==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/VIRAL PROTEIN 12-JAN-10 2X2D . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LAMMERS,H.NEUMANN,J.W.CHIN,L.C.JAMES . 611 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 66.0 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 . 107 17.5 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 . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 29 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1 3 3 1 0 2 1 1 0 1 0 0 0 1 2 0 0 0 0 0 0 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 . 5 0 4 7 0 0 1 3 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 . 1 0 0 0 0 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 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 B M 0 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.4 17.5 21.2 -26.1 2 2 B V + 0 0 124 2,-0.1 23,-0.0 23,-0.0 24,-0.0 0.882 360.0 87.2 -72.9 -40.4 18.0 20.5 -22.4 3 3 B N S S- 0 0 20 1,-0.1 22,-0.1 22,-0.0 0, 0.0 -0.396 77.1-130.4 -67.9 121.1 16.3 17.1 -22.2 4 4 B P - 0 0 20 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.304 12.4-138.5 -68.8 159.8 18.6 14.2 -23.0 5 5 B T E -AB 23 164A 29 159,-0.5 159,-2.0 18,-0.2 2,-0.3 -0.975 18.7-169.1-117.7 138.7 17.8 11.6 -25.5 6 6 B V E -AB 22 163A 0 16,-2.2 16,-3.1 -2,-0.4 2,-0.4 -0.903 4.7-152.9-125.2 148.1 18.5 7.9 -24.8 7 7 B F E -AB 21 162A 22 155,-2.7 155,-1.8 -2,-0.3 2,-0.4 -0.973 7.3-167.7-122.7 146.1 18.4 4.8 -27.0 8 8 B F E -AB 20 161A 1 12,-2.8 12,-2.7 -2,-0.4 2,-0.6 -0.996 12.2-151.8-117.0 129.0 17.9 1.1 -26.5 9 9 B D E -AB 19 160A 42 151,-2.9 150,-1.4 -2,-0.4 151,-1.2 -0.914 24.5-149.7 -88.6 124.4 18.6 -1.6 -29.3 10 10 B I E -AB 18 158A 3 8,-3.0 7,-2.7 -2,-0.6 8,-1.5 -0.779 14.0-169.6-101.2 141.7 16.2 -4.4 -28.5 11 11 B A E -AB 16 157A 3 146,-2.6 146,-2.6 -2,-0.4 2,-0.5 -0.933 15.2-146.7-128.2 148.6 16.9 -8.0 -29.3 12 12 B V E > S-AB 15 156A 6 3,-3.0 3,-2.0 -2,-0.3 144,-0.2 -0.971 88.2 -24.0-119.3 115.7 14.6 -11.1 -29.2 13 13 B D T 3 S- 0 0 66 142,-2.5 -1,-0.2 -2,-0.5 143,-0.1 0.910 129.6 -50.9 35.4 53.6 16.6 -14.2 -28.2 14 14 B G T 3 S+ 0 0 64 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.280 114.7 119.5 76.8 -10.9 19.7 -12.4 -29.5 15 15 B E E < S-A 12 0A 129 -3,-2.0 -3,-3.0 1,-0.1 -1,-0.2 -0.784 72.9-109.1 -86.5 125.4 18.1 -11.5 -32.9 16 16 B P E +A 11 0A 123 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.211 38.5 172.5 -53.0 124.1 17.9 -7.7 -33.5 17 17 B L E - 0 0 56 -7,-2.7 2,-0.3 1,-0.3 -6,-0.2 0.809 49.7 -96.1 -98.2 -50.2 14.3 -6.3 -33.4 18 18 B G E -A 10 0A 25 -8,-1.5 -8,-3.0 2,-0.0 2,-0.4 -0.893 39.5 -54.9 156.9-170.4 15.2 -2.6 -33.6 19 19 B R E -A 9 0A 116 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.748 29.3-169.6-107.5 134.3 15.8 0.8 -31.9 20 20 B V E -A 8 0A 