==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/VIRAL PROTEIN 30-JUL-02 1M9Y . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.R.HOWARD,F.F.VAJDOS,S.LI,W.I.SUNDQUIST,C.P.HILL . 1220 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 795 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 197 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 63 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 355 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 4 0 0 0 9 7 0 0 4 1 3 0 1 1 0 0 3 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 10 1 15 6 0 0 2 6 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 . 2 0 0 0 0 0 0 4 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 M 0 0 109 0, 0.0 965,-0.0 0, 0.0 964,-0.0 0.000 360.0 360.0 360.0 149.9 12.2 74.9 58.8 2 2 A V + 0 0 17 1,-0.1 1002,-0.0 960,-0.1 24,-0.0 0.900 360.0 62.3 -77.0 -39.1 13.4 74.9 55.2 3 3 A N S S- 0 0 16 23,-0.1 22,-0.1 22,-0.1 -1,-0.1 -0.701 84.9-141.1 -95.5 116.3 15.2 71.6 55.7 4 4 A P - 0 0 19 0, 0.0 20,-2.7 0, 0.0 2,-0.4 -0.300 6.7-136.5 -70.4 165.4 12.8 68.7 56.5 5 5 A T E -AB 23 164A 14 159,-0.6 159,-2.1 18,-0.2 2,-0.3 -0.977 19.5-168.4-124.9 132.6 13.7 66.0 59.1 6 6 A V E -AB 22 163A 0 16,-1.9 16,-2.2 -2,-0.4 2,-0.3 -0.905 4.4-154.0-118.5 143.4 12.9 62.3 58.3 7 7 A F E -AB 21 162A 21 155,-2.9 155,-1.8 -2,-0.3 2,-0.4 -0.930 6.7-166.3-119.9 151.4 13.0 59.3 60.6 8 8 A F E -AB 20 161A 1 12,-2.3 12,-2.2 -2,-0.3 2,-0.7 -0.998 12.6-150.6-122.7 128.0 13.5 55.6 60.0 9 9 A D E -AB 19 160A 42 151,-3.3 150,-2.3 -2,-0.4 151,-1.1 -0.934 24.0-149.5 -99.1 119.1 12.7 53.1 62.7 10 10 A I E -AB 18 158A 5 8,-2.8 7,-3.1 -2,-0.7 8,-1.2 -0.669 15.6-173.3 -97.7 138.3 15.1 50.2 62.1 11 11 A A E -AB 16 157A 5 146,-2.4 146,-2.6 -2,-0.3 2,-0.5 -0.964 17.1-144.6-128.3 147.3 14.4 46.6 62.9 12 12 A V E > S-AB 15 156A 12 3,-3.1 3,-2.5 -2,-0.4 144,-0.2 -0.987 86.8 -24.5-117.6 117.1 16.6 43.5 62.8 13 13 A D T 3 S- 0 0 64 142,-2.1 -1,-0.2 -2,-0.5 143,-0.1 0.890 130.6 -49.1 35.9 54.8 14.7 40.4 61.7 14 14 A G T 3 S+ 0 0 53 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.208 115.2 118.0 76.6 -14.7 11.6 42.1 63.0 15 15 A E E < S-A 12 0A 134 -3,-2.5 -3,-3.1 1,-0.1 -1,-0.2 -0.762 72.8-108.7 -87.0 131.1 13.1 43.1 66.4 16 16 A P E +A 11 0A 112 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.225 38.1 172.2 -54.8 125.1 13.4 46.9 67.1 17 17 A L E - 0 0 57 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.747 51.2 -86.9 -96.4 -54.5 17.0 48.3 66.9 18 18 A G E -A 10 0A 24 -8,-1.2 -8,-2.8 2,-0.0 2,-0.3 -0.955 41.3 -70.1 164.2-174.9 16.3 52.0 67.2 19 19 A R E -A 9 0A 110 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.803 29.1-166.1-108.0 143.8 15.5 55.2 65.3 20 20 A V E -A 8 0A 1 -12,-2.2 -12,-2.3 -2,-0.3 2,-0.3 -0.985 9.9-162.9-122.9 129.6 17.8 57.2 63.0 21 21 A S E -A 7 0A 11 113,-2.9 112,-2.8 -2,-0.4 2,-0.4 -0.877 