==== 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 26-MAY-98 1CWL . 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 . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 65.9 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 . 51 29.0 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 . 2 1.1 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 . 14 8.0 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 2 3 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 0 181 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 150.4 13.9 9.9 38.9 2 2 A V - 0 0 92 163,-0.1 3,-0.0 3,-0.0 24,-0.0 -0.899 360.0-101.9-126.5 153.6 11.5 12.7 39.9 3 3 A N - 0 0 26 -2,-0.3 22,-0.1 1,-0.1 2,-0.1 -0.617 48.3-107.3 -71.1 138.5 10.5 15.6 37.6 4 4 A P - 0 0 16 0, 0.0 20,-2.7 0, 0.0 2,-0.4 -0.380 26.2-153.3 -68.1 147.7 12.5 18.7 38.5 5 5 A T E +A 23 0A 4 18,-0.2 159,-2.6 -2,-0.1 160,-1.5 -0.990 16.9 178.6-116.4 131.3 10.9 21.6 40.3 6 6 A V E -AB 22 163A 0 16,-1.8 16,-2.8 -2,-0.4 2,-0.3 -0.845 11.4-148.4-126.3 162.2 12.4 25.1 39.8 7 7 A F E -AB 21 162A 22 155,-2.4 155,-1.6 -2,-0.3 2,-0.4 -0.939 8.0-157.3-132.2 157.4 11.2 28.4 41.2 8 8 A F E -AB 20 161A 0 12,-2.5 12,-2.6 -2,-0.3 2,-0.6 -0.996 10.3-150.3-127.9 135.8 11.2 32.0 40.2 9 9 A D E -AB 19 160A 33 151,-3.1 150,-2.0 -2,-0.4 151,-1.2 -0.945 24.4-152.2-101.6 122.5 11.0 34.9 42.7 10 10 A I E -AB 18 158A 3 8,-2.9 7,-3.3 -2,-0.6 8,-1.1 -0.783 12.5-169.4 -99.5 142.4 9.2 37.7 40.9 11 11 A A E -AB 16 157A 4 146,-2.3 146,-2.2 -2,-0.3 2,-0.5 -0.929 14.8-146.7-127.5 152.8 9.7 41.4 41.6 12 12 A V E > S-AB 15 156A 15 3,-2.9 3,-2.5 -2,-0.3 144,-0.2 -0.979 87.3 -22.5-122.8 114.4 7.7 44.4 40.4 13 13 A D T 3 S- 0 0 93 142,-3.0 -1,-0.2 -2,-0.5 143,-0.1 0.913 130.0 -49.8 41.5 49.7 9.9 47.5 39.9 14 14 A G T 3 S+ 0 0 60 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.248 113.5 121.2 80.7 -12.6 12.4 45.9 42.4 15 15 A E E < S-A 12 0A 139 -3,-2.5 -3,-2.9 1,-0.1 -1,-0.2 -0.734 70.2-116.1 -84.1 124.1 9.7 45.2 45.0 16 16 A P E +A 11 0A 109 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.360 34.7 177.2 -57.8 127.6 9.5 41.4 45.8 17 17 A L E - 0 0 61 -7,-3.3 2,-0.3 1,-0.3 -6,-0.2 0.827 46.6 -85.9 -95.9 -57.5 6.1 40.0 44.8 18 18 A G E -A 10 0A 25 -8,-1.1 -8,-2.9 120,-0.0 2,-0.4 -0.979 42.1 -67.4 168.4-173.6 6.5 36.2 45.6 19 19 A R E -A 9 0A 124 