1 -12,-2.7 -12,-2.8 -2,-0.4 2,-0.4 -0.987 11.0-162.2-116.2 131.1 13.7 2.7 -29.4 21 21 B S E -AC 7 134A 9 113,-2.7 112,-3.9 -2,-0.5 113,-1.0 -0.887 3.6-159.8-116.3 142.4 14.6 6.2 -28.5 22 22 B F E -AC 6 132A 0 -16,-3.1 -16,-2.2 -2,-0.4 2,-0.5 -0.978 16.1-144.2-122.5 136.8 13.4 8.2 -25.5 23 23 B E E -AC 5 131A 54 108,-2.9 108,-2.2 -2,-0.4 2,-0.4 -0.863 24.0-150.8 -89.3 127.5 13.2 11.9 -24.5 24 24 B L E - C 0 130A 0 -20,-2.5 2,-2.2 -2,-0.5 106,-0.3 -0.891 12.4-133.3 -99.6 127.9 13.9 12.2 -20.8 25 25 B F >> + 0 0 33 104,-2.5 4,-2.8 -2,-0.4 3,-1.2 -0.422 42.1 157.2 -84.3 67.6 12.2 15.1 -19.1 26 26 B A T 34 S+ 0 0 26 -2,-2.2 -1,-0.2 1,-0.2 8,-0.1 0.730 70.2 64.8 -59.2 -26.4 15.2 16.4 -17.1 27 27 B D T 34 S+ 0 0 85 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.744 115.8 25.7 -70.6 -28.0 13.4 19.8 -17.1 28 28 B K T <4 S+ 0 0 89 -3,-1.2 -2,-0.2 1,-0.1 -1,-0.1 0.734 138.9 21.8 -96.1 -35.8 10.5 18.4 -14.9 29 29 B V X + 0 0 0 -4,-2.8 4,-2.6 100,-0.1 5,-0.2 -0.611 67.4 168.1-137.4 68.5 12.1 15.5 -13.1 30 30 B P H > S+ 0 0 74 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.863 75.4 48.7 -55.9 -45.7 16.0 16.1 -13.1 31 31 B K H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.869 116.2 41.0 -65.3 -43.1 16.9 13.3 -10.5 32 32 B T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.921 113.9 52.0 -73.5 -44.5 14.9 10.6 -12.1 33 33 B A H X S+ 0 0 2 -4,-2.6 4,-2.6 -8,-0.2 -2,-0.2 0.914 111.4 49.4 -55.9 -44.0 15.8 11.5 -15.7 34 34 B E H X S+ 0 0 65 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.900 106.9 54.4 -68.1 -42.1 19.6 11.4 -14.6 35 35 B N H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.953 114.1 40.7 -46.3 -58.9 19.2 8.0 -12.9 36 36 B F H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.897 116.0 51.0 -68.0 -37.8 17.8 6.5 -16.2 37 37 B R H X S+ 0 0 28 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.933 112.1 45.0 -62.7 -47.5 20.3 8.4 -18.4 38 38 B A H X>S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.3 5,-0.9 0.903 112.6 51.9 -68.6 -40.9 23.3 7.3 -16.4 39 39 B L H <5S+ 0 0 1 -4,-2.4 9,-2.0 -5,-0.3 10,-0.5 0.782 108.5 52.7 -62.8 -29.7 22.1 3.7 -16.3 40 40 B S H <5S+ 0 0 2 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.792 112.9 42.7 -78.0 -26.0 21.7 3.8 -20.1 41 41 B T H <5S- 0 0 47 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.705 98.0-136.7 -88.1 -22.5 25.3 5.0 -20.6 42 42 B G T ><5 + 0 0 32 -4,-1.6 3,-1.9 4,-0.2 -3,-0.2 0.625 56.3 142.2 76.0 13.2 26.8 2.6 -18.1 43 43 B E T 3 < + 0 0 106 -5,-0.9 -4,-0.1 1,-0.3 4,-0.1 0.662 63.7 56.5 -68.8 -11.3 28.9 5.5 -16.9 44 44 B K T 3 S- 0 0 104 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.384 122.8 -99.4 -94.7 0.5 28.7 4.4 -13.2 45 45 B G S < S+ 0 0 72 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.364 