==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 05-JUN-98 1CWO . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.MIKOL,J.KALLEN,P.TAYLOR,M.D.WALKINSHAW . 175 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 28.0 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 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 . 3 0 3 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 0 203 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.6 13.9 36.8 75.3 2 2 A V - 0 0 91 163,-0.0 24,-0.0 24,-0.0 163,-0.0 -0.964 360.0 -86.0-164.3 154.9 11.4 39.8 75.0 3 3 A N - 0 0 19 -2,-0.3 22,-0.1 1,-0.1 2,-0.0 -0.443 53.3-103.7 -68.0 143.7 10.7 42.7 72.6 4 4 A P - 0 0 15 0, 0.0 20,-2.7 0, 0.0 2,-0.4 -0.336 27.6-150.3 -71.4 145.9 12.7 45.8 73.3 5 5 A T E -A 23 0A 5 160,-2.7 159,-2.8 18,-0.2 160,-1.5 -0.980 15.7-176.2-115.9 131.5 11.2 48.8 75.0 6 6 A V E -AB 22 163A 0 16,-2.3 16,-3.0 -2,-0.4 2,-0.3 -0.882 7.7-152.6-125.7 154.1 12.4 52.3 74.1 7 7 A F E -AB 21 162A 21 155,-2.5 155,-1.6 -2,-0.3 2,-0.4 -0.935 7.8-161.9-130.4 154.3 11.5 55.7 75.6 8 8 A F E -AB 20 161A 0 12,-2.3 12,-2.7 -2,-0.3 2,-0.7 -0.993 12.5-149.3-129.5 132.2 11.4 59.4 74.4 9 9 A D E -AB 19 160A 35 151,-3.2 150,-1.7 -2,-0.4 151,-1.2 -0.957 26.0-149.8-102.0 114.2 11.2 62.3 76.9 10 10 A I E -AB 18 158A 2 8,-2.9 7,-3.1 -2,-0.7 8,-0.9 -0.689 15.2-171.7 -89.9 143.1 9.3 65.0 74.9 11 11 A A E -AB 16 157A 3 146,-2.4 146,-2.3 -2,-0.3 2,-0.5 -0.953 17.8-147.5-134.7 151.8 9.8 68.7 75.4 12 12 A V E > S-AB 15 156A 14 3,-2.8 3,-2.2 -2,-0.3 144,-0.2 -0.968 89.2 -24.7-121.3 109.2 8.0 71.8 74.1 13 13 A D T 3 S- 0 0 100 142,-2.9 -1,-0.1 -2,-0.5 143,-0.1 0.896 129.3 -51.2 52.3 38.2 10.4 74.7 73.6 14 14 A G T 3 S+ 0 0 56 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.150 112.2 120.3 90.0 -22.5 12.6 73.0 76.2 15 15 A E E < S-A 12 0A 146 -3,-2.2 -3,-2.8 1,-0.1 -1,-0.2 -0.697 71.0-112.0 -79.3 126.9 9.9 72.5 78.9 16 16 A P E +A 11 0A 101 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.350 35.3 176.5 -61.8 126.7 9.4 68.8 79.7 17 17 A L E - 0 0 60 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.880 50.1 -89.8 -92.5 -62.1 6.1 67.4 78.6 18 18 A G E -A 10 0A 24 -8,-0.9 -8,-2.9 120,-0.0 2,-0.4 -0.988 41.4 -61.2 170.8-174.3 6.6 63.7 79.6 19 19 A R E -A 9 0A 122 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.816 30.6-167.7-104.4 