2.0-159.8-111.9 157.1 16.8 60.7 62.0 22 22 A F E -AC 6 132A 0 -16,-2.2 -16,-1.9 -2,-0.3 2,-0.5 -0.983 16.1-141.8-134.4 139.8 18.2 62.8 59.0 23 23 A E E -AC 5 131A 51 108,-2.6 108,-1.7 -2,-0.4 2,-0.5 -0.886 24.9-148.4 -89.1 134.9 18.3 66.4 58.2 24 24 A L E - C 0 130A 0 -20,-2.7 2,-2.3 -2,-0.5 3,-0.3 -0.912 10.8-132.9-108.5 127.2 17.7 66.8 54.4 25 25 A F >> + 0 0 28 104,-2.5 4,-3.2 -2,-0.5 3,-1.8 -0.416 42.8 155.6 -79.9 67.5 19.4 69.8 52.8 26 26 A A T 34 + 0 0 20 -2,-2.3 -1,-0.2 1,-0.3 -23,-0.1 0.764 69.8 66.3 -62.4 -28.0 16.6 71.1 50.8 27 27 A D T 34 S+ 0 0 38 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.593 116.2 25.4 -70.2 -4.5 18.3 74.4 50.9 28 28 A K T <4 S+ 0 0 88 -3,-1.8 -2,-0.2 101,-0.1 -1,-0.1 0.669 140.2 17.7-123.1 -40.2 21.1 72.9 48.7 29 29 A V X + 0 0 0 -4,-3.2 4,-2.7 100,-0.2 5,-0.2 -0.631 67.0 166.4-134.6 72.9 19.5 70.0 46.8 30 30 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.851 74.9 50.5 -67.9 -33.6 15.8 70.5 46.9 31 31 A K H > S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.902 115.7 41.9 -70.8 -38.9 14.8 68.0 44.2 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.918 115.7 51.3 -69.7 -42.9 16.9 65.2 45.8 33 33 A A H X S+ 0 0 1 -4,-2.7 4,-2.6 -8,-0.2 -2,-0.2 0.921 109.2 50.1 -57.7 -48.7 15.8 66.1 49.3 34 34 A E H X S+ 0 0 68 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.876 106.6 54.5 -63.5 -37.1 12.1 66.1 48.3 35 35 A N H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.954 112.5 43.3 -56.7 -50.4 12.3 62.6 46.7 36 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.916 114.8 51.2 -66.9 -42.3 13.8 61.1 49.8 37 37 A R H X S+ 0 0 26 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.942 112.6 43.7 -54.6 -54.7 11.2 63.0 52.0 38 38 A A H X>S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 5,-0.6 0.832 112.3 53.0 -65.4 -38.7 8.2 61.9 50.0 39 39 A L H <5S+ 0 0 0 -4,-2.5 9,-2.0 -5,-0.3 10,-0.5 0.843 108.0 53.0 -63.8 -27.5 9.5 58.3 49.8 40 40 A S H <5S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.713 111.3 43.8 -78.6 -28.4 9.9 58.4 53.6 41 41 A T H <5S- 0 0 49 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.697 98.4-133.2 -86.9 -24.0 6.2 59.5 54.3 42 42 A G T ><5 + 0 0 34 -4,-1.5 3,-2.4 4,-0.2 -3,-0.1 0.489 59.9 140.0 84.9 6.9 4.6 57.2 51.7 43 43 A E T 3 < + 0 0 104 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.639 65.9 58.1 -58.2 -21.6 2.5 60.1 50.4 44 44 A K T 3 S- 0 0 99 2,-0.6 -1,-0.3 -6,-0.5 3,-0.1 0.524 122.4-103.5 -88.3 -2.6 3.0 58.9 46.8 45 45 A G S < S+ 0 0 71 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.407 99.6 50.5 93.4 6.4 1.5 55.5 47.6 46 46 A F + 0 0 67 -4,-0.0 -2,-0.6 0, 0.0 2,-0.3 -0.949 63.2 108.6-160.8 163.8 4.9 53.8 47.7 47 47 A G S S- 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.996 70.6 -31.6 155.2-154.8 8.3 54.3 49.4 48 48 A Y S > S+ 0 0 0 -9,-2.0 3,-3.0 -2,-0.3 110,-0.3 0.727 79.7 116.4 -78.7 -17.2 10.7 53.1 52.0 49 49 A K T 3 S+ 0 0 135 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.287 92.1 7.4 -60.0 129.5 8.4 51.7 54.7 50 50 A G T 3 S+ 0 0 50 108,-3.3 -1,-0.3 1,-0.3 109,-0.1 0.265 102.0 122.1 81.9 0.5 9.2 47.9 55.0 51 51 A S < - 0 0 0 -3,-3.0 107,-2.4 107,-0.3 -1,-0.3 -0.259 53.1-125.6 -87.8 177.7 12.1 48.1 52.6 52 52 A C B -D 157 0A 27 14,-0.4 2,-1.0 105,-0.2 14,-0.5 -0.805 15.1-115.5-126.9 170.6 15.6 46.9 53.6 53 53 A F + 0 0 1 103,-2.3 103,-0.4 -2,-0.3 11,-0.2 -0.876 39.9 176.2 -97.4 99.3 19.2 47.8 53.8 54 54 A H + 0 0 34 -2,-1.0 2,-0.4 9,-0.3 98,-0.3 0.577 61.9 42.6 -85.7 -16.2 20.4 45.3 51.3 55 55 A R E +E 63 0A 33 8,-1.7 8,-3.6 96,-0.1 2,-0.5 -0.948 60.3 167.6-142.4 115.3 24.1 46.2 51.2 56 56 A I E -E 62 0A 0 94,-1.7 91,-1.8 -2,-0.4 94,-0.3 -0.996 8.7-174.7-133.5 116.6 26.1 47.1 54.3 57 57 A I E >> -E 61 0A 7 4,-2.9 3,-2.2 -2,-0.5 4,-1.5 -0.941 29.2-121.4-119.3 111.1 29.8 47.3 54.2 58 58 A P T 34 S+ 0 0 63 0, 0.0 86,-0.0 0, 0.0 3,-0.0 -0.160 95.0 11.1 -56.0 135.8 31.6 47.9 57.5 59 59 A G T 34 S+ 0 0 48 1,-0.2 56,-0.0 57,-0.1 59,-0.0 0.536 129.7 56.7 64.5 14.8 33.7 51.0 57.6 60 60 A F T <4 S- 0 0 1 -3,-2.2 56,-2.1 1,-0.2 57,-0.7 0.485 104.0 -52.8-127.8 -72.5 32.2 52.2 54.4 61 61 A M E < -EF 57 115A 0 -4,-1.5 -4,-2.9 54,-0.3 2,-0.5 -0.995 26.4-117.7-168.0 168.7 28.4 52.5 54.3 62 62 A C E -EF 56 114A 0 52,-2.2 52,-2.7 -2,-0.3 2,-0.4 -0.990 35.4-164.1-115.3 120.0 24.9 51.3 54.7 63 63 A Q E +EF 55 113A 0 -8,-3.6 -8,-1.7 -2,-0.5 -9,-0.3 -0.876 22.1 132.8-114.9 140.4 22.8 51.2 51.5 64 64 A G E + F 0 112A 0 48,-2.3 48,-1.7 -2,-0.4 -11,-0.2 -0.641 19.8 107.2-150.1-161.7 19.1 50.9 51.1 65 65 A G + 0 0 0 -13,-0.5 2,-1.6 46,-0.3 11,-0.4 0.341 44.6 125.9 92.5 4.6 16.0 52.3 49.2 66 66 A D > + 0 0 1 -14,-0.5 4,-0.9 1,-0.2 -14,-0.4 -0.640 22.2 155.7 -92.1 85.1 15.3 49.5 46.7 67 67 A F T 4 + 0 0 26 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.428 63.8 55.9 -96.3 7.8 11.8 49.1 47.7 68 68 A T T 4 S+ 0 0 64 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.783 128.9 7.6-106.2 -37.3 10.7 47.6 44.3 69 69 A R T 4 S- 0 0 154 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.447 83.8-143.4-121.3 -11.6 13.1 44.6 44.0 70 70 A H S < S+ 0 0 97 -4,-0.9 -3,-0.1 1,-0.1 -4,-0.0 0.700 81.3 76.9 63.0 20.7 14.8 44.6 47.5 71 71 A N S S- 0 0 92 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.323 112.0 -87.8-146.7 7.0 18.2 43.6 46.1 72 72 A G S S+ 0 0 14 -6,-0.1 483,-0.2 482,-0.1 39,-0.1 0.194 108.7 87.9 100.0 -13.8 19.8 46.6 44.5 73 73 A T S S+ 0 0 83 -7,-0.1 2,-0.1 481,-0.1 -7,-0.0 0.612 87.4 45.9 -94.2 -10.0 18.5 46.4 41.0 74 74 A G + 0 0 8 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.037 51.7 119.7-110.3-147.7 15.2 48.3 41.6 75 75 A G - 0 0 10 34,-0.1 2,-0.3 -9,-0.1 -9,-0.1 -0.186 36.2-143.9 100.0 157.7 13.9 51.5 43.2 76 76 A K - 0 0 79 -11,-0.4 33,-0.1 -2,-0.1 -9,-0.1 -0.920 7.6-129.0-159.6 147.9 12.1 54.4 41.7 77 77 A S > - 0 0 5 -2,-0.3 3,-0.9 31,-0.2 33,-0.1 -0.310 29.6-114.3 -89.7 165.0 12.0 58.2 42.2 78 78 A I T 3 S+ 0 0 31 1,-0.2 -1,-0.1 31,-0.2 4,-0.1 0.445 105.6 79.7 -71.7 -3.5 8.8 60.2 42.7 79 79 A Y T 3 S- 0 0 72 2,-0.4 -1,-0.2 30,-0.1 3,-0.1 0.503 105.9-114.5 -91.6 -1.6 9.6 61.8 39.4 80 80 A G S < S+ 0 0 78 -3,-0.9 2,-0.3 1,-0.1 -2,-0.1 0.357 95.1 39.4 90.3 3.0 8.3 59.0 37.1 81 81 A E S S- 0 0 137 28,-0.1 -2,-0.4 27,-0.1 -4,-0.1 -0.981 102.8 -77.0-173.8 158.8 11.8 58.5 35.9 82 82 A K - 0 0 106 -2,-0.3 2,-0.3 -3,-0.1 27,-0.2 -0.458 57.2-138.5 -66.5 149.9 15.4 58.4 37.2 83 83 A F B -I 108 0B 3 25,-2.4 25,-2.2 1,-0.1 -1,-0.1 -0.701 11.4 -94.3-123.0 161.8 16.5 62.0 37.7 84 84 A E - 0 0 81 -2,-0.3 2,-0.7 23,-0.2 -1,-0.1 -0.162 45.4 -92.2 -68.2 157.8 19.7 64.0 37.1 85 85 A D - 0 0 23 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.699 38.1-154.7 -66.4 114.9 22.5 64.6 39.6 86 86 A E - 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0 0 48 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.328 62.6 -32.5 61.5-113.8 45.5 41.1 2.6 499 32 D F T 3 S+ 0 0 16 -2,-0.3 -1,-0.2 -3,-0.1 113,-0.2 -0.454 91.9 142.4-138.5 53.5 42.3 39.8 4.2 500 33 D S S X S- 0 0 22 -3,-1.9 3,-1.7 1,-0.1 4,-0.3 -0.462 72.4 -95.3 -84.4 160.6 42.4 36.2 3.2 501 34 D P T > S+ 0 0 52 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.732 117.0 78.0 -54.4 -20.6 41.2 33.8 5.8 502 35 D E T 3> S+ 0 0 111 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.738 78.1 71.8 -64.7 -27.1 44.8 33.3 7.0 503 36 D V H <> S+ 0 0 0 -3,-1.7 4,-2.0 -6,-0.2 -1,-0.3 0.822 91.3 59.4 -54.7 -33.0 44.8 36.6 8.8 504 37 D I H <> S+ 0 0 20 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 0.970 104.7 43.3 -72.7 -52.7 42.5 35.2 11.5 505 38 D P H > S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.951 116.6 51.9 -55.2 -40.4 44.6 32.3 12.8 506 39 D M H X S+ 0 0 85 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.887 106.2 51.5 -63.8 -38.0 47.6 34.6 12.8 507 40 D F H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.932 107.7 53.5 -67.6 -36.8 45.8 37.3 14.6 508 41 D S H < S+ 0 0 37 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.930 113.3 42.8 -60.9 -45.1 44.9 34.8 17.3 509 42 D A H >< S+ 0 0 55 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.955 113.3 49.7 -62.8 -50.7 48.5 33.6 17.8 510 43 D L H 3< S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.671 112.7 50.0 -62.6 -21.8 50.1 37.1 17.7 511 44 D S T >< S+ 0 0 1 -4,-1.3 3,-1.8 -3,-0.3 -1,-0.3 0.088 73.5 145.6-111.3 22.4 47.6 38.3 20.3 512 45 D E T < S- 0 0 127 -3,-1.7 -3,-0.1 1,-0.3 -4,-0.0 -0.335 79.8 -1.3 -63.8 128.5 47.9 35.6 22.9 513 46 D G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 -2,-0.0 81,-0.1 0.609 95.3 158.3 67.7 11.1 47.5 37.1 26.4 514 47 D A < - 0 0 6 -3,-1.8 -1,-0.2 80,-0.1 84,-0.1 -0.323 36.4-136.1 -70.8 152.3 47.0 40.5 25.1 515 48 D T > - 0 0 6 79,-0.1 4,-2.4 78,-0.1 3,-0.2 -0.589 35.5 -99.5 -91.8 159.6 45.3 43.3 27.0 516 49 D P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.878 124.6 56.0 -48.1 -43.7 42.9 45.5 25.2 517 50 D Q H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.940 107.7 48.8 -60.6 -41.4 45.5 48.2 24.9 518 51 D D H > S+ 0 0 5 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 109.9 51.5 -62.0 -46.8 47.8 45.7 23.1 519 52 D L H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.922 110.4 49.4 -52.8 -46.7 45.0 44.6 20.8 520 53 D N H X S+ 0 0 27 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.834 108.2 52.6 -65.9 -29.0 44.3 48.2 19.9 521 54 D T H X S+ 0 0 48 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.915 109.1 50.5 -76.6 -32.5 48.0 49.0 19.2 522 55 D M H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.890 114.3 43.4 -66.4 -44.1 48.1 46.0 16.9 523 56 D L H >< S+ 0 0 8 -4,-2.2 3,-1.3 -5,-0.2 -2,-0.2 0.909 110.7 55.2 -67.1 -33.5 45.0 47.2 15.0 524 57 D N H 3< S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.688 98.0 63.8 -74.5 -16.5 46.2 50.9 15.0 525 58 D T T 3< S+ 0 0 57 -4,-1.2 2,-0.9 -5,-0.2 -1,-0.3 0.723 77.2 101.2 -79.8 -17.6 49.4 50.0 13.3 526 59 D V < - 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0 0 114 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.123 30.9-101.3 -47.9 143.5 23.5 45.9 33.7 553 86 D V - 0 0 69 -450,-0.1 3,-0.1 1,-0.1 14,-0.0 -0.600 39.7-128.8 -70.8 117.2 25.6 48.5 35.6 554 87 D A - 0 0 70 -2,-0.5 11,-0.1 1,-0.1 -481,-0.1 -0.277 35.8 -85.5 -63.4 148.5 25.6 47.4 39.3 555 88 D A - 0 0 26 -483,-0.2 -452,-0.2 -452,-0.1 -1,-0.1 -0.345 57.8-119.9 -59.0 139.9 24.7 50.1 41.9 556 89 D A B S+J 102 0C 26 -454,-3.4 -454,-1.6 -3,-0.1 2,-0.1 -0.729 80.2 92.7 -98.7 158.7 27.5 52.3 42.9 557 90 D P S S- 0 0 0 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.255 72.2-140.3 -84.4 142.7 29.1 53.2 45.2 558 91 D I - 0 0 71 -2,-0.1 4,-0.1 1,-0.1 -2,-0.1 -0.475 21.5-108.2 -73.1 142.4 31.7 50.5 44.7 559 92 D A > - 0 0 4 -2,-0.2 3,-1.0 1,-0.1 -1,-0.1 -0.395 43.5 -94.4 -72.1 141.8 33.0 48.8 47.7 560 93 D P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.098 114.0 26.8 -56.1 150.1 36.6 49.7 48.6 561 94 D G T 3 S+ 0 0 85 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.810 103.1 114.9 63.0 21.2 39.1 47.2 47.2 562 95 D Q < - 0 0 62 -3,-1.0 2,-0.4 -4,-0.1 -1,-0.3 -0.926 61.3-136.4-122.2 154.4 36.6 46.4 44.4 563 96 D M - 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0 0 77 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.456 31.7-108.0 -84.8 161.3 2.1 70.7 37.7 1056 111 G L H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.936 120.2 55.8 -54.5 -40.1 4.8 73.4 37.9 1057 112 G Q H > S+ 0 0 132 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.910 106.0 47.3 -64.1 -40.9 4.8 73.3 34.0 1058 113 G E