101.0 54.8 97.2 -3.0 30.1 0.9 -13.9 46 46 B F + 0 0 59 32,-0.0 -2,-0.5 0, 0.0 2,-0.3 -0.967 63.3 116.4-150.6 159.5 26.7 -0.9 -14.0 47 47 B G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.999 66.4 -42.1 170.4-161.7 23.4 -0.4 -16.0 48 48 B Y S > S+ 0 0 0 -9,-2.0 3,-2.7 -2,-0.3 110,-0.3 0.709 79.9 118.2 -68.7 -22.4 20.8 -1.5 -18.4 49 49 B K T 3 S+ 0 0 134 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.216 88.6 6.7 -54.9 129.0 23.1 -3.0 -21.1 50 50 B G T 3 S+ 0 0 51 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.424 101.4 125.5 82.7 0.4 22.4 -6.8 -21.5 51 51 B S < - 0 0 1 -3,-2.7 107,-2.7 107,-0.3 -1,-0.3 -0.340 51.0-128.5 -89.9 171.3 19.4 -6.7 -19.1 52 52 B C B -D 157 0A 32 105,-0.2 2,-0.8 14,-0.2 13,-0.7 -0.703 14.3-115.7-122.6 161.8 15.9 -7.9 -20.1 53 53 B F E +E 64 0A 1 103,-2.2 103,-0.5 -2,-0.2 11,-0.3 -0.943 38.8 177.2 -93.8 107.1 12.3 -6.9 -20.1 54 54 B H E + 0 0 37 -2,-0.8 2,-0.4 9,-0.6 98,-0.3 0.559 59.9 45.0 -98.4 -10.2 11.0 -9.4 -17.6 55 55 B R E +E 63 0A 45 8,-1.6 8,-3.4 96,-0.1 2,-0.5 -0.919 62.6 170.5-139.7 104.1 7.3 -8.5 -17.3 56 56 B I E -E 62 0A 0 94,-2.6 91,-1.5 -2,-0.4 94,-0.3 -0.971 7.8-177.4-117.6 120.8 5.4 -7.8 -20.5 57 57 B I E >> -E 61 0A 6 4,-2.8 3,-2.1 -2,-0.5 4,-1.6 -0.935 24.8-133.1-122.7 110.0 1.6 -7.3 -20.4 58 58 B P T 34 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 86,-0.0 -0.270 94.6 23.4 -60.1 140.0 -0.1 -6.8 -23.9 59 59 B G T 34 S+ 0 0 54 1,-0.2 56,-0.0 57,-0.1 84,-0.0 0.279 130.4 47.1 86.8 -8.7 -2.6 -3.9 -23.8 60 60 B F T <4 S- 0 0 2 -3,-2.1 56,-2.4 1,-0.2 57,-0.6 0.625 103.9 -48.5-130.7 -75.4 -0.7 -2.5 -20.8 61 61 B M E < -EF 57 115A 0 -4,-1.6 -4,-2.8 54,-0.3 2,-0.5 -0.995 29.7-119.6-166.9 163.1 3.0 -2.1 -20.5 62 62 B C E -EF 56 114A 0 52,-2.4 52,-2.1 -2,-0.3 2,-0.4 -0.962 32.6-162.0-111.1 119.9 6.5 -3.5 -20.9 63 63 B Q E +EF 55 113A 0 -8,-3.4 -8,-1.6 -2,-0.5 -9,-0.6 -0.874 23.7 130.6-107.8 140.1 8.6 -3.5 -17.8 64 64 B G E +EF 53 112A 0 48,-2.0 48,-2.2 -2,-0.4 -11,-0.2 -0.717 18.9 107.8-153.3-157.2 12.4 -3.9 -17.4 65 65 B G + 0 0 0 -13,-0.7 2,-1.6 46,-0.2 11,-0.3 0.415 43.2 127.6 90.7 -0.3 15.5 -2.4 -15.7 66 66 B D > + 0 0 3 -14,-0.4 4,-1.7 1,-0.2 3,-0.4 -0.571 23.1 158.7 -88.7 79.2 16.2 -5.1 -13.1 67 67 B F T 4 + 0 0 26 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.390 63.9 56.0 -82.4 -0.2 19.9 -5.6 -14.0 68 68 B T T 4 S+ 0 0 63 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.717 126.9 9.7 -96.0 -25.0 21.0 -7.2 -10.8 69 69 B R T 4 S- 0 0 148 -3,-0.4 -2,-0.2 0, 0.0 -3,-0.0 0.517 81.2-139.3-136.4 -24.2 18.6 -10.1 -10.5 70 70 B H S < S+ 0 0 104 -4,-1.7 -3,-0.1 1,-0.1 -4,-0.0 0.551 84.1 77.4 67.6 19.0 16.8 -10.3 -13.9 71 71 B N S S- 0 0 86 -5,-0.1 -1,-0.1 -7,-0.0 -4,-0.1 0.342 108.4 -92.5-143.8 5.0 13.4 -11.1 -12.2 72 72 B G S S+ 0 