==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-SEP-09 3K0R . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.FRASER,T.ALBER . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 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 1.2 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-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 . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 12.2 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 . 2 0 4 1 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 2 A V 0 0 189 0, 0.0 24,-0.0 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 -14.3 38.9 -9.8 -4.8 2 3 A N - 0 0 26 1,-0.1 22,-0.1 22,-0.0 2,-0.1 -0.239 360.0-114.0 -49.7 134.3 36.0 -12.1 -3.5 3 4 A P - 0 0 14 0, 0.0 20,-2.4 0, 0.0 2,-0.4 -0.375 22.7-151.7 -72.8 161.5 33.4 -10.0 -1.8 4 5 A T E +A 22 0A 5 18,-0.2 159,-3.0 -2,-0.1 160,-1.7 -0.999 15.8 180.0-128.2 125.4 32.6 -10.1 1.8 5 6 A V E -AB 21 162A 0 16,-2.2 16,-2.9 -2,-0.4 2,-0.3 -0.852 10.1-149.7-124.1 167.2 29.2 -9.2 3.1 6 7 A F E -AB 20 161A 15 155,-2.2 155,-1.2 -2,-0.3 2,-0.4 -0.954 7.3-153.1-135.7 150.9 27.7 -9.1 6.7 7 8 A F E -AB 19 160A 1 12,-2.8 12,-2.5 -2,-0.3 2,-1.0 -0.994 13.6-146.0-118.4 126.3 24.4 -9.5 8.4 8 9 A D E -AB 18 159A 41 151,-2.8 150,-2.5 -2,-0.4 151,-1.1 -0.822 29.6-152.3 -84.8 106.6 23.7 -7.8 11.7 9 10 A I E -AB 17 157A 3 8,-2.5 7,-3.4 -2,-1.0 8,-1.2 -0.670 16.6-175.9 -85.4 136.5 21.5 -10.5 13.2 10 11 A A E -AB 15 156A 3 146,-2.6 146,-3.2 -2,-0.3 2,-0.4 -0.975 17.5-147.6-131.9 147.2 18.8 -9.6 15.8 11 12 A V E > S-AB 14 155A 13 3,-1.4 3,-2.8 -2,-0.3 144,-0.2 -0.976 87.9 -19.2-115.4 123.2 16.4 -11.8 17.9 12 13 A D T 3 S- 0 0 93 142,-2.4 -1,-0.2 -2,-0.4 143,-0.1 0.952 133.5 -51.3 32.1 54.1 13.0 -10.2 18.6 13 14 A G T 3 S+ 0 0 60 141,-0.5 -1,-0.3 -3,-0.2 142,-0.1 0.246 112.8 122.1 83.0 -13.4 14.9 -7.0 17.8 14 15 A E E < -A 11 0A 148 -3,-2.8 -3,-1.4 1,-0.1 -1,-0.1 -0.749 68.3-113.0 -95.5 108.8 17.9 -7.5 20.1 15 16 A P E +A 10 0A 118 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 0.091 33.2 177.8 -39.1 127.9 21.3 -7.6 18.4 16 17 A L E - 0 0 67 -7,-3.4 2,-0.3 1,-0.4 -6,-0.2 0.768 53.6 -75.1-103.2 -36.6 23.0 -10.9 18.5 