H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.885 110.4 54.5 -62.1 -40.0 1.2 74.1 33.6 1059 114 G Q H X S+ 0 0 3 -4,-1.6 4,-2.6 2,-0.2 12,-0.2 0.941 111.0 44.6 -61.8 -50.8 1.6 76.9 36.2 1060 115 G I H X S+ 0 0 19 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.958 110.9 56.7 -57.0 -45.1 4.4 78.4 34.1 1061 116 G G H X S+ 0 0 20 -4,-3.2 4,-0.6 -5,-0.3 -2,-0.2 0.898 111.4 39.6 -56.8 -45.3 2.3 77.9 31.1 1062 117 G W H >< S+ 0 0 1 -4,-2.7 7,-2.7 1,-0.2 3,-0.7 0.913 115.7 51.7 -67.0 -45.2 -0.6 79.9 32.5 1063 118 G M H 3< S+ 0 0 31 -4,-2.6 -2,-0.2 5,-0.2 -1,-0.2 0.787 116.2 40.2 -62.7 -27.9 1.6 82.6 34.0 1064 119 G T H 3< S+ 0 0 51 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.413 89.5 115.6-108.6 5.4 3.6 83.1 30.7 1065 120 G H S << S- 0 0 65 -3,-0.7 -3,-0.1 -4,-0.6 -25,-0.0 -0.218 74.3 -95.2 -69.0 164.0 0.7 83.0 28.3 1066 121 G N S S+ 0 0 146 1,-0.5 -1,-0.1 2,-0.1 -2,-0.1 -0.961 125.8 18.1-123.9 105.7 -0.4 85.9 26.1 1067 122 G P S S- 0 0 104 0, 0.0 -1,-0.5 0, 0.0 -2,-0.1 0.659 112.7-137.2 -83.4 156.0 -2.5 87.1 27.6 1068 123 G P - 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0 0 24 -3,-1.2 3,-2.8 -2,-0.2 4,-0.3 -0.624 65.2 -98.2 -91.6 161.3 -17.2 91.8 63.3 1115 34 H P T > S+ 0 0 31 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.807 115.6 74.0 -52.2 -21.6 -16.0 89.3 60.7 1116 35 H E T 3> S+ 0 0 101 1,-0.3 4,-1.2 2,-0.2 5,-0.1 0.680 79.2 73.0 -74.5 -17.0 -19.5 88.8 59.5 1117 36 H V H <> S+ 0 0 0 -3,-2.8 4,-2.5 -6,-0.2 -1,-0.3 0.793 89.3 60.6 -57.5 -34.0 -19.6 92.1 57.8 1118 37 H I H <> S+ 0 0 19 -3,-1.6 4,-2.2 -4,-0.3 5,-0.2 0.982 103.8 45.2 -69.5 -49.7 -17.3 90.8 55.0 1119 38 H P H > S+ 0 0 86 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.915 115.5 50.4 -58.4 -37.0 -19.5 88.0 53.6 1120 39 H M H X S+ 0 0 68 -4,-1.2 4,-2.5 1,-0.2 5,-0.2 0.921 106.7 52.7 -69.5 -41.7 -22.5 90.3 53.8 1121 40 H F H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.935 107.8 53.0 -56.0 -40.1 -20.8 93.1 52.0 1122 41 H S H < S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 110.4 45.8 -70.3 -30.7 -19.9 90.7 49.2 1123 42 H A H >< S+ 0 0 53 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.896 112.2 49.7 -78.7 -36.4 -23.5 89.5 48.8 1124 43 H L H 3< S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.679 109.5 54.5 -74.9 -13.0 -25.1 92.9 48.8 1125 44 H S T >< + 0 0 0 -4,-1.1 3,-1.8 -5,-0.2 -1,-0.3 0.150 69.6 145.3-111.9 19.3 -22.6 94.1 46.2 1126 45 H E T < S- 0 0 134 -3,-1.1 3,-0.1 1,-0.3 -3,-0.1 -0.374 80.7 -0.3 -60.1 122.6 -23.0 91.6 43.4 1127 46 H G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 -2,-0.0 2,-0.1 0.608 93.5 161.7 78.0 11.6 -22.5 93.2 40.0 1128 47 H A < - 0 0 5 -3,-1.8 -1,-0.2 80,-0.1 84,-0.1 -0.427 32.7-140.9 -65.1 141.3 -21.9 96.5 41.6 1129 48 H T > - 0 0 4 -2,-0.1 4,-2.1 -3,-0.1 3,-0.3 -0.509 34.5-100.5 -85.2 163.1 -20.2 99.2 39.6 1130 49 H