==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 10-APR-12 4EL1 . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.WANG,W.LI,J.REN,H.KE,W.GONG,W.FENG,C.-C.WANG . 904 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 583 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 94 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 5 3 2 2 1 5 4 2 3 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 7 3 2 2 2 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 . 1 6 2 1 4 4 0 0 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 6 2 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 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 18 A D 0 0 188 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 31.3 32.9 -21.6 62.5 2 19 A A + 0 0 106 2,-0.0 2,-0.2 0, 0.0 3,-0.1 -0.193 360.0 135.3-121.4 39.7 36.4 -20.2 62.1 3 20 A P - 0 0 63 0, 0.0 8,-0.0 0, 0.0 0, 0.0 -0.590 66.9 -84.5 -89.7 151.7 36.1 -18.9 58.5 4 21 A E + 0 0 100 -2,-0.2 7,-1.1 7,-0.1 2,-0.3 -0.255 67.3 143.1 -54.2 133.9 37.3 -15.4 57.4 5 22 A E E -A 10 0A 70 5,-0.3 2,-0.4 -3,-0.1 5,-0.3 -0.972 39.7-139.5-169.5 157.8 34.7 -12.7 58.1 6 23 A E E > S-A 9 0A 90 3,-4.2 3,-1.7 -2,-0.3 -2,-0.0 -0.984 83.8 -16.8-132.8 123.1 34.3 -9.1 59.2 7 24 A D T 3 S- 0 0 122 -2,-0.4 43,-0.2 1,-0.3 -1,-0.1 0.886 132.6 -48.5 54.4 40.1 31.6 -7.9 61.5 8 25 A H T 3 S+ 0 0 75 1,-0.2 2,-0.5 42,-0.1 54,-0.5 0.648 117.2 123.3 70.4 15.8 29.8 -11.1 60.9 9 26 A V E < -Ab 6 62A 2 -3,-1.7 -3,-4.2 52,-0.1 54,-0.2 -0.946 64.2-124.0-112.4 120.1 30.3 -10.6 57.1 10 27 A L E -Ab 5 63A 7 52,-2.8 54,-2.1 -2,-0.5 2,-0.8 -0.381 13.3-138.3 -65.5 127.1 32.1 -13.4 55.3 11 28 A V E - b 0 64A 18 -7,-1.1 2,-0.5 52,-0.2 54,-0.1 -0.781 26.8-160.8 -84.2 109.9 35.2 -12.4 53.4 12 29 A L + 0 0 8 52,-2.2 54,-0.4 -2,-0.8 2,-0.2 -0.827 14.9 178.6-102.9 125.8 34.9 -14.3 50.1 13 30 A R > - 0 0 109 -2,-0.5 4,-1.1 52,-0.1 3,-0.2 -0.451 47.8-100.2-102.0-176.1 37.8 -15.0 47.7 14 31 A K T 4 S+ 0 0 112 1,-0.2 4,-0.3 -2,-0.2 -2,-0.0 0.601 119.9 61.6 -81.2 -9.2 37.6 -16.9 44.5 15 32 A S T 4 S+ 0 0 100 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.751 116.0 26.0 -87.3 -25.5 39.1 -19.9 46.3 16 33 A N T >> S+ 0 0 37 -3,-0.2 4,-1.8 2,-0.1 3,-1.5 0.552 91.0 100.7-113.4 -10.8 36.2 -20.3 48.8 17 34 A F H 3X S+ 0 0 7 -4,-1.1 4,-1.3 1,-0.3 3,-0.5 0.858 89.1 40.0 -48.8 -55.1 33.3 -18.8 47.0 18 35 A A H 3> S+ 0 0 68 -4,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.636 