==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MAJOR HISTOCOMPATIBILITY COMPLEX 24-APR-97 1LD9 . COMPND 2 MOLECULE: MHC CLASS I H-2LD HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR G.K.BALENDIRAN,J.C.SOLHEIM,A.C.M.YOUNG,T.H.HANSEN, . 752 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 60.4 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 . 210 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 72 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 2 0 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 . 16 2 8 4 6 4 4 2 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 2 4 2 0 0 0 2 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 68 0, 0.0 104,-0.2 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 136.9 3.9 -2.5 16.2 2 2 A P - 0 0 104 0, 0.0 2,-0.2 0, 0.0 103,-0.2 0.282 360.0-167.6-117.9 115.8 6.5 -1.2 13.5 3 3 A H - 0 0 29 101,-0.4 100,-1.0 1,-0.1 27,-0.1 -0.654 16.0 -85.0-166.9 127.2 9.5 0.3 15.3 4 4 A S + 0 0 16 -2,-0.2 2,-0.3 98,-0.1 98,-0.1 -0.173 30.7 165.7 -83.7 133.3 12.8 2.6 14.8 5 5 A M + 0 0 7 23,-0.1 2,-0.4 24,-0.1 23,-0.2 -0.864 27.0 140.4-117.0 102.1 16.6 1.7 13.7 6 6 A R E -A 27 0A 33 21,-1.7 21,-1.8 -2,-0.3 2,-0.5 -0.943 35.0-172.3-150.3 151.4 18.6 4.6 12.8 7 7 A Y E -AB 26 99A 11 92,-2.3 92,-1.3 -2,-0.4 2,-0.7 -1.000 14.4-170.1-120.0 117.3 22.1 6.0 13.0 8 8 A F E +AB 25 98A 31 17,-2.2 17,-2.3 -2,-0.5 2,-0.3 -0.975 18.8 173.3-110.2 107.3 22.2 9.6 11.7 9 9 A E E +AB 24 97A 0 88,-1.9 88,-2.4 -2,-0.7 2,-0.3 -0.949 10.1 174.1-122.1 143.4 25.9 10.4 11.6 10 10 A T E -AB 23 96A 5 13,-1.7 13,-2.0 -2,-0.3 2,-0.4 -0.992 17.9-165.7-148.8 144.2 27.7 13.5 10.1 11 11 A A E -AB 22 95A 1 84,-1.5 84,-1.8 -2,-0.3 2,-0.5 -0.973 18.9-163.9-127.4 128.0 31.2 14.8 10.0 12 12 A V E -AB 21 94A 6 9,-1.9 9,-2.7 -2,-0.4 82,-0.2 -0.963 21.0-118.1-128.6 116.3 31.4 18.4 9.0 13 13 A S - 0 0 18 80,-1.7 80,-0.4 -2,-0.5 6,-0.1 -0.248 19.6-150.4 -56.5 114.4 34.6 20.0 7.8 14 14 A R - 0 0 59 -2,-0.2 3,-0.3 4,-0.2 77,-0.1 -0.632 7.6-167.3 -83.7 141.0 35.8 22.8 10.0 15 15 A P S S+ 0 0 71 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.798 82.0 23.9 -95.1 -47.3 37.8 25.4 7.9 16 16 A G S S+ 0 0 62 3,-0.0 2,-0.2 74,-0.0 74,-0.0 -0.972 124.4 43.7-133.4 62.8 39.3 27.4 10.8 17 17 A L S S- 0 0 148 -2,-0.5 0, 0.0 -3,-0.3 0, 0.0 -0.656 103.8-140.2-138.2 -60.2 39.5 25.3 13.8 18 18 A G + 0 0 47 1,-0.3 -4,-0.2 -2,-0.2 0, 0.0 -0.356 63.2 71.2-138.9 -20.2 40.7 22.6 11.6 19 19 A E S S- 0 0 108 1,-0.1 -1,-0.3 -6,-0.1 -7,-0.1 -0.441 83.2 -96.9 -91.6 143.0 39.5 19.1 12.1 20 20 A P - 0 0 24 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.168 30.1-120.4 -76.9 147.7 35.9 18.0 11.2 21 21 A R E -A 12 0A 43 -9,-2.7 -9,-1.9 17,-0.1 2,-0.4 -0.774 29.5-168.6 -91.8 127.0 32.9 17.8 13.7 22 22 A Y E +A 11 0A 3 -2,-0.6 16,-3.0 -11,-0.3 2,-0.4 -0.906 9.7 179.0-122.3 130.8 31.4 14.5 14.0 23 23 A I E -AC 10 37A 10 -13,-2.0 -13,-1.7 -2,-0.4 2,-0.4 -0.987 8.9-163.7-129.3 141.5 28.1 13.5 15.8 24 24 A S E -A 9 0A 0 12,-1.8 2,-0.5 -2,-0.4 -15,-0.2 -0.854 10.2-175.3-135.3 103.7 26.6 10.1 16.0 25 25 A V E -A 8 0A 4 -17,-2.3 -17,-2.2 -2,-0.4 2,-0.4 -0.812 11.0-156.5-112.2 123.9 23.0 9.8 17.0 26 26 A G E -AD 7 34A 1 8,-3.0 8,-1.0 -2,-0.5 2,-0.5 -0.823 9.3-158.9 -92.6 136.8 21.0 6.6 17.7 27 27 A Y E +AD 6 33A 34 -21,-1.8 -21,-1.7 -2,-0.4 5,-0.2 -0.986 15.9 176.5-125.4 107.7 17.2 6.6 17.3 28 28 A V E > S- D 0 31A 3 4,-2.2 3,-0.9 3,-1.5 -23,-0.1 -0.674 74.5 -24.0 -92.3 6.9 15.1 4.1 18.9 29 29 A D T 3 S- 0 0 52 2,-0.5 -25,-0.1 1,-0.4 3,-0.1 0.048 123.3 -43.3-145.9 -52.4 11.3 5.2 18.1 30 30 A N T 3 S+ 0 0 152 2,-0.1 -1,-0.4 -26,-0.1 149,-0.0 -0.395 126.0 107.9-148.9 2.5 11.2 8.4 17.6 31 31 A K E < -D 28 0A 86 -3,-0.9 -3,-1.5 1,-0.1 -2,-0.5 -0.041 69.4-119.9-107.0 156.1 13.4 8.5 20.4 32 32 A E E + 0 0 37 -5,-0.2 -4,-2.2 1,-0.1 -1,-0.1 0.338 27.1 169.2 -61.5-172.5 17.1 9.2 21.1 33 33 A F E -D 27 0A 12 -6,-0.2 15,-2.1 13,-0.2 2,-0.3 -0.165 67.2 -3.7-159.9 -21.3 19.2 6.5 22.7 34 34 A V E -DE 26 47A 4 -8,-1.0 -8,-3.0 13,-0.3 2,-0.3 -0.980 50.3-179.2-174.4 151.3 22.6 7.9 22.3 35 35 A R E - E 0 46A 14 11,-1.5 11,-2.7 -2,-0.3 2,-0.3 -0.897 7.2-174.3-146.7 166.4 24.5 10.6 20.9 36 36 A F E - E 0 45A 0 -2,-0.3 -12,-1.8 9,-0.3 2,-0.3 -0.901 6.9-160.0-163.5 152.6 28.2 11.3 21.0 37 37 A D B > -C 23 0A 13 7,-0.7 3,-0.8 -2,-0.3 7,-0.3 -0.970 20.8-147.1-149.2 131.1 30.1 14.3 19.7 38 38 A S T 3 S+ 0 0 17 -16,-3.0 -1,-0.1 -2,-0.3 -15,-0.1 0.891 101.6 57.8 -61.5 -35.5 33.8 14.7 18.8 39 39 A D T 3 S+ 0 0 86 -17,-0.3 -1,-0.2 -3,-0.1 -16,-0.1 0.660 77.5 103.9 -66.1 -33.3 33.6 18.3 20.1 40 40 A A S < S- 0 0 38 -3,-0.8 -3,-0.0 1,-0.1 -4,-0.0 -0.368 93.1-101.4 -56.4 140.8 32.5 17.6 