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.879 28.8-168.8-112.3 136.9 7.6 32.8 44.4 20 20 A V E -A 8 0A 2 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.4 -0.970 11.5-161.5-117.9 131.2 6.2 30.7 41.7 21 21 A S E -AC 7 134A 1 113,-2.5 112,-2.9 -2,-0.4 113,-1.1 -0.882 3.4-159.1-116.8 153.0 7.4 27.1 41.4 22 22 A F E -AC 6 132A 0 -16,-2.8 -16,-1.8 -2,-0.4 2,-0.5 -0.963 14.8-141.8-129.3 143.2 7.1 24.9 38.4 23 23 A E E -AC 5 131A 47 108,-2.9 108,-2.1 -2,-0.4 2,-0.5 -0.894 22.9-149.2 -97.8 131.9 7.1 21.2 37.8 24 24 A L E - C 0 130A 0 -20,-2.7 2,-2.3 -2,-0.5 3,-0.3 -0.897 13.0-131.9-106.8 131.6 9.0 20.4 34.5 25 25 A F >> + 0 0 29 104,-2.7 4,-2.9 -2,-0.5 3,-1.6 -0.352 43.3 156.1 -84.5 68.6 7.8 17.3 32.6 26 26 A A T 34 S+ 0 0 16 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.785 70.1 63.6 -67.0 -22.8 11.3 15.8 32.1 27 27 A D T 34 S+ 0 0 87 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.769 116.4 27.6 -70.8 -24.3 9.6 12.4 31.7 28 28 A K T <4 S+ 0 0 85 -3,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.738 138.9 19.8-106.4 -35.6 7.7 13.6 28.6 29 29 A V X + 0 0 0 -4,-2.9 4,-2.7 100,-0.2 5,-0.3 -0.530 69.8 168.9-136.4 69.7 10.0 16.3 27.1 30 30 A P H > S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.847 75.9 46.5 -55.4 -44.6 13.4 15.6 28.6 31 31 A K H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.906 115.2 44.4 -69.3 -40.1 15.4 18.0 26.4 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 114.8 49.5 -71.4 -40.8 13.0 20.9 26.7 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -8,-0.2 -2,-0.2 0.951 110.2 51.6 -62.1 -44.8 12.7 20.5 30.5 34 34 A E H X S+ 0 0 66 -4,-2.4 4,-3.0 -5,-0.3 5,-0.3 0.902 106.6 53.7 -59.6 -44.1 16.5 20.3 30.8 35 35 A N H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.942 113.0 42.3 -54.7 -50.1 16.9 23.5 28.9 36 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.899 114.4 51.6 -66.4 -40.5 14.6 25.4 31.2 37 37 A R H X S+ 0 0 28 -4,-2.8 4,-1.8 2,-0.2 3,-0.3 0.957 112.0 45.2 -61.7 -48.0 16.0 23.7 34.3 38 38 A A H X>S+ 0 0 1 -4,-3.0 4,-1.3 1,-0.2 5,-0.7 0.877 112.1 51.8 -69.0 -34.0 19.6 24.7 33.4 39 39 A L H <5S+ 0 0 1 -4,-2.2 9,-2.1 -5,-0.3 10,-0.4 0.823 108.1 53.9 -70.8 -24.7 18.6 28.2 32.5 40 40 A S H <5S+ 0 0 2 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.850 112.8 40.7 -78.5 -33.5 16.9 28.6 35.9 41 41 A T H <5S- 0 0 50 -4,-1.8 -1,-0.2 121,-0.2 -2,-0.2 0.670 