==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/IMMUNE SYSTEM 03-JUN-05 1ZVY . COMPND 2 MOLECULE: IMMUNOGLOBULIN HEAVY CHAIN ANTIBODY VARIABLE DOMA . SOURCE 2 ORGANISM_SCIENTIFIC: CAMELUS DROMEDARIUS; . AUTHOR E.DE GENST,K.SILENCE,K.DECANNIERE,K.CONRATH,R.LORIS,J.KINNE, . 253 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 1 1 4 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 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 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 2 A V 0 0 41 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 129.2 30.3 49.1 35.3 2 3 A Q E -A 24 0A 119 22,-3.0 22,-2.0 113,-0.1 2,-0.5 -0.831 360.0-161.0-100.6 136.9 30.4 45.5 36.7 3 4 A L E -A 23 0A 11 113,-0.5 2,-0.5 -2,-0.4 115,-0.4 -0.977 5.3-171.0-123.3 124.1 31.3 45.0 40.3 4 5 A V E -A 22 0A 85 18,-2.6 18,-2.7 -2,-0.5 2,-0.3 -0.954 5.5-159.6-118.1 123.6 32.5 41.6 41.7 5 6 A E E +A 21 0A 24 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.694 16.8 162.9 -99.7 152.4 32.9 40.8 45.4 6 7 A S E +A 20 0A 61 14,-1.6 14,-2.6 -2,-0.3 114,-0.1 -0.964 43.2 65.0-157.8 163.0 35.0 38.0 46.8 7 8 A G + 0 0 44 -2,-0.3 11,-0.3 1,-0.3 113,-0.0 0.454 64.1 139.7 99.2 1.1 36.5 37.1 50.2 8 9 A G + 0 0 33 12,-0.1 2,-0.3 9,-0.1 -1,-0.3 -0.232 19.8 101.2 -74.2 168.0 33.3 36.6 52.2 9 10 A G E -d 122 0B 29 112,-1.3 114,-2.4 111,-0.1 2,-0.3 -0.976 66.0 -32.7 153.5-165.8 32.8 33.8 54.7 10 11 A S E +d 123 0B 106 -2,-0.3 2,-0.3 112,-0.2 114,-0.2 -0.637 48.8 168.6 -91.6 147.1 32.8 32.9 58.4 11 12 A V - 0 0 23 112,-2.7 2,-0.2 -2,-0.3 3,-0.1 -0.979 32.8-115.2-153.9 144.2 35.0 34.5 61.0 12 13 A Q > - 0 0 51 -2,-0.3 3,-2.9 112,-0.2 73,-0.2 -0.571 48.4 -84.2 -83.9 149.1 35.0 34.4 64.8 13 14 A A T 3 S+ 0 0 77 1,-0.3 73,-0.2 -2,-0.2 -1,-0.1 -0.259 121.0 26.3 -50.9 127.7 34.3 37.5 66.8 14 15 A G T 3 S+ 0 0 49 71,-2.4 70,-0.4 1,-0.3 -1,-0.3 0.221 102.5 108.7 100.1 -13.7 37.5 39.4 67.1 15 16 A G < - 0 0 28 -3,-2.9 70,-2.4 69,-0.2 2,-0.3 0.043 62.4-119.3 -81.3-166.6 39.0 37.9 63.9 16 17 A S - 0 0 76 68,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.963 22.1-179.0-139.5 155.7 39.6 39.6 60.6 17 18 A L E - B 0 82A 20 65,-1.9 65,-3.3 -2,-0.3 2,-0.5 -0.978 16.7-142.9-149.9 152.7 38.5 39.2 57.0 18 19 A R E - B 0 81A 117 -11,-0.3 2,-0.3 -2,-0.3 63,-0.2 -0.985 13.4-163.4-126.1 123.9 39.4 40.9 53.8 19 20 A L E - B 0 80A 0 61,-2.7 61,-2.5 -2,-0.5 2,-0.4 -0.811 5.8-154.5-104.2 148.2 36.8 41.6 51.1 20 21 A S E -AB 6 79A 14 -14,-2.6 -14,-1.6 -2,-0.3 2,-0.4 -0.936 7.3-165.5-123.2 143.6 37.7 42.5 47.5 21 22 A a E -AB 5 78A 0 57,-2.7 57,-2.4 -2,-0.4 2,-0.5 -0.977 8.9-167.9-128.9 