23.6 41 41 A E S S+ 0 0 205 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.828 115.5 20.3 -27.9 -64.2 35.4 18.0 26.0 42 42 A N S S- 0 0 129 2,-0.0 2,-0.5 -5,-0.0 -1,-0.2 -0.992 92.3-134.0-115.4 109.3 35.9 14.2 26.2 43 43 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.619 49.6 125.2 -69.4 117.4 34.3 12.4 23.2 44 44 A R - 0 0 102 -2,-0.5 -7,-0.7 -7,-0.3 2,-0.4 -0.909 63.1 -91.4-155.7 174.4 32.3 9.4 24.2 45 45 A Y E -E 36 0A 1 -2,-0.3 -9,-0.3 15,-0.2 19,-0.1 -0.814 39.7-158.6 -95.8 140.0 28.8 8.2 23.6 46 46 A E E -E 35 0A 75 -11,-2.7 -11,-1.5 -2,-0.4 -13,-0.2 -0.982 22.4-109.3-125.7 142.5 26.4 9.2 26.3 47 47 A P E +E 34 0A 18 0, 0.0 -13,-0.3 0, 0.0 6,-0.0 -0.398 32.2 179.0 -68.3 131.0 23.0 7.5 27.0 48 48 A Q + 0 0 81 -15,-2.1 -14,-0.2 1,-0.2 -16,-0.1 0.835 68.7 63.5-104.3 -53.9 20.2 9.6 26.1 49 49 A A S > S- 0 0 1 -16,-0.2 3,-1.7 1,-0.1 4,-0.2 -0.658 88.6-134.0 -67.4 124.2 17.2 7.5 26.9 50 50 A P G > S+ 0 0 28 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.830 105.9 63.6 -58.0 -32.4 17.7 7.2 30.9 51 51 A W G > S+ 0 0 15 1,-0.3 3,-2.0 2,-0.2 124,-0.0 0.840 85.9 74.7 -60.8 -25.5 17.0 3.5 30.7 52 52 A M G < S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.718 80.5 69.6 -55.7 -26.7 20.2 3.4 28.6 53 53 A E G < S+ 0 0 99 -3,-2.0 2,-2.4 1,-0.3 -1,-0.3 0.823 82.7 74.5 -61.7 -29.1 22.2 3.9 31.9 54 54 A Q S < S+ 0 0 108 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.3 -0.286 80.1 102.4 -81.8 52.0 21.0 0.3 32.7 55 55 A E S S- 0 0 14 -2,-2.4 5,-0.0 -3,-0.2 -3,-0.0 -0.965 81.5-110.8-134.0 138.2 23.6 -0.6 30.1 56 56 A G - 0 0 23 -2,-0.3 4,-0.3 1,-0.1 -2,-0.0 -0.262 22.1-122.9 -67.9 164.8 27.0 -2.0 31.1 57 57 A P S > S+ 0 0 77 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 -0.125 110.4 71.5 -93.5 13.6 30.2 0.2 30.5 58 58 A E H > S+ 0 0 88 2,-0.2 4,-3.8 3,-0.1 5,-0.3 0.720 96.7 52.5 -89.1 -37.6 31.6 -2.5 28.4 59 59 A Y H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.843 105.6 56.5 -57.9 -36.3 28.9 -1.4 26.0 60 60 A W H > S+ 0 0 20 -4,-0.3 4,-4.0 2,-0.2 5,-0.3 0.969 118.1 28.0 -63.0 -51.7 30.2 2.1 26.4 61 61 A E H X S+ 0 0 105 -4,-0.8 4,-2.1 2,-0.3 5,-0.3 0.893 114.6 59.4 -74.9 -51.7 33.8 1.3 25.3 62 62 A R H X S+ 0 0 114 -4,-3.8 4,-0.8 1,-0.2 3,-0.2 0.970 121.7 32.2 -38.7 -54.0 33.0 -1.5 23.1 63 63 A I H >X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.3 