808 A CB -0.370 18.620 19.000 -0.016 0.000 0.943 808 A HN 0.367 nan 8.150 nan 0.000 0.466 809 R N 0.868 121.368 120.500 -0.000 0.000 2.174 809 R HA -0.191 4.150 4.340 0.003 0.000 0.253 809 R C 1.502 177.886 176.300 0.139 0.000 1.165 809 R CA 1.591 57.739 56.100 0.080 0.000 0.984 809 R CB -0.786 29.514 30.300 0.000 0.000 0.873 809 R HN 0.443 nan 8.270 nan 0.000 0.456 810 K N 0.898 121.269 120.400 -0.047 0.000 2.021 810 K HA 0.099 4.420 4.320 0.003 0.000 0.205 810 K C 2.173 178.751 176.600 -0.038 0.000 1.047 810 K CA 1.174 57.402 56.287 -0.099 0.000 0.943 810 K CB -0.235 32.112 32.500 -0.255 0.000 0.725 810 K HN 0.229 nan 8.250 nan 0.000 0.439 811 A N 1.110 123.930 122.820 0.000 0.000 2.172 811 A HA -0.095 4.226 4.320 0.003 0.000 0.216 811 A C 1.829 179.441 177.584 0.048 0.000 1.154 811 A CA 0.750 52.794 52.037 0.012 0.000 0.701 811 A CB -0.580 18.433 19.000 0.022 0.000 0.789 811 A HN 0.397 nan 8.150 nan 0.000 0.465 812 F N 0.181 120.099 119.950 -0.053 0.000 2.188 812 F HA 0.327 4.856 4.527 0.003 0.000 0.289 812 F C 1.990 177.765 175.800 -0.043 0.000 1.082 812 F CA 0.874 58.848 58.000 -0.044 0.000 1.282 812 F CB -0.554 38.420 39.000 -0.044 0.000 1.060 812 F HN 0.099 nan 8.300 nan 0.000 0.493 813 A N 0.557 122.947 122.820 -0.717 0.000 2.277 813 A HA -0.069 4.253 4.320 0.003 0.000 0.208 813 A C 1.919 179.263 177.584 -0.400 0.000 1.202 813 A CA 1.478 53.041 52.037 -0.791 0.000 0.762 813 A CB -1.030 17.769 19.000 -0.335 0.000 0.770 813 A HN 0.644 nan 8.150 nan 0.000 0.487 814 K N -0.745 119.487 120.400 -0.279 0.000 2.172 814 K HA 0.128 4.450 4.320 0.003 0.000 0.203 814 K C 1.692 178.198 176.600 -0.156 0.000 1.040 814 K CA 0.703 56.892 56.287 -0.163 0.000 0.974 814 K CB -0.265 32.181 32.500 -0.091 0.000 0.857 814 K HN 0.023 nan 8.250 nan 0.000 0.464 815 R N 1.113 121.526 120.500 -0.146 0.000 2.249 815 R HA 0.001 4.343 4.340 0.003 0.000 0.230 815 R C 2.133 178.352 176.300 -0.136 0.000 1.121 815 R CA 1.402 57.441 56.100 -0.103 0.000 0.997 815 R CB -0.413 29.856 30.300 -0.052 0.000 0.867 815 R HN 0.549 nan 8.270 nan 0.000 0.465 816 Q N -0.232 119.425 119.800 -0.237 0.000 2.172 816 Q HA -0.194 4.148 4.340 0.003 0.000 0.200 816 Q C 1.890 177.801 176.000 -0.148 0.000 0.964 816 Q CA 1.528 57.192 55.803 -0.232 0.000 0.855 816 Q CB 0.155 28.663 28.738 -0.383 0.000 0.918 816 Q HN 0.594 nan 8.270 nan 0.000 0.444 817 Q N -0.242 119.478 119.800 -0.133 0.000 2.083 817 Q HA -0.189 4.152 4.340 0.003 0.000 0.198 817 Q C 1.762 177.722 176.000 -0.067 0.000 0.969 817 Q CA 1.078 56.826 55.803 -0.091 0.000 0.838 817 Q CB -0.290 28.399 28.738 -0.083 0.000 0.900 817 Q HN 0.361 nan 8.270 nan 0.000 0.436 818 Q N 0.990 120.752 119.800 -0.064 0.000 2.291 818 Q HA -0.114 4.228 4.340 0.003 0.000 0.205 818 Q C 2.097 178.072 176.000 -0.042 0.000 0.970 818 Q CA 1.286 57.061 55.803 -0.046 0.000 0.876 818 Q CB -0.293 28.420 28.738 -0.041 0.000 0.935 818 Q HN 0.520 nan 8.270 nan 0.000 0.455 819 L N 0.336 121.529 121.223 -0.051 0.000 2.102 819 L HA 0.234 4.576 4.340 0.003 0.000 0.202 819 L C 1.985 178.832 176.870 -0.039 0.000 1.076 819 L CA 1.891 56.705 54.840 -0.042 0.000 0.761 819 L CB -0.700 41.330 42.059 -0.048 0.000 0.921 819 L HN 0.100 nan 8.230 nan 0.000 0.444 820 G N -0.178 108.592 108.800 -0.049 0.000 3.155 820 G HA2 0.104 4.066 3.960 0.003 0.000 0.213 820 G HA3 0.104 4.066 3.960 0.003 0.000 0.213 820 G C 0.411 175.290 174.900 -0.035 0.000 1.196 820 G CA 0.249 45.324 45.100 -0.042 0.000 0.846 820 G HN 0.389 nan 8.290 nan 0.000 0.516 821 S N 0.000 115.680 115.700 -0.033 0.000 2.498 821 S HA 0.000 4.472 4.470 0.003 0.000 0.327 821 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 821 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 821 S HN 0.000 nan 8.310 nan 0.000 0.517