==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURE GENOMICS, UNKNOWN FUNCTION 23-NOV-10 2L6N . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN YP_001092504.1; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA LOIHICA; . AUTHOR B.MOHANTY,P.SERRANO,M.GERALT,R.HORST,K.WUTHRICH,JOINT CENTER . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.6 -9.7 -4.3 -23.2 2 2 A M - 0 0 186 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.087 360.0-108.4 -51.0 148.3 -11.2 -7.4 -21.5 3 3 A T - 0 0 123 1,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.251 31.6-102.9 -74.9 162.1 -10.4 -8.0 -17.8 4 4 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.316 24.4-117.4 -76.8 171.6 -8.0 -10.7 -16.4 5 5 A Q - 0 0 155 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.232 45.7-115.1 -95.1 10.9 -9.2 -13.9 -14.7 6 6 A S + 0 0 87 1,-0.1 87,-0.1 87,-0.0 -3,-0.0 0.865 59.1 157.3 55.5 41.9 -7.5 -12.9 -11.3 7 7 A D + 0 0 147 86,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.036 22.4 145.7 -84.9 23.4 -5.1 -15.9 -11.6 8 8 A T - 0 0 45 1,-0.1 85,-0.1 0, 0.0 84,-0.1 -0.239 56.2 -98.6 -56.1 151.1 -2.7 -14.0 -9.2 9 9 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.174 40.1-113.4 -62.1 167.2 -0.6 -15.9 -6.7 10 10 A K - 0 0 146 82,-0.1 18,-1.5 83,-0.0 2,-0.2 -0.902 26.8-111.0-114.7 134.6 -1.8 -16.2 -3.1 11 11 A V E +A 27 0A 19 -2,-0.4 16,-0.3 16,-0.2 3,-0.1 -0.465 36.1 169.6 -68.7 134.4 -0.0 -14.5 -0.2 12 12 A T E + 0 0 83 14,-2.2 2,-0.3 1,-0.3 15,-0.2 0.128 65.1 38.2-132.1 12.7 1.7 -16.9 2.3 13 13 A G E +A 26 0A 27 13,-1.2 13,-2.2 2,-0.0 2,-0.3 -0.912 52.0 177.9-161.5 144.9 3.7 -14.4 4.3 14 14 A L E +A 25 0A 37 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.960 12.2 169.5-145.5 127.4 3.3 -10.9 5.7 15 15 A K E -A 24 0A 143 9,-2.2 9,-2.9 -2,-0.3 2,-0.3 -0.928 18.6-141.1-134.6 160.9 5.9 -9.0 7.8 16 16 A L E -A 23 0A 55 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.833 11.1-168.2-118.9 158.7 6.3 -5.4 9.1 17 17 A K E > > +A 22 0A 52 5,-2.4 5,-1.9 -2,-0.3 3,-1.6 -0.605 9.9 173.0-142.9 81.2 9.3 -3.0 9.5 18 18 A R G > 5S+ 0 0 170 1,-0.3 3,-1.2 3,-0.2 -1,-0.1 0.779 73.1 79.8 -55.3 -25.5 8.1 -0.0 11.5 19 19 A K G 3 5S+ 0 0 174 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.858 114.6 14.0 -44.7 -45.1 11.8 1.0 11.5 20 20 A S G < 5S- 0 0 54 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 -0.118 109.2-107.6-132.9 29.1 11.3 2.3 8.0 21 21 A R T < 5S+ 0 0 81 -3,-1.2 16,-3.0 1,-0.2 17,-0.4 0.770 77.6 130.3 53.3 34.3 7.5 2.5 7.7 22 22 