116.7 35.6 44.4 45.0 22 23 A A E -AB 4 77A 32 -18,-2.7 -18,-2.6 -2,-0.4 2,-0.3 -0.919 5.3-157.7-108.9 126.4 36.8 44.2 41.4 23 24 A A E -A 3 0A 10 53,-2.9 2,-0.3 -2,-0.5 -20,-0.2 -0.777 9.9-177.5-102.5 147.7 35.3 46.6 38.8 24 25 A S E +A 2 0A 53 -22,-2.0 -22,-3.0 -2,-0.3 3,-0.1 -0.982 57.7 56.8-145.4 130.4 35.2 46.0 35.1 25 26 A G S S+ 0 0 63 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.1 0.294 110.5 9.7 131.1 -3.8 33.9 48.4 32.4 26 27 A S - 0 0 33 -24,-0.1 -1,-0.1 -3,-0.0 -24,-0.1 -0.917 53.5-155.1 174.8 165.9 36.1 51.4 33.1 27 28 A T S > S+ 0 0 73 -2,-0.3 3,-1.2 -3,-0.1 48,-0.0 0.540 82.9 14.5-121.0 -89.8 39.0 52.7 35.1 28 29 A D T 3 S+ 0 0 82 1,-0.2 46,-0.0 46,-0.1 45,-0.0 0.459 111.5 74.8 -75.3 -0.2 39.6 56.3 36.1 29 30 A S T 3 S+ 0 0 23 2,-0.0 -1,-0.2 71,-0.0 2,-0.2 0.718 75.3 95.1 -82.0 -20.5 36.0 57.3 35.2 30 31 A I < - 0 0 3 -3,-1.2 69,-0.3 1,-0.2 3,-0.1 -0.533 54.1-179.4 -68.4 132.1 35.0 55.6 38.4 31 32 A E + 0 0 1 67,-3.1 21,-2.6 1,-0.4 2,-0.4 0.857 61.6 22.8 -98.8 -68.0 34.8 58.2 41.2 32 33 A Y E -E 51 0B 0 66,-0.5 66,-1.5 68,-0.3 2,-0.5 -0.847 54.5-168.5-106.5 143.5 33.8 56.4 44.4 33 34 A M E +EF 50 97B 4 17,-2.2 17,-1.9 -2,-0.4 2,-0.3 -1.000 27.6 176.7-121.8 122.4 34.2 52.7 45.2 34 35 A T E -EF 49 96B 0 62,-3.1 62,-3.1 -2,-0.5 2,-0.5 -0.963 28.8-136.6-139.1 148.8 32.2 52.0 48.4 35 36 A W E +EF 48 95B 0 13,-3.1 12,-2.9 -2,-0.3 13,-1.6 -0.888 23.6 178.0-105.2 130.8 31.2 49.1 50.7 36 37 A F E -EF 46 94B 0 58,-3.1 58,-2.4 -2,-0.5 2,-0.3 -0.790 7.5-161.5-120.4 164.4 27.6 48.7 51.9 37 38 A R E -EF 45 93B 7 8,-2.2 8,-2.7 -2,-0.3 2,-0.4 -0.996 12.3-156.7-149.0 154.3 26.1 46.1 54.1 38 39 A Q E - F 0 92B 81 54,-1.9 54,-2.0 -2,-0.3 6,-0.2 -0.925 14.2-153.8-135.8 107.2 22.8 44.7 55.1 39 40 A A > - 0 0 31 -2,-0.4 3,-2.5 4,-0.4 52,-0.2 -0.452 45.4 -77.4 -75.0 152.2 22.4 42.9 58.3 40 41 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.251 118.9 5.3 -53.5 130.8 19.6 40.3 58.5 41 42 A G T 3 S+ 0 0 96 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.593 115.0 101.3 71.5 11.2 16.3 42.1 59.0 42 43 A K S < S- 0 0 49 -3,-2.5 -1,-0.2 3,-0.0 2,-0.2 -0.790 75.6 -97.3-124.5 168.3 17.9 45.5 58.6 43 44 A A - 0 0 81 -2,-0.3 -4,-0.4 1,-0.1 -6,-0.1 -0.513 47.6 -94.9 -82.6 150.9 18.2 48.2 56.0 44 45 A R - 0 0 96 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.371 47.4-169.5 -63.4 140.0 21.3 48.5 53.8 45 46 A E E -E 37 0B 71 -8,-2.7 -8,-2.2 64,-0.1 2,-0.2 -0.981 26.8-108.7-135.7 147.1 23.8 51.0 55.2 46 47 A G E +E 36 0B 5 62,-0.8 -10,-0.2 -2,-0.3 62,-0.1 -0.549 34.5 175.9 -71.5 137.1 27.0 52.6 53.9 47 48 A V E - 0 0 0 -12,-2.9 13,-2.3 