0 12 -6,-0.1 484,-1.0 483,-0.0 39,-0.0 0.361 109.2 87.8 92.6 -2.5 11.7 -7.9 -10.7 73 73 B T S S+ 0 0 97 482,-0.1 2,-0.0 -7,-0.1 -3,-0.0 0.610 87.3 54.6 -95.4 -15.1 13.2 -8.4 -7.2 74 74 B G + 0 0 11 -8,-0.1 36,-0.3 482,-0.0 37,-0.2 -0.022 50.6 109.2-105.8-155.4 16.3 -6.4 -8.1 75 75 B G - 0 0 10 -9,-0.1 2,-0.3 35,-0.1 -9,-0.1 -0.052 34.3-145.1 101.4 158.7 17.7 -3.2 -9.5 76 76 B K - 0 0 93 -11,-0.3 2,-0.1 33,-0.1 33,-0.1 -0.987 9.8-128.4-162.0 147.4 19.6 -0.3 -8.1 77 77 B S > - 0 0 5 -2,-0.3 3,-0.9 31,-0.2 33,-0.1 -0.423 29.9-111.6 -91.0 164.5 19.9 3.5 -8.6 78 78 B I T 3 S+ 0 0 27 31,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.603 107.9 73.8 -69.3 -9.2 22.9 5.6 -9.2 79 79 B Y T 3 S- 0 0 74 2,-0.4 -1,-0.2 30,-0.1 3,-0.1 0.565 106.8-113.4 -86.5 -5.5 22.4 7.2 -5.8 80 80 B G S < S+ 0 0 80 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.481 94.2 37.1 89.1 5.3 23.5 4.3 -3.6 81 81 B E S S- 0 0 147 27,-0.1 -2,-0.4 28,-0.1 -1,-0.2 -0.954 103.4 -72.5-172.9 163.7 20.0 3.8 -2.2 82 82 B K - 0 0 98 -2,-0.3 2,-0.3 -3,-0.1 27,-0.2 -0.459 56.0-141.1 -68.9 154.4 16.4 3.9 -3.4 83 83 B F B -G 108 0A 2 25,-2.1 25,-2.2 1,-0.1 3,-0.1 -0.765 13.7 -87.5-122.7 167.9 15.3 7.5 -4.0 84 84 B E - 0 0 86 -2,-0.3 2,-0.9 23,-0.2 -1,-0.1 -0.142 41.9-100.8 -64.7 150.8 12.2 9.6 -3.6 85 85 B D - 0 0 21 1,-0.2 -1,-0.1 -53,-0.0 3,-0.1 -0.719 37.6-155.9 -69.1 109.7 9.3 10.1 -5.9 86 86 B E - 0 0 55 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.929 57.6 -44.5 -59.1 -55.6 10.5 13.5 -7.3 87 87 B N - 0 0 38 -3,-0.1 -1,-0.2 41,-0.1 41,-0.2 -0.966 34.9-132.8-163.9 176.0 7.0 14.6 -8.3 88 88 B F + 0 0 86 -2,-0.3 39,-0.0 39,-0.1 38,-0.0 -0.305 64.7 122.5-127.8 43.6 3.8 13.4 -10.1 89 89 B I + 0 0 110 39,-0.1 2,-0.2 -61,-0.1 -1,-0.1 0.903 59.8 67.0 -77.1 -40.6 3.5 16.4 -12.3 90 90 B L S S- 0 0 44 38,-0.3 38,-0.4 -3,-0.1 2,-0.3 -0.531 77.9-140.4 -86.9 145.0 3.6 14.4 -15.6 91 91 B K - 0 0 132 -2,-0.2 2,-1.8 32,-0.1 3,-0.1 -0.723 21.9-111.4-108.6 162.7 0.7 12.1 -16.5 92 92 B H + 0 0 1 -2,-0.3 27,-0.6 1,-0.2 30,-0.1 -0.587 52.9 158.6 -85.9 82.2 0.2 8.7 -18.0 93 93 B T - 0 0 98 -2,-1.8 -1,-0.2 1,-0.1 25,-0.1 0.579 52.7 -47.9 -89.0 -8.7 -1.5 10.1 -21.1 94 94 B G S > S- 0 0 8 23,-0.3 3,-1.4 -3,-0.1 23,-0.3 -0.995 84.0 -18.9 162.4 180.0 -0.9 7.4 -23.7 95 95 B P T 3 S+ 0 0 78 0, 0.0 21,-0.2 0, 0.0 23,-0.1 -0.294 114.3 33.7 -61.1 143.0 1.3 4.9 -25.4 96 96 B G T 3 S+ 0 0 4 19,-3.0 36,-2.0 1,-0.3 20,-0.1 0.211 76.4 141.9 98.6 -9.5 5.1 5.6 -25.2 97 97 B I E < -H 131 0A 16 -3,-1.4 18,-2.2 34,-0.2 2,-0.5 -0.383 40.9-147.4 -65.7 134.8 5.1 7.1 -21.7 98 98 B L E +HI 130 114A 0 32,-2.7 31,-2.5 16,-0.2 32,-1.6 -0.946 27.4 168.3-110.2 125.2 8.2 6.0 -19.6 99 99 B S E -HI 128 113A 0 14,-2.0 14,-2.2 -2,-0.5 29,-0.3 -0.957 36.5 -93.6-140.6 154.9 7.6 5.7 -15.9 