110.5 61.7 -72.3 -14.5 31.7 -22.0 45.9 19 36 A E H <> S+ 0 0 144 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.827 107.4 43.0 -77.0 -34.3 32.5 -23.5 49.2 20 37 A A H X S+ 0 0 10 -4,-1.8 4,-0.7 -3,-0.5 -2,-0.2 0.712 107.1 63.2 -80.3 -23.2 30.3 -20.9 50.9 21 38 A L H < S+ 0 0 10 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.886 112.4 34.6 -65.4 -39.8 27.7 -21.4 48.2 22 39 A A H < S+ 0 0 72 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.832 116.5 53.3 -84.1 -35.6 27.3 -25.0 49.3 23 40 A A H < S+ 0 0 61 -4,-1.6 2,-0.4 1,-0.2 -1,-0.2 0.527 112.7 49.0 -79.1 -5.8 27.8 -24.4 53.0 24 41 A H < - 0 0 41 -4,-0.7 67,-0.3 1,-0.1 3,-0.3 -0.932 59.7-168.1-139.1 115.5 25.1 -21.7 53.0 25 42 A K S S+ 0 0 105 -2,-0.4 65,-2.3 1,-0.3 2,-0.5 0.759 89.6 40.7 -75.3 -25.0 21.7 -22.1 51.5 26 43 A Y E S+C 89 0A 15 33,-0.3 35,-1.9 63,-0.2 2,-0.6 -0.856 75.8 170.1-125.1 98.1 20.9 -18.4 51.7 27 44 A L E -Cd 88 61A 0 61,-2.3 61,-2.9 -2,-0.5 2,-0.7 -0.921 16.9-166.2-116.3 115.4 24.0 -16.3 50.7 28 45 A L E -Cd 87 62A 0 33,-2.2 35,-3.5 -2,-0.6 2,-0.5 -0.884 14.5-167.2 -99.8 115.7 23.8 -12.6 50.2 29 46 A V E -Cd 86 63A 0 57,-3.0 57,-2.7 -2,-0.7 2,-0.6 -0.901 9.7-158.1-112.6 123.4 27.0 -11.4 48.5 30 47 A E E -Cd 85 64A 3 33,-2.8 35,-2.2 -2,-0.5 2,-0.7 -0.872 7.3-153.5 -99.5 117.1 28.0 -7.7 48.2 31 48 A F E +Cd 84 65A 0 53,-3.4 53,-2.0 -2,-0.6 2,-0.3 -0.809 28.9 166.3 -89.5 116.1 30.4 -6.9 45.4 32 49 A Y E - d 0 66A 50 33,-1.9 35,-2.2 -2,-0.7 36,-0.4 -0.918 33.9-145.0-132.0 154.3 32.4 -3.8 46.3 33 50 A A > - 0 0 0 -2,-0.3 3,-3.2 33,-0.2 6,-0.2 -0.990 26.6-128.2-118.7 128.0 35.5 -1.8 45.3 34 51 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 32,-0.0 0.595 108.6 51.6 -52.1 -16.0 37.4 -0.1 48.1 35 52 A W T 3 S+ 0 0 99 4,-0.0 2,-0.2 3,-0.0 5,-0.1 0.589 81.1 112.3 -96.4 -12.5 37.3 3.2 46.2 36 53 A a <> - 0 0 5 -3,-3.2 4,-0.7 1,-0.2 3,-0.1 -0.421 56.9-153.5 -68.9 125.5 33.6 3.2 45.7 37 54 A G H > S+ 0 0 40 -2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.852 94.9 47.9 -65.9 -37.1 31.9 6.0 47.6 38 55 A H H > S+ 0 0 75 492,-0.2 4,-1.2 44,-0.2 -1,-0.2 0.695 105.4 59.4 -78.5 -19.2 28.6 4.2 47.9 39 56 A a H > S+ 0 0 5 -6,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.720 101.9 56.4 -79.1 -18.3 30.3 1.0 48.9 40 57 A K H < S+ 0 0 131 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.820 107.1 46.1 -78.3 -41.1 31.7 2.8 51.9 41 58 A A H X S+ 0 0 66 -4,-0.9 4,-0.5 1,-0.2 -2,-0.2 0.770 114.0 48.4 -76.3 -30.7 28.3 4.0 53.2 42 59 A L H X S+ 0 0 2 -4,-1.2 4,-3.2 1,-0.2 3,-0.3 0.804 94.1 79.1 -79.1 -31.1 26.8 0.5 52.7 43 60 A A H X S+ 0 0 46 -4,-1.2 4,-1.5 1,-0.3 -1,-0.2 0.850 97.7 38.2 -49.3 -49.4 29.6 -1.3 54.5 44 61 A P H > S+ 0 0 80 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.805 119.9 48.8 -76.6 -23.7 28.6 -0.5 58.1 45 62 A E H X S+ 0 0 58 -4,-0.5 4,-1.3 -3,-0.3 -2,-0.2 0.780 109.2 52.9 -79.3 -29.6 24.9 -1.0 57.3 46 63 A Y H X S+ 0 0 2 -4,-3.2 4,-1.0 2,-0.2 -3,-0.2 0.849 113.8 42.8 -71.8 -35.5 25.7 -4.3 55.5 47 64 A A H X S+ 0 0 12 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.806 108.7 58.4 -79.1 -32.4 27.5 -5.5 58.6 48 65 A K H X S+ 0 0 97 -4,-1.4 4,-0.9 1,-0.2 -2,-0.2 0.839 107.2 48.8 -64.1 -33.5 24.8 -4.1 60.9 49 66 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.828 107.6 54.4 -73.9 -33.6 22.3 -6.3 59.0 50 67 A A H X S+ 0 0 8 -4,-1.0 4,-1.2 1,-0.2 -2,-0.2 0.811 106.7 52.0 -70.0 -30.8 24.6 -9.3 59.4 51 68 A G H X S+ 0 0 24 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.783 105.9 53.8 -76.8 -24.7 24.7 -8.9 63.2 52 69 A K H X S+ 0 0 88 -4,-0.9 4,-1.0 2,-0.2 -2,-0.2 0.849 107.5 49.0 -82.7 -31.7 21.0 -8.7 63.5 53 70 A L H X>S+ 0 0 3 -4,-1.4 5,-2.9 2,-0.2 4,-0.6 0.841 110.5 53.7 -68.9 -35.9 20.5 -12.0 61.7 54 71 A K H ><5S+ 0 0 117 -4,-1.2 3,-0.8 1,-0.2 -2,-0.2 0.907 105.1 52.9 -63.6 -43.8 23.2 -13.4 64.0 55 72 A A H 3<5S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.1 47.8 -63.6 -30.7 21.2 -12.2 67.1 56 73 A E H 3<5S- 0 0 101 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.579 115.9-116.4 -86.4 -10.8 18.1 -14.0 65.9 57 74 A G T <<5 + 0 0 60 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.678 53.8 171.5 82.8 19.9 20.1 -17.1 65.2 58 75 A S < - 0 0 37 -5,-2.9 -1,-0.2 -6,-0.2 -5,-0.0 -0.243 35.6-144.7 -64.2 150.0 19.3 -16.9 61.5 59 76 A E + 0 0 130 2,-0.1 -33,-0.3 -35,-0.0 2,-0.3 0.566 66.9 111.2 -91.9 -11.8 21.1 -19.2 59.0 60 77 A I - 0 0 8 -7,-0.1 2,-0.4 -35,-0.1 -33,-0.2 -0.482 55.9-156.2 -66.5 125.6 21.3 -16.6 56.3 61 78 A R E - d 0 27A 39 -35,-1.9 -33,-2.2 -2,-0.3 2,-0.5 -0.874 5.7-147.1-110.0 139.3 24.9 -15.5 55.8 62 79 A L E +bd 9 28A 1 -54,-0.5 -52,-2.8 -2,-0.4 2,-0.3 -0.881 23.9 173.7-104.4 132.5 26.2 -12.2 54.4 63 80 A A E -bd 10 29A 0 -35,-3.5 -33,-2.8 -2,-0.5 2,-0.3 -0.823 13.7-155.9-131.2 170.9 29.4 -12.1 52.3 64 81 A K E -bd 11 30A 32 -54,-2.1 -52,-2.2 -35,-0.3 2,-0.4 -0.974 5.0-149.7-148.0 158.2 31.4 -9.7 50.2 65 82 A V E - d 0 31A 0 -35,-2.2 -33,-1.9 -2,-0.3 2,-1.0 -0.986 16.5-136.5-135.6 123.2 33.9 -9.7 47.4 66 83 A D E >> - d 0 32A 30 -54,-0.4 4,-2.3 -2,-0.4 3,-1.0 -0.678 17.6-162.6 -76.5 104.0 36.7 -7.2 46.7 67 84 A A H 3> S+ 0 0 0 -35,-2.2 4,-0.7 -2,-1.0 7,-0.2 0.765 86.8 58.0 -63.7 -25.8 36.3 -6.8 43.0 68 85 A T H 34 S+ 0 0 39 -36,-0.4 -1,-0.3 2,-0.1 -35,-0.1 0.818 111.5 42.5 -73.4 -24.0 39.8 -5.3 42.7 69 86 A E H <4 S+ 0 0 106 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.915 128.0 24.4 -94.1 -40.3 41.3 -8.3 44.3 70 87 A E H < S+ 0 0 29 -4,-2.3 2,-3.8 1,-0.1 -3,-0.2 0.918 71.8 164.3 -84.4 -52.1 39.4 -11.2 42.5 71 88 A S S X S+ 0 0 30 -4,-0.7 4,-1.2 -5,-0.4 3,-0.3 -0.109 70.6 64.7 66.5 -48.5 38.5 -9.3 39.3 72 89 A D H > S+ 0 0 58 -2,-3.8 4,-1.1 1,-0.2 -1,-0.3 0.626 96.1 59.0 -75.1 -12.7 37.7 -12.6 37.6 73 90 A L H 4 S+ 0 0 18 2,-0.2 -1,-0.2 1,-0.2 6,-0.1 0.669 106.5 46.0 -91.7 -16.4 34.8 -13.1 40.1 74 91 A A H >4>S+ 0 0 3 -3,-0.3 5,-1.8 -7,-0.2 3,-0.8 0.757 111.5 53.0 -86.5 -30.8 33.2 -9.9 39.0 75 92 A Q H ><5S+ 0 0 80 -4,-1.2 3,-1.0 1,-0.2 -2,-0.2 0.843 103.3 57.7 -69.7 -33.4 33.7 -10.9 35.4 76 93 A Q T 3<5S+ 0 0 158 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.413 109.5 44.4 -82.7 4.6 32.0 -14.2 36.0 77 94 A Y T < 5S- 0 0 43 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.161 107.2-115.8-131.1 17.0 28.8 -12.5 37.2 78 95 A G T < 5 - 0 0 43 -3,-1.0 -3,-0.2 1,-0.2 395,-0.1 0.752 45.8-174.4 55.9 28.1 28.4 -9.8 34.7 79 96 A V < - 0 0 6 -5,-1.8 469,-0.2 1,-0.1 -1,-0.2 -0.322 12.6-170.5 -60.9 126.9 28.8 -7.2 37.4 80 97 A R - 0 0 66 1,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.313 56.8 -35.6-119.7 48.8 28.2 -3.7 36.0 81 98 A G S S- 0 0 0 3,-0.1 -1,-0.2 451,-0.1 451,-0.2 -0.679 83.2 -29.5 127.3-179.1 29.4 -1.4 38.8 82 99 A Y S S+ 0 0 0 449,-2.4 451,-0.3 -2,-0.2 -44,-0.2 -0.986 103.5 25.2-140.3 143.2 29.4 -1.1 42.6 83 100 A P S S+ 0 0 5 0, 0.0 2,-0.4 0, 0.0 -51,-0.2 0.507 72.1 173.4 -79.8 152.3 28.0 -2.0 44.9 84 101 A T E -C 31 0A 4 -53,-2.0 -53,-3.4 -2,-0.1 2,-0.6 -0.964 10.8-165.4-125.8 118.8 26.4 -5.0 43.4 85 102 A I E -CE 30 99A 6 14,-0.5 14,-3.0 -2,-0.4 2,-0.4 -0.866 6.7-177.2-112.1 120.3 24.4 -7.3 45.7 86 103 A K E -CE 29 98A 23 -57,-2.7 -57,-3.0 -2,-0.6 2,-0.5 -0.915 15.5-145.8-118.5 140.6 23.4 -10.8 44.6 87 104 A F E -CE 28 97A 3 10,-3.0 10,-1.8 -2,-0.4 2,-0.6 -0.909 12.6-159.7-109.4 