3,-0.7 0.907 112.3 56.0 -73.5 -50.5 30.9 1.3 21.3 64 64 A T H 3X S+ 0 0 8 -4,-4.0 4,-2.8 1,-0.3 -1,-0.2 0.829 106.0 58.5 -56.8 -21.2 32.8 4.6 21.9 65 65 A Q H 3X S+ 0 0 125 -4,-2.1 4,-3.1 -5,-0.3 -1,-0.3 0.925 98.6 54.6 -73.8 -39.7 35.6 2.8 20.2 66 66 A I H X S+ 0 0 2 -4,-1.6 3,-3.3 -5,-0.3 4,-1.2 0.917 104.3 60.9 -65.1 -49.1 34.3 5.7 12.9 71 71 A E H 3X S+ 0 0 57 -4,-3.6 4,-1.1 1,-0.3 -2,-0.2 0.937 97.3 63.2 -36.6 -55.2 35.2 9.4 13.3 72 72 A Q H 3< S+ 0 0 88 -4,-1.4 4,-0.5 -5,-0.3 -1,-0.3 0.521 100.1 49.0 -55.1 -14.2 38.4 8.4 11.6 73 73 A W H X> S+ 0 0 14 -3,-3.3 4,-1.8 2,-0.1 3,-1.3 0.900 99.3 63.6 -89.5 -50.7 36.8 7.4 8.2 74 74 A F H 3X S+ 0 0 2 -4,-1.2 4,-1.1 1,-0.3 -2,-0.2 0.768 102.6 53.1 -39.3 -37.6 34.6 10.5 7.7 75 75 A R H 3X S+ 0 0 42 -4,-1.1 4,-1.8 1,-0.2 3,-0.4 0.918 108.0 46.7 -68.8 -46.9 37.7 12.5 7.4 76 76 A V H <> S+ 0 0 40 -3,-1.3 4,-1.3 -4,-0.5 -1,-0.2 0.706 114.4 49.6 -69.4 -24.7 39.3 10.4 4.8 77 77 A N H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.641 102.7 59.6 -91.9 -15.2 36.0 10.4 2.8 78 78 A L H >X S+ 0 0 8 -4,-1.1 4,-1.4 -3,-0.4 3,-1.0 0.966 111.4 40.7 -76.6 -47.2 35.6 14.0 3.0 79 79 A R H 3X S+ 0 0 147 -4,-1.8 4,-1.1 1,-0.3 3,-0.2 0.878 110.1 57.3 -68.5 -36.2 38.9 14.6 1.2 80 80 A T H 3X S+ 0 0 46 -4,-1.3 4,-1.0 1,-0.2 -1,-0.3 0.768 107.7 49.3 -64.5 -27.1 38.4 11.8 -1.2 81 81 A L H S+ 0 0 33 -4,-1.4 5,-2.1 -3,-0.2 -2,-0.2 0.847 99.3 51.3 -59.6 -33.9 37.0 16.8 -2.7 83 83 A G H ><5S+ 0 0 43 -4,-1.1 3,-1.4 3,-0.2 -1,-0.2 0.963 111.3 41.7 -71.8 -55.0 38.8 15.3 -5.6 84 84 A Y H 3<5S+ 0 0 56 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.1 0.976 122.7 41.2 -58.6 -52.7 35.8 14.1 -7.6 85 85 A Y T 3<5S- 0 0 66 -4,-2.5 -1,-0.3 54,-0.1 -2,-0.2 0.333 107.4-131.0 -79.5 6.8 33.9 17.2 -6.9 86 86 A N T < 5 + 0 0 141 -3,-1.4 2,-0.2 1,-0.1 -3,-0.2 0.882 48.6 151.4 41.4 69.8 36.9 19.5 -7.4 87 87 A Q < - 0 0 64 -5,-2.1 -1,-0.1 1,-0.2 2,-0.1 -0.667 42.8-116.9-122.1 168.5 36.8 21.6 -4.4 88 88 A S - 0 0 90 -2,-0.2 -1,-0.2 1,-0.0 -6,-0.0 0.042 21.4-124.3 -83.6-161.9 39.3 23.4 -2.3 89 89 A A S S+ 0 0 88 -2,-0.1 -10,-0.0 -74,-0.0 -7,-0.0 0.291 96.6 78.2-130.4 -3.0 40.1 22.7 1.4 90 90 A G S S+ 0 0 62 2,-0.1 2,-0.3 -74,-0.0 -74,-0.0 0.164 88.4 81.0 -91.7 9.4 39.5 26.2 2.8 91 91 A G S S- 0 0 30 -77,-0.1 2,-0.2 -76,-0.1 -78,-0.0 -0.836 82.6-100.2-117.4 