17 18 A G E -A 9 0A 25 -8,-1.2 -8,-2.5 2,-0.0 2,-0.5 -0.912 46.4 -78.2 156.1 172.4 26.1 -10.2 16.5 18 19 A R E -A 8 0A 111 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.890 34.3-163.8-102.3 131.5 27.4 -9.6 13.1 19 20 A V E -A 7 0A 1 -12,-2.5 -12,-2.8 -2,-0.5 2,-0.3 -0.930 8.7-160.7-106.8 142.3 28.0 -12.5 10.8 20 21 A S E -AC 6 133A 9 113,-2.4 113,-1.2 -2,-0.4 2,-0.4 -0.843 3.8-157.5-120.5 156.9 30.2 -12.0 7.7 21 22 A F E -A 5 0A 1 -16,-2.9 -16,-2.2 -2,-0.3 2,-0.6 -0.997 15.7-137.7-136.5 137.4 30.4 -14.1 4.6 22 23 A E E -AC 4 130A 35 108,-2.8 108,-2.2 -2,-0.4 2,-0.5 -0.869 21.0-153.0 -87.3 124.3 32.8 -14.7 1.8 23 24 A L E - C 0 129A 0 -20,-2.4 2,-2.0 -2,-0.6 3,-0.3 -0.876 13.4-135.7 -95.3 126.1 31.0 -14.9 -1.6 24 25 A F >> + 0 0 24 104,-2.5 4,-2.7 -2,-0.5 3,-2.2 -0.391 40.8 157.0 -82.2 65.3 32.9 -17.1 -4.1 25 26 A A T 34 + 0 0 34 -2,-2.0 -1,-0.2 1,-0.3 5,-0.1 0.797 69.5 68.1 -61.3 -28.1 32.6 -14.8 -7.2 26 27 A D T 34 S+ 0 0 100 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.486 116.7 21.9 -69.5 -5.7 35.7 -16.5 -8.6 27 28 A K T <4 S+ 0 0 90 -3,-2.2 -2,-0.2 101,-0.1 -1,-0.2 0.562 139.5 22.9-131.3 -28.2 33.6 -19.7 -9.0 28 29 A V X + 0 0 0 -4,-2.7 4,-3.1 100,-0.2 5,-0.3 -0.487 69.0 165.5-140.3 68.2 29.9 -18.7 -9.1 29 30 A P H > S+ 0 0 68 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.859 74.8 46.6 -48.6 -53.1 30.1 -15.0 -10.2 30 31 A K H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.928 116.5 43.5 -69.3 -38.8 26.5 -14.7 -11.1 31 32 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.937 114.7 49.3 -70.9 -40.9 25.1 -16.3 -8.0 32 33 A A H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 -1,-0.2 0.909 109.8 53.7 -63.5 -33.7 27.6 -14.5 -5.7 33 34 A E H X S+ 0 0 65 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.864 105.0 52.4 -73.6 -34.8 26.6 -11.3 -7.4 34 35 A N H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.967 112.9 43.5 -66.1 -48.3 23.0 -11.8 -6.7 35 36 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.964 113.4 53.4 -64.6 -47.3 23.5 -12.4 -3.0 36 37 A R H X S+ 0 0 28 -4,-3.3 4,-1.4 1,-0.2 3,-0.5 0.946 110.6 45.9 -49.6 -55.3 26.0 -9.4 -2.8 37 38 A A H X>S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 