133.9 7.8 60.3 78.6 20 20 A V E -A 8 0A 2 -12,-2.7 -12,-2.3 -2,-0.4 2,-0.4 -0.966 11.0-162.8-114.4 128.1 6.4 58.1 75.8 21 21 A S E -AC 7 134A 12 113,-2.7 112,-3.3 -2,-0.5 113,-1.6 -0.940 3.6-162.2-115.8 140.7 7.5 54.5 75.8 22 22 A F E -AC 6 132A 0 -16,-3.0 -16,-2.3 -2,-0.4 2,-0.5 -0.938 15.6-140.2-122.7 145.8 7.2 52.1 72.8 23 23 A E E -AC 5 131A 51 108,-2.6 108,-1.9 -2,-0.4 2,-0.5 -0.861 22.8-146.6 -97.7 132.5 7.3 48.4 72.4 24 24 A L E - C 0 130A 0 -20,-2.7 2,-2.2 -2,-0.5 106,-0.3 -0.894 11.0-133.4-104.4 127.7 9.3 47.4 69.2 25 25 A F >> + 0 0 20 104,-2.7 4,-2.6 -2,-0.5 3,-1.3 -0.383 42.4 156.6 -79.6 67.7 8.1 44.3 67.4 26 26 A A T 34 + 0 0 26 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.751 67.1 65.7 -61.6 -28.0 11.5 42.7 66.9 27 27 A D T 34 S+ 0 0 91 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.761 116.1 24.1 -67.4 -26.0 9.8 39.3 66.6 28 28 A K T <4 S+ 0 0 72 -3,-1.3 -2,-0.2 1,-0.1 -1,-0.1 0.726 138.4 24.2-110.1 -33.8 8.1 40.2 63.3 29 29 A V X + 0 0 0 -4,-2.6 4,-2.6 100,-0.1 5,-0.3 -0.558 69.1 164.5-132.8 70.5 10.2 43.0 61.9 30 30 A P H > S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.873 75.3 46.4 -55.2 -45.7 13.7 42.5 63.4 31 31 A K H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.909 116.1 45.3 -68.4 -37.4 15.7 44.7 61.1 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.877 114.0 48.3 -73.9 -38.0 13.3 47.6 61.3 33 33 A A H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.895 110.5 52.1 -67.9 -41.8 12.9 47.4 65.1 34 34 A E H X S+ 0 0 65 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.901 105.9 54.4 -63.2 -40.6 16.8 47.2 65.5 35 35 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.961 112.7 42.4 -56.6 -53.2 17.2 50.4 63.4 36 36 A F H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.898 114.4 52.1 -62.4 -40.5 14.8 52.4 65.6 37 37 A R H X S+ 0 0 31 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.934 111.3 45.2 -61.2 -50.0 16.3 50.9 68.8 38 38 A A H X>S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 5,-0.6 0.865 111.1 53.2 -64.6 -36.4 19.9 51.8 67.9 39 39 A L H <5S+ 0 0 1 -4,-2.2 9,-1.8 -5,-0.3 10,-0.5 0.809 108.0 53.5 -69.0 -26.2 18.9 55.3 66.8 40 40 A S H <5S+ 0 0 2 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.847 113.5 39.3 -77.7 -35.2 17.2 55.7 70.2 41 41 A T H <5S- 0 0 52 -4,-1.6 -2,-0.2 121,-0.2 -1,-0.2 0.755 98.1-137.6 -84.6 -24.1 20.3 54.7 72.2 42 42 A G T ><5 + 0 0 28 -4,-1.9 3,-2.5 -5,-0.2 4,-0.2 0.518 53.1 145.7 78.4 10.3 22.6 56.6 69.9 43 43 A E T 3 < + 0 0 97 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.612 64.2 57.1 -55.7 -19.9 25.1 53.8 70.1 44 44 A K T 3 S- 0 0 108 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.297 124.4 -98.1 -93.9 6.6 26.3 54.2 66.4 45 45 A G S < S+ 0 0 73 -3,-2.5 2,-0.3 1,-0.2 -2,-0.2 0.528 101.0 59.9 92.6 0.8 27.3 57.8 67.1 46 46 A F + 0 0 64 -4,-0.2 -2,-0.5 32,-0.0 2,-0.3 -0.958 60.5 116.9-152.2 161.6 24.1 59.5 65.7 47 47 A G - 0 0 16 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.993 65.5 -47.6 166.5-167.8 20.4 59.3 66.5 48 48 A Y S > S+ 0 0 0 -9,-1.8 3,-2.5 -2,-0.3 110,-0.3 0.678 80.0 115.2 -71.2 -26.4 17.2 60.8 67.7 49 49 A K T 3 S+ 0 0 139 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.270 88.4 10.3 -54.4 121.3 18.3 62.7 70.8 50 50 A G T 3 S+ 0 0 49 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.327 99.9 120.4 93.3 -7.7 17.8 66.4 70.3 51 51 A S < - 0 0 1 -3,-2.5 107,-2.6 107,-0.2 -1,-0.3 -0.417 53.2-127.4 -86.7 167.3 15.8 66.1 67.0 52 52 A C B -D 157 0A 16 14,-0.3 2,-1.0 105,-0.2 13,-0.5 -0.654 16.5-113.5-115.7 165.4 12.3 67.5 66.5 53 53 A F - 0 0 2 103,-2.3 103,-0.4 -2,-0.2 11,-0.2 -0.884 37.2-177.8 -93.8 98.7 8.9 66.3 65.3 54 54 A H + 0 0 41 -2,-1.0 2,-0.4 9,-0.3 98,-0.3 0.625 63.5 41.9 -78.0 -14.6 8.8 68.5 62.2 55 55 A R E +E 63 0A 34 8,-1.5 8,-3.4 96,-0.1 2,-0.4 -0.922 59.1 166.9-142.3 113.6 5.3 67.5 61.0 56 56 A I E -E 62 0A 0 94,-2.4 91,-2.0 -2,-0.4 94,-0.4 -0.985 7.9-176.5-130.9 119.0 2.2 67.1 63.3 57 57 A I E >> -E 61 0A 14 4,-2.4 3,-2.1 -2,-0.4 4,-1.2 -0.963 30.1-122.9-118.2 109.7 -1.3 66.8 61.8 58 58 A P T 34 S+ 0 0 63 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.253 95.7 15.6 -52.7 136.1 -4.1 66.6 64.4 59 59 A G T 34 S+ 0 0 53 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.457 128.5 55.5 77.6 2.1 -6.3 63.5 64.0 60 60 A F T <4 S- 0 0 3 -3,-2.1 56,-2.6 1,-0.2 57,-0.8 0.565 103.7 -56.2-125.3 -75.7 -3.7 61.8 61.8 61 61 A M E < -EF 57 115A 0 -4,-1.2 -4,-2.4 54,-0.3 2,-0.5 -0.982 28.5-114.9-167.2 171.6 -0.1 61.5 63.1 62 62 A C E -EF 56 114A 0 52,-2.0 52,-2.2 -2,-0.3 2,-0.4 -0.994 34.1-159.5-118.8 121.7 3.1 63.0 64.6 63 63 A Q E +EF 55 113A 1 -8,-3.4 -8,-1.5 -2,-0.5 -9,-0.3 -0.880 