P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.813 125.1 58.8 -50.4 -37.3 -17.7 101.3 41.3 1131 50 H Q H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.928 107.5 46.7 -61.6 -39.9 -20.3 104.0 41.6 1132 51 H D H > S+ 0 0 9 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.888 107.5 54.6 -66.3 -44.9 -22.5 101.6 43.5 1133 52 H L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.877 110.1 49.7 -55.8 -40.4 -19.7 100.4 45.8 1134 53 H N H X S+ 0 0 37 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.912 106.8 52.1 -68.7 -38.4 -19.1 104.0 46.8 1135 54 H T H X S+ 0 0 52 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.922 109.8 52.0 -64.3 -39.5 -22.8 104.8 47.5 1136 55 H M H < S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.895 111.4 45.9 -59.8 -42.0 -22.8 101.8 49.7 1137 56 H L H >< S+ 0 0 13 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.900 108.6 56.9 -69.8 -30.9 -19.7 103.1 51.6 1138 57 H N H 3< S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.847 94.3 64.8 -67.0 -39.3 -21.1 106.6 51.9 1139 58 H T T 3< S+ 0 0 59 -4,-1.6 2,-1.0 -5,-0.2 -1,-0.3 0.749 80.8 97.2 -58.2 -25.8 -24.3 105.5 53.6 1140 59 H V < + 0 0 17 -3,-1.1 3,-0.3 -4,-0.5 2,-0.2 -0.533 56.1 178.0 -73.1 105.1 -22.1 104.4 56.6 1141 60 H G + 0 0 54 -2,-1.0 -2,-0.1 1,-0.2 -3,-0.0 -0.621 50.9 29.7-102.0 156.3 -22.1 107.1 59.2 1142 61 H G S S+ 0 0 82 -2,-0.2 -1,-0.2 1,-0.1 3,-0.0 0.733 91.4 87.7 79.6 21.5 -20.5 107.3 62.6 1143 62 H H > + 0 0 57 -3,-0.3 4,-2.2 1,-0.0 5,-0.2 -0.500 47.3 153.5-141.8 48.9 -17.5 105.0 62.1 1144 63 H Q H > + 0 0 145 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.859 67.1 49.3 -55.9 -44.7 -15.1 107.7 60.8 1145 64 H A H > S+ 0 0 61 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.893 113.0 47.7 -64.4 -46.6 -11.8 106.2 61.8 1146 65 H A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.896 109.6 53.4 -56.1 -41.3 -12.7 102.9 60.3 1147 66 H M H X S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.886 108.2 51.5 -66.3 -30.8 -13.8 104.6 57.1 1148 67 H Q H X S+ 0 0 79 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.847 106.0 52.7 -77.0 -28.7 -10.5 106.3 56.9 1149 68 H M H X S+ 0 0 28 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.918 110.6 50.0 -68.1 -38.5 -8.6 103.0 57.3 1150 69 H L H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.949 108.5 50.7 -63.3 -50.0 -10.6 101.7 54.4 1151 70 H K H X S+ 0 0 100 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.871 107.7 55.1 -57.7 -35.1 -9.9 104.7 52.3 1152 71 H E H X S+ 0 0 82 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.895 108.2 47.6 -61.5 -44.3 -6.1 104.2 53.0 1153 72 H T H X S+ 0 0 9 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.945 113.1 48.7 -61.2 -45.6 -6.3 100.7 51.8 1154 73 H I H X S+ 0 0 14 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.936 111.1 50.4 -56.7 -45.8 -8.1 101.8 48.7 1155 