1,-0.3 2,-0.3 0.803 61.8 -7.3-108.1 -52.4 30.1 51.2 55.7 48 49 A A E -EG 35 59B 0 -13,-1.6 -13,-3.1 11,-0.2 2,-0.4 -0.972 58.8-164.6-153.1 133.1 33.1 52.7 54.0 49 50 A A E -EG 34 58B 0 9,-2.9 9,-2.4 -2,-0.3 2,-0.4 -0.929 1.5-164.6-121.9 144.9 33.6 54.9 51.0 50 51 A L E -EG 33 57B 4 -17,-1.9 -17,-2.2 -2,-0.4 2,-0.8 -0.993 14.7-146.0-132.1 125.2 36.7 55.7 49.0 51 52 A Y E >>> -EG 32 56B 0 5,-2.6 4,-2.6 -2,-0.4 3,-1.4 -0.826 17.8-152.3 -88.9 112.1 37.1 58.5 46.5 52 53 A T T 345S+ 0 0 18 -21,-2.6 -1,-0.1 -2,-0.8 -20,-0.1 0.680 84.8 58.2 -63.5 -21.8 39.5 56.9 44.0 53 54 A H T 345S+ 0 0 37 -22,-0.3 -1,-0.3 1,-0.1 -21,-0.1 0.543 124.3 18.5 -89.1 -3.9 41.1 60.1 42.8 54 55 A T T <45S- 0 0 54 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.1 0.461 95.4-125.1-133.0 -18.9 42.4 61.3 46.1 55 56 A G T <5 + 0 0 35 -4,-2.6 -3,-0.2 1,-0.3 16,-0.0 0.521 54.7 155.9 80.6 4.8 42.3 58.1 48.2 56 57 A N E < -G 51 0B 70 -5,-0.5 -5,-2.6 -6,-0.1 2,-0.3 -0.367 26.6-153.8 -65.3 144.4 40.2 59.9 50.8 57 58 A T E -G 50 0B 53 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.892 12.4-163.0-124.5 153.6 38.0 57.5 52.9 58 59 A Y E -G 49 0B 43 -9,-2.4 -9,-2.9 -2,-0.3 2,-0.3 -0.999 11.7-168.4-137.2 130.0 34.8 57.9 54.8 59 60 A Y E -G 48 0B 42 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.916 25.7-118.2-125.1 148.4 33.5 55.5 57.4 60 61 A T >> - 0 0 34 -13,-2.3 3,-1.8 -2,-0.3 4,-0.8 -0.533 40.9-112.2 -75.4 147.2 30.3 55.0 59.3 61 62 A D G >4 S+ 0 0 129 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.854 109.9 62.8 -49.8 -43.7 30.8 55.5 63.0 62 63 A S G 34 S+ 0 0 49 1,-0.2 -1,-0.3 3,-0.1 -15,-0.0 0.581 111.6 36.7 -64.0 -10.5 30.3 51.9 64.1 63 64 A V G X> S+ 0 0 0 -3,-1.8 3,-2.3 -16,-0.2 4,-2.1 0.460 80.2 130.9-118.9 -5.1 33.3 50.7 62.1 64 65 A K T << S+ 0 0 113 -3,-1.0 4,-0.1 -4,-0.8 -16,-0.0 -0.272 82.7 10.6 -53.7 127.2 35.8 53.6 62.5 65 66 A G T 34 S+ 0 0 82 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.121 124.8 64.9 90.6 -20.6 39.2 52.2 63.5 66 67 A R T <4 S+ 0 0 36 -3,-2.3 17,-2.7 1,-0.1 2,-0.4 0.747 98.0 48.2-103.1 -33.9 38.2 48.6 62.9 67 68 A F E < -C 82 0A 3 -4,-2.1 -2,-0.5 15,-0.2 2,-0.4 -0.868 61.9-167.2-112.1 145.0 37.6 48.6 59.1 68 69 A T E -C 81 0A 68 13,-2.3 13,-3.3 -2,-0.4 2,-0.4 -0.992 4.7-159.8-132.8 125.4 39.9 50.0 56.4 69 70 A I E +C 80 0A 4 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.876 23.2 160.9-104.1 137.7 38.9 50.5 52.8 70 71 A S E -C 79 0A 53 9,-1.9 9,-3.1 -2,-0.4 2,-0.3 -0.878 18.5-145.4-143.7 175.9 41.7 50.8 50.3 71 72 A Q E -C 78 0A 55 -2,-0.3 7,-0.2 7,-0.3 2,-0.2 -0.892 23.7-146.8-144.2 173.7 42.2 50.5 46.6 72 73 