25.4 133.6-109.5 137.3 6.2 62.6 62.3 64 64 A G E + F 0 112A 0 48,-2.1 48,-1.8 -2,-0.4 -11,-0.2 -0.766 18.6 105.1-154.0-163.6 9.8 62.9 63.3 65 65 A G + 0 0 0 -13,-0.5 2,-1.5 46,-0.2 11,-0.2 0.452 42.4 129.1 97.5 -2.3 13.3 61.3 63.0 66 66 A D > + 0 0 2 -14,-0.5 4,-0.7 1,-0.2 -14,-0.3 -0.670 20.7 158.5 -86.3 85.1 15.1 63.7 60.7 67 67 A F T 4 + 0 0 26 -2,-1.5 -1,-0.2 2,-0.1 -20,-0.1 0.514 67.0 49.8 -85.8 -4.6 18.2 64.2 62.8 68 68 A T T 4 S+ 0 0 70 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.866 130.1 9.3 -98.9 -47.1 20.4 65.4 59.9 69 69 A R T 4 S- 0 0 161 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.511 83.0-145.6-109.9 -12.7 18.4 68.1 58.1 70 70 A H S < S+ 0 0 94 -4,-0.7 -3,-0.1 1,-0.1 -4,-0.1 0.602 78.4 82.1 57.0 19.9 15.6 68.5 60.6 71 71 A N S S- 0 0 99 -7,-0.0 101,-0.1 -16,-0.0 -1,-0.1 0.364 109.7 -89.9-133.5 4.1 13.0 69.3 57.9 72 72 A G S S+ 0 0 0 99,-0.1 39,-0.1 -6,-0.1 101,-0.1 0.311 110.1 85.5 103.5 -9.5 11.8 66.0 56.5 73 73 A T S S+ 0 0 61 98,-0.1 98,-0.1 99,-0.1 2,-0.1 0.542 87.4 52.7 -99.7 -8.1 14.4 65.6 53.7 74 74 A G + 0 0 13 98,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.185 52.4 91.4-113.0-158.7 17.1 64.0 55.8 75 75 A G - 0 0 8 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.088 42.1-145.7 92.6 165.0 18.0 61.2 58.2 76 76 A K - 0 0 67 -11,-0.2 5,-0.2 33,-0.1 6,-0.2 -0.979 13.6-105.9-161.6 162.2 19.5 57.8 57.6 77 77 A S B > -I 80 0B 1 4,-1.3 3,-0.8 3,-0.7 33,-0.1 -0.283 32.1-111.0 -86.6 174.0 19.4 54.2 58.9 78 78 A I T 3 S+ 0 0 31 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.395 114.5 61.8 -82.7 1.0 22.1 52.3 60.8 79 79 A Y T 3 S- 0 0 92 1,-0.4 2,-0.3 2,-0.1 -1,-0.2 0.304 124.9 -76.5-107.9 6.5 22.6 50.1 57.7 80 80 A G B < S-I 77 0B 42 -3,-0.8 -3,-0.7 1,-0.2 -1,-0.4 -0.938 84.6 -32.3 129.8-151.0 23.8 52.9 55.4 81 81 A E S S- 0 0 121 -2,-0.3 -4,-1.3 -5,-0.2 2,-0.3 0.985 118.9 -7.2 -68.8 -59.5 21.5 55.5 53.7 82 82 A K - 0 0 107 -6,-0.2 2,-0.3 -3,-0.2 27,-0.2 -0.900 59.5-154.5-137.7 160.6 18.3 53.5 53.2 83 83 A F B -J 108 0C 8 25,-1.9 25,-2.2 -2,-0.3 3,-0.1 -0.938 27.3 -91.3-137.7 159.9 16.9 49.9 53.5 84 84 A E - 0 0 77 -2,-0.3 2,-0.8 23,-0.2 3,-0.1 -0.030 46.7 -91.9 -63.2 165.3 14.1 47.8 52.0 85 85 A D - 0 0 24 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.766 38.4-155.0 -80.6 112.4 10.6 47.3 53.3 86 86 A E - 0 0 50 