99.1-137.0 -83.3 -18.6 20.0 27.5 37.9 42 42 A G T ><5 + 0 0 30 -4,-1.3 3,-2.2 -5,-0.2 -3,-0.2 0.604 54.2 145.4 75.2 15.1 22.3 29.6 35.6 43 43 A E T 3 < + 0 0 100 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.678 63.3 56.3 -66.1 -16.2 24.8 26.6 35.6 44 44 A K T 3 S- 0 0 110 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.378 126.2 -97.0 -90.8 2.4 26.0 27.2 32.0 45 45 A G S < S+ 0 0 72 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.587 101.4 57.8 94.5 10.1 27.0 30.7 32.9 46 46 A F + 0 0 56 -4,-0.1 -2,-0.5 32,-0.0 2,-0.3 -0.968 59.9 114.8-159.7 160.6 23.8 32.5 31.6 47 47 A G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.996 67.5 -43.0 166.7-159.3 20.1 32.2 32.3 48 48 A Y S > S+ 0 0 0 -9,-2.1 3,-2.6 -2,-0.3 110,-0.3 0.687 80.4 114.3 -79.3 -25.0 16.9 33.7 33.6 49 49 A K T 3 S+ 0 0 130 -10,-0.4 -2,-0.2 1,-0.3 110,-0.2 -0.291 90.1 11.5 -56.2 126.7 18.0 35.5 36.8 50 50 A G T 3 S+ 0 0 54 108,-3.3 -1,-0.3 1,-0.3 109,-0.1 0.292 102.0 119.4 89.3 -4.0 17.6 39.2 36.4 51 51 A S < - 0 0 2 -3,-2.6 107,-2.9 107,-0.2 -1,-0.3 -0.336 52.7-128.0 -90.9 178.0 15.6 39.0 33.2 52 52 A C B -D 157 0A 6 14,-0.3 2,-0.9 105,-0.2 13,-0.7 -0.728 16.2-113.0-126.7 165.2 12.1 40.2 32.7 53 53 A F E -E 64 0A 2 103,-2.2 103,-0.4 -2,-0.2 11,-0.3 -0.879 37.4-178.2 -90.9 106.7 8.6 39.3 31.5 54 54 A H E + 0 0 33 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.587 62.5 35.7 -90.3 -10.2 8.5 41.6 28.5 55 55 A R E +E 63 0A 19 8,-1.5 8,-3.1 96,-0.1 2,-0.4 -0.943 59.4 169.0-149.0 117.8 5.0 40.8 27.2 56 56 A I E -E 62 0A 0 94,-2.1 91,-1.9 -2,-0.4 94,-0.3 -0.994 8.4-174.5-132.6 125.2 2.0 40.1 29.4 57 57 A I E >> -E 61 0A 12 4,-2.6 3,-2.0 -2,-0.4 4,-1.2 -0.976 30.2-122.6-122.1 111.8 -1.5 40.0 27.9 58 58 A P T 34 S+ 0 0 62 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.251 96.5 17.9 -53.2 138.6 -4.3 39.6 30.6 59 59 A G T 34 S+ 0 0 51 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.385 128.3 54.2 77.2 -4.9 -6.5 36.5 30.0 60 60 A F T <4 S- 0 0 3 -3,-2.0 56,-2.8 1,-0.2 57,-0.8 0.615 104.7 -58.8-122.8 -73.7 -3.9 35.0 27.7 61 61 A M E < -EF 57 115A 0 -4,-1.2 -4,-2.6 54,-0.3 2,-0.4 -0.980 27.8-115.1-168.6 170.2 -0.3 34.6 29.1 62 62 A C E -EF 56 114A 0 52,-1.7 52,-2.4 -2,-0.3 2,-0.4 -0.992 33.5-160.0-118.8 127.2 2.9 36.1 30.5 63 63 A Q E +EF 55 113A 0 -8,-3.1 -8,-1.5 -2,-0.4 -9,-0.6 -0.921 25.7 133.6-115.5 134.3 6.0 35.8 