A D E > > -C 77 0A 67 5,-2.1 5,-1.7 -2,-0.3 3,-1.2 -0.775 25.9-172.2-139.5 79.9 44.4 49.5 43.6 73 74 A K G > 5S+ 0 0 53 1,-0.3 3,-1.3 -2,-0.2 -1,-0.1 0.838 79.2 59.5 -47.0 -42.8 43.2 52.2 41.2 74 75 A A G 3 5S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 -46,-0.1 0.857 114.3 35.8 -58.5 -36.6 45.2 50.6 38.3 75 76 A K G < 5S- 0 0 70 -3,-1.2 -52,-0.3 2,-0.1 -1,-0.3 0.292 109.7-119.3-100.5 8.7 43.3 47.4 38.6 76 77 A N T < 5 + 0 0 25 -3,-1.3 -53,-2.9 -4,-0.5 2,-0.4 0.919 64.1 148.5 53.3 46.1 40.0 49.0 39.6 77 78 A M E < -BC 22 72A 34 -5,-1.7 -5,-2.1 -55,-0.2 2,-0.4 -0.887 31.1-171.4-114.0 144.7 40.0 47.1 42.9 78 79 A A E -BC 21 71A 0 -57,-2.4 -57,-2.7 -2,-0.4 2,-0.4 -0.985 11.0-160.7-130.4 140.7 38.6 48.2 46.2 79 80 A Y E -BC 20 70A 49 -9,-3.1 -9,-1.9 -2,-0.4 2,-0.5 -0.947 13.2-157.2-126.9 147.1 39.3 46.3 49.4 80 81 A L E -BC 19 69A 0 -61,-2.5 -61,-2.7 -2,-0.4 2,-0.8 -0.941 9.9-163.8-122.8 106.0 37.6 46.2 52.8 81 82 A R E -BC 18 68A 45 -13,-3.3 -13,-2.3 -2,-0.5 2,-0.9 -0.826 7.0-160.9 -90.6 112.8 39.9 45.0 55.5 82 83 A M E -BC 17 67A 0 -65,-3.3 -65,-1.9 -2,-0.8 2,-0.3 -0.852 13.6-177.5 -98.4 104.7 37.7 44.1 58.5 83 84 A D + 0 0 63 -17,-2.7 -67,-0.2 -2,-0.9 -68,-0.1 -0.809 62.9 4.1-103.7 145.4 39.9 44.0 61.5 84 85 A S S S- 0 0 70 -70,-0.4 -1,-0.2 -2,-0.3 -68,-0.2 0.907 87.5-158.1 48.8 53.4 38.6 43.0 65.0 85 86 A V - 0 0 2 -70,-2.4 -71,-2.4 -3,-0.3 2,-0.3 -0.113 5.4-150.5 -60.1 156.9 35.2 42.1 63.8 86 87 A K > - 0 0 51 -73,-0.2 3,-2.4 -72,-0.1 4,-0.2 -0.865 30.7-105.5-126.4 159.7 32.1 42.1 66.1 87 88 A S G > S+ 0 0 90 -2,-0.3 3,-1.5 1,-0.3 37,-0.3 0.814 118.2 65.3 -55.6 -29.3 28.9 40.0 66.0 88 89 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -49,-0.0 -49,-0.0 0.686 87.6 70.9 -67.7 -16.9 27.1 43.1 64.8 89 90 A D G < + 0 0 0 -3,-2.4 -1,-0.3 -50,-0.0 2,-0.2 0.539 66.7 120.4 -78.2 -6.7 29.1 43.0 61.6 90 91 A T < + 0 0 31 -3,-1.5 2,-0.3 -4,-0.2 33,-0.2 -0.421 44.1 101.4 -60.7 126.0 27.3 39.9 60.3 91 92 A A E S- H 0 122B 2 31,-2.0 31,-2.3 -52,-0.2 2,-0.6 -0.974 77.7 -74.8 175.3 175.5 25.7 40.8 57.0 92 93 A I E -FH 38 121B 73 -54,-2.0 -54,-1.9 -2,-0.3 2,-0.5 -0.867 47.2-150.0 -93.3 121.1 25.7 40.7 53.3 93 94 A Y E -FH 37 120B 0 27,-3.3 27,-2.4 -2,-0.6 2,-0.4 -0.836 15.5-172.3 -96.8 131.2 28.4 43.1 52.1 94 95 A T E -F 36 0B 7 -58,-2.4 -58,-3.1 -2,-0.5 2,-0.3 -0.973 17.2-133.9-127.9 139.7 27.9 44.7 48.7 95 96 A a E -F 35 0B 0 -2,-0.4 22,-2.4 -60,-0.2 2,-0.3 -0.696 23.7-175.0 -91.7 139.9 30.2 46.9 46.6 96 97 A G E +FI 34 116B 0 -62,-3.1 -62,-3.1 -2,-0.3 2,-0.3 -0.917 3.4 178.3-131.2 158.2 28.9 50.1 45.0 97 98 A A E -FI 33 115B 0 18,-2.0 18,-1.9 -2,-0.3 17,-1.1 -0.974 11.9-157.6-154.1 164.0 30.4 52.6 42.6 98 99 A T - 0 0 0 -66,-1.5 -67,-3.1 -2,-0.3 -66,-0.5 -0.973 16.2-153.5-142.7 153.9 29.6 55.7 40.7 99 100 A R S S+ 0 0 98 -2,-0.3 2,-0.3 -69,-0.3 -69,-0.1 -0.000 82.2 68.2-114.7 24.4 31.1 57.4 37.6 100 101 A K S S- 0 0 37 -68,-0.1 -68,-0.3 134,-0.0 -69,-0.2 -0.973 94.4 -95.3-138.7 150.1 30.0 60.8 38.8 101 102 A Y - 0 0 17 -2,-0.3 -2,-0.1 131,-0.3 131,-0.0 -0.358 36.5-162.5 -67.1 148.5 31.2 62.9 41.7 102 103 A V - 0 0 2 -4,-0.1 5,-0.1 85,-0.0 -4,-0.0 -0.999 28.2-106.5-132.2 132.0 29.1 62.7 44.9 103 104 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.333 31.9-121.0 -57.2 140.2 29.3 65.3 47.7 104 105 A V G > S+ 0 0 34 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.859 110.1 65.1 -51.8 -39.1 31.2 63.8 50.6 105 106 A R G 3 S+ 0 0 154 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.721 109.5 39.0 -59.9 -19.6 28.2 64.2 52.9 106 107 A F G X S+ 0 0 41 -3,-2.2 3,-1.6 1,-0.1 -1,-0.3 0.247 82.6 106.1-113.4 11.9 26.3 61.7 50.8 107 108 A A T < S+ 0 0 0 -3,-2.0 -1,-0.1 -4,-0.3 -2,-0.1 0.636 82.2 48.0 -67.8 -14.3 29.1 59.2 50.1 108 109 A L T 3 S+ 0 0 40 -4,-0.3 -62,-0.8 -3,-0.2 2,-0.5 0.235 88.1 103.6-109.2 13.2 27.7 56.7 52.5 109 110 A D X - 0 0 70 -3,-1.6 3,-2.1 1,-0.1 4,-0.3 -0.843 67.6-141.5 -99.0 127.7 24.1 56.9 51.2 110 111 A Q G > S+ 0 0 36 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.833 99.0 64.1 -53.8 -36.3 22.9 54.0 49.0 111 112 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.0 -5,-0.0 0.627 90.3 68.0 -66.6 -11.9 21.0 56.3 46.7 112 113 A S G < S+ 0 0 1 -3,-2.1 2,-0.4 -6,-0.2 -1,-0.3 0.581 88.1 84.8 -83.1 -8.8 24.2 58.0 45.7 113 114 A Y < - 0 0 10 -3,-1.8 -15,-0.2 -4,-0.3 3,-0.1 -0.804 47.8-177.9-106.1 138.0 25.4 54.9 43.8 114 115 A D S S+ 0 0 60 -17,-1.1 2,-0.4 -2,-0.4 -16,-0.2 0.579 70.6 52.5-102.0 -16.2 24.6 53.8 40.3 115 116 A Y E -I 97 0B 65 -18,-1.9 -18,-2.0 -113,-0.0 2,-0.3 -0.986 62.8-175.8-128.9 137.8 26.5 50.5 40.1 116 117 A W E -I 96 0B 78 -2,-0.4 -113,-0.5 -20,-0.2 -20,-0.2 -0.960 18.3-141.1-135.4 149.2 26.2 47.5 42.4 117 118 A G - 0 0 12 -22,-2.4 -113,-0.2 -2,-0.3 -23,-0.1 -0.096 36.0-107.7 -86.4-166.0 27.8 44.1 42.9 118 119 A Q - 0 0 188 -115,-0.4 -114,-0.1 1,-0.1 -24,-0.1 0.590 58.8-113.9-103.4 -13.9 25.8 41.1 44.0 119 120 A G - 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0 0 1 19,-0.1 -4,-2.8 20,-0.0 2,-0.3 -0.407 51.1-144.4 -88.9 171.2 20.6 64.9 35.8 176 51 B T E -L 170 0E 17 -6,-0.2 9,-2.4 -2,-0.1 2,-0.5 -0.994 8.4-133.9-139.2 143.8 22.1 67.6 33.7 177 52 B D E -LM 169 184E 28 -8,-2.8 -8,-1.8 -2,-0.3 2,-0.4 -0.862 31.8-161.9 -97.6 128.4 25.5 69.4 33.8 178 53 B Y E > -LM 168 183E 33 5,-2.3 5,-2.4 -2,-0.5 3,-0.4 -0.899 30.1 -8.2-120.7 144.2 25.1 73.2 33.4 179 54 B G T > 5S- 0 0 0 -12,-1.8 3,-1.8 -2,-0.4 -15,-0.2 -0.073 97.1 -37.6 81.2-176.3 27.3 76.1 32.5 180 55 B I T 3 5S+ 0 0 2 28,-0.4 -19,-0.4 1,-0.3 -17,-0.3 0.702 140.7 38.1 -61.2 -22.8 30.9 77.0 31.9 181 56 B L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.170 106.7-124.9-115.5 15.8 32.0 74.6 34.6 182 57 B Q T < 5 - 0 0 22 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.882 34.8-168.9 40.7 65.4 29.4 71.9 33.9 183 58 B I E < -M 178 0E 3 -5,-2.4 -5,-2.3 25,-0.1 2,-0.3 -0.690 19.4-117.3 -88.1 130.2 27.9 71.7 37.4 184 59 B N E >>> -M 177 0E 19 -2,-0.4 4,-2.4 -7,-0.2 3,-0.9 -0.470 7.9-150.0 -78.5 132.5 25.5 68.7 38.1 185 60 B S T 345S+ 0 0 0 -9,-2.4 14,-0.4 -2,-0.3 6,-0.3 0.544 90.6 72.5 -73.5 -8.7 21.8 69.1 38.9 186 61 B R T 345S+ 0 0 25 11,-0.2 12,-0.9 -10,-0.1 -1,-0.2 0.830 121.2 6.1 -75.2 -27.8 21.7 65.9 41.0 187 62 B W T <45S+ 0 0 10 -3,-0.9 13,-2.9 10,-0.2 -2,-0.2 0.748 131.1 35.5-123.0 -36.3 23.7 67.6 43.7 188 63 B W T <5S+ 0 0 8 -4,-2.4 13,-2.4 11,-0.3 15,-0.4 0.825 110.0 20.6 -99.6 -35.4 24.4 71.3 43.3 189 64 B d < - 0 0 0 -5,-0.7 2,-0.6 11,-0.1 10,-0.4 -0.932 69.3-119.0-134.9 158.8 21.5 73.2 41.6 190 65 B N B +n 204 0F 76 13,-2.3 15,-1.9 -2,-0.3 16,-0.4 -0.876 31.5 163.5-104.5 121.5 17.8 72.6 41.1 191 66 B D - 0 0 40 -2,-0.6 -1,-0.1 -6,-0.3 -5,-0.0 0.262 51.0-126.1-111.9 6.9 16.5 72.3 37.6 192 67 B G S S+ 0 0 63 -7,-0.1 -2,-0.1 1,-0.1 -7,-0.0 0.620 95.4 77.3 58.9 17.4 13.3 70.7 38.9 193 68 B R + 0 0 79 -8,-0.1 -1,-0.1 -19,-0.1 -3,-0.0 0.286 67.9 98.7-134.9 6.3 13.6 67.7 36.5 194 69 B T > - 0 0 16 -9,-0.2 3,-0.9 -18,-0.0 2,-0.3 -0.857 68.3-128.1-106.3 129.5 16.3 65.6 38.3 195 70 B P T 3 S+ 0 0 81 0, 0.0 -20,-0.0 0, 0.0 -2,-0.0 -0.541 91.3 9.7 -74.7 131.4 15.5 62.6 40.5 196 71 B G T 3 S+ 0 0 60 -2,-0.3 2,-0.1 1,-0.2 0, 0.0 0.846 87.2 173.2 71.0 36.3 17.2 62.7 43.9 197 72 B S < - 0 0 32 -3,-0.9 -10,-0.2 1,-0.1 -1,-0.2 -0.467 21.5-176.4 -78.0 148.0 18.4 66.3 43.7 198 73 B R - 0 0 66 -12,-0.9 -11,-0.2 -13,-0.2 -8,-0.1 0.444 18.3-151.4-123.7 -3.5 20.0 68.1 46.7 199 74 B N > + 0 0 40 -10,-0.4 3,-1.2 -14,-0.4 -11,-0.3 0.797 24.2 171.2 29.9 61.0 20.6 71.7 45.5 200 75 B L T 3 S+ 0 0 35 -13,-2.9 -12,-0.2 1,-0.3 -1,-0.1 0.724 75.5 53.8 -69.5 -20.8 23.6 72.2 47.8 201 76 B e T 3 S- 0 0 23 -13,-2.4 -1,-0.3 2,-0.2 -12,-0.1 0.483 104.9-133.8 -89.7 -3.2 24.5 75.5 46.1 202 77 B N < + 0 0 137 -3,-1.2 -13,-0.1 -14,-0.3 -2,-0.1 0.913 63.7 113.6 50.6 54.3 20.9 76.7 46.7 203 78 B I S S- 0 0 36 -15,-0.4 -13,-2.3 16,-0.0 