==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 05-DEC-00 1HN0 . COMPND 2 MOLECULE: CHONDROITIN ABC LYASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS VULGARIS; . AUTHOR W.HUANG,M.CYGLER . 971 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 667 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 249 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 83 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 2 1 3 2 0 2 1 0 1 0 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 8 6 6 0 9 8 3 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 2 2 1 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 25 A A 0 0 8 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 151.5 70.4 114.0 33.5 2 26 A T - 0 0 42 2,-0.3 4,-0.0 1,-0.0 14,-0.0 -0.715 360.0-101.1-127.6-179.2 70.8 115.9 36.8 3 27 A S S S+ 0 0 129 -2,-0.2 -1,-0.0 2,-0.0 0, 0.0 0.584 92.0 93.2 -80.1 -11.1 73.5 117.9 38.7 4 28 A N S S- 0 0 59 1,-0.1 -2,-0.3 61,-0.1 3,-0.1 -0.466 86.5 -95.4 -83.7 155.6 74.3 115.0 41.0 5 29 A P > - 0 0 25 0, 0.0 3,-0.5 0, 0.0 62,-0.3 -0.221 46.9 -92.4 -63.7 154.9 77.1 112.5 40.4 6 30 A A B 3 S+a 67 0A 0 60,-2.7 62,-2.5 1,-0.2 9,-0.1 -0.512 115.5 24.2 -64.2 137.7 76.4 109.2 38.6 7 31 A F T 3 S- 0 0 9 7,-0.5 -1,-0.2 159,-0.2 5,-0.2 0.943 90.1-174.2 70.6 53.7 75.6 106.6 41.3 8 32 A D B X -B 11 0B 23 3,-0.6 3,-2.6 -3,-0.5 6,-0.3 -0.685 30.7-128.2 -95.2 134.0 74.6 109.2 44.0 9 33 A P T 3 S+ 0 0 108 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.631 105.5 66.0 -60.8 -24.4 73.8 108.1 47.6 10 34 A K T 3 S- 0 0 137 1,-0.3 2,-0.1 2,-0.1 -2,-0.0 0.842 135.1 -3.6 -57.8 -38.0 70.3 109.8 47.7 11 35 A N B X +B 8 0B 47 -3,-2.6 3,-1.3 3,-0.1 -3,-0.6 -0.595 67.6 175.8-154.1 90.9 69.5 107.2 45.1 12 36 A L T 3 S+ 0 0 41 -3,-0.5 -5,-0.2 1,-0.2 -4,-0.1 0.857 87.3 56.3 -58.8 -36.0 72.4 105.0 44.0 13 37 A M T 3 S+ 0 0 15 -4,-0.1 2,-0.7 65,-0.1 -1,-0.2 0.441 82.8 104.4 -77.8 -0.8 69.9 103.0 41.9 14 38 A Q S < S- 0 0 28 -3,-1.3 -7,-0.5 -6,-0.3 -6,-0.3 -0.746 70.6-134.2 -88.9 114.1 68.8 106.1 40.0 15 39 A S - 0 0 1 -2,-0.7 2,-0.6 253,-0.5 259,-0.4 -0.378 2.5-137.7 -68.9 142.7 70.4 106.2 36.5 16 40 A E E -C 166 0C 3 150,-1.6 150,-2.3 -2,-0.1 2,-0.5 -0.930 29.3-171.6 -97.0 118.8 72.0 109.3 35.0 17 41 A I E -C 165 0C 0 -2,-0.6 2,-1.1 148,-0.2 148,-0.2 -0.957 24.1-157.0-121.1 121.2 70.9 109.5 31.4 18 42 A Y E +C 164 0C 8 146,-3.6 146,-1.5 -2,-0.5 145,-0.3 -0.783 39.9 141.7 -91.9 91.0 72.1 111.9 28.6 19 43 A H - 0 0 0 -2,-1.1 30,-0.4 144,-0.2 29,-0.2 0.286 56.3-132.9-111.0 1.8 69.1 