==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-APR-10 3MTV . COMPND 2 MOLECULE: PAPAIN-LIKE CYSTEINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PORCINE REPRODUCTIVE AND RESPIRATORY S . AUTHOR F.XUE,Y.N.SUN,L.M.YAN,C.ZHAO,Z.Y.LOU,Z.H.RAO . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 22.3 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 19 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 1 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 . 1 2 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 A 0 0 125 0, 0.0 2,-0.2 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 173.5 59.6 65.6 45.1 2 2 A D - 0 0 92 13,-0.1 12,-2.0 2,-0.0 2,-0.4 -0.909 360.0-153.8-171.3 154.2 60.8 68.2 47.8 3 3 A V E +A 13 0A 38 -2,-0.2 2,-0.3 10,-0.2 29,-0.3 -0.950 9.9 179.6-153.0 130.4 63.8 70.7 48.2 4 4 A Y E -A 12 0A 33 8,-2.1 8,-2.4 -2,-0.4 2,-0.3 -0.940 32.0-118.9-135.1 145.0 65.9 72.4 50.9 5 5 A D E +Ab 11 33A 26 27,-2.1 29,-1.0 -2,-0.3 6,-0.2 -0.669 31.3 178.5 -74.0 133.9 68.8 74.8 51.3 6 6 A I E - 0 0 11 4,-1.7 5,-0.2 1,-0.4 -1,-0.1 0.186 39.6-107.5-132.6 11.6 71.5 72.9 53.3 7 7 A G E > S+A 10 0A 26 3,-0.6 3,-2.5 35,-0.0 -1,-0.4 -0.153 87.0 66.6 95.1 174.6 74.2 75.3 53.5 8 8 A R T 3 S- 0 0 117 1,-0.3 3,-0.1 -3,-0.1 -1,-0.0 0.739 125.3 -51.4 37.5 44.2 77.6 75.9 52.0 9 9 A G T 3 S+ 0 0 44 1,-0.3 15,-2.2 14,-0.1 -1,-0.3 0.352 113.1 96.3 90.7 -4.7 76.3 76.5 48.5 10 10 A A E < -AC 7 23A 0 -3,-2.5 -4,-1.7 13,-0.3 -3,-0.6 -0.616 47.2-160.7-111.4 177.9 74.1 73.5 47.9 11 11 A V E -AC 5 22A 6 11,-2.4 11,-1.9 -6,-0.2 2,-0.4 -0.947 16.5-136.3-146.3 170.9 70.6 72.3 48.1 12 12 A M E -AC 4 21A 0 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.3 -0.981 3.1-149.5-142.8 139.9 69.1 68.9 48.3 13 13 A Y E -AC 3 20A 113 7,-2.1 7,-2.2 -2,-0.4 2,-0.3 -0.834 15.7-169.1-109.3 148.8 66.3 67.2 46.7 14 14 A V E + C 0 19A 28 -12,-2.0 2,-0.2 -2,-0.3 5,-0.2 -1.000 22.8 134.8-144.4 141.1 64.3 64.4 48.4 15 15 A A E > S+ C 0 18A 49 3,-2.2 3,-0.7 -2,-0.3 2,-0.3 -0.789 70.0 5.9 174.5 117.3 61.7 61.9 47.2 16 16 A G T 3 S- 0 0 76 -2,-0.2 40,-0.0 1,-0.2 0, 0.0 -0.642 120.7 -58.3 84.3-156.1 61.4 58.2 48.0 17 17 A G T 3 S+ 0 0 56 -2,-0.3 40,-0.8 -3,-0.1 2,-0.3 0.249 120.4 111.7 -98.9 15.1 64.1 57.3 50.5 18 18 A K E < -CD 15 56A 122 -3,-0.7 -3,-2.2 38,-0.2 2,-0.3 -0.620 47.1-179.6 -95.7 147.7 66.1 58.7 47.6 