5,-0.7 0.860 111.5 51.1 -60.0 -34.4 23.6 -7.0 -4.4 38 39 A L H <5S+ 0 0 1 -4,-2.1 9,-2.7 1,-0.2 10,-0.5 0.763 106.9 56.4 -77.7 -23.0 20.6 -8.1 -2.2 39 40 A S H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.758 113.0 38.9 -72.8 -31.4 22.9 -7.7 0.9 40 41 A T H <5S- 0 0 46 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.680 96.4-138.5 -87.7 -21.4 23.6 -4.0 0.0 41 42 A G T ><5 + 0 0 30 -4,-1.6 3,-1.9 -5,-0.2 -3,-0.2 0.673 54.6 143.5 69.2 15.4 20.1 -3.2 -1.2 42 43 A E T 3 < + 0 0 103 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.798 64.8 57.4 -60.8 -27.1 21.6 -1.2 -4.0 43 44 A K T 3 S- 0 0 124 -6,-0.5 -1,-0.3 2,-0.4 3,-0.1 0.534 125.0 -98.4 -84.2 -0.9 18.9 -2.4 -6.5 44 45 A G S < S+ 0 0 68 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.417 100.6 52.6 102.4 -2.1 16.1 -1.0 -4.2 45 46 A F + 0 0 62 0, 0.0 -2,-0.4 0, 0.0 2,-0.3 -0.967 63.8 118.1-148.6 164.4 15.1 -4.1 -2.5 46 47 A G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.993 66.7 -43.6 168.4-157.2 17.0 -6.8 -0.6 47 48 A Y S > S+ 0 0 0 -9,-2.7 3,-2.7 -2,-0.3 110,-0.3 0.697 80.5 114.8 -77.8 -24.0 17.7 -8.6 2.6 48 49 A K T 3 S+ 0 0 139 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.247 90.3 11.8 -50.2 124.7 17.7 -5.8 5.2 49 50 A G T 3 S+ 0 0 48 108,-3.3 -1,-0.3 1,-0.3 109,-0.1 0.280 99.0 120.8 96.1 -13.0 14.7 -6.4 7.5 50 51 A S < - 0 0 1 -3,-2.7 107,-2.2 107,-0.2 -1,-0.3 -0.326 51.8-132.6 -81.4 170.8 13.9 -9.9 6.3 51 52 A C B -D 156 0A 10 14,-0.4 2,-0.8 105,-0.2 13,-0.5 -0.745 18.5-110.3-117.8 164.8 13.8 -13.0 8.6 52 53 A F - 0 0 0 103,-2.1 103,-0.4 -2,-0.2 11,-0.3 -0.880 38.5-178.7 -83.1 103.9 15.1 -16.5 8.8 53 54 A H + 0 0 33 -2,-0.8 2,-0.4 9,-0.5 98,-0.3 0.511 65.3 41.6 -89.5 -4.4 11.7 -18.2 8.5 54 55 A K E +E 62 0A 84 8,-1.3 8,-3.2 96,-0.1 2,-0.4 -0.871 59.9 167.6-149.5 109.0 12.9 -21.7 8.7 55 56 A I E -E 61 0A 0 94,-1.7 91,-1.7 -2,-0.4 94,-0.4 -0.965 8.4-175.1-124.1 115.7 15.6 -22.9 11.1 56 57 A I E >> -E 60 0A 16 4,-2.6 3,-2.1 -2,-0.4 4,-1.1 -0.861 29.5-125.0-112.9 104.0 16.1 -26.6 11.6 57 58 A P T 34 S+ 0 0 54 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.066 93.0 14.9 -52.7 135.3 18.7 -27.3 14.3 58 59 