111.8 26.3 20 44 A F S S+ 0 0 7 5,-0.2 2,-0.4 1,-0.2 -2,-0.1 0.453 71.2 120.4 61.5 6.6 69.3 115.5 25.4 21 45 A A + 0 0 34 28,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.295 62.8 69.8 -95.3 48.4 65.6 116.1 25.9 22 46 A Q S S- 0 0 49 -2,-0.4 2,-0.1 0, 0.0 0, 0.0 -0.903 92.3 -70.9-148.5 179.1 66.3 118.8 28.6 23 47 A N S S+ 0 0 144 -2,-0.3 4,-0.1 1,-0.2 -3,-0.1 -0.436 113.2 20.8 -87.4 152.1 67.7 122.3 28.9 24 48 A N S > S- 0 0 130 -2,-0.1 3,-3.4 2,-0.1 4,-0.4 0.898 80.8-175.3 56.9 47.3 71.3 123.2 28.4 25 49 A P T 3 S+ 0 0 50 0, 0.0 3,-0.3 0, 0.0 -5,-0.2 0.753 77.4 31.6 -49.5 -38.0 71.4 119.9 26.6 26 50 A L T > S+ 0 0 44 1,-0.2 3,-2.1 2,-0.1 -2,-0.1 0.099 81.2 117.7-108.2 20.3 75.2 120.0 26.0 27 51 A A T < S+ 0 0 67 -3,-3.4 -1,-0.2 1,-0.3 -3,-0.1 0.890 81.8 46.5 -48.6 -45.6 76.1 122.0 29.2 28 52 A D T 3 S+ 0 0 53 -4,-0.4 36,-3.4 -3,-0.3 2,-0.4 0.367 102.5 88.3 -83.3 6.5 78.2 119.0 30.4 29 53 A F E < -H 63 0D 19 -3,-2.1 2,-0.4 34,-0.2 34,-0.2 -0.902 49.4-177.7-113.4 132.3 79.8 118.7 26.9 30 54 A S E -H 62 0D 38 32,-1.9 32,-1.5 -2,-0.4 3,-0.2 -0.946 6.7-168.3-127.2 111.9 82.9 120.4 25.6 31 55 A S + 0 0 43 -2,-0.4 29,-0.2 30,-0.2 -1,-0.1 0.939 37.4 136.3 -62.0 -55.1 83.8 119.6 22.0 32 56 A D > + 0 0 136 2,-0.1 3,-1.5 29,-0.1 -1,-0.2 -0.160 40.5 74.4 45.9-114.8 87.3 121.1 21.9 33 57 A K T 3 S- 0 0 25 1,-0.3 27,-0.6 -3,-0.2 23,-0.2 0.014 126.5 -52.5 -37.9 104.5 89.8 118.9 20.1 34 58 A N T 3 S+ 0 0 117 25,-0.1 22,-0.9 21,-0.1 2,-0.3 0.614 108.6 117.6 31.6 43.4 89.0 119.3 16.4 35 59 A S E < -D 55 0C 14 -3,-1.5 2,-0.4 20,-0.2 20,-0.2 -0.930 50.6-154.2-135.7 157.5 85.2 118.5 16.9 36 60 A I E -D 54 0C 103 18,-1.9 18,-1.8 -2,-0.3 2,-0.6 -1.000 13.6-155.1-132.2 129.4 81.8 120.1 16.4 37 61 A L E +D 53 0C 26 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.921 22.0 160.9-116.1 116.7 78.8 118.9 18.5 38 62 A T E -D 52 0C 63 14,-2.6 14,-2.8 -2,-0.6 2,-0.4 -0.798 35.8-119.9-123.8 164.4 75.3 119.5 17.3 39 63 A L E -D 51 0C 43 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.925 27.0-166.9-102.1 135.2 71.9 118.0 18.0 40 64 A S E -D 50 0C 19 10,-2.8 10,-2.9 -2,-0.4 3,-0.1 -0.931 16.1-164.6-116.5 149.0 70.0 116.3 15.2 41 65 A D S S+ 0 0 115 -2,-0.4 3,-0.1 8,-0.2 -1,-0.1 0.262 73.1 85.2-112.2 9.6 66.3 115.3 15.2 42 66 A K S S+ 0 0 56 1,-0.2 2,-0.3 8,-0.1 -1,-0.1 0.621 101.0 23.7 -83.9 -7.9 66.2 112.9 12.3 43 67 A R S S+ 0 0 0 5,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.979 70.7 148.8-158.0 132.6 67.3 110.0 14.4 44 68 A S - 0 0 4 -2,-0.3 212,-0.3 212,-0.2 3,-0.1 -0.977 