126.4 21.3 -13.4 46.5 88 105 A F E -C 27 0A 0 -61,-2.9 -61,-2.3 -2,-0.5 2,-0.5 -0.905 2.2-163.5-112.6 118.3 22.1 -17.1 46.1 89 106 A R E > S-C 26 0A 35 -2,-0.6 3,-2.3 6,-0.4 -63,-0.2 -0.860 77.4 -12.3 -99.4 127.0 19.6 -19.8 46.9 90 107 A N T 3 S- 0 0 73 -65,-2.3 -1,-0.2 -2,-0.5 -65,-0.2 0.684 118.7 -70.4 62.1 23.6 20.9 -23.3 47.4 91 108 A G T 3 S+ 0 0 19 -67,-0.3 2,-0.8 -66,-0.3 -1,-0.3 0.724 87.5 159.5 66.0 25.1 24.2 -22.3 46.0 92 109 A D < - 0 0 64 -3,-2.3 -3,-0.4 -67,-0.2 3,-0.3 -0.714 24.3-176.0 -85.5 111.5 22.6 -22.0 42.6 93 110 A T S S+ 0 0 77 -2,-0.8 -1,-0.2 1,-0.2 -3,-0.1 0.497 76.6 69.8 -83.5 -4.3 24.8 -19.8 40.4 94 111 A A S S+ 0 0 76 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 0.805 107.0 30.6 -84.3 -32.2 22.2 -20.0 37.6 95 112 A S S S+ 0 0 82 -3,-0.3 2,-0.5 -6,-0.2 -6,-0.4 -0.549 70.6 164.1-129.9 69.9 19.5 -17.9 39.3 96 113 A P - 0 0 36 0, 0.0 2,-0.5 0, 0.0 -8,-0.2 -0.765 31.2-138.2 -86.4 125.9 20.9 -15.2 41.6 97 114 A K E -E 87 0A 80 -10,-1.8 -10,-3.0 -2,-0.5 2,-0.3 -0.717 16.6-132.9 -83.5 128.7 18.4 -12.5 42.6 98 115 A E E -E 86 0A 58 -2,-0.5 2,-0.5 -12,-0.2 -12,-0.2 -0.617 12.8-131.1 -83.1 133.3 19.9 -9.0 42.5 99 116 A Y E +E 85 0A 10 -14,-3.0 -14,-0.5 -2,-0.3 -1,-0.0 -0.743 36.5 161.5 -85.0 123.2 19.2 -6.9 45.5 100 117 A T + 0 0 110 -2,-0.5 -1,-0.1 -16,-0.1 3,-0.1 0.110 40.2 95.6-130.6 20.7 17.9 -3.5 44.4 101 118 A A S S- 0 0 52 1,-0.3 7,-0.1 6,-0.0 6,-0.0 -0.052 83.1 -37.8 -96.9-159.8 16.2 -2.0 47.4 102 119 A G - 0 0 30 1,-0.1 -1,-0.3 5,-0.1 -2,-0.0 -0.167 44.4-138.4 -62.7 156.9 17.3 0.3 50.2 103 120 A R + 0 0 93 4,-0.1 2,-0.3 -3,-0.1 -58,-0.1 0.068 66.2 108.5-111.5 24.0 20.8 0.1 51.6 104 121 A E S >> S- 0 0 83 1,-0.1 4,-1.8 -58,-0.0 3,-0.7 -0.675 81.4-111.6 -92.0 155.3 20.0 0.5 55.3 105 122 A A H 3> S+ 0 0 1 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.879 115.6 52.5 -57.1 -42.3 20.4 -2.5 57.6 106 123 A D H 3> S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.806 108.0 52.0 -66.9 -28.8 16.6 -2.8 58.2 107 124 A D H <> S+ 0 0 67 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.941 109.7 47.6 -71.5 -48.9 15.8 -2.8 54.5 108 125 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.899 112.2 49.6 -59.0 -42.5 18.2 -5.5 53.7 109 126 A V H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.932 109.2 49.5 -66.2 -46.9 17.0 -7.8 56.5 110 127 A N H X S+ 0 0 79 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.782 109.6 