28.2 64 64 A G E +EF 53 112A 0 48,-2.1 48,-2.0 -2,-0.4 -11,-0.2 -0.748 19.4 106.2-151.2-162.7 9.6 36.0 29.3 65 65 A G + 0 0 0 -13,-0.7 2,-1.7 46,-0.2 11,-0.3 0.435 42.7 128.1 99.0 0.2 13.0 34.4 28.9 66 66 A D > + 0 0 0 -14,-0.5 4,-0.9 1,-0.2 -14,-0.3 -0.612 23.7 163.0 -88.1 87.0 14.7 36.8 26.6 67 67 A F T 4 + 0 0 29 -2,-1.7 -1,-0.2 2,-0.1 -20,-0.1 0.572 68.2 46.4 -83.9 -7.1 17.8 37.3 28.8 68 68 A T T 4 S+ 0 0 56 -3,-0.2 -1,-0.1 -17,-0.0 -2,-0.1 0.866 129.9 13.2 -97.3 -48.8 20.0 38.8 26.0 69 69 A R T 4 S- 0 0 139 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.629 82.1-146.9-103.3 -15.4 17.8 41.5 24.3 70 70 A H S < S+ 0 0 88 -4,-0.9 -3,-0.1 1,-0.1 -4,-0.0 0.714 78.6 80.5 57.6 23.5 15.0 41.7 26.9 71 71 A N S S- 0 0 85 -7,-0.0 102,-0.1 -16,-0.0 -1,-0.1 0.369 112.3 -85.7-141.3 9.9 12.5 42.4 24.2 72 72 A G S S+ 0 0 0 100,-0.1 102,-0.1 -6,-0.1 39,-0.1 0.165 110.3 86.8 102.3 -17.8 11.4 39.3 22.4 73 73 A T S S+ 0 0 83 100,-0.1 2,-0.1 -7,-0.1 99,-0.1 0.587 86.2 38.6 -95.4 -3.1 14.2 39.2 19.9 74 74 A G + 0 0 16 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.279 52.5 105.4-125.6-149.1 16.9 37.3 21.8 75 75 A G - 0 0 9 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.116 41.3-145.8 88.0 162.5 17.7 34.5 24.2 76 76 A K - 0 0 82 -11,-0.3 5,-0.2 33,-0.1 6,-0.2 -0.984 12.8-112.6-157.8 158.9 19.3 31.1 23.4 77 77 A S B > -I 80 0B 1 3,-0.9 3,-0.9 4,-0.8 33,-0.1 -0.317 32.2-108.8 -84.7 175.9 19.1 27.6 24.6 78 78 A I T 3 S+ 0 0 32 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.446 116.3 61.8 -80.4 -2.1 21.8 25.6 26.4 79 79 A Y T 3 S- 0 0 89 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.375 127.8 -70.0-105.4 4.7 22.2 23.6 23.2 80 80 A G B < S-I 77 0B 41 -3,-0.9 -3,-0.9 1,-0.2 -1,-0.5 -0.917 83.1 -45.0 127.0-163.9 23.3 26.4 20.9 81 81 A E S S+ 0 0 132 -2,-0.3 -4,-0.8 -5,-0.2 2,-0.3 0.947 120.5 6.0 -72.3 -40.7 20.9 29.2 19.7 82 82 A K - 0 0 119 -6,-0.2 2,-0.3 -3,-0.2 27,-0.2 -0.928 62.4-166.1-139.4 151.4 17.8 27.2 18.8 83 83 A F B -J 108 0C 7 25,-1.9 25,-2.1 -2,-0.3 3,-0.1 -0.931 30.2 -84.1-138.9 166.9 16.7 23.5 19.0 84 84 A E - 0 0 88 -2,-0.3 2,-0.7 23,-0.2 3,-0.1 -0.110 44.5 -95.2 -63.6 158.7 13.9 21.4 17.6 85 85 A D - 0 0 26 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.726 37.4-156.5 -76.4 116.3 10.4 20.9 18.7 86 86 A E - 0 0 49 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.914 56.8 -49.1 -67.1 -48.9 10.8 17.8 20.8 87 87 A N - 0 0 40 -3,-0.1 -1,-0.3 -58,-0.1 41,-0.1 -0.942 36.7-130.1-171.9 173.0 7.2 16.5 20.6 88 88 A F + 0 0 67 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.183 59.9 128.7-129.2 40.9 3.6 17.9 21.0 89 89 A I + 0 0 102 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.896 63.5 61.6 -60.0 -41.7 2.3 15.2 23.4 90 90 A L S S- 0 0 38 38,-0.3 38,-0.5 -3,-0.1 34,-0.3 -0.647 74.5-147.3 -96.5 148.0 1.0 17.8 25.9 91 91 A K - 0 0 73 -2,-0.3 2,-1.6 32,-0.1 3,-0.2 -0.665 27.5-105.6-115.1 169.8 -1.6 20.5 25.3 92 92 A H + 0 0 1 -2,-0.2 27,-0.8 27,-0.2 31,-0.1 -0.679 56.2 157.5 -94.5 81.0 -2.4 24.0 26.4 93 93 A T - 0 0 97 -2,-1.6 25,-0.3 25,-0.2 -1,-0.2 0.620 52.9 -39.2 -89.8 -15.5 -5.3 22.8 28.6 94 94 A G S > S- 0 0 12 23,-0.3 3,-1.2 -3,-0.2 23,-0.4 -0.979 86.7 -27.5 177.5-174.3 -5.8 25.6 31.1 95 95 A P T 3 S+ 0 0 88 0, 0.0 21,-0.3 0, 0.0 -2,-0.1 -0.249 114.1 36.1 -52.9 144.0 -4.1 28.2 33.5 96 96 A G T 3 S+ 0 0 5 19,-3.2 36,-2.0 1,-0.3 2,-0.1 0.250 75.6 139.3 96.4 -16.1 -0.7 27.3 34.7 97 97 A I E < -G 131 0A 17 -3,-1.2 18,-2.8 34,-0.2 2,-0.5 -0.424 41.7-147.7 -67.9 138.8 0.8 25.5 31.6 98 98 A L E +GH 130 114A 0 32,-2.7 31,-2.3 16,-0.2 32,-1.5 -0.929 28.0 166.7-106.0 127.9 4.4 26.4 30.8 99 99 A S E -GH 128 113A 0 14,-2.5 14,-2.5 -2,-0.5 2,-0.4 -0.945 35.6 -99.5-144.2 158.8 5.2 26.3 27.1 100 100 A M E - H 0 112A 0 27,-2.1 12,-0.3 -2,-0.3 27,-0.2 -0.652 24.7-145.2 -85.7 127.5 7.9 27.4 24.6 101 101 A A + 0 0 1 10,-1.6 8,-0.5 -2,-0.4 2,-0.3 -0.537 32.8 164.5 -75.4 154.9 7.6 30.6 22.6 102 102 A N B -k 171 0D 5 68,-1.5 70,-1.3 -2,-0.2 6,-0.1 -0.901 48.5-120.0-155.9-174.2 9.2 30.3 19.1 103 103 A A S S- 0 0 37 1,-0.6 68,-0.1 -2,-0.3 5,-0.1 -0.156 83.8 -55.0-127.5 36.8 9.4 31.9 15.6 104 104 A G S > S- 0 0 22 21,-0.2 3,-0.7 3,-0.0 -1,-0.6 -0.634 99.7 -6.8 121.0-173.9 8.0 28.9 13.7 105 105 A P T 3 S- 0 0 107 0, 0.0 -21,-0.0 0, 0.0 21,-0.0 -0.227 127.1 -0.4 -56.9 130.5 8.9 25.1 13.5 106 106 A N T 3 S+ 0 0 93 1,-0.1 -22,-0.1 -4,-0.0 -24,-0.1 0.894 92.6 118.7 60.9 46.3 12.2 24.1 15.3 107 107 A T < + 0 0 30 -3,-0.7 2,-0.2 -25,-0.1 -23,-0.2 -0.065 30.3 151.0-130.9 35.4 13.2 27.5 16.7 108 108 A N B +J 83 0C 0 -25,-2.1 -25,-1.9 1,-0.1 -31,-0.3 -0.516 7.9 151.4 -71.5 130.0 13.1 27.0 20.4 109 109 A G - 0 0 10 -8,-0.5 -31,-0.2 2,-0.3 -33,-0.1 0.268 66.4 -60.1-120.8-110.7 15.5 29.2 22.4 110 110 A S S