100 100 B M E - 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0 0 8 -3,-2.1 -1,-0.2 -46,-0.2 84,-0.2 -0.352 35.8-133.4 -64.4 142.7 12.7 -26.3 9.3 379 48 D T > - 0 0 0 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.447 31.8-102.9 -83.4 165.3 11.0 -29.3 7.7 380 49 D P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.908 125.4 55.7 -61.1 -35.2 8.4 -31.1 9.6 381 50 D Q H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.955 107.9 48.4 -59.1 -43.4 10.9 -33.8 10.4 382 51 D D H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 109.9 52.7 -57.0 -43.7 13.2 -31.1 11.9 383 52 D L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.935 109.1 47.9 -63.6 -43.2 10.4 -29.7 13.9 384 53 D N H X S+ 0 0 35 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.893 107.6 56.5 -65.4 -37.4 9.5 -33.2 15.4 385 54 D T H X S+ 0 0 52 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.941 108.6 48.8 -53.8 -43.8 13.3 -33.8 16.2 386 55 D M H >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.949 114.5 43.9 -65.5 -45.0 13.2 -30.5 18.2 387 56 D L H >< S+ 0 0 15 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.881 110.2 55.0 -66.0 -39.8 10.0 -31.5 20.1 388 57 D N H 3< S+ 0 0 137 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.538 98.1 65.1 -76.3 -3.1 11.2 -35.1 20.7 389 58 D T T << S+ 0 0 47 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.2 0.595 74.2 108.1 -88.6 -12.5 14.4 -33.8 22.4 390 59 D V < - 0 0 20 -3,-1.3 2,-0.4 -4,-0.3 -35,-0.1 -0.538 60.0-151.2 -73.0 122.2 12.5 -32.2 25.3 391 60 D G - 0 0 64 -2,-0.4 2,-0.1 -36,-0.1 -2,-0.1 -0.786 60.5 -5.6 -91.4 138.0 13.0 -34.2 28.6 392 61 D G S S+ 0 0 33 -2,-0.4 5,-0.1 1,-0.1 -2,-0.0 -0.431 82.3 102.6 78.2-159.2 10.2 -34.2 31.2 393 62 D H > + 0 0 56 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 0.853 41.4 159.5 47.8 44.3 7.1 -32.0 30.8 394 63 D Q H > + 0 0 138 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.883 68.4 52.0 -67.7 -39.2 5.2 -35.0 29.7 395 64 D A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.957 112.5 46.4 -58.0 -50.0 1.8 -33.4 30.6 396 65 D A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.908 110.3 52.5 -60.6 -44.4 2.7 -30.4 28.5 397 66 D M H X S+ 0 0 33 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.846 109.4 49.4 -65.7 -35.7 4.0 -32.5 25.6 398 67 D Q H X S+ 0 0 106 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.907 109.3 52.0 -65.9 -45.2 0.7 -34.5 25.4 399 68 D M H X S+ 0 0 64 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.930 111.4 49.0 -51.3 -45.4 -1.2 -31.2 25.5 400 69 D L H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.920 109.7 48.9 -62.5 -48.7 0.9 -30.1 22.6 401 70 D K H X S+ 0 0 103 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.916 109.8 53.0 -59.5 -41.8 0.4 -33.2 