A G T 34 S+ 0 0 50 1,-0.1 81,-0.0 81,-0.1 56,-0.0 0.526 128.7 56.8 81.8 4.7 21.6 -29.5 13.2 59 60 A F T <4 S- 0 0 46 -3,-2.1 56,-2.4 1,-0.2 57,-0.5 0.536 106.2 -56.0-128.3 -74.9 20.7 -28.9 9.6 60 61 A M E < -EF 56 114A 3 -4,-1.1 -4,-2.6 54,-0.3 2,-0.5 -0.981 29.0-120.5-168.1 164.9 20.5 -25.3 8.4 61 62 A C E -EF 55 113A 0 52,-2.0 52,-2.5 -2,-0.3 2,-0.4 -0.980 32.9-161.3-111.7 124.8 19.1 -21.8 8.8 62 63 A Q E +EF 54 112A 29 -8,-3.2 -8,-1.3 -2,-0.5 -9,-0.5 -0.890 22.6 138.5-116.5 138.4 17.2 -20.5 5.8 63 64 A G E + F 0 111A 0 48,-2.4 48,-1.8 -2,-0.4 -11,-0.2 -0.692 21.4 106.8-147.2-157.9 16.2 -16.9 4.9 64 65 A G + 0 0 0 -13,-0.5 2,-1.5 46,-0.2 11,-0.2 0.446 42.4 128.5 92.6 -1.9 16.0 -14.5 2.0 65 66 A D > + 0 0 0 -14,-0.5 4,-1.3 1,-0.2 -14,-0.4 -0.681 21.0 157.4 -85.6 86.7 12.2 -14.3 1.5 66 67 A F T 4 + 0 0 28 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.1 0.503 67.6 53.1 -93.2 -4.6 12.0 -10.5 1.6 67 68 A T T 4 S+ 0 0 50 -3,-0.2 -1,-0.2 -17,-0.0 -2,-0.1 0.636 132.9 3.5 -97.7 -16.2 8.7 -10.3 -0.4 68 69 A R T 4 S- 0 0 153 -3,-0.1 -2,-0.2 0, 0.0 4,-0.1 0.440 78.0-142.1-150.3 -8.0 6.7 -12.7 1.8 69 70 A H S < S+ 0 0 87 -4,-1.3 -3,-0.1 1,-0.2 -5,-0.0 0.693 81.2 81.2 57.8 27.4 8.8 -13.9 4.8 70 71 A N S S- 0 0 87 -7,-0.0 -1,-0.2 -16,-0.0 -4,-0.1 0.340 110.8 -87.6-148.9 1.6 7.5 -17.5 4.7 71 72 A G S S+ 0 0 29 -6,-0.1 -2,-0.1 -17,-0.0 39,-0.1 0.294 113.1 81.8 106.9 -7.3 9.4 -19.4 2.1 72 73 A T S S+ 0 0 105 -7,-0.1 -3,-0.0 -4,-0.1 0, 0.0 0.792 85.0 61.2 -96.4 -31.7 7.1 -18.6 -0.8 73 74 A G + 0 0 11 -8,-0.1 36,-0.3 36,-0.0 37,-0.2 0.333 52.9 99.3 -80.9-155.4 8.6 -15.1 -1.7 74 75 A G - 0 0 13 34,-0.1 2,-0.3 35,-0.1 -9,-0.1 0.154 40.6-146.1 90.5 148.0 11.9 -13.6 -2.8 75 76 A K - 0 0 75 -11,-0.2 5,-0.2 33,-0.1 6,-0.1 -0.984 13.5-123.8-143.4 150.5 13.2 -12.5 -6.2 76 77 A S - 0 0 1 4,-1.3 3,-0.5 -2,-0.3 33,-0.1 -0.226 29.7-114.0 -74.5 175.0 16.6 -12.5 -7.9 77 78 A I S S+ 0 0 34 31,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.375 111.1 63.0 -90.7 1.3 18.2 -9.3 -9.2 78 79 A Y S S- 0 0 87 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.416 124.0 -69.9-102.3 -0.1 17.9 -10.7 -12.7 79 80 A G S S- 0 0 46 -3,-0.5 -3,-0.2 1,-0.2 -1,-0.1 -0.971 86.4 -39.4 141.2-138.0 14.2 -11.2 -13.1 80 81 A E S S- 0 0 132 1,-0.4 -4,-1.3 -2,-0.3 2,-0.3 0.894 117.9 -4.8 -92.5 -50.7 12.1 -13.7 -11.2 81 82 A K - 0 0 118 -6,-0.1 -1,-0.4 -3,-0.1 2,-0.3 -0.927 61.1-157.7-143.9 155.7 14.4 -16.8 -11.2 82 83 A F B -I 107 0B 8 25,-1.9 25,-1.7 -2,-0.3 3,-0.1 -0.921 24.5 -88.8-141.4 175.5 17.7 -17.9 -12.6 83 84 A E - 0 0 80 -2,-0.3 2,-0.5 23,-0.2 3,-0.1 -0.205 42.5 -90.4 -90.2 161.9 19.6 -20.9 -13.5 84 85 A D - 0 0 29 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.525 36.9-161.6 -63.9 115.4 21.9 -23.2 -11.7 85 86 A E - 0 0 52 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.940 56.9 -53.4 -74.5 -44.4 25.3 -21.6 -12.4 86 87 A N - 0 0 36 -3,-0.1 -1,-0.3 -58,-0.1 41,-0.2 -0.969 32.5-124.6-177.0 178.4 27.3 -24.7 -11.6 87 88 A F + 0 0 73 -2,-0.3 -59,-0.1 39,-0.1 39,-0.0 -0.278 63.6 125.4-133.2 38.3 28.0 -27.3 -8.9 88 89 A I + 0 0 94 -61,-0.2 2,-0.3 39,-0.1 -1,-0.1 0.990 65.5 63.4 -58.6 -55.6 31.7 -26.8 -8.6 89 90 A L S S- 0 0 40 38,-0.4 38,-0.6 -3,-0.1 34,-0.3 -0.513 73.9-153.9 -82.8 137.2 31.3 -26.2 -4.8 90 91 A K - 0 0 106 -2,-0.3 2,-1.4 32,-0.1 3,-0.2 -0.562 30.0-102.1-103.6 163.1 30.0 -29.0 -2.5 91 92 A H + 0 0 1 1,-0.2 27,-0.4 -2,-0.2 28,-0.1 -0.681 52.6 163.2 -86.3 91.4 28.2 -28.8 1.0 92 93 A T - 0 0 94 -2,-1.4 25,-0.2 1,-0.2 -1,-0.2 0.687 50.6 -55.5 -97.1 -18.0 31.3 -29.6 3.0 93 94 A G S > S- 0 0 7 23,-0.3 3,-1.9 -3,-0.2 -1,-0.2 -0.988 80.2 -18.2 169.0-171.1 30.2 -28.5 6.4 94 95 A P T 3 S+ 0 0 82 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.181 116.0 36.3 -49.7 146.2 28.8 -26.0 8.8 95 96 A G T 3 S+ 0 0 7 19,-2.9 36,-2.0 1,-0.3 20,-0.1 0.055 80.5 138.3 94.0 -22.2 29.2 -22.4 7.6 96 97 A I E < -G 130 0A 13 -3,-1.9 18,-2.7 34,-0.2 2,-0.5 -0.305 43.2-149.0 -60.5 132.3 28.5 -23.3 3.9 97 98 A L E +GH 129 113A 0 32,-3.1 31,-2.1 16,-0.2 32,-1.2 -0.890 26.7 166.7-104.0 129.6 26.2 -20.8 2.2 98 99 A S E -GH 127 112A 0 14,-2.8 14,-2.5 -2,-0.5 2,-0.4 -0.963 35.8 -97.0-146.5 157.7 23.9 -22.2 -0.5 99 100 A M E - H 0 111A 0 27,-2.5 12,-0.3 -2,-0.3 2,-0.2 -0.581 25.9-144.5 -78.6 127.7 20.8 -21.4 -2.7 100 101 A A + 0 0 10 10,-2.0 8,-0.5 -2,-0.4 2,-0.3 -0.592 34.6 157.7 -71.2 153.4 17.4 -22.6 -1.8 101 102 A N - 0 0 44 -2,-0.2 6,-0.1 6,-0.1 4,-0.0 -0.940 48.2-122.7-161.0-177.6 15.3 -23.6 -4.8 102 103 A A S S- 0 0 92 1,-0.7 -2,-0.0 -2,-0.3 5,-0.0 -0.296 84.0 -43.0-128.7 47.5 12.3 -25.7 -6.0 103 104 A G S > S- 0 0 26 21,-0.2 3,-1.0 3,-0.0 -1,-0.7 -0.433 103.0 -15.6 107.9 165.9 13.9 -27.8 -8.6 104 105 A P T 3 S+ 0 0 102 0, 0.0 -21,-0.1 0, 0.0 -2,-0.0 -0.056 125.6 2.4 -41.1 130.5 16.5 -27.1 -11.4 105 106 A N T 3 S+ 0 0 86 1,-0.1 -22,-0.1 -4,-0.0 -24,-0.0 0.763 89.1 120.8 57.7 39.6 17.0 -23.4 -12.3 106 107 A T < + 0 0 32 -3,-1.0 2,-0.2 -25,-0.1 -23,-0.2 0.033 30.1 152.9-121.5 30.4 14.6 -21.9 -9.8 107 108 A N B +I 82 0B 0 -25,-1.7 -25,-1.9 1,-0.1 -31,-0.2 -0.401 8.0 155.3 -59.2 121.1 17.1 -19.6 -7.9 108 109 A G - 0 0 13 -8,-0.5 -31,-0.2 2,-0.3 -33,-0.1 0.363 65.2 -66.7-110.5-116.4 15.4 -16.6 -6.4 109 110 A S S S+ 0 0 0 -36,-0.3 2,-0.2 -33,-0.1 -35,-0.1 0.371 94.8 111.7-122.3 -5.0 16.7 -14.8 -3.4 110 111 A Q + 0 0 21 -37,-0.2 -10,-2.0 -10,-0.1 -2,-0.3 -0.536 38.7 162.1 -81.9 141.0 16.3 -17.5 -0.8 111 112 A F E -FH 63 99A 0 -48,-1.8 -48,-2.4 -12,-0.3 2,-0.3 -0.881 23.0-143.5-144.2 170.8 19.4 -19.1 0.8 112 113 A F E -FH 62 98A 5 -14,-2.5 -14,-2.8 -2,-0.3 2,-0.6 -0.990 10.3-138.4-145.8 151.5 20.5 -21.2 3.7 113 114 A I E -FH 61 97A 2 -52,-2.5 -52,-2.0 -2,-0.3 -16,-0.2 -0.967 28.9-131.3-106.8 112.5 23.5 -21.4 6.0 114 115 A C E -F 60 0A 0 -18,-2.7 -19,-2.9 -2,-0.6 -54,-0.3 -0.351 18.8-171.0 -57.9 138.4 24.5 -25.0 6.7 115 116 A T S S+ 0 0 17 -56,-2.4 2,-0.3 -21,-0.3 -55,-0.2 0.187 76.9 17.2-114.0 13.5 25.1 -25.9 10.4 116 117 A A S S- 0 0 29 -57,-0.5 2,-0.4 -23,-0.2 -23,-0.3 -0.941 101.7 -68.9-158.9 173.1 26.5 -29.3 9.3 117 118 A K + 0 0 121 -2,-0.3 -25,-0.2 -25,-0.2 3,-0.1 -0.621 47.8 176.8 -62.9 122.3 27.8 -31.3 6.3 118 119 A T > + 0 0 0 -27,-0.4 3,-2.5 -2,-0.4 4,-0.2 -0.349 14.7 155.6-129.7 52.4 24.8 -31.7 4.1 119 120 A E G > + 0 0 95 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.613 60.6 78.6 -65.1 -12.6 26.3 -33.5 1.1 120 121 A W G 3 S+ 0 0 151 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.703 91.5 57.3 -67.1 -13.4 22.9 -35.0 0.1 121 122 A L G X> S+ 0 0 23 -3,-2.5 3,-2.2 -30,-0.1 4,-1.2 0.536 80.2 125.2 -88.2 -8.1 22.2 -31.5 -1.3 122 123 A D B <4 S+j 125 0C 49 -3,-1.7 -32,-0.1 1,-0.3 4,-0.1 -0.274 77.9 10.9 -55.8 131.7 25.3 -31.7 -3.5 123 124 A G T 34 S+ 0 0 38 2,-0.5 -1,-0.3 -34,-0.3 3,-0.1 0.481 121.4 69.7 81.0 3.2 24.6 -31.1 -7.2 124 125 A K T <4 S+ 0 0 140 -3,-2.2 2,-0.4 1,-0.3 -21,-0.2 0.534 99.0 40.3-119.2 -16.7 21.1 -30.0 -6.4 125 126 A H B < S-j 122 0C 30 -4,-1.2 2,-0.7 -21,-0.0 -2,-0.5 -0.990 84.7-120.1-130.8 141.2 21.7 -26.6 -4.7 126 127 A V - 0 0 1 -2,-0.4 -27,-2.5 -27,-0.2 2,-0.4 -0.708 22.0-149.1 -89.1 118.9 24.4 -24.1 -5.8 127 128 A V E + G 0 98A 2 -2,-0.7 -38,-0.4 -38,-0.6 -29,-0.2 -0.744 29.9 156.9 -84.1 133.6 26.9 -23.4 -3.1 128 129 A F E + 0 0 0 -31,-2.1 -104,-2.5 -2,-0.4 2,-0.3 0.424 51.0 10.4-142.1 3.7 28.3 -19.9 -3.4 129 130 A G E -CG 23 97A 0 -32,-1.2 -32,-3.1 -106,-0.3 2,-0.3 -0.974 52.6-136.5-172.7 171.9 29.7 -18.7 -0.1 130 131 A K E -CG 22 96A 91 -108,-2.2 -108,-2.8 -2,-0.3 -34,-0.2 -0.991 28.9-109.7-148.8 152.9 30.8 -19.4 3.4 131 132 A V E + 0 0 4 -36,-2.0 2,-2.1 -2,-0.3 -111,-0.2 0.887 37.0 172.7 -53.8 -53.2 30.5 -17.9 6.8 132 133 A K E + 0 0 96 -111,-0.1 2,-0.4 -113,-0.1 -111,-0.2 -0.260 65.3 29.9 76.4 -74.1 34.0 -16.7 7.6 133 134 A E E S+C 20 0A 125 -2,-2.1 -113,-2.4 -113,-1.2 0, 0.0 -0.999 115.1 21.7-127.2 139.8 33.2 -14.7 10.8 134 135 A G >> + 0 0 25 -2,-0.4 4,-1.2 -115,-0.2 3,-0.9 0.746 55.7 151.8 89.8 27.4 30.5 -15.3 13.5 135 136 A M H >> S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.924 74.8 63.1 -48.1 -42.8 29.7 -19.0 12.9 136 137 A N H 3> S+ 0 0 116 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.827 96.7 55.8 -52.8 -37.5 28.8 -18.9 16.7 137 138 A I H <> S+ 0 0 26 -3,-0.9 4,-1.8 2,-0.2 -1,-0.3 0.895 106.6 49.6 -63.6 -38.0 26.1 -16.4 16.0 138 139 A V H < S+ 0 0 20 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.889 108.1 53.4 -65.4 -33.4 22.9 -19.4 18.6 141 142 A M H >< S+ 0 0 0 -4,-1.8 3,-2.2 1,-0.3 -1,-0.2 0.860 95.5 67.7 -65.5 -38.3 20.3 -19.0 15.9 142 143 A E H >< S+ 0 0 32 -4,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.755 90.9 65.6 -51.3 -28.7 20.0 -22.7 15.6 143 144 A R T << S+ 0 0 176 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.500 92.1 57.8 -83.8 -1.8 18.5 -22.8 19.0 144 145 A F T < S+ 0 0 48 -3,-2.2 8,-2.8 -4,-0.1 9,-0.4 0.210 96.2 86.8-103.2 13.0 15.3 -20.8 18.1 145 146 A G < - 0 0 16 -3,-1.2 2,-0.3 6,-0.2 -89,-0.2 -0.208 62.6-149.1 -96.9-169.1 14.4 -23.4 15.5 146 147 A S > - 0 0 32 -91,-1.7 3,-1.3 -2,-0.1 -2,-0.1 -0.944 38.2 -89.3-156.3 169.1 12.5 -26.6 15.7 147 148 A R T 3 S+ 0 0 209 -2,-0.3 -91,-0.1 1,-0.3 -1,-0.0 0.801 129.2 41.8 -59.4 -26.8 12.4 -30.1 13.9 148 149 A N T 3 S- 0 0 118 2,-0.1 -1,-0.3 -93,-0.1 -92,-0.1 0.478 118.3-109.1 -98.8 -7.7 9.9 -28.6 11.4 149 150 A G S < S+ 0 0 2 -3,-1.3 -94,-1.7 1,-0.4 -87,-0.1 0.263 70.5 139.3 99.9 -12.0 11.7 -25.3 11.0 150 151 A K - 0 0 160 -96,-0.2 -1,-0.4 -5,-0.1 2,-0.3 -0.435 47.5-137.3 -60.7 136.1 9.1 -23.1 12.7 151 152 A T - 0 0 31 -98,-0.3 -6,-0.2 -6,-0.1 -1,-0.1 -0.746 9.1-147.7-105.7 150.9 11.1 -20.6 14.7 152 153 A S S S+ 0 0 89 -8,-2.8 2,-0.3 -2,-0.3 -7,-0.1 0.379 83.4 28.3-104.9 1.8 10.2 -19.6 18.3 153 154 A K S S- 0 0 95 -9,-0.4 2,-1.0 2,-0.0 -9,-0.0 -0.935 95.9 -94.5-145.9 165.5 11.4 -16.0 18.2 154 155 A K - 0 0 122 -2,-0.3 -142,-2.4 -103,-0.1 2,-0.6 -0.730 39.4-164.7 -87.8 103.9 11.7 -13.6 15.2 155 156 A I E +B 11 0A 0 -2,-1.0 -103,-2.1 -103,-0.4 2,-0.3 -0.834 20.4 175.4 -91.6 118.3 15.3 -13.9 13.9 156 157 A T E -BD 10 51A 23 -146,-3.2 -146,-2.6 -2,-0.6 2,-0.9 -0.797 43.5-121.7-127.7 161.9 16.1 -10.9 11.6 157 158 A I E -B 9 0A 0 -107,-2.2 -108,-3.3 -110,-0.3 -148,-0.2 -0.871 29.4-178.4 -96.9 97.9 18.7 -9.2 9.5 158 159 A A E - 0 0 55 -150,-2.5 2,-0.3 -2,-0.9 -1,-0.2 0.841 69.5 -5.4 -72.9 -30.1 18.6 -5.8 11.2 159 160 A D E +B 8 0A 52 -151,-1.1 -151,-2.8 -3,-0.1 2,-0.3 -0.986 65.4 173.0-155.5 162.6 21.2 -4.6 8.8 160 161 A C E +B 7 0A 13 -2,-0.3 2,-0.3 -153,-0.2 -153,-0.2 -0.966 12.7 132.1-165.8 157.1 23.5 -5.8 6.0 161 162 A G E -B 6 0A 10 -155,-1.2 -155,-2.2 -2,-0.3 2,-0.4 -0.953 53.4 -59.4-179.5-165.0 25.9 -4.6 3.4 162 163 A Q E -B 5 0A 75 -2,-0.3 -157,-0.3 -157,-0.2 -2,-0.0 -0.816 25.8-176.3-101.7 138.0 29.3 -5.2 1.9 163 164 A L 0 0 82 -159,-3.0 -158,-0.2 -2,-0.4 -1,-0.1 0.662 360.0 360.0 -99.7 -23.5 32.5 -5.0 3.8 164 165 A E 0 0 147 -160,-1.7 -159,-0.1 -163,-0.0 -2,-0.1 0.345 360.0 360.0-170.0 360.0 34.7 -5.6 0.8