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.922 57.1 -46.7 -55.5 -56.3 11.0 44.3 55.6 87 87 A N - 0 0 42 -3,-0.1 -1,-0.2 41,-0.1 41,-0.1 -0.952 36.8-126.6-169.6 168.9 7.4 43.0 55.4 88 88 A F + 0 0 89 -2,-0.3 36,-0.1 1,-0.1 38,-0.1 -0.156 62.6 125.3-119.7 38.8 3.8 44.2 55.7 89 89 A I + 0 0 106 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.917 63.9 59.6 -62.7 -47.1 2.6 41.8 58.4 90 90 A L S S- 0 0 42 38,-0.3 38,-0.5 -3,-0.1 34,-0.3 -0.591 72.5-150.2 -89.5 148.3 1.3 44.5 60.7 91 91 A K - 0 0 123 -2,-0.2 2,-1.8 32,-0.1 3,-0.2 -0.741 29.2-105.4-115.7 163.7 -1.4 47.2 60.0 92 92 A H + 0 0 1 -2,-0.3 27,-0.9 1,-0.2 30,-0.1 -0.626 54.7 159.7 -84.3 79.8 -2.2 50.7 61.0 93 93 A T - 0 0 84 -2,-1.8 25,-0.2 25,-0.2 -1,-0.2 0.609 54.3 -40.1 -82.8 -15.4 -5.1 49.6 63.2 94 94 A G S > S- 0 0 10 23,-0.3 3,-1.2 -3,-0.2 23,-0.3 -0.989 85.6 -28.2 175.3-171.0 -5.4 52.6 65.5 95 95 A P T 3 S+ 0 0 84 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.338 113.0 38.3 -67.8 150.5 -3.8 55.3 67.7 96 96 A G T 3 S+ 0 0 4 19,-3.1 36,-2.2 1,-0.3 2,-0.2 0.309 77.5 141.4 94.9 -7.6 -0.4 54.5 69.1 97 97 A I E < -G 131 0A 17 -3,-1.2 18,-2.7 34,-0.2 2,-0.5 -0.488 41.4-148.3 -71.7 133.1 0.9 52.7 66.0 98 98 A L E +GH 130 114A 0 32,-2.6 31,-2.3 16,-0.2 32,-1.3 -0.928 27.5 168.3-104.2 124.6 4.6 53.4 65.2 99 99 A S E -GH 128 113A 0 14,-2.7 14,-2.7 -2,-0.5 2,-0.4 -0.930 35.0-102.1-139.6 158.5 5.4 53.2 61.5 100 100 A M E - H 0 112A 0 27,-1.9 12,-0.3 -2,-0.3 27,-0.2 -0.668 25.0-144.7 -86.1 127.3 8.1 54.1 59.0 101 101 A A + 0 0 2 10,-1.7 8,-0.5 -2,-0.4 2,-0.3 -0.466 32.6 166.1 -78.4 157.6 7.9 57.2 56.8 102 102 A N B -k 170 0D 5 67,-1.4 69,-1.3 6,-0.1 6,-0.1 -0.907 48.0-120.3-157.3-174.4 9.4 56.8 53.3 103 103 A A S S- 0 0 28 1,-0.6 67,-0.1 -2,-0.3 5,-0.1 -0.116 83.4 -56.7-127.1 33.7 9.8 58.1 49.8 104 104 A G S > S- 0 0 23 21,-0.2 3,-0.6 3,-0.0 -1,-0.6 -0.650 99.9 -5.8 119.2-175.5 8.3 55.1 48.0 105 105 A P T 3 S- 0 0 109 0, 0.0 21,-0.0 0, 0.0 20,-0.0 -0.174 127.0 -0.8 -55.8 136.9 9.1 51.4 47.9 106 106 A N T 3 S+ 0 0 89 1,-0.1 -22,-0.1 -4,-0.0 -24,-0.1 0.869 92.1 118.3 49.6 55.4 12.3 50.3 49.8 107 107 A T < + 0 0 26 -3,-0.6 2,-0.3 -25,-0.1 -23,-0.2 -0.165 29.6 151.7-138.7 39.7 13.4 53.7 51.1 108 108 A N B +J 83 0C 0 -25,-2.2 -25,-1.9 1,-0.1 -31,-0.3 -0.568 6.3 148.4 -74.2 136.4 13.4 53.5 54.9 109 109 A G - 0 0 11 -8,-0.5 -31,-0.2 