34.8-155.0-166.3 160.4 67.2 109.1 18.1 45 69 A I S S+ 0 0 7 1,-0.3 2,-0.4 -2,-0.3 213,-0.3 0.865 91.0 18.8 -97.9 -57.6 66.9 106.4 20.9 46 70 A M S S- 0 0 1 3,-0.2 -1,-0.3 -28,-0.1 3,-0.3 -0.983 126.4 -4.0-118.7 132.1 65.4 108.2 23.9 47 71 A G S S- 0 0 30 -2,-0.4 -27,-0.1 233,-0.4 -3,-0.1 -0.626 101.4 -70.9 84.9-154.5 63.6 111.5 23.4 48 72 A N S S+ 0 0 104 -2,-0.2 2,-0.3 -29,-0.2 -5,-0.2 0.465 105.8 62.0-117.2 -6.2 63.5 113.1 19.9 49 73 A Q - 0 0 64 -30,-0.4 2,-0.3 -3,-0.3 -4,-0.3 -0.877 54.1-166.4-124.4 155.3 67.1 114.2 19.4 50 74 A S E -D 40 0C 0 -10,-2.9 -10,-2.8 -2,-0.3 2,-0.6 -0.898 33.1 -99.3-130.2 163.7 70.5 112.7 19.2 51 75 A L E -DE 39 161C 0 110,-2.5 110,-2.3 -2,-0.3 2,-0.6 -0.756 29.2-155.0 -85.9 117.7 74.1 114.1 19.4 52 76 A L E -DE 38 160C 16 -14,-2.8 -14,-2.6 -2,-0.6 2,-0.6 -0.843 11.1-166.9 -91.7 120.8 75.7 114.6 16.0 53 77 A W E -DE 37 159C 0 106,-3.0 106,-1.8 -2,-0.6 2,-0.3 -0.850 5.7-172.6-117.6 97.2 79.5 114.5 16.4 54 78 A K E +DE 36 158C 85 -18,-1.8 -18,-1.9 -2,-0.6 2,-0.3 -0.687 23.4 159.7 -86.3 141.7 81.7 115.7 13.4 55 79 A W E -DE 35 157C 9 102,-2.2 102,-1.7 -2,-0.3 2,-0.3 -0.957 39.0-128.2-154.4 165.7 85.4 115.1 13.8 56 80 A K E > - E 0 156C 104 -22,-0.9 3,-1.9 -2,-0.3 100,-0.3 -0.912 59.4 -67.4-119.0 154.3 89.0 114.7 12.4 57 81 A G T 3 S+ 0 0 31 98,-1.6 95,-0.3 97,-0.5 3,-0.1 0.006 118.3 7.9 -42.7 132.0 91.3 111.7 13.3 58 82 A G T 3 S+ 0 0 21 93,-1.3 -1,-0.3 92,-0.5 94,-0.2 0.515 98.0 131.3 72.9 6.1 92.5 111.5 16.9 59 83 A S < - 0 0 5 -3,-1.9 91,-2.0 92,-0.3 2,-0.3 -0.432 37.1-162.8 -84.5 163.2 90.2 114.4 17.9 60 84 A S E - I 0 149D 8 -27,-0.6 2,-0.3 89,-0.2 89,-0.2 -0.972 20.3-154.0-147.1 157.2 87.9 114.2 21.0 61 85 A F E - I 0 148D 0 87,-1.8 87,-2.4 -2,-0.3 2,-0.4 -0.902 23.8-137.5-124.4 163.2 84.9 115.5 23.0 62 86 A T E -HI 30 147D 9 -32,-1.5 -32,-1.9 -2,-0.3 2,-0.6 -0.971 9.5-151.5-133.0 134.4 84.3 115.3 26.7 63 87 A L E -HI 29 146D 0 83,-2.7 83,-2.8 -2,-0.4 2,-0.8 -0.922 19.6-151.4 -97.6 118.5 81.4 114.5 29.0 64 88 A H E + I 0 145D 76 -36,-3.4 2,-0.3 -2,-0.6 81,-0.2 -0.844 40.6 135.0 -96.7 104.8 82.0 116.4 32.3 65 89 A K - 0 0 11 79,-2.2 2,-0.2 -2,-0.8 -2,-0.1 -0.890 49.8-129.9-156.9 123.5 80.2 114.3 35.0 66 90 A K - 0 0 130 -2,-0.3 -60,-2.7 78,-0.1 2,-0.4 -0.505 25.0-165.6 -72.4 137.4 81.3 113.2 38.4 67 91 A L B -a 6 0A 14 76,-2.2 2,-0.9 -62,-0.3 -60,-0.2 -0.993 18.5-164.7-126.3 125.6 80.9 109.5 39.1 68 92 A I - 0 0 102 -62,-2.5 -2,-0.0 -2,-0.4 76,-0.0 -0.803 27.8-156.4-101.9 88.2 81.0 107.9 42.5 69 93 A V - 0 0 48 -2,-0.9 -62,-0.1 1,-0.1 -2,-0.1 -0.539 3.2-142.0 -77.7 119.1 81.4 104.4 41.2 70 94 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.341 19.3-110.4 -73.8 154.0 80.3 101.7 43.6 71 95 A T > - 0 0 69 1,-0.1 4,-2.8 13,-0.1 5,-0.3 -0.440 36.5-102.8 -69.6 160.6 82.1 98.4 44.0 72 96 A D H > S+ 0 0 44 1,-0.2 4,-3.2 2,-0.2 11,-0.5 0.914 126.3 53.7 -51.1 -40.4 80.3 95.3 42.7 73 97 A K H > S+ 0 0 173 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.955 109.5 45.1 -57.2 -53.7 79.5 94.6 46.5 74 98 A E H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.922 115.8 47.3 -57.6 -47.6 78.0 98.1 47.1 75 99 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.941 113.0 48.5 -57.4 -50.7 76.0 97.9 43.9 76 100 A S H X>S+ 0 0 27 -4,-3.2 4,-3.3 7,-0.4 5,-0.6 0.893 111.1 50.2 -60.6 -41.1 74.8 94.3 44.7 77 101 A K H <5S+ 0 0 195 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.895 109.9 51.8 -60.3 -42.0 73.8 95.4 48.3 78 102 A A H <5S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.860 122.3 29.3 -65.6 -36.3 71.9 98.3 46.9 79 103 A W H <5S- 0 0 61 -4,-2.0 -2,-0.2 2,-0.3 -3,-0.2 0.908 102.1-120.3 -93.2 -47.3 69.9 96.1 44.4 80 104 A G T <5S+ 0 0 68 -4,-3.3 2,-0.3 1,-0.5 -3,-0.2 0.459 83.7 59.6 116.5 6.3 69.7 92.7 46.1 81 105 A R S - 0 0 106 -2,-0.2 3,-0.9 35,-0.1 37,-0.1 -0.668 57.7 -87.5-113.3-177.3 91.8 117.1 28.3 111 135 A S T 3 S+ 0 0 73 1,-0.2 -2,-0.1 -2,-0.2 -50,-0.0 0.776 126.2 52.1 -62.6 -27.9 93.2 115.8 24.9 112 136 A T T 3 S+ 0 0 117 2,-0.0 -1,-0.2 0, 0.0 -3,-0.1 0.624 90.0 98.1 -86.2 -16.3 96.8 115.8 26.2 113 137 A S < - 0 0 39 -3,-0.9 -4,-0.0 1,-0.1 -7,-0.0 -0.230 49.0-172.4 -66.0 160.3 96.0 113.8 29.3 114 138 A E + 0 0 174 -10,-0.0 -1,-0.1 0, 0.0 3,-0.1 0.648 31.5 153.3-114.6 -73.8 96.6 110.0 29.3 115 139 A A - 0 0 37 1,-0.1 2,-0.6 -11,-0.1 -10,-0.2 0.906 44.2 -39.8 58.2 99.6 95.1 109.0 32.6 116 140 A Q S S- 0 0 130 -12,-0.1 2,-0.3 -10,-0.1 -10,-0.1 -0.482 87.5 -18.6 87.3-103.9 93.5 105.9 34.1 117 141 A A E +J 105 0D 17 -12,-1.3 -12,-2.9 -2,-0.6 2,-0.3 -0.967 52.5 140.6-151.0 154.8 91.2 103.5 32.2 118 142 A G E -JL 104 140D 4 22,-1.2 22,-2.9 -2,-0.3 2,-0.3 -0.962 29.3-118.4-174.8-170.5 88.9 103.2 29.2 119 143 A F E -J 103 0D 7 -16,-2.3 -16,-2.8 -2,-0.3 2,-0.4 -0.947 16.6-116.6-147.7 167.3 87.7 100.9 26.3 120 144 A K E -J 102 0D 99 -2,-0.3 2,-0.5 -18,-0.2 61,-0.4 -0.857 14.5-164.3-111.8 138.5 87.6 100.5 22.5 121 145 A V E -J 101 0D 0 -20,-2.7 -20,-2.5 -2,-0.4 59,-0.2 -0.949 20.2-136.3-122.6 107.6 84.5 100.4 20.2 122 146 A K E -J 100 0D 56 57,-2.8 -22,-0.2 -2,-0.5 -24,-0.1 -0.389 13.0-163.7 -63.3 135.4 85.0 99.1 16.6 123 147 A L + 0 0 0 -24,-2.3 2,-2.3 -26,-0.3 -26,-2.2 0.240 49.4 119.3-107.6 10.9 83.2 101.3 14.1 124 148 A D + 0 0 92 -28,-0.3 2,-0.3 -25,-0.2 -1,-0.1 -0.447 62.6 77.2 -80.2 69.3 83.2 99.0 11.0 125 149 A F - 0 0 13 -2,-2.3 2,-0.3 -30,-0.2 -28,-0.2 -0.958 67.3-128.0-162.0 173.9 79.3 98.8 10.8 126 150 A T + 0 0 70 -2,-0.3 -32,-0.2 -30,-0.1 2,-0.1 -0.937 64.9 24.9-134.9 149.2 76.2 100.7 9.8 127 151 A G E S-G 93 0C 2 -34,-2.7 -34,-1.1 -2,-0.3 2,-0.1 -0.241 101.2 -28.8 89.4-179.8 72.9 101.4 11.7 128 152 A W E +G 92 0C 0 198,-2.0 2,-0.3 -36,-0.2 -36,-0.2 -0.446 57.7 179.9 -69.1 138.3 72.4 101.7 15.5 129 153 A R E -G 91 0C 23 -38,-2.4 -38,-2.0 -2,-0.1 2,-0.4 -0.956 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112.7 48.0 -66.6 -38.4 58.7 94.7 5.4 319 368 A L H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.893 109.0 53.3 -70.4 -39.1 58.9 98.1 7.0 320 369 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.906 110.5 50.4 -58.4 -39.4 58.6 96.5 10.5 321 370 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.916 109.3 48.5 -63.1 -44.3 61.5 94.4 9.4 322 371 A K H X S+ 0 0 80 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.904 112.0 48.5 -67.4 -40.3 63.6 97.3 8.2 323 372 A H H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.947 110.2 53.6 -59.6 -49.3 63.0 99.3 11.5 324 373 A L H <>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 -2,-0.2 0.924 112.2 42.4 -53.8 -52.7 64.0 96.1 13.5 325 374 A L H ><5S+ 0 0 9 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.877 114.0 51.4 -61.0 -39.7 67.3 95.7 11.7 326 375 A D H 3<5S+ 0 0 17 -4,-2.2 -198,-2.0 1,-0.3 -2,-0.2 0.889 98.7 65.4 -70.4 -34.8 68.1 99.4 11.7 327 376 A Q T 3<5S- 0 0 1 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.493 128.8 -97.4 -59.2 -6.0 67.4 99.5 15.5 328 377 A G T < 5S+ 0 0 0 -3,-1.3 2,-1.8 -5,-0.2 -3,-0.2 0.514 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32.3 161.1-138.7 33.7 69.3 89.6 24.7 339 388 A H T 3 + 0 0 14 1,-0.2 -76,-0.2 2,-0.1 -75,-0.1 -0.172 68.1 28.6 -61.3 156.9 69.1 86.8 27.3 340 389 A H T >> S+ 0 0 78 1,-0.1 3,-1.3 -77,-0.1 4,-0.6 0.850 81.4 165.3 51.5 38.4 65.7 85.0 27.3 341 390 A W H X> + 0 0 1 -3,-0.6 4,-1.3 1,-0.3 3,-1.2 0.809 59.9 65.7 -49.2 -40.6 65.7 85.9 23.6 342 391 A G H 3> S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.819 92.9 59.7 -59.0 -34.3 62.9 83.5 22.8 343 392 A Y H <4 S+ 0 0 118 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.792 114.4 37.3 -65.3 -26.7 60.3 85.3 24.9 344 393 A S H << S+ 0 0 3 -3,-1.2 -53,-0.4 -4,-0.6 -1,-0.2 0.640 130.6 25.4 -93.6 -18.8 60.8 88.4 22.7 345 394 A S H >X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.2 3,-1.3 0.425 77.1 110.2-130.1 -5.9 61.3 86.8 19.3 346 395 A R H 3X S+ 0 0 53 -4,-2.1 4,-1.4 1,-0.3 5,-0.1 0.889 89.1 44.4 -49.2 -42.4 59.6 83.4 19.0 347 396 A W H 3> S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.688 104.0 64.4 -82.4 -14.4 57.0 84.8 16.6 348 397 A W H <> S+ 0 0 0 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.959 102.3 49.3 -63.8 -52.7 59.6 86.6 14.6 349 398 A Y H X S+ 0 0 1 -4,-1.8 4,-0.6 1,-0.2 3,-0.5 0.927 113.8 46.3 -48.0 -50.6 61.2 83.3 13.6 350 399 A I H >X S+ 0 0 0 -4,-1.4 3,-1.2 1,-0.2 4,-1.1 0.888 105.6 59.7 -65.8 -38.7 57.7 81.9 12.6 351 400 A S H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.844 95.4 63.3 -60.0 -32.0 56.8 85.0 10.7 352 401 A T H 3< S+ 0 0 1 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.774 97.1 57.4 -67.0 -25.4 59.8 84.5 8.3 353 402 A L H X< S+ 0 0 3 -3,-1.2 3,-1.0 -4,-0.6 4,-0.2 0.938 111.3 42.0 -61.7 -49.5 58.3 81.2 7.1 354 403 A L H 3< S+ 0 0 13 -4,-1.1 3,-0.2 1,-0.2 -2,-0.2 0.823 122.6 39.5 -68.6 -30.4 55.2 83.0 6.0 355 404 A M T 3X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.115 77.9 118.6-108.6 17.6 57.2 85.9 4.6 356 405 A S H <> S+ 0 0 9 -3,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.895 80.2 42.5 -53.8 -48.0 60.0 83.9 3.0 357 406 A D H > S+ 0 0 104 -4,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.912 113.3 52.4 -69.3 -43.8 59.2 85.1 -0.6 358 407 A A H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.889 109.2 49.8 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73.8 65.0 24.0 389 438 A A T 3 S+ 0 0 36 1,-0.3 3,-0.3 -2,-0.3 -2,-0.1 0.721 128.8 48.2 -53.5 -26.3 72.5 63.9 27.4 390 439 A D T > S+ 0 0 95 1,-0.2 3,-1.2 -9,-0.1 -1,-0.3 0.388 81.9 96.0 -97.8 4.3 70.7 67.2 27.6 391 440 A S T < + 0 0 1 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.608 69.3 70.1 -75.6 -11.3 69.0 67.2 24.2 392 441 A S T 3 + 0 0 2 49,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.224 68.0 156.4 -91.5 14.0 65.7 65.8 25.3 393 442 A D <> - 0 0 50 -3,-1.2 4,-1.2 1,-0.2 58,-0.1 -0.101 34.4-154.5 -35.2 115.4 64.9 69.1 27.1 394 443 A L H > S+ 0 0 6 56,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.798 91.8 56.8 -77.0 -26.5 61.1 69.2 27.4 395 444 A D H > S+ 0 0 40 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.905 101.3 57.4 -73.6 -38.0 61.0 73.0 27.5 396 445 A Y H >>S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 