20.6 402 71 D E H X S+ 0 0 102 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.909 109.7 49.0 -62.1 -42.1 -3.3 -33.0 21.1 403 72 D T H X S+ 0 0 9 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.883 111.0 48.7 -63.0 -38.7 -3.3 -29.4 19.8 404 73 D I H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.905 110.1 53.7 -66.7 -35.6 -1.3 -30.4 16.8 405 74 D N H X S+ 0 0 76 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.909 105.8 51.4 -69.9 -40.4 -3.7 -33.2 16.2 406 75 D E H X S+ 0 0 90 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.898 111.4 48.8 -57.2 -43.0 -6.8 -30.9 16.3 407 76 D E H X S+ 0 0 57 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.911 108.9 51.7 -71.3 -34.6 -5.1 -28.6 13.7 408 77 D A H X S+ 0 0 12 -4,-2.4 4,-1.8 2,-0.2 24,-0.3 0.936 111.9 47.1 -61.1 -48.9 -4.3 -31.6 11.4 409 78 D A H X S+ 0 0 59 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.867 111.9 50.2 -61.6 -44.4 -8.0 -32.7 11.6 410 79 D E H X S+ 0 0 69 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.899 107.2 54.9 -63.0 -38.9 -9.2 -29.2 10.9 411 80 D W H X S+ 0 0 41 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.929 110.1 46.2 -58.0 -43.2 -6.8 -29.0 7.9 412 81 D D H >< S+ 0 0 52 -4,-1.8 3,-0.5 2,-0.2 -1,-0.2 0.909 108.9 55.4 -65.4 -43.1 -8.3 -32.1 6.4 413 82 D R H 3< S+ 0 0 155 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 116.1 38.4 -56.8 -38.4 -11.9 -30.8 7.1 414 83 D L H 3< S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.508 116.3 51.0 -93.0 -7.8 -11.0 -27.7 5.1 415 84 D H S << S- 0 0 80 -4,-1.1 -1,-0.2 -3,-0.5 3,-0.1 -0.682 76.1-161.6-130.5 79.5 -9.0 -29.3 2.3 416 85 D P - 0 0 53 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.261 31.3-100.5 -63.8 146.3 -10.9 -32.2 0.8 417 86 D V - 0 0 65 -179,-0.1 2,-0.5 -5,-0.1 -149,-0.0 -0.455 30.7-142.4 -67.9 143.5 -8.8 -34.7 -1.2 418 87 D H - 0 0 74 -2,-0.1 -180,-0.2 -3,-0.1 11,-0.2 -0.944 26.3-110.0-104.6 122.2 -8.9 -34.4 -5.0 419 88 D A - 0 0 13 -182,-3.4 -151,-0.2 -2,-0.5 -180,-0.1 -0.310 50.4-160.3 -58.1 144.8 -8.9 -37.7 -7.0 420 89 D G - 0 0 17 -153,-2.2 2,-0.2 2,-0.0 -1,-0.0 0.167 54.6-179.4 -86.8-163.7 -5.6 -38.3 -8.9 421 90 D P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 -195,-0.1 0.251 50.7-128.4 -79.0 156.9 -3.6 -39.5 -11.1 422 91 D I - 0 0 79 -2,-0.2 3,-0.1 4,-0.1 6,-0.1 -0.706 17.5-136.2 -84.8 118.5 -0.4 -37.8 -10.2 423 92 D A > - 0 0 5 -2,-0.6 3,-2.4 1,-0.1 -198,-0.0 -0.376 36.1 -90.2 -66.8 147.4 1.4 -36.1 -13.1 424 93 D P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.379 119.1 25.8 -61.7 140.7 5.1 -36.5 -13.4 425 94 D G T 3 S+ 0 0 71 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.179 107.8 100.4 88.2 -16.2 6.8 -33.6 -11.4 426 95 D Q < - 0 0 55 -3,-2.4 2,-0.3 25,-0.1 -1,-0.3 -0.517 58.2-149.1 -99.9 169.2 3.7 -33.3 -9.2 427 96 D M - 0 0 57 -2,-0.2 -4,-0.1 -3,-0.1 17,-0.0 -0.971 28.4 -94.1-133.1 149.3 3.0 -34.5 -5.8 428 97 D R - 0 0 77 -2,-0.3 3,-0.0 1,-0.1 -1,-0.0 -0.156 53.6 -94.8 -51.4 155.1 -0.1 -35.6 -4.0 429 98 D E - 0 0 128 -11,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.528 48.4-106.7 -78.0 137.8 -1.8 -32.8 -2.0 430 99 D P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.473 30.4-151.6 -66.7 138.0 -0.6 -32.9 1.7 431 100 D R >> - 0 0 63 -2,-0.2 4,-1.7 1,-0.1 3,-0.5 -0.630 35.1 -96.8 -91.8 166.7 -3.0 -34.2 4.3 432 101 D G H 3> S+ 0 0 0 -24,-0.3 4,-1.9 1,-0.2 3,-0.2 0.883 126.8 53.2 -37.2 -55.4 -2.9 -33.1 8.0 433 102 D S H 34>S+ 0 0 42 1,-0.2 5,-2.0 2,-0.2 6,-1.0 0.821 107.5 52.0 -57.9 -37.9 -0.9 -36.2 8.9 434 103 D D H X45S+ 0 0 1 -3,-0.5 3,-0.9 5,-0.2 -1,-0.2 0.859 106.8 50.8 -63.4 -40.3 1.6 -35.3 6.2 435 104 D I H 3<5S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.852 109.8 51.6 -69.9 -36.0 2.2 -31.7 7.4 436 105 D A T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.525 117.0-117.0 -80.9 0.3 2.7 -33.0 10.9 437 106 D G T < 5S+ 0 0 20 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.500 84.5 113.0 83.3 5.9 5.3 -35.5 9.5 438 107 D T S - 0 0 81 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.496 31.1-105.5 -89.7 168.6 8.7 -38.9 4.3 442 111 D L H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.852 121.0 56.2 -63.2 -37.9 11.5 -36.3 4.4 443 112 D Q H > S+ 0 0 134 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 107.7 46.3 -64.3 -40.5 11.7 -36.5 0.6 444 113 D E H > S+ 0 0 50 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.943 112.0 52.7 -63.0 -43.9 8.0 -35.7 0.1 445 114 D Q H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.922 111.7 45.0 -54.7 -45.7 8.4 -32.8 2.7 446 115 D I H X S+ 0 0 16 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.915 111.2 56.6 -63.1 -41.7 11.3 -31.5 0.6 447 116 D G H X S+ 0 0 19 -4,-2.7 4,-0.6 -5,-0.2 -2,-0.2 0.927 112.1 39.0 -54.6 -50.5 9.2 -32.1 -2.4 448 117 D W H >< S+ 0 0 4 -4,-3.1 7,-2.0 1,-0.2 3,-1.3 0.959 116.1 50.7 -67.2 -47.4 6.4 -29.9 -1.1 449 118 D M H 3< S+ 0 0 31 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.756 116.9 40.7 -69.3 -19.5 8.6 -27.2 0.4 450 119 D T H 3< S+ 0 0 53 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.364 88.4 110.2-108.6 6.1 10.7 -26.8 -2.9 451 120 D H S << S- 0 0 61 -3,-1.3 -25,-0.1 -4,-0.6 -3,-0.0 -0.197 76.3 -99.3 -68.2 168.8 7.8 -27.0 -5.5 452 121 D N S S+ 0 0 139 1,-0.5 -3,-0.0 2,-0.1 -2,-0.0 -0.781 123.3 30.5-137.8 99.3 6.9 -23.9 -7.5 453 122 D P S S- 0 0 93 0, 0.0 -1,-0.5 0, 0.0 -2,-0.1 0.187 112.8-133.9 -79.3 140.1 4.5 -22.7 -6.2 454 123 D P - 0 0 76 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.292 7.7-145.5 -62.4 137.3 5.7 -24.1 -2.8 455 