A Q E < -AB 17 36A 27 -5,-1.9 -5,-2.4 14,-0.2 2,-0.3 -0.741 46.2-150.0-119.5 165.0 7.5 -0.6 5.3 23 23 A L E -AB 16 35A 0 12,-2.5 12,-2.5 -7,-0.2 2,-0.3 -0.991 11.7-145.3-134.6 141.7 5.6 -3.9 4.9 24 24 A E E -AB 15 34A 75 -9,-2.9 -9,-2.2 -2,-0.3 2,-0.3 -0.822 12.2-165.9-113.0 147.5 6.9 -7.2 3.4 25 25 A I E -AB 14 33A 4 8,-2.2 8,-1.7 -2,-0.3 2,-0.3 -0.956 5.3-167.9-132.1 146.5 4.9 -9.8 1.4 26 26 A S E -AB 13 32A 24 -13,-2.2 -14,-2.2 -2,-0.3 -13,-1.2 -0.983 7.6-156.8-132.0 148.7 5.6 -13.4 0.2 27 27 A F E > -A 11 0A 6 4,-2.5 3,-0.7 -2,-0.3 4,-0.3 -0.650 31.0-114.2-111.0 169.0 3.6 -15.5 -2.2 28 28 A D T 3 S+ 0 0 132 -18,-1.5 -17,-0.1 -2,-0.2 -2,-0.0 0.218 108.5 68.3 -86.5 11.2 3.3 -19.3 -2.7 29 29 A N T 3 S- 0 0 85 2,-0.2 -1,-0.2 -19,-0.1 -3,-0.0 0.363 122.2 -89.4-106.3 -1.6 5.1 -19.0 -6.1 30 30 A G S < S+ 0 0 66 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.898 86.9 121.0 86.5 46.6 8.6 -18.0 -4.9 31 31 A Q + 0 0 87 -4,-0.3 -4,-2.5 2,-0.0 -1,-0.3 -0.993 30.5 172.2-139.5 147.4 8.3 -14.2 -4.8 32 32 A Q E +B 26 0A 137 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.941 3.3 167.4-141.6 159.4 8.6 -11.5 -2.2 33 33 A F E -B 25 0A 26 -8,-1.7 -8,-2.2 -2,-0.3 2,-0.3 -0.931 24.7-128.1-158.0 177.5 8.6 -7.7 -2.1 34 34 A T E -B 24 0A 31 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.993 20.4-168.9-135.9 143.7 8.4 -4.6 0.2 35 35 A L E -B 23 0A 0 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.3 -0.915 26.6-107.2-131.4 155.0 6.0 -1.6 0.0 36 36 A S E > -B 22 0A 24 -2,-0.3 4,-2.4 -14,-0.2 -14,-0.2 -0.600 17.3-138.3 -81.3 133.9 5.8 1.8 1.8 37 37 A C H > S+ 0 0 0 -16,-3.0 4,-1.3 -2,-0.3 5,-0.1 0.793 107.8 57.8 -63.3 -28.3 3.0 2.3 4.3 38 38 A E H >> S+ 0 0 4 -17,-0.4 4,-1.9 2,-0.2 3,-0.6 0.974 107.9 45.3 -60.1 -53.6 2.6 5.7 2.8 39 39 A L H 3> S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.917 107.6 59.2 -57.4 -48.6 2.0 4.2 -0.7 40 40 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.817 112.0 38.4 -46.4 -47.1 -0.4 1.5 0.8 41 41 A R H << S+ 0 0 70 -4,-1.3 3,-0.5 -3,-0.6 -1,-0.2 0.769 119.6 44.4 -85.8 -31.3 -2.8 4.2 2.2 42 42 A V H < S+ 0 0 2 -4,-1.9 2,-1.6 1,-0.2 14,-0.3 0.964 114.3 49.9 -72.3 -51.3 -2.7 6.7 -0.7 43 43 A Y S < S+ 0 0 63 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.1 -0.315 80.8 163.1 -87.2 51.1 -3.0 4.0 -3.4 44 44 A S - 0 0 20 -2,-1.6 3,-0.1 -3,-0.5 -3,-0.1 -0.353 54.5-111.9 -63.4 155.6 -6.0 2.3 -1.9 45 45 A P S S- 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.510 104.1 -5.7 -72.0 -4.9 -8.0 -0.0 -4.2 46 