S+ 0 0 1 -36,-0.3 2,-0.2 -33,-0.1 -35,-0.1 0.456 94.9 108.4-118.1 -15.0 15.0 30.4 25.9 111 111 A Q + 0 0 4 -37,-0.2 -10,-1.6 -10,-0.1 -2,-0.3 -0.477 40.5 162.2 -76.9 145.8 11.7 32.3 25.7 112 112 A F E -FH 64 100A 0 -48,-2.0 -48,-2.1 -12,-0.3 2,-0.3 -0.873 23.9-140.2-148.1 170.3 8.6 30.7 27.2 113 113 A F E -FH 63 99A 0 -14,-2.5 -14,-2.5 -2,-0.3 2,-0.6 -0.984 8.4-140.0-142.8 153.3 5.2 31.7 28.4 114 114 A I E -FH 62 98A 2 -52,-2.4 -52,-1.7 -2,-0.3 -16,-0.2 -0.971 28.2-135.2-110.0 115.5 2.9 30.8 31.3 115 115 A C E -F 61 0A 0 -18,-2.8 -19,-3.2 -2,-0.6 -54,-0.3 -0.516 20.5-173.8 -70.1 137.4 -0.7 30.4 30.2 116 116 A T S S+ 0 0 17 -56,-2.8 2,-0.3 -21,-0.3 -55,-0.2 0.327 76.7 23.5-110.1 7.3 -3.4 32.1 32.3 117 117 A A S S- 0 0 30 -57,-0.8 -23,-0.3 -23,-0.4 2,-0.3 -0.944 101.3 -77.1-155.8 166.4 -6.2 30.4 30.2 118 118 A K - 0 0 113 -2,-0.3 -25,-0.2 -25,-0.3 2,-0.2 -0.614 44.0-175.2 -66.6 128.5 -6.7 27.4 27.9 119 119 A T > + 0 0 0 -27,-0.8 3,-2.1 -2,-0.3 4,-0.3 -0.558 13.4 164.7-129.5 65.2 -5.0 28.4 24.6 120 120 A E G > + 0 0 85 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.750 64.8 73.3 -64.9 -17.8 -5.9 25.4 22.4 121 121 A W G 3 S+ 0 0 91 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.663 93.2 57.1 -67.9 -15.1 -5.0 27.3 19.1 122 122 A L G X> S+ 0 0 0 -3,-2.1 3,-2.1 -30,-0.1 4,-1.4 0.512 78.7 121.1 -92.0 -5.2 -1.3 26.9 20.1 123 123 A D T <4 S+ 0 0 51 -3,-1.5 -32,-0.1 -4,-0.3 4,-0.1 -0.356 80.5 14.1 -62.5 133.5 -1.5 23.1 20.3 124 124 A G T 34 S+ 0 0 34 2,-0.4 -1,-0.3 -34,-0.3 3,-0.1 0.429 122.1 66.5 83.0 -2.6 0.9 21.4 18.0 125 125 A K T <4 S+ 0 0 125 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.580 99.5 43.0-118.2 -23.1 2.8 24.6 17.4 126 126 A H S < S- 0 0 5 -4,-1.4 2,-0.6 -38,-0.1 -2,-0.4 -0.996 83.7-122.4-130.5 132.3 4.4 25.3 20.9 127 127 A V - 0 0 0 -2,-0.4 -27,-2.1 -27,-0.2 2,-0.4 -0.673 20.4-148.5 -80.6 113.3 5.9 22.6 23.0 128 128 A V E + G 0 99A 2 -2,-0.6 -38,-0.3 -38,-0.5 -29,-0.3 -0.703 29.8 159.2 -78.1 131.4 4.3 22.3 26.5 129 129 A F E + 0 0 0 -31,-2.3 -104,-2.7 -2,-0.4 2,-0.3 0.402 51.5 4.3-139.1 3.0 6.8 21.2 29.0 130 130 A G E -CG 24 98A 0 -32,-1.5 -32,-2.7 -106,-0.3 2,-0.3 -0.969 52.1-137.6-167.9 179.7 5.7 22.2 32.6 131 131 A K E -CG 23 97A 88 -108,-2.1 -108,-2.9 -2,-0.3 2,-0.3 -0.983 34.9 -93.6-150.6 157.8 3.1 23.6 34.8 132 132 A V E +C 22 0A 18 -36,-2.0 -110,-0.3 -2,-0.3 3,-0.1 -0.504 