2,-0.2 -0.985 72.9-104.6-149.4 154.7 20.3 78.0 43.2 204 79 B P B > -n 190 0F 69 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.608 33.9-124.9 -78.7 142.0 18.3 77.3 40.1 205 80 B d G > S+ 0 0 1 -15,-1.9 3,-1.8 1,-0.3 4,-0.2 0.773 107.2 73.4 -60.6 -22.9 20.4 75.7 37.5 206 81 B S G > S+ 0 0 83 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.802 85.6 64.9 -60.2 -26.8 19.3 78.4 35.1 207 82 B A G X S+ 0 0 29 -3,-1.9 3,-0.8 1,-0.3 8,-0.3 0.736 94.5 60.3 -67.6 -21.6 21.6 80.7 37.1 208 83 B L G < S+ 0 0 1 -3,-1.8 -28,-0.4 -4,-0.4 -1,-0.3 0.458 97.6 58.9 -83.9 -2.9 24.5 78.6 35.8 209 84 B L G < S+ 0 0 51 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.322 81.7 120.2-106.2 5.6 23.6 79.4 32.2 210 85 B S S < S- 0 0 50 -3,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.286 72.4-128.2 -71.8 154.0 24.0 83.2 32.7 211 86 B S S S+ 0 0 78 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.664 101.3 76.7 -72.6 -14.8 26.5 85.3 30.7 212 87 B D S > S- 0 0 67 1,-0.1 3,-0.6 -5,-0.1 4,-0.3 -0.882 74.8-157.6 -97.7 114.9 27.5 86.4 34.2 213 88 B I T 3> + 0 0 5 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.428 63.0 106.4 -76.4 2.2 29.7 83.7 35.8 214 89 B T H 3> S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.886 81.2 45.4 -46.7 -51.8 29.0 84.7 39.4 215 90 B A H <> S+ 0 0 22 -3,-0.6 4,-2.0 -8,-0.3 -1,-0.2 0.895 114.3 48.5 -62.7 -41.7 26.7 81.8 40.1 216 91 B S H > S+ 0 0 4 -9,-0.3 4,-2.7 -4,-0.3 -2,-0.2 0.922 113.5 47.9 -64.2 -43.9 28.9 79.3 38.5 217 92 B V H X S+ 0 0 2 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.938 111.3 48.9 -63.0 -49.2 31.9 80.6 40.4 218 93 B N H X S+ 0 0 87 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.881 114.6 45.2 -61.2 -36.8 30.2 80.6 43.7 219 94 B e H X S+ 0 0 2 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.910 110.6 54.0 -72.7 -40.4 29.0 77.1 43.3 220 95 B A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.880 104.0 56.9 -59.0 -37.8 32.4 76.0 42.0 221 96 B K H X S+ 0 0 44 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.903 109.7 44.8 -61.7 -38.3 33.9 77.4 45.2 222 97 B K H < S+ 0 0 49 -4,-1.2 3,-0.5 -3,-0.2 -2,-0.2 0.920 113.8 49.4 -70.1 -43.3 31.6 75.2 47.2 223 98 B I H >< S+ 0 0 5 -4,-2.7 3,-1.9 1,-0.2 5,-0.4 0.938 110.1 48.7 -61.2 -48.2 32.3 72.1 45.0 224 99 B V H 3< S+ 0 0 4 -4,-3.0 5,-0.5 1,-0.3 3,-0.3 0.655 110.4 54.3 -68.6 -13.1 36.1 72.5 45.2 225 100 B S T 3< S+ 0 0 40 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.369 80.0 97.8 -98.0 2.1 35.7 72.9 49.0 226 101 B D S < S- 0 0 23 -3,-1.9 -122,-0.2 3,-0.2 -1,-0.2 0.768 107.2 -91.1 -63.5 -27.5 33.8 69.6 