46 A S + 0 0 27 6,-0.1 8,-0.1 3,-0.0 10,-0.0 -0.821 69.5 165.9-167.8 159.9 -10.8 2.6 -3.9 47 47 A A S S- 0 0 53 7,-0.5 2,-0.2 -2,-0.2 4,-0.1 0.096 77.4 -13.6-139.0 -85.8 -10.9 5.8 -1.7 48 48 A E S S+ 0 0 159 6,-0.1 6,-0.1 1,-0.1 -2,-0.0 -0.572 111.7 90.0-126.2 60.0 -13.5 8.4 -2.5 49 49 A V S S- 0 0 57 -2,-0.2 -1,-0.1 4,-0.1 5,-0.0 0.729 104.6 -68.3-112.9 -72.4 -14.6 7.2 -5.9 50 50 A H S S- 0 0 188 4,-0.1 -2,-0.1 3,-0.1 -4,-0.0 0.253 78.0 -71.5 174.2 6.8 -17.5 4.7 -5.8 51 51 A G S S+ 0 0 44 -4,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.268 126.7 31.5 118.7 -46.7 -16.3 1.4 -4.2 52 52 A H S S+ 0 0 186 2,-0.1 -6,-0.1 -6,-0.0 -1,-0.0 0.173 94.1 106.5-132.8 6.5 -14.0 -0.1 -6.9 53 53 A G S S- 0 0 26 1,-0.2 -4,-0.1 -6,-0.0 -3,-0.1 -0.077 79.0 -72.2 -82.9-176.9 -12.5 2.9 -8.7 54 54 A N - 0 0 126 1,-0.1 -7,-0.5 -8,-0.1 -1,-0.2 -0.388 59.5-107.3 -65.5 155.1 -9.0 4.5 -8.7 55 55 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.064 34.2 -96.2 -75.8-176.7 -8.2 6.4 -5.5 56 56 A V - 0 0 51 -14,-0.3 2,-0.6 1,-0.1 -12,-0.1 -0.416 44.7 -84.6 -90.3 171.8 -8.0 10.2 -5.0 57 57 A L + 0 0 61 -2,-0.1 2,-0.3 55,-0.1 -1,-0.1 -0.770 59.9 178.9 -77.9 117.4 -4.9 12.5 -5.0 58 58 A V - 0 0 24 -2,-0.6 2,-0.1 60,-0.1 55,-0.1 -0.810 23.3-127.4-122.9 160.2 -3.5 12.3 -1.5 59 59 A T - 0 0 22 -2,-0.3 61,-0.2 1,-0.2 51,-0.1 -0.325 42.6 -78.6 -89.1 177.5 -0.5 13.8 0.3 60 60 A H - 0 0 27 59,-0.4 61,-0.3 61,-0.1 -1,-0.2 -0.228 43.1-129.3 -60.1 170.9 2.2 12.0 2.3 61 61 A K - 0 0 18 60,-0.2 -1,-0.1 59,-0.1 -23,-0.1 -0.468 13.5-125.3-110.0-176.6 1.5 10.8 5.9 62 62 A K S S- 0 0 83 -2,-0.2 62,-0.1 59,-0.1 -1,-0.0 0.764 83.4 -25.0-107.1 -48.6 3.8 11.5 8.9 63 63 A N S S+ 0 0 95 60,-0.1 60,-0.1 2,-0.0 -42,-0.1 -0.178 76.0 179.9-171.6 62.5 4.7 8.2 10.5 64 64 A V + 0 0 0 -43,-0.1 2,-0.3 18,-0.1 -27,-0.1 -0.277 6.2 177.0 -55.0 152.4 1.9 5.8 9.7 65 65 A N - 0 0 24 -28,-0.1 17,-2.5 -27,-0.0 18,-0.6 -0.968 29.9-106.8-151.9 170.3 2.2 2.2 11.0 66 66 A I E -C 81 0B 21 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.800 20.8-176.1-100.8 142.9 0.3 -1.1 11.1 67 67 A N E - 0 0 106 13,-2.5 2,-0.2 1,-0.4 14,-0.1 0.436 67.9 -11.3-113.4 -14.7 -1.4 -2.2 14.3 68 68 A A E -C 80 0B 42 12,-0.6 12,-1.7 2,-0.0 -1,-0.4 -0.876 51.0-134.3-177.1 156.9 -2.8 -5.7 13.1 69 69 A I E +C 79 0B 62 -2,-0.2 10,-0.2 10,-0.2 -55,-0.0 -0.992 25.8 177.0-118.7 132.2 -3.3 -7.9 10.0 70 70 A T E -C 78 0B 68 8,-1.8 8,-3.2 -2,-0.4 2,-0.1 -0.988 22.6-133.3-136.1 120.4 -6.8 -9.6 9.9 71 71 A P E -C 77 0B 91 0, 0.0 2,-0.3 0, 0.0 