2,-0.3 -33,-0.1 0.188 67.7 -53.8-129.1-105.5 15.8 55.6 56.7 110 110 A S S S+ 0 0 2 -36,-0.3 2,-0.2 -33,-0.1 -35,-0.1 0.532 94.6 107.1-122.9 -16.4 15.2 57.1 60.2 111 111 A Q + 0 0 4 -37,-0.2 -10,-1.7 -10,-0.1 -2,-0.3 -0.441 41.1 164.6 -72.9 140.0 11.9 59.0 59.8 112 112 A F E -FH 64 100A 0 -48,-1.8 -48,-2.1 -12,-0.3 2,-0.3 -0.864 22.6-140.2-142.8 174.7 8.9 57.5 61.5 113 113 A F E -FH 63 99A 0 -14,-2.7 -14,-2.7 -2,-0.3 2,-0.5 -0.991 7.0-143.0-147.0 146.3 5.4 58.4 62.6 114 114 A I E -FH 62 98A 2 -52,-2.2 -52,-2.0 -2,-0.3 -16,-0.2 -0.979 27.7-134.5-108.4 117.1 3.1 57.8 65.5 115 115 A C E -F 61 0A 0 -18,-2.7 -19,-3.1 -2,-0.5 -54,-0.3 -0.468 20.4-173.4 -72.2 139.9 -0.6 57.4 64.5 116 116 A T S S+ 0 0 22 -56,-2.6 2,-0.3 -21,-0.3 -55,-0.2 0.338 77.9 20.1-111.4 2.8 -3.2 59.2 66.5 117 117 A A S S- 0 0 30 -57,-0.8 -23,-0.3 -23,-0.3 2,-0.2 -0.938 100.5 -74.4-158.6 167.3 -6.0 57.4 64.5 118 118 A K - 0 0 111 -2,-0.3 -25,-0.2 -25,-0.2 3,-0.1 -0.555 43.3-177.0 -69.7 129.5 -6.5 54.3 62.3 119 119 A T > + 0 0 0 -27,-0.9 3,-2.1 -2,-0.2 -27,-0.2 -0.470 13.9 162.4-133.0 63.6 -4.9 55.0 58.9 120 120 A E G > + 0 0 90 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.642 65.3 74.4 -59.6 -19.1 -5.6 51.9 56.9 121 121 A W G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.638 93.3 56.8 -71.4 -9.3 -4.9 53.7 53.6 122 122 A L G X> S+ 0 0 0 -3,-2.1 3,-1.8 -30,-0.1 4,-1.6 0.448 78.4 120.2 -96.4 -5.9 -1.2 53.3 54.6 123 123 A D T <4 S+ 0 0 51 -3,-1.4 -32,-0.1 1,-0.3 4,-0.1 -0.384 80.7 15.2 -61.2 134.9 -1.4 49.5 54.9 124 124 A G T 34 S+ 0 0 47 2,-0.4 -1,-0.3 -34,-0.3 3,-0.1 0.488 122.0 66.0 79.3 3.3 1.0 47.8 52.6 125 125 A K T <4 S+ 0 0 127 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.589 98.8 43.5-123.2 -31.1 3.0 51.0 51.9 126 126 A H S < S- 0 0 5 -4,-1.6 2,-0.6 -38,-0.1 -2,-0.4 -0.987 82.5-121.2-124.8 132.9 4.5 51.8 55.3 127 127 A V - 0 0 0 -2,-0.4 -27,-1.9 -27,-0.2 2,-0.4 -0.606 20.5-150.7 -78.6 113.6 6.2 49.3 57.6 128 128 A V E + G 0 99A 4 -2,-0.6 -38,-0.3 -38,-0.5 -29,-0.2 -0.679 27.8 160.1 -80.1 131.6 4.6 49.1 61.0 129 129 A F E - 0 0 0 -31,-2.3 -104,-2.7 -2,-0.4 2,-0.3 0.395 52.8 -1.8-136.1 -0.2 7.2 48.2 63.7 130 130 A G E -CG 24 98A 0 -32,-1.3 -32,-2.6 -106,-0.3 2,-0.3 -0.971 52.2-134.1-169.7-174.0 5.9 49.2 67.1 131 131 A K E -CG 23 97A 90 -108,-1.9 -108,-2.6 -2,-0.3 2,-0.3 -0.990 35.8 -90.8-156.8 156.5 3.3 50.8 69.3 132 132 A V E +C 22 0A 21 -36,-2.2 -110,-0.3 -2,-0.3 3,-0.1 -0.539 35.9 179.6 -69.6 130.0 3.0 53.2 72.2 133 133 A K E + 0 0 123 -112,-3.3 2,-0.3 1,-0.4 -111,-0.2 0.714 68.4 2.8-102.7 -32.8 3.1 51.1 75.5 134 134 A E E S+C 21 0A 135 -113,-1.6 -113,-2.7 1,-0.1 -1,-0.4 -0.990 111.8 44.8-155.7 146.0 2.8 54.0 77.9 135 135 A G >> + 0 0 4 -2,-0.3 3,-1.4 -115,-0.2 4,-1.3 0.731 49.7 147.5 93.0 23.8 2.3 57.8 77.6 136 136 A M H 3> S+ 0 0 45 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.836 73.9 63.0 -59.6 -30.0 -0.4 58.0 74.9 137 137 A N H 3> S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.809 99.7 53.8 -63.6 -28.9 -1.6 61.1 76.8 138 138 A I H <> S+ 0 0 19 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.908 106.6 50.2 -71.1 -42.9 1.8 62.7 76.0 139 139 A V H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.907 110.0 52.1 -61.5 -39.3 1.3 62.0 72.2 140 140 A E H X S+ 0 0 85 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.909 108.0 50.2 -65.2 -38.5 -2.2 63.6 72.5 141 141 A A H >< S+ 0 0 34 -4,-1.8 3,-0.7 1,-0.2 4,-0.3 0.900 109.0 52.8 -65.7 -37.6 -0.7 66.7 74.1 142 142 A M H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.899 100.6 61.6 -61.4 -43.4 1.9 66.9 71.2 143 143 A E H >< S+ 0 0 20 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.799 91.0 67.8 -54.0 -30.8 -0.9 66.7 68.7 144 144 A R T << S+ 0 0 157 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.660 95.6 56.4 -65.9 -19.3 -2.3 70.0 70.1 145 145 A F T < S+ 0 0 47 -3,-2.1 8,-2.7 -4,-0.3 9,-0.5 0.337 93.7 89.4 -94.8 5.0 0.8 71.8 68.7 146 146 A G < - 0 0 16 -3,-1.8 2,-0.3 6,-0.2 -89,-0.2 -0.154 60.0-151.8 -89.1-172.6 0.2 70.7 65.2 147 147 A S > - 0 0 39 -91,-2.0 3,-1.1 5,-0.1 -2,-0.1 -0.938 35.9 -87.8-151.6 173.5 -1.7 72.2 62.3 148 148 A R T 3 S+ 0 0 226 -2,-0.3 -91,-0.0 1,-0.3 -1,-0.0 0.835 126.8 38.3 -58.1 -38.3 -3.7 71.3 59.2 149 149 A N T 3 S- 0 0 106 2,-0.1 -1,-0.3 -93,-0.0 -92,-0.1 0.425 120.7-102.9 -94.5 0.9 -0.6 71.4 57.0 150 150 A G S < S+ 0 0 2 -3,-1.1 -94,-2.4 -94,-0.4 2,-0.1 0.129 74.0 137.3 104.1 -20.8 1.8 69.9 59.5 151 151 A K - 0 0 130 -96,-0.2 -1,-0.3 -5,-0.1 2,-0.3 -0.402 49.9-133.0 -63.0 129.3 3.7 73.0 60.7 152 152 A T - 0 0 32 -98,-0.3 -6,-0.2 -2,-0.1 -1,-0.1 -0.630 3.6-144.9 -87.5 145.7 4.0 72.9 64.5 153 153 A S S S+ 0 0 91 -8,-2.7 2,-0.3 -2,-0.3 -1,-0.1 