36.8 179.2 -66.8 127.5 2.9 26.0 37.8 133 133 A K E + 0 0 89 -112,-2.9 2,-0.3 1,-0.4 -111,-0.2 0.818 67.2 5.2-100.4 -42.7 3.0 23.9 41.0 134 134 A E E S+C 21 0A 104 -113,-1.1 -113,-2.5 1,-0.1 -1,-0.4 -0.968 114.7 42.3-142.0 146.4 2.7 26.6 43.7 135 135 A G >> + 0 0 17 -2,-0.3 3,-1.7 -115,-0.2 4,-1.3 0.646 51.0 145.5 92.7 19.4 2.2 30.3 43.4 136 136 A M H 3> S+ 0 0 44 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.847 74.2 63.9 -55.5 -28.5 -0.5 30.6 40.7 137 137 A N H 3> S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.830 97.8 53.7 -67.7 -29.4 -1.7 33.6 42.7 138 138 A I H <> S+ 0 0 17 -3,-1.7 4,-2.0 -119,-0.2 -1,-0.2 0.905 106.8 51.8 -70.0 -36.6 1.6 35.4 41.9 139 139 A V H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.941 109.2 50.5 -62.9 -41.8 1.0 34.8 38.2 140 140 A E H X S+ 0 0 89 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.927 108.9 51.2 -59.9 -42.4 -2.5 36.4 38.5 141 141 A A H >< S+ 0 0 19 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.864 107.0 54.8 -62.4 -38.1 -1.0 39.4 40.3 142 142 A M H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.889 98.6 63.0 -60.6 -41.7 1.6 39.7 37.4 143 143 A E H >< S+ 0 0 31 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.793 88.2 70.1 -54.7 -32.1 -1.3 39.8 34.8 144 144 A R T << S+ 0 0 180 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.696 95.4 54.2 -64.4 -15.6 -2.6 43.0 36.3 145 145 A F T < S+ 0 0 47 -3,-2.1 8,-2.3 -4,-0.2 9,-0.4 0.366 96.1 86.7 -98.3 5.0 0.5 44.9 35.0 146 146 A G < - 0 0 16 -3,-2.0 2,-0.3 6,-0.2 -89,-0.2 -0.314 60.5-152.6 -92.3-176.6 -0.0 43.7 31.4 147 147 A S > - 0 0 40 -91,-1.9 3,-1.9 -2,-0.1 -91,-0.1 -0.941 36.0 -92.8-149.0 170.4 -2.2 45.2 28.6 148 148 A R T 3 S+ 0 0 231 1,-0.3 -1,-0.1 -2,-0.3 -91,-0.0 0.882 127.6 45.1 -55.9 -40.8 -4.0 44.1 25.4 149 149 A N T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.0 -92,-0.1 0.447 118.7-110.9 -86.4 2.7 -0.9 44.9 23.4 150 150 A G S < S+ 0 0 3 -3,-1.9 -94,-2.1 -94,-0.3 -87,-0.1 0.176 71.0 133.4 97.9 -22.0 1.5 43.2 25.8 151 151 A K - 0 0 154 -96,-0.2 2,-0.3 -5,-0.1 -1,-0.3 -0.377 50.3-134.9 -67.0 140.6 3.4 46.2 27.2 152 152 A T - 0 0 40 -98,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.771 5.9-146.7 -94.9 145.1 3.7 46.1 31.0 153 153 A S S S+ 0 0 90 -8,-2.3 2,-0.3 -2,-0.3 -7,-0.1 0.581 89.5 32.4 -82.3 -15.6 3.0 49.2 33.2 154 154 A K S S- 0 0 86 -9,-0.4 