6,-0.3 -0.321 15.6-160.4 -73.0 160.4 -7.7 -11.8 6.8 72 72 A V E >> S-C 76 0B 49 4,-2.5 3,-1.8 -2,-0.1 4,-1.4 -0.994 71.3 -6.6-142.2 134.9 -11.0 -11.6 4.9 73 73 A G T 34 S- 0 0 62 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.625 107.5 -88.6 57.0 16.2 -12.6 -14.2 2.6 74 74 A N T 34 S+ 0 0 161 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.456 126.4 74.0 57.2 8.4 -9.3 -16.2 3.0 75 75 A Y T <4 S+ 0 0 150 -3,-1.8 17,-1.0 1,-0.1 2,-0.3 0.247 95.7 28.5-132.9 5.0 -8.1 -14.1 -0.1 76 76 A A E < -CD 72 91B 2 -4,-1.4 -4,-2.5 15,-0.2 2,-0.3 -0.958 65.2-131.9-159.3 170.3 -7.4 -10.6 1.3 77 77 A V E -CD 71 90B 6 13,-1.8 13,-2.1 -6,-0.3 2,-0.4 -0.980 10.1-136.8-136.2 144.9 -6.3 -8.7 4.4 78 78 A K E -C 70 0B 65 -8,-3.2 -8,-1.8 -2,-0.3 2,-0.4 -0.797 18.5-164.0 -78.3 141.5 -7.3 -5.7 6.5 79 79 A L E -C 69 0B 4 -2,-0.4 -10,-0.2 -10,-0.2 2,-0.2 -0.899 16.5-147.2-131.2 87.3 -4.1 -3.8 7.5 80 80 A V E -C 68 0B 26 -12,-1.7 -13,-2.5 -2,-0.4 -12,-0.6 -0.472 10.4-136.4 -74.4 131.6 -5.3 -1.6 10.4 81 81 A F E >> -CE 66 85B 10 4,-2.1 4,-1.9 -15,-0.2 3,-1.7 -0.789 11.8-154.9 -95.3 128.0 -3.5 1.8 10.5 82 82 A D T 34 S+ 0 0 101 -17,-2.5 -1,-0.1 -2,-0.5 -16,-0.1 0.738 95.1 75.2 -67.1 -21.9 -2.2 3.3 13.8 83 83 A D T 34 S- 0 0 51 -18,-0.6 -1,-0.3 2,-0.1 -17,-0.1 0.557 130.8 -88.2 -65.5 -6.0 -2.6 6.6 12.0 84 84 A G T <4 S+ 0 0 60 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.1 0.909 95.7 112.8 97.3 62.3 -6.3 6.0 12.6 85 85 A H B < +E 81 0B 70 -4,-1.9 -4,-2.1 3,-0.0 -6,-0.1 -0.523 21.8 161.0-153.7 80.9 -7.7 4.0 9.7 86 86 A D + 0 0 109 -6,-0.3 2,-0.5 1,-0.2 -6,-0.1 0.412 60.7 78.0 -83.4 6.7 -8.7 0.5 10.9 87 87 A T + 0 0 89 -6,-0.1 2,-0.3 -8,-0.1 -1,-0.2 -0.841 58.9 100.5-130.0 92.8 -11.0 0.0 7.8 88 88 A G - 0 0 31 -2,-0.5 2,-0.3 -3,-0.0 -9,-0.1 -0.914 49.4-138.8-152.6 175.8 -9.5 -0.8 4.4 89 89 A L - 0 0 59 -2,-0.3 2,-0.4 -11,-0.1 -11,-0.2 -0.996 6.0-160.2-146.9 142.8 -9.1 -4.1 2.4 90 90 A Y E -D 77 0B 3 -13,-2.1 -13,-1.8 -2,-0.3 2,-0.3 -0.964 4.4-161.5-133.3 107.4 -6.2 -5.5 0.3 91 91 A S E >> -D 76 0B 50 -2,-0.4 3,-1.4 -15,-0.2 4,-1.2 -0.750 34.2-112.7 -87.0 143.1 -6.7 -8.2 -2.4 92 92 A W H 3> S+ 0 0 27 -17,-1.0 4,-1.7 -2,-0.3 5,-0.2 0.778 115.3 56.0 -49.4 -41.1 -3.5 -10.0 -3.5 93 93 A K H 3> S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.913 103.7 54.6 -51.5 -51.1 -3.6 -8.5 -7.0 94 94 A V H <> S+ 0 0 31 -3,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.914 106.5 49.3 -58.7 -46.5 -3.6 -5.0 -5.6 95 95 A L H X S+ 0 0 1 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.859 