164.4 35.8 25.5 2.6 92 92 A T + 0 0 35 -2,-0.3 2,-0.3 -80,-0.0 -78,-0.1 -0.481 36.6 176.2 -82.7 146.6 33.0 23.7 4.5 93 93 A H - 0 0 19 -80,-0.4 -80,-1.7 -2,-0.2 2,-0.5 -0.999 14.8-155.0-151.1 151.1 31.6 20.3 3.7 94 94 A T E -B 12 0A 0 -2,-0.3 25,-2.4 -82,-0.2 2,-0.5 -0.913 7.2-175.4-139.8 114.8 29.1 17.8 5.0 95 95 A L E -BF 11 118A 0 -84,-1.8 -84,-1.5 -2,-0.5 2,-0.3 -0.938 17.2-173.3-106.5 125.5 28.8 14.1 4.6 96 96 A Q E -BF 10 117A 0 21,-2.3 21,-1.9 -2,-0.5 2,-0.4 -0.876 2.3-165.4-116.5 150.7 25.7 12.7 6.3 97 97 A W E -BF 9 116A 0 -88,-2.4 -88,-1.9 -2,-0.3 2,-0.4 -0.997 5.5-169.2-142.1 139.9 24.8 9.0 6.7 98 98 A M E +BF 8 115A 7 17,-3.0 17,-2.9 -2,-0.4 2,-0.3 -0.991 16.9 148.8-135.5 133.6 21.7 7.1 7.6 99 99 A Y E +BF 7 114A 0 -92,-1.3 -92,-2.3 -2,-0.4 2,-0.3 -0.989 3.5 135.0-155.1 161.7 21.1 3.5 8.4 100 100 A G E - F 0 113A 0 13,-0.7 13,-2.0 -2,-0.3 2,-0.5 -0.949 49.2 -94.4 173.1 178.4 19.0 1.2 10.4 101 101 A C E - F 0 112A 1 -2,-0.3 2,-1.7 11,-0.2 11,-0.2 -0.942 41.6-121.8-115.1 120.5 17.0 -2.1 10.5 102 102 A D E - F 0 111A 30 9,-2.8 8,-1.7 -2,-0.5 9,-0.6 -0.606 33.5-140.6 -78.0 94.4 13.4 -1.5 9.7 103 103 A V - 0 0 6 -2,-1.7 -1,-0.1 -100,-1.0 -99,-0.1 0.497 15.6-144.8 -7.6 -84.4 11.9 -2.9 12.9 104 104 A G - 0 0 2 5,-0.1 -101,-0.4 2,-0.1 5,-0.1 -0.115 23.8-101.3 110.0 157.8 8.7 -5.0 12.5 105 105 A S S S+ 0 0 86 -104,-0.2 -1,-0.1 -103,-0.2 4,-0.1 0.973 112.9 14.9 -72.9 -56.4 5.6 -5.4 14.7 106 106 A D S S- 0 0 132 2,-0.1 -2,-0.1 -104,-0.0 -1,-0.1 0.634 130.8 -60.7 -92.7 -30.3 6.4 -8.9 16.3 107 107 A G S S+ 0 0 22 1,-0.5 2,-0.2 -4,-0.0 62,-0.1 0.235 98.0 96.8 170.0 -33.9 10.0 -9.4 15.6 108 108 A R - 0 0 160 1,-0.1 -1,-0.5 2,-0.0 2,-0.2 -0.514 61.0-124.8 -85.7 158.8 11.0 -9.6 12.0 109 109 A L + 0 0 64 -2,-0.2 -6,-0.2 -5,-0.1 -5,-0.1 -0.583 21.2 179.3 -94.3 160.5 12.4 -6.8 9.8 110 110 A L + 0 0 94 -8,-1.7 2,-0.3 -2,-0.2 -7,-0.1 0.648 64.0 48.5-131.1 -36.3 11.0 -5.6 6.5 111 111 A R E -F 102 0A 96 -9,-0.6 -9,-2.8 49,-0.1 2,-0.4 -0.980 54.2-157.0-130.3 134.5 13.4 -2.7 5.4 112 112 A G E -F 101 0A 8 16,-0.7 2,-0.4 -2,-0.3 -11,-0.2 -0.816 14.0-164.2-102.3 129.2 17.1 -2.1 5.1 113 113 A Y E +F 100 0A 71 -13,-2.0 -13,-0.7 -2,-0.4 14,-0.1 -0.866 25.5 145.7-115.8 138.9 18.5 1.4 5.2 114 114 A E E +F 99 0A 1 -2,-0.4 12,-3.2 12,-0.3 2,-0.4 -0.421 20.4 153.6-168.7 88.5 21.9 2.5 4.1 115 115 A