124 D I - 0 0 49 -7,-2.0 2,-2.2 -8,-0.2 3,-0.2 -0.928 22.8-147.1 -99.4 106.4 3.4 -25.9 -0.4 456 125 D P > + 0 0 41 0, 0.0 4,-2.6 0, 0.0 3,-0.2 -0.356 35.5 159.3 -83.7 68.3 5.0 -24.6 2.8 457 126 D V H > S+ 0 0 0 -2,-2.2 4,-2.4 1,-0.3 5,-0.2 0.755 73.9 56.4 -60.9 -33.6 4.4 -27.6 5.1 458 127 D G H > S+ 0 0 3 -3,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.960 110.8 42.3 -54.6 -53.6 7.2 -26.4 7.4 459 128 D E H > S+ 0 0 131 -3,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.926 115.2 49.8 -67.2 -40.9 5.6 -23.0 8.0 460 129 D I H X S+ 0 0 7 -4,-2.6 4,-1.7 2,-0.2 3,-0.3 0.951 113.4 45.6 -64.5 -48.7 2.1 -24.5 8.3 461 130 D Y H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.900 109.4 55.0 -60.9 -44.8 3.3 -27.1 10.9 462 131 D K H X S+ 0 0 22 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.882 104.9 54.6 -52.9 -40.2 5.3 -24.6 12.8 463 132 D R H X S+ 0 0 86 -4,-1.9 4,-2.0 -3,-0.3 -2,-0.2 0.922 109.2 48.3 -58.9 -46.2 2.0 -22.4 13.1 464 133 D W H X S+ 0 0 10 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.903 112.1 48.2 -61.4 -46.5 0.3 -25.4 14.6 465 134 D I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.912 109.2 52.6 -62.0 -46.1 3.1 -26.0 17.0 466 135 D I H X S+ 0 0 28 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.866 108.4 51.0 -63.1 -33.9 3.2 -22.4 18.1 467 136 D L H X S+ 0 0 36 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.904 110.0 50.9 -62.4 -43.8 -0.5 -22.5 18.8 468 137 D G H >X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 3,-0.6 0.865 109.8 48.9 -61.0 -42.0 0.2 -25.6 20.9 469 138 D L H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.936 105.6 57.5 -64.9 -42.9 2.9 -23.8 22.8 470 139 D N H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.622 111.9 44.3 -60.9 -19.3 0.6 -20.8 23.4 471 140 D K H X< S+ 0 0 73 -4,-0.6 3,-1.4 -3,-0.6 4,-0.3 0.823 113.2 46.1 -83.6 -52.9 -1.8 -23.2 25.1 472 141 D I H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 4,-0.3 0.771 96.0 73.7 -69.7 -23.1 0.7 -25.3 27.2 473 142 D V G >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -1,-0.3 0.676 79.3 77.5 -64.6 -12.0 2.5 -22.2 28.5 474 143 D R G X S+ 0 0 43 -3,-1.4 3,-1.8 1,-0.2 -1,-0.2 0.941 87.7 57.3 -57.1 -45.8 -0.6 -21.6 30.7 475 144 D M G < S+ 0 0 84 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.653 114.9 38.4 -55.1 -18.4 0.7 -24.4 33.0 476 145 D Y G < 0 0 60 -3,-1.1 -1,-0.3 -113,-0.3 -2,-0.2 0.089 360.0 360.0-122.2 18.6 3.9 -22.2 33.4 477 146 D S < 0 0 111 -3,-1.8 -3,-0.2 -113,-0.1 -2,-0.1 0.991 360.0 360.0 56.0 360.0 2.4 -18.7 33.5 478 !* 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 0.0 479 11 E V 0 0 158 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.2 -22.6 -12.1 -1.6 480 12 E H - 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