114.4 44.7 -64.9 -37.1 -0.4 -5.5 -3.5 96 96 A Y H X S+ 0 0 59 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.900 110.7 54.7 -70.7 -38.9 1.6 -7.0 -6.5 97 97 A D H < S+ 0 0 90 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.870 112.5 43.8 -64.8 -36.5 0.3 -4.3 -8.8 98 98 A L H >< S+ 0 0 4 -4,-2.4 3,-1.8 -5,-0.2 -2,-0.2 0.978 115.1 49.0 -62.1 -58.8 1.6 -1.7 -6.4 99 99 A A H >< S+ 0 0 8 -4,-2.4 3,-0.9 1,-0.3 -2,-0.2 0.830 109.6 49.0 -57.9 -43.6 4.9 -3.5 -5.9 100 100 A S T 3< S+ 0 0 85 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.1 0.562 126.0 30.1 -72.5 -7.9 5.7 -4.1 -9.6 101 101 A N T <> S+ 0 0 71 -3,-1.8 4,-2.2 -4,-0.3 5,-0.3 0.047 78.9 128.1-134.5 21.9 5.0 -0.3 -10.3 102 102 A Q T <4 S+ 0 0 72 -3,-0.9 -3,-0.1 1,-0.2 -66,-0.1 0.297 76.9 45.0 -73.9 6.9 6.0 1.2 -6.8 103 103 A V T >> S+ 0 0 107 3,-0.1 4,-3.0 -5,-0.1 3,-0.9 0.733 114.7 39.3-115.6 -66.1 8.3 3.7 -8.5 104 104 A D H 3> S+ 0 0 120 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.913 120.8 47.7 -57.7 -44.7 6.4 5.2 -11.5 105 105 A L H 3< S+ 0 0 30 -4,-2.2 4,-0.3 2,-0.2 -1,-0.3 0.624 112.8 49.2 -75.2 -15.5 3.2 5.2 -9.4 106 106 A W H X> S+ 0 0 62 -3,-0.9 3,-2.6 -5,-0.3 4,-1.1 0.925 105.9 54.7 -80.2 -52.6 5.2 6.8 -6.5 107 107 A E H 3X S+ 0 0 123 -4,-3.0 4,-2.2 1,-0.3 5,-0.2 0.835 98.9 69.0 -45.0 -37.9 6.7 9.6 -8.8 108 108 A N H 3X S+ 0 0 37 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.3 0.823 98.8 45.7 -44.7 -45.5 3.0 10.2 -9.7 109 109 A Y H <> S+ 0 0 14 -3,-2.6 4,-2.5 -4,-0.3 -1,-0.2 0.937 110.1 51.5 -77.4 -45.4 2.3 11.6 -6.2 110 110 A L H X S+ 0 0 54 -4,-1.1 4,-0.8 1,-0.2 -1,-0.2 0.845 118.3 41.1 -59.2 -35.5 5.4 13.8 -6.0 111 111 A A H X S+ 0 0 24 -4,-2.2 4,-1.6 -5,-0.2 3,-0.5 0.959 116.0 44.2 -74.6 -58.6 4.4 15.3 -9.4 112 112 A R H X S+ 0 0 144 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.830 105.7 67.6 -63.8 -27.1 0.6 15.6 -9.1 113 113 A L H >X>S+ 0 0 26 -4,-2.5 5,-1.5 -5,-0.2 4,-1.1 0.925 104.1 40.7 -50.2 -58.1 1.1 17.1 -5.5 114 114 A R H ><5S+ 0 0 176 -4,-0.8 3,-0.5 -3,-0.5 -1,-0.2 0.903 114.1 50.8 -71.2 -37.6 2.8 20.3 -6.8 115 115 A A H 3<5S+ 0 0 79 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.674 117.9 44.1 -63.4 -18.0 0.4 20.7 -9.7 116 116 A A H <<5S- 0 0 48 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.562 101.1-130.4-106.1 -11.5 -2.4 20.3 -7.1 117 117 A K T <<5 + 0 0 184 -4,-1.1 -3,-0.2 -3,-0.5 -4,-0.1 0.876 54.0 152.5 53.4 45.4 -1.1 22.5 -4.2 118 118 A A < - 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