Q E -FG 98 125A 64 -17,-2.9 -17,-3.0 10,-0.2 2,-0.3 -0.988 21.3-165.8-130.7 142.8 22.1 5.9 2.5 116 116 A F E -F 97 0A 1 8,-2.9 7,-2.5 -2,-0.4 2,-0.3 -0.886 3.2-169.8-119.7 154.6 24.9 8.5 2.2 117 117 A A E -FG 96 122A 0 -21,-1.9 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21.2 41.0 71.0 505 126 D L E - E 0 512I 14 -12,-3.3 -12,-0.3 -2,-0.4 2,-0.3 -0.793 34.4-121.5 -88.4 126.5 20.2 44.5 70.2 506 127 D N E > - E 0 511I 45 5,-3.5 5,-0.7 -2,-0.5 4,-0.1 -0.628 18.2-106.3 -80.2 164.7 16.8 45.6 71.5 507 128 D E T 5S+ 0 0 124 1,-0.5 -16,-0.7 -2,-0.3 2,-0.1 0.104 118.6 62.1 -87.6 -18.4 13.5 47.1 69.6 508 129 D D T 5S- 0 0 86 -18,-0.1 2,-4.0 3,-0.1 -1,-0.5 -0.364 105.9-134.2-104.1 76.9 14.2 50.3 70.8 509 130 D L T 5S+ 0 0 29 1,-0.2 27,-0.2 -2,-0.1 -2,-0.2 0.040 89.0 70.2 -60.1 -18.4 17.5 50.4 68.9 510 131 D K T 5S+ 0 0 137 -2,-4.0 2,-0.3 -4,-0.1 -1,-0.2 0.418 86.6 61.6 -55.7 -31.0 19.6 51.7 71.8 511 132 D T E < -E 506 0I 64 -5,-0.7 -5,-3.5 21,-0.1 2,-0.2 -0.922 61.9-139.3-123.0 154.8 19.8 48.8 74.4 512 133 D W E -E 505 0I 14 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.620 5.7-156.6-110.8 163.9 21.1 45.2 74.7 513 134 D T E -E 504 0I 70 -9,-2.7 -9,-2.3 -2,-0.2 2,-0.3 -0.987 13.5-168.5-138.9 116.4 20.2 41.8 76.0 514 135 D A E -E 503 0I 29 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.752 16.1-144.3-101.0 154.8 23.0 39.2 76.8 515 136 D A S S- 0 0 67 -13,-1.5 2,-0.3 -2,-0.3 -1,-0.1 0.799 71.4 -4.1 -89.5 -37.8 22.2 35.5 77.6 516 137 D D S > S- 0 0 65 -14,-0.3 4,-3.1 1,-0.1 -1,-0.3 -0.987 83.8 -78.7-151.1 172.8 24.9 34.6 80.1 517 138 D M T 4 S+ 0 0 153 -2,-0.3 -1,-0.1 1,-0.2 -54,-0.0 0.737 123.9 41.9 -41.7 -42.6 27.9 35.9 81.9 518 139 D A T >> S+ 0 0 15 2,-0.2 3,-1.9 1,-0.2 4,-0.9 0.935 119.4 43.5 -78.7 -42.3 30.4 35.4 79.1 519 140 D A H 3> S+ 0 0 0 1,-0.3 4,-0.6 -3,-0.2 -1,-0.2 0.784 109.2 63.0 -62.8 -30.2 28.1 36.7 76.4 520 141 D Q H 3X S+ 0 0 47 -4,-3.1 4,-1.2 1,-0.2 -1,-0.3 0.501 91.7 63.5 -73.4 -7.7 27.5 39.2 79.1 521 142 D I H <> S+ 0 0 75 -3,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.919 98.4 52.9 -85.0 -33.0 31.1 40.4 78.9 522 143 D T H X S+ 0 0 0 -4,-0.9 4,-1.4 2,-0.2 5,-0.2 0.712 106.8 61.2 -60.8 -28.8 30.7 41.5 75.3 523 144 D R H X S+ 0 0 52 -4,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.995 101.3 42.4 -68.0 -72.7 27.8 43.5 76.7 524 