5,-1.8 0.918 103.9 53.2 -49.9 -48.5 62.9 73.2 24.1 397 446 A F H <5S+ 0 0 2 -4,-1.2 5,-0.3 3,-0.2 4,-0.3 0.936 116.4 40.2 -58.5 -44.8 60.1 71.1 22.6 398 447 A N H <5S+ 0 0 33 -4,-1.7 4,-0.2 1,-0.1 -2,-0.2 0.994 129.2 21.5 -59.0 -66.2 57.6 73.6 23.9 399 448 A T H <5S+ 0 0 29 -4,-3.1 -3,-0.2 1,-0.1 -2,-0.2 0.576 133.0 18.0 -92.6 -13.2 59.2 77.0 23.4 400 449 A L T X5S+ 0 0 19 -4,-2.2 4,-2.7 -5,-0.4 -3,-0.2 0.569 88.1 91.4-135.7 -20.3 61.9 76.6 20.6 401 450 A S H > S+ 0 0 4 -5,-0.3 4,-2.4 -4,-0.2 -1,-0.2 0.819 114.7 54.2 -74.9 -30.1 59.5 75.1 15.7 403 452 A Q H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.890 106.6 51.9 -65.5 -40.4 61.5 78.3 15.9 404 453 A H H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.946 111.6 46.4 -59.5 -52.1 64.7 76.2 15.4 405 454 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.911 110.9 53.0 -55.9 -46.8 63.2 74.6 12.2 406 455 A A H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.909 108.2 50.6 -57.0 -44.8 62.0 78.0 11.0 407 456 A L H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.936 110.6 48.7 -55.8 -51.9 65.5 79.4 11.3 408 457 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.877 107.7 54.6 -57.1 -42.6 67.0 76.4 9.4 409 458 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.685 101.5 61.0 -68.4 -15.5 64.5 76.8 6.6 410 459 A L T << S+ 0 0 3 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.561 72.5 119.0 -89.4 -8.8 65.5 80.5 6.2 411 460 A E < - 0 0 17 -3,-1.4 6,-0.1 -4,-0.5 -45,-0.1 -0.423 61.1-143.5 -56.6 125.7 69.1 79.6 5.3 412 461 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.842 74.4 80.3 -65.4 -40.1 69.7 81.0 1.8 413 462 A D S > S- 0 0 77 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.550 70.3-145.9 -76.6 134.2 71.9 78.3 0.3 414 463 A D H > S+ 0 0 67 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.913 96.8 45.5 -64.0 -48.8 70.0 75.2 -1.0 415 464 A Q H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.909 115.6 47.2 -63.1 -45.2 72.7 72.6 -0.1 416 465 A K H > S+ 0 0 123 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.905 110.8 52.4 -61.9 -42.9 73.3 74.1 3.4 417 466 A R H X S+ 0 0 14 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.927 111.5 46.5 -60.4 -45.1 69.5 74.3 4.0 418 467 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.931 112.2 50.5 -63.3 -45.0 69.2 70.6 3.1 419 468 A N H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2 -225,-0.4 0.931 112.5 48.1 -53.2 -48.2 72.2 69.7 5.3 420 469 A L H X S+ 0 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