0.669 86.4 21.6 -79.7 -22.3 3.2 76.0 66.6 154 154 A K S S- 0 0 102 -9,-0.5 2,-0.6 2,-0.0 -1,-0.0 -0.917 97.2 -89.0-139.4 162.6 6.0 75.3 69.1 155 155 A K - 0 0 102 -2,-0.3 -142,-2.9 -103,-0.1 2,-0.7 -0.681 37.8-167.1 -79.8 116.1 9.2 73.3 69.0 156 156 A I E +B 12 0A 1 -2,-0.6 -103,-2.3 -103,-0.4 2,-0.3 -0.912 18.1 173.6-106.4 114.9 8.6 69.7 70.0 157 157 A T E -BD 11 52A 30 -146,-2.3 -146,-2.4 -2,-0.7 2,-1.2 -0.810 43.1-116.1-124.2 161.4 11.8 67.9 70.6 158 158 A I E -B 10 0A 0 -107,-2.6 -108,-3.0 -110,-0.3 -148,-0.2 -0.803 33.0-177.4 -91.8 90.0 13.1 64.5 71.9 159 159 A A E - 0 0 53 -150,-1.7 2,-0.3 -2,-1.2 -1,-0.2 0.862 68.7 -6.5 -58.3 -38.5 15.0 65.9 75.0 160 160 A D E +B 9 0A 61 -151,-1.2 -151,-3.2 -3,-0.1 2,-0.3 -0.972 66.7 174.7-155.4 156.5 16.2 62.4 75.8 161 161 A C E +B 8 0A 13 -2,-0.3 2,-0.3 -153,-0.2 -153,-0.2 -0.972 13.1 131.9-160.9 157.1 15.8 58.9 74.6 162 162 A G E -B 7 0A 10 -155,-1.6 -155,-2.5 -2,-0.3 2,-0.4 -0.967 51.9 -62.5 178.1-168.0 17.1 55.4 75.3 163 163 A Q E +B 6 0A 70 -2,-0.3 -157,-0.3 -157,-0.2 -2,-0.0 -0.844 28.9 177.7-108.2 137.4 16.3 51.8 75.9 164 164 A L 0 0 96 -159,-2.8 -158,-0.2 1,-0.4 -1,-0.1 0.751 360.0 360.0-100.9 -40.7 14.4 50.6 79.0 165 165 A E 0 0 113 -160,-1.5 -160,-2.7 -162,-0.0 -1,-0.4 -0.964 360.0 360.0-142.6 360.0 14.1 46.9 78.2 166 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 167 2 C X 0 0 117 0, 0.0 2,-0.3 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 82.8 -2.8 62.4 54.3 168 3 C L - 0 0 28 7,-0.2 2,-0.4 2,-0.0 -67,-0.0 -0.803 360.0-145.0-112.9 163.2 0.6 60.9 53.5 169 4 C X + 0 0 0 -2,-0.3 -67,-1.4 -69,-0.1 2,-0.2 -0.735 40.1 155.0-125.4 69.7 3.8 60.5 55.4 170 5 C X B -k 102 0D 63 -2,-0.4 2,-0.5 -69,-0.2 -67,-0.2 -0.529 41.9-130.2 -95.1 170.4 6.7 60.9 52.9 171 6 C T S S- 0 0 29 -69,-1.3 2,-0.3 -2,-0.2 -98,-0.1 -0.850 85.0 -6.5-119.4 87.5 10.3 62.0 53.3 172 7 C X S S+ 0 0 36 -2,-0.5 2,-0.8 -101,-0.1 -99,-0.1 -0.669 121.8 49.9 134.9 -82.6 11.2 64.7 50.8 173 8 C X S S- 0 0 127 -2,-0.3 2,-0.2 -101,-0.1 -2,-0.1 -0.863 73.9-148.0 -99.3 106.0 8.4 65.5 48.3 174 9 C L - 0 0 83 -2,-0.8 2,-0.1 -4,-0.1 -5,-0.0 -0.549 19.7-169.6 -73.6 130.6 5.0 66.0 50.0 175 10 C X 0 0 131 -2,-0.2 -7,-0.2 1,-0.0 -1,-0.1 -0.142 360.0 360.0-105.2-165.2 2.0 64.9 48.0 176 11 C A 0 0 102 -2,-0.1 -1,-0.0 -9,-0.1 0, 0.0 -0.892 360.0 360.0 -89.0 360.0 -1.8 65.3 48.2