74 H N H X S+ 0 0 103 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.895 113.4 46.9 -63.7 -36.9 -5.6 104.6 48.1 1156 75 H E H X S+ 0 0 115 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.918 112.4 47.1 -72.9 -45.8 -2.8 102.1 48.5 1157 76 H E H X S+ 0 0 61 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.884 110.8 52.9 -60.7 -38.9 -4.3 99.4 46.2 1158 77 H A H X S+ 0 0 12 -4,-2.6 4,-1.9 -5,-0.2 24,-0.3 0.913 109.3 48.8 -69.5 -41.8 -5.0 102.0 43.5 1159 78 H A H X S+ 0 0 58 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.879 111.6 49.1 -59.5 -34.1 -1.5 103.2 43.6 1160 79 H E H X S+ 0 0 70 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.935 108.0 54.9 -72.9 -41.7 -0.2 99.7 43.3 1161 80 H W H < S+ 0 0 49 -4,-3.1 4,-0.5 1,-0.2 3,-0.4 0.937 109.7 47.2 -53.9 -50.5 -2.6 99.0 40.4 1162 81 H D H >< S+ 0 0 54 -4,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.907 108.7 54.8 -60.4 -40.7 -1.1 102.0 38.6 1163 82 H R H 3< S+ 0 0 153 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.811 112.3 43.2 -58.3 -42.4 2.4 100.8 39.3 1164 83 H L T 3< S+ 0 0 97 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.270 114.2 50.3 -91.7 6.5 1.6 97.5 37.7 1165 84 H H S < S- 0 0 71 -3,-1.1 -1,-0.2 -4,-0.5 3,-0.1 -0.682 73.3-165.2-143.3 85.1 -0.3 98.7 34.6 1166 85 H P - 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0 0 52 -2,-0.3 4,-3.6 1,-0.1 5,-0.2 -0.726 25.4-113.9-107.6 170.6 -17.9 107.6 34.8 1192 111 H L H > S+ 0 0 31 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.917 117.5 55.7 -67.6 -38.5 -20.7 105.2 35.0 1193 112 H Q H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 112.0 42.1 -55.7 -54.9 -20.6 104.8 31.2 1194 113 H E H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.937 110.6 55.6 -59.0 -52.3 -16.9 103.9 31.3 1195 114 H Q H X S+ 0 0 4 -4,-3.6 4,-1.4 1,-0.2 12,-0.3 0.958 110.5 48.2 -46.5 -55.2 -17.3 101.7 34.3 1196 115 H I H X S+ 0 0 51 -4,-3.3 4,-1.2 1,-0.2 -2,-0.2 0.877 108.0 51.9 -56.3 -41.8 -20.0 99.8 32.4 1197 116 H G H X S+ 0 0 9 -4,-2.1 4,-2.7 1,-0.2 3,-0.5 0.920 108.7 50.3 -65.0 -38.5 -18.0 99.4 29.2 1198 117 H W H < S+ 0 0 6 -4,-2.4 7,-4.3 1,-0.2 -1,-0.2 0.849 112.2 50.3 -62.3 -35.5 -15.0 97.9 31.0 1199 118 H M H < S+ 0 0 55 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.630 116.8 39.6 -80.1 -18.9 -17.5 95.5 32.6 1200 119 H T H < S+ 0 0 95 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.2 0.809 87.6 109.5 -98.5 -45.7 -19.1 94.5 29.3 1201 120 H H S < S- 0 0 105 -4,-2.7 -3,-0.0 -5,-0.2 -4,-0.0 0.037 79.1 -91.1 -38.5 140.6 -16.1 94.2 26.9 1202 121 H N S S+ 0 0 106 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 -0.861 126.4 20.9 -96.8 104.7 -14.9 90.8 25.6 1203 122 H P S S- 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.570 109.8-132.0 -84.8 162.5 -12.8 90.1 27.6 1204 123 H P - 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