19 19 A V E -CD 14 55A 12 36,-1.5 36,-1.9 -2,-0.3 2,-0.3 -0.939 9.8-179.0-154.2 150.6 68.1 62.0 47.7 20 20 A S E -CD 13 54A 11 -7,-2.2 -7,-2.1 -2,-0.3 2,-0.3 -0.991 12.5-146.8-147.2 156.6 70.3 64.3 45.6 21 21 A W E +C 12 0A 12 32,-0.5 31,-2.5 -2,-0.3 -9,-0.2 -0.958 15.1 174.2-129.9 172.2 72.2 67.5 46.0 22 22 A A E -C 11 0A 4 -11,-1.9 -11,-2.4 -2,-0.3 -2,-0.0 -0.965 41.6 -79.6-159.2 161.0 73.0 70.3 43.6 23 23 A P E -C 10 0A 75 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.283 39.7-126.6 -72.7 165.1 74.6 73.7 43.8 24 24 A R - 0 0 71 -15,-2.2 2,-0.3 1,-0.3 -14,-0.1 0.991 32.1-148.4 -80.0 -57.2 72.4 76.6 45.0 25 25 A G - 0 0 58 -16,-0.2 -1,-0.3 4,-0.1 -16,-0.0 -0.900 46.1 -14.3 113.0-158.0 72.7 79.1 42.4 26 26 A G S > S- 0 0 35 -2,-0.3 3,-3.3 1,-0.1 0, 0.0 -0.077 79.2 -84.9 -77.9 179.6 72.6 82.8 43.0 27 27 A N T 3 S+ 0 0 134 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.547 123.5 66.6 -65.7 -7.2 71.4 84.8 46.0 28 28 A E T 3 S+ 0 0 164 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 0.662 76.0 94.1 -85.8 -21.1 67.9 84.5 44.7 29 29 A V < + 0 0 26 -3,-3.3 2,-0.3 1,-0.1 -4,-0.1 -0.624 53.1 152.6 -76.9 117.9 67.9 80.9 45.2 30 30 A K + 0 0 154 -2,-0.7 2,-0.2 -6,-0.1 -1,-0.1 -0.731 9.5 160.5-154.7 90.0 66.3 80.6 48.7 31 31 A F - 0 0 102 -2,-0.3 -27,-0.1 1,-0.2 -26,-0.1 -0.595 48.0 -70.4-104.5 179.8 64.4 77.7 49.9 32 32 A E - 0 0 151 -29,-0.3 -27,-2.1 -2,-0.2 -1,-0.2 -0.168 56.6-113.1 -58.7 144.1 63.4 76.3 53.3 33 33 A P B -b 5 0A 92 0, 0.0 -27,-0.2 0, 0.0 -1,-0.1 -0.381 42.8 -71.8 -89.9 179.8 66.1 74.9 55.3 34 34 A V - 0 0 14 -29,-1.0 2,-0.9 1,-0.1 5,-0.1 -0.505 38.8-122.2 -77.4 130.5 66.6 71.4 56.2 35 35 A P - 0 0 51 0, 0.0 2,-4.7 0, 0.0 -1,-0.1 -0.006 32.9-128.1 -52.0 10.8 64.3 70.0 58.8 36 36 A K S S+ 0 0 167 -2,-0.9 4,-0.4 1,-0.3 3,-0.2 -0.001 104.3 84.3 60.8 -41.8 67.2 69.0 61.1 37 37 A E S S+ 0 0 176 -2,-4.7 -1,-0.3 1,-0.2 4,-0.1 0.277 106.9 31.0 -52.6 -2.3 65.6 65.5 61.1 38 38 A L S > S+ 0 0 50 2,-0.1 4,-2.1 -4,-0.1 -1,-0.2 0.397 83.4 103.6-143.7 -4.4 67.7 65.5 58.0 39 39 A K H > S+ 0 0 110 -3,-0.2 4,-1.7 2,-0.2 5,-0.2 0.784 86.6 57.5 -52.6 -19.6 70.6 67.8 58.6 40 40 A L H > S+ 0 0 99 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.994 103.2 46.1 -74.7 -78.7 72.4 64.5 59.0 41 41 A V H > S+ 0 0 35 2,-0.2 4,-1.3 3,-0.2 5,-0.3 0.710 110.6 58.8 -19.1 -41.9 71.6 63.2 55.7 