49.3 227 102 B G S S+ 0 0 42 -3,-0.3 -3,-0.1 -4,-0.3 -1,-0.1 0.276 112.8 68.2 136.0 -11.2 36.9 67.6 50.3 228 103 B N S > S- 0 0 4 -5,-0.4 3,-1.4 1,-0.3 4,-0.1 0.086 84.7-138.4-126.4 24.8 38.4 66.3 47.1 229 104 B G G > - 0 0 13 -5,-0.5 3,-1.1 1,-0.2 -1,-0.3 -0.111 66.0 -23.7 56.6-148.5 39.6 69.4 45.3 230 105 B M G > S+ 0 0 0 1,-0.2 3,-2.3 2,-0.1 7,-0.3 0.444 110.4 98.4 -78.5 3.5 39.2 69.9 41.6 231 106 B N G < + 0 0 8 -3,-1.4 -1,-0.2 1,-0.3 6,-0.2 0.731 65.4 77.7 -62.3 -19.9 38.9 66.2 41.1 232 107 B A G < S+ 0 0 17 -3,-1.1 2,-0.7 -4,-0.1 -131,-0.3 0.663 83.4 73.7 -62.2 -17.1 35.1 66.7 41.1 233 108 B W <> - 0 0 8 -3,-2.3 4,-2.3 1,-0.2 5,-0.2 -0.889 68.2-164.9-102.4 108.8 35.6 68.0 37.5 234 109 B V H > S+ 0 0 58 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.899 89.6 54.2 -57.7 -43.1 36.3 65.1 35.2 235 110 B A H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.887 108.8 49.4 -60.8 -39.3 37.6 67.3 32.4 236 111 B W H >>S+ 0 0 10 -6,-0.2 5,-3.1 2,-0.2 4,-2.1 0.936 110.0 50.4 -65.8 -46.3 40.1 68.9 34.9 237 112 B R H <5S+ 0 0 17 -4,-2.3 -2,-0.2 -7,-0.3 -1,-0.2 0.931 117.9 39.2 -56.7 -45.8 41.4 65.5 36.1 238 113 B N H <5S+ 0 0 81 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.747 132.3 16.9 -81.6 -24.2 41.9 64.2 32.5 239 114 B R H <5S+ 0 0 146 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.479 132.0 30.6-127.6 -4.7 43.3 67.2 30.7 240 115 B c T ><5S+ 0 0 0 -4,-2.1 3,-2.5 -5,-0.4 5,-0.2 0.724 85.5 96.4-120.6 -48.0 44.5 69.7 33.3 241 116 B K T 3 + 0 0 121 1,-0.2 3,-1.9 -2,-0.2 4,-0.3 -0.521 52.9 171.0 -81.8 72.7 51.4 73.3 33.0 245 120 B V G > + 0 0 14 -2,-2.1 3,-2.0 1,-0.3 4,-0.2 0.735 64.5 75.5 -58.8 -24.7 48.2 75.0 33.8 246 121 B Q G >> S+ 0 0 51 1,-0.3 3,-2.1 2,-0.2 4,-0.7 0.781 79.8 74.7 -59.0 -24.8 49.8 78.4 34.0 247 122 B A G X4 S+ 0 0 49 -3,-1.9 3,-0.9 1,-0.3 -1,-0.3 0.848 84.5 66.8 -56.3 -31.5 50.0 78.2 30.2 248 123 B W G <4 S+ 0 0 57 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.597 107.1 36.4 -68.1 -12.8 46.2 79.0 30.3 249 124 B I G X4 S+ 0 0 48 -3,-2.1 3,-1.5 -4,-0.2 5,-0.3 0.364 88.2 119.6-118.3 2.1 46.7 82.5 31.6 250 125 B R T << S+ 0 0 58 -3,-0.9 -119,-0.0 -4,-0.7 -3,-0.0 -0.450 77.9 20.9 -69.8 137.7 49.9 83.3 29.7 251 126 B G T 3 S+ 0 0 51 -2,-0.1 -1,-0.2 -120,-0.0 -120,-0.1 0.295 93.8 106.6 88.3 -8.7 49.6 86.3 27.4 252 127 B b S < S- 0 0 17 -3,-1.5 -2,-0.1 -122,-0.0 -117,-0.0 0.515 74.4-141.5 -81.8 -5.4 46.6 87.6 29.4 253 128 B R 0 0 218 -4,-0.2 -3,-0.1 1,-0.1 -1,-0.0 0.860 360.0 360.0 46.7 45.8 48.5 90.4 31.0 254 129 B L 0 0 112 -5,-0.3 -1,-0.1 -116,-0.0 -4,-0.1 0.771 360.0 360.0 -75.6 360.0 46.6 89.9 34.3