2,-0.5 2,-0.0 -9,-0.0 -0.934 96.4-100.8-134.8 159.2 5.7 48.1 35.7 155 155 A K - 0 0 93 -2,-0.3 -142,-3.0 -103,-0.0 2,-0.6 -0.748 35.7-160.6 -86.2 119.4 9.0 46.2 35.1 156 156 A I E +B 12 0A 0 -2,-0.5 -103,-2.2 -103,-0.4 2,-0.3 -0.924 17.8 179.6-106.6 117.0 8.4 42.6 36.1 157 157 A T E -BD 11 52A 27 -146,-2.2 -146,-2.3 -2,-0.6 2,-1.1 -0.838 40.2-121.6-123.9 158.8 11.7 40.7 36.8 158 158 A I E -B 10 0A 0 -107,-2.9 -108,-3.3 -2,-0.3 -148,-0.2 -0.828 32.7-176.8 -91.1 95.5 12.9 37.3 37.8 159 159 A A E - 0 0 51 -150,-2.0 2,-0.3 -2,-1.1 -1,-0.2 0.888 67.1 -10.7 -65.7 -34.8 14.8 38.5 40.9 160 160 A D E +B 9 0A 65 -151,-1.2 -151,-3.1 -3,-0.2 2,-0.3 -0.968 65.7 174.9-158.5 161.9 16.1 35.0 41.7 161 161 A C E +B 8 0A 11 -2,-0.3 2,-0.3 -153,-0.3 -153,-0.2 -0.962 11.8 139.7-165.4 160.9 15.5 31.5 40.4 162 162 A G E -B 7 0A 10 -155,-1.6 -155,-2.4 -2,-0.3 2,-0.4 -0.977 50.2 -67.1 174.3-173.6 16.9 28.0 41.0 163 163 A Q E -B 6 0A 74 -2,-0.3 -157,-0.3 -157,-0.2 -2,-0.0 -0.875 28.8-179.7-106.4 134.9 16.1 24.4 41.4 164 164 A L 0 0 85 -159,-2.6 -158,-0.2 -2,-0.4 -1,-0.2 0.839 360.0 360.0 -94.8 -41.7 14.2 23.1 44.5 165 165 A E 0 0 128 -160,-1.5 -163,-0.1 -162,-0.0 -159,-0.1 0.382 360.0 360.0-152.1 360.0 14.1 19.4 43.6 166 !* 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 1 C X 0 0 75 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.8 -4.2 38.0 17.3 168 2 C X + 0 0 86 9,-0.3 2,-0.2 -108,-0.0 9,-0.1 -0.578 360.0 138.8-123.8 71.3 -3.0 36.0 20.2 169 3 C X - 0 0 38 7,-0.4 2,-0.3 -2,-0.3 -68,-0.0 -0.625 45.8-140.4-105.2 171.6 0.3 34.4 19.3 170 4 C X + 0 0 0 -2,-0.2 -68,-1.5 -70,-0.1 2,-0.2 -0.673 41.4 155.6-124.0 78.7 3.5 33.9 21.3 171 5 C X B -k 102 0D 60 -2,-0.3 2,-0.5 -70,-0.2 -68,-0.2 -0.540 41.1-131.8-102.7 173.2 6.4 34.5 18.9 172 6 C X S S- 0 0 28 -70,-1.3 -100,-0.1 -2,-0.2 -99,-0.1 -0.773 86.7 -2.1-119.4 85.1 10.0 35.6 19.3 173 7 C X S S+ 0 0 33 -2,-0.5 2,-0.7 -102,-0.1 -100,-0.1 -0.417 127.0 45.2 132.6 -65.4 10.9 38.5 16.9 174 8 C X S S- 0 0 139 -102,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.878 74.7-158.2-111.7 101.1 7.9 39.4 14.7 175 9 C V - 0 0 70 -2,-0.7 2,-0.1 -4,-0.1 -72,-0.0 -0.611 12.2-152.5 -77.1 128.6 4.9 39.5 16.9 176 10 C X 0 0 90 -2,-0.3 -7,-0.4 1,-0.1 -5,-0.1 -0.452 360.0 360.0 -99.5 171.3 1.7 39.0 14.9 177 11 C A 0 0 93 -2,-0.1 -9,-0.3 -9,-0.1 -1,-0.1 -0.340 360.0 360.0 -68.1 360.0 -1.8 40.3 15.6