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.4 0.978 109.0 40.9 -60.2 -79.7 72.6 66.6 54.3 43 43 A N H X S+ 0 0 67 -4,-1.7 4,-2.0 2,-0.2 5,-0.3 0.764 116.5 52.1 -26.5 -46.8 76.1 66.6 55.6 44 44 A R H X S+ 0 0 83 -4,-2.6 4,-2.8 2,-0.2 3,-0.4 0.983 115.8 38.9 -59.4 -81.0 76.4 62.9 54.7 45 45 A L H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.784 118.6 44.8 -16.2 -66.5 75.3 63.4 51.1 46 46 A H H < S+ 0 0 9 -4,-3.1 -1,-0.2 -5,-0.3 -3,-0.2 0.911 115.2 48.5 -71.8 -33.4 77.0 66.6 50.4 47 47 A T H < S+ 0 0 29 -4,-2.0 25,-0.4 -5,-0.4 -2,-0.2 0.886 122.7 29.0 -71.9 -38.5 80.2 65.6 52.0 48 48 A S H < S+ 0 0 0 -4,-2.8 23,-2.3 -5,-0.3 24,-0.2 0.814 110.9 51.7-103.7 -18.8 80.5 62.3 50.3 49 49 A F S < S- 0 0 0 -4,-2.0 23,-0.1 -5,-0.3 3,-0.1 -0.497 76.1-106.6-109.5 171.3 78.9 62.2 46.9 50 50 A P > - 0 0 8 0, 0.0 3,-1.4 0, 0.0 -29,-0.3 -0.804 47.2 -88.2 -96.8 161.5 79.0 64.3 43.8 51 51 A P T 3 S+ 0 0 29 0, 0.0 -29,-0.2 0, 0.0 3,-0.1 -0.055 104.8 23.8 -56.0 141.5 76.1 66.7 42.8 52 52 A H T 3 S+ 0 0 121 -31,-2.5 2,-0.5 1,-0.2 -30,-0.1 0.409 89.3 119.1 89.9 0.8 73.3 65.4 40.7 53 53 A H < - 0 0 3 -3,-1.4 -32,-0.5 -32,-0.2 2,-0.3 -0.912 55.9-140.1-102.2 141.8 73.6 61.9 41.6 54 54 A V E -D 20 0A 67 -2,-0.5 2,-0.3 97,-0.2 -34,-0.2 -0.693 23.4-180.0 -94.5 138.4 70.7 60.2 43.3 55 55 A V E -D 19 0A 7 -36,-1.9 -36,-1.5 -2,-0.3 2,-1.0 -0.989 35.6-134.8-141.8 143.1 71.3 57.7 46.2 56 56 A D E > -D 18 0A 48 -2,-0.3 3,-2.1 -38,-0.2 4,-0.3 -0.813 27.7-159.1 -92.3 97.0 69.3 55.5 48.6 57 57 A M G > S+ 0 0 23 -2,-1.0 3,-0.5 -40,-0.8 -1,-0.1 0.574 84.3 67.7 -69.5 -3.1 71.3 56.5 51.7 58 58 A S G 3 S+ 0 0 76 -41,-0.2 -1,-0.3 1,-0.2 -40,-0.0 0.867 90.2 63.6 -70.6 -40.6 70.2 53.3 53.5 59 59 A K G < S+ 0 0 129 -3,-2.1 2,-0.2 2,-0.0 -1,-0.2 0.530 100.3 64.6 -62.9 -3.8 72.2 51.3 51.1 60 60 A F S < S- 0 0 15 -3,-0.5 2,-0.4 -4,-0.3 20,-0.0 -0.776 74.3-134.8-119.7 166.3 75.4 52.9 52.4 61 61 A T - 0 0 89 -2,-0.2 2,-0.2 20,-0.1 23,-0.1 -0.958 17.2-156.9-131.4 136.0 77.2 52.9 55.6 62 62 A F - 0 0 37 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.603 8.0-174.1-115.5 166.9 78.6 56.1 57.4 63 63 A I - 0 0 70 16,-0.4 5,-0.1 -2,-0.2 4,-0.1 -0.859 49.0 -43.4-157.2 178.0 81.4 56.5 60.0 64 64 A T > - 0 0 107 -2,-0.3 3,-1.0 3,-0.2 4,-0.1 -0.250 67.2 -98.2 -73.8 138.1 82.6 59.4 61.8 65 65 A P T 3 S+ 0 0 110 0, 0.0 14,-0.2 0, 0.0 -1,-0.1 -0.144 107.6 19.1 -31.0 127.9 83.1 62.8 60.0 66 66 A G T 3 S+ 0 0 58 12,-1.1 13,-0.2 -3,-0.1 -2,-0.1 0.551 112.4 77.5 84.2 18.4 86.8 63.5 59.0 67 67 A S S < S+ 0 0 61 -3,-1.0 12,-0.2 11,-0.8 2,-0.2 0.037 84.6 58.9-148.1 2.8 87.8 59.8 59.2 68 68 A G E S-E 78 0B 12 10,-1.1 10,-1.2 -5,-0.1 2,-0.4 -0.491 83.1 -80.7-128.1-157.8 86.4 58.2 56.1 69 69 A V E -EF 77 80B 45 11,-2.4 10,-1.1 8,-0.3 11,-0.5 -0.912 29.2-149.6-123.1 139.8 86.6 58.5 52.4 70 70 A S - 0 0 1 6,-0.6 -22,-0.1 -2,-0.4 -21,-0.1 -0.782 17.4-152.8-103.8 148.2 84.9 60.8 49.8 71 71 A M S S+ 0 0 23 -23,-2.3 2,-0.8 -2,-0.3 -22,-0.1 0.482 72.8 106.5 -86.3 -2.4 83.8 60.3 46.1 72 72 A R S > S- 0 0 12 -25,-0.4 3,-2.0 -24,-0.2 -2,-0.1 -0.640 70.9-143.7 -81.2 111.6 84.3 64.1 45.7 73 73 A V T 3 S+ 0 0 110 -2,-0.8 -1,-0.1 1,-0.3 45,-0.1 0.715 100.8 49.1 -32.8 -43.1 87.4 65.1 43.8 74 74 A E T 3 S+ 0 0 127 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.822 98.2 79.5 -62.7 -37.6 87.8 68.2 46.2 75 75 A Y < - 0 0 72 -3,-2.0 -5,-0.3 1,-0.2 -3,-0.1 -0.669 48.5-178.5-104.3 113.8 87.5 66.3 49.4 76 76 A Q S S+ 0 0 152 -2,-0.6 -6,-0.6 1,-0.2 2,-0.5 0.945 77.2 39.8 -72.4 -42.9 90.3 64.3 50.9 77 77 A Y E +E 69 0B 143 -8,-0.2 -8,-0.3 1,-0.1 -1,-0.2 -0.926 64.8 153.8-118.5 135.5 88.3 62.9 53.9 78 78 A G E -E 68 0B 1 -10,-1.2 -10,-1.1 -2,-0.5 -12,-1.1 0.170 49.5-102.1-125.8-129.7 84.7 61.8 53.8 79 79 A C S S+ 0 0 6 -10,-1.1 -16,-0.4 -12,-0.2 -9,-0.1 -0.136 74.6 117.4-164.0 28.0 82.7 59.3 56.0 80 80 A L B S-F 69 0B 0 -11,-0.5 -11,-2.4 -18,-0.2 2,-0.6 -0.927 70.4-119.0-108.4 135.2 82.6 56.4 53.8 81 81 A P > - 0 0 14 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.549 23.1-139.1 -51.8 111.2 84.1 53.1 54.7 82 82 A A G > S+ 0 0 62 -2,-0.6 3,-1.0 1,-0.3 -14,-0.0 0.854 98.8 76.6 -50.2 -33.8 86.7 52.7 52.0 83 83 A D G 3 S+ 0 0 156 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.745 99.9 51.8 -32.9 -22.7 85.7 48.9 51.8 84 84 A T G < S+ 0 0 25 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.577 99.0 53.2-115.8 -9.6 82.7 50.5 49.9 85 85 A V S < S- 0 0 24 -3,-1.0 -15,-0.0 -4,-0.3 -14,-0.0 -0.811 94.4 -85.7-117.2 159.6 83.7 52.9 47.1 86 86 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.236 24.7-142.9 -70.9 156.9 86.1 52.0 44.2 87 87 A E - 0 0 156 -4,-0.1 33,-0.2 32,-0.1 32,-0.1 0.655 43.1-111.8-100.3 -10.3 89.8 52.4 44.8 88 88 A G S S+ 0 