54.6 -64.2 -26.2 13.3 -7.5 55.7 111 128 A W H < S+ 0 0 40 -4,-1.4 3,-0.3 2,-0.2 -1,-0.2 0.887 108.8 47.3 -72.7 -40.8 14.1 -8.3 52.1 112 129 A L H >X S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 4,-0.7 0.904 106.3 57.6 -66.8 -39.3 15.9 -11.5 53.0 113 130 A K H 3< S+ 0 0 98 -4,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.743 101.1 56.6 -66.6 -26.4 13.2 -12.7 55.3 114 131 A K T 3< S+ 0 0 180 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.457 117.4 32.0 -86.1 -2.5 10.6 -12.6 52.6 115 132 A R T <4 S+ 0 0 59 -3,-1.7 2,-0.2 -4,-0.2 -2,-0.2 0.235 100.1 87.6-141.2 14.0 12.5 -14.9 50.3 116 133 A T < + 0 0 35 -4,-0.7 -90,-0.0 -3,-0.2 -27,-0.0 -0.675 62.8 55.9-105.5 170.3 14.4 -17.3 52.6 117 134 A G S S- 0 0 21 -2,-0.2 -3,-0.0 2,-0.0 0, 0.0 -0.222 103.0 -25.7 91.1 169.3 13.1 -20.5 54.0 118 135 A P - 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0 0 91 18,-0.2 2,-1.6 1,-0.1 -1,-0.2 -0.413 48.1-135.5 -64.8 128.7 22.2 31.1 74.4 892 461 B R + 0 0 93 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.245 67.3 113.8 -81.2 49.5 25.8 31.6 75.2 893 462 B T S > S- 0 0 58 -2,-1.6 4,-2.2 1,-0.1 3,-0.3 -0.759 80.7-112.2-116.6 164.7 25.0 33.9 78.1 894 463 B L H > S+ 0 0 55 -2,-0.3 4,-1.3 1,-0.2 5,-0.2 0.811 118.8 54.8 -64.5 -26.9 25.4 33.6 81.9 895 464 B D H > S+ 0 0 108 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.803 110.9 43.1 -77.5 -30.0 21.7 33.5 82.2 896 465 B G H > S+ 0 0 5 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.807 108.7 58.0 -82.2 -31.6 21.4 30.6 79.8 897 466 B F H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.847 109.8 44.5 -65.3 -35.1 24.3 28.7 81.3 898 467 B K H X S+ 0 0 77 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.883 108.7 53.9 -79.8 -40.9 22.7 28.6 84.7 899 468 B K H X S+ 0 0 100 -4,-1.1 4,-0.6 1,-0.2 6,-0.2 0.853 113.6 46.6 -58.5 -34.7 19.2 27.6 83.6 900 469 B F H <>S+ 0 0 0 -4,-1.5 5,-1.9 2,-0.1 7,-0.4 0.865 115.4 44.0 -74.9 -39.2 20.9 24.7 81.8 901 470 B L H ><5S+ 0 0 5 -4,-1.5 3,-1.3 1,-0.2 -2,-0.2 0.882 111.0 50.4 -77.6 -40.8 23.1 23.7 84.8 902 471 B E H 3<5S+ 0 0 123 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.692 108.5 54.9 -73.0 -17.9 20.6 23.9 87.6 903 472 B S T ><5S- 0 0 38 -4,-0.6 3,-1.5 -5,-0.3 -1,-0.3 0.318 117.2-114.3 -94.3 6.3 18.2 21.8 85.6 904 473 B G T < 5 - 0 0 34 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.617 66.1 -64.9 71.5 12.9 20.8 19.1 85.2 905 474 B G T 3