145 D R H X S+ 0 0 172 -4,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.715 119.7 46.6 -55.6 -20.3 29.3 45.9 79.2 525 146 D K H X S+ 0 0 87 -4,-1.1 4,-1.0 2,-0.2 -2,-0.2 0.940 112.3 44.4 -81.3 -68.4 32.2 46.6 76.9 526 147 D W H <>S+ 0 0 3 -4,-1.4 5,-0.6 1,-0.2 -2,-0.2 0.693 107.9 68.7 -34.6 -46.3 30.3 47.2 73.6 527 148 D E H ><5S+ 0 0 66 -4,-2.5 3,-2.5 -5,-0.2 4,-0.4 0.974 102.6 37.7 -35.3 -85.7 28.1 49.2 75.9 528 149 D Q H 3<5S+ 0 0 148 -4,-1.1 2,-0.7 1,-0.3 -2,-0.2 0.849 112.3 57.9 -39.9 -65.2 30.6 52.0 76.7 529 150 D A T 3<5S- 0 0 63 -4,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.298 112.7-106.2 -46.7 -24.0 32.1 52.2 73.3 530 151 D G T < 5 + 0 0 19 -3,-2.5 4,-0.4 -2,-0.7 -3,-0.2 0.981 61.2 148.1 98.4 55.9 29.0 52.9 71.3 531 152 D A S > S+ 0 0 10 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.871 108.3 51.0 -55.4 -46.3 24.1 50.8 69.5 533 154 D E H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.927 110.3 48.8 -52.9 -51.0 24.8 54.2 68.2 534 155 D Y H > S+ 0 0 71 -4,-0.4 4,-1.0 -3,-0.3 -1,-0.2 0.800 116.8 42.0 -63.2 -34.0 26.8 52.9 65.2 535 156 D Y H >X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 3,-0.6 0.958 110.0 56.0 -79.7 -48.3 24.1 50.3 64.4 536 157 D R H 3X S+ 0 0 71 -4,-3.1 4,-2.1 1,-0.3 5,-0.3 0.901 106.9 54.8 -43.3 -51.6 21.1 52.8 64.9 537 158 D A H 3< S+ 0 0 51 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.3 0.933 113.4 39.1 -48.0 -54.8 22.9 54.9 62.4 538 159 D Y H <<>S+ 0 0 15 -4,-1.0 5,-0.9 -3,-0.6 -2,-0.3 0.666 108.9 59.6 -74.2 -24.5 22.9 52.1 60.0 539 160 D L H <5S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.823 115.3 34.3 -84.5 -25.1 19.5 50.7 60.6 540 161 D E T <5S+ 0 0 105 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.531 126.9 39.0 -83.2 -10.6 17.8 53.9 59.8 541 162 D G T >5S+ 0 0 34 -4,-0.3 4,-1.6 -5,-0.3 3,-0.3 0.803 114.3 15.7-110.5 -85.3 20.3 54.8 57.1 542 163 D E H >5S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.939 120.6 68.5 -55.0 -27.3 22.2 53.1 54.4 543 164 D C H > S+ 0 0 16 -3,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.755 112.3 64.8 -73.6 -39.0 16.6 51.3 54.0 545 166 D E H X S+ 0 0 108 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.981 112.7 40.2 -47.8 -53.2 17.9 53.6 51.1 546 167 D W H >X S+ 0 0 19 -4,-2.5 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