0 8 31,-0.1 29,-0.2 30,-0.1 3,-0.2 0.507 97.0 87.7 107.6 8.1 90.4 53.6 41.4 89 89 A N > + 0 0 45 1,-0.1 3,-0.9 31,-0.1 4,-0.4 -0.057 42.0 116.1-118.5 20.3 92.4 50.6 40.0 90 90 A C T 3 + 0 0 10 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.612 66.3 71.7 -74.6 0.4 89.6 48.5 38.8 91 91 A W T > S+ 0 0 4 111,-0.3 3,-1.0 1,-0.2 4,-0.3 0.734 73.8 80.5 -90.4 -20.6 90.9 48.9 35.2 92 92 A W G X S+ 0 0 95 -3,-0.9 3,-3.5 1,-0.2 -1,-0.2 0.851 76.4 73.4 -42.3 -45.0 94.0 46.8 35.7 93 93 A R G > S+ 0 0 82 -3,-0.4 3,-2.1 -4,-0.4 -1,-0.2 0.928 86.7 65.8 -43.9 -47.5 91.9 43.8 35.2 94 94 A L G < S+ 0 0 4 -3,-1.0 3,-0.3 -4,-0.3 -1,-0.3 0.729 98.8 51.1 -45.2 -22.8 91.8 44.7 31.6 95 95 A L G < S+ 0 0 4 -3,-3.5 3,-0.5 -4,-0.3 -1,-0.3 -0.078 75.3 117.6-106.8 31.0 95.6 44.1 31.3 96 96 A D < + 0 0 97 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.886 66.6 58.1 -72.4 -30.8 95.3 40.8 32.8 97 97 A S S S+ 0 0 87 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.736 90.3 90.4 -76.6 -20.9 96.5 39.0 29.8 98 98 A L S S- 0 0 19 -3,-0.5 5,-0.1 1,-0.1 -3,-0.0 -0.202 88.5 -89.1 -74.6 166.1 99.8 40.8 29.6 99 99 A P > - 0 0 63 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.416 39.8-111.4 -66.5 154.0 103.0 39.8 31.3 100 100 A P H > S+ 0 0 92 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.831 114.4 52.1 -49.7 -59.3 103.6 41.1 34.8 101 101 A E H > S+ 0 0 104 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.934 113.4 49.0 -50.9 -46.5 106.4 43.5 34.1 102 102 A V H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 108.2 49.3 -66.7 -42.0 104.3 44.9 31.5 103 103 A Q H X S+ 0 0 47 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.954 115.0 48.0 -56.5 -47.4 101.1 45.3 33.6 104 104 A Y H >X S+ 0 0 132 -4,-3.3 4,-2.5 -5,-0.2 3,-0.7 0.926 107.0 53.4 -66.7 -34.1 103.3 46.9 36.1 105 105 A K H 3X S+ 0 0 114 -4,-3.1 4,-2.8 1,-0.3 -1,-0.2 0.947 110.9 49.9 -65.2 -35.4 105.0 49.3 33.6 106 106 A E H 3X S+ 0 0 12 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.3 0.760 109.5 50.6 -62.9 -28.8 101.6 50.3 32.6 107 107 A I H X S+ 0 0 122 -4,-2.5 4,-1.5 1,-0.2 3,-0.5 0.947 107.8 59.9 -45.4 -53.7 103.6 53.0 36.8 109 109 A H H >X S+ 0 0 51 -4,-2.8 4,-1.4 1,-0.3 3,-0.6 0.861 102.3 49.2 -51.7 -43.2 102.8 54.9 33.7 110 110 A A H 3< S+ 0 0 0 -4,-1.3 6,-0.6 1,-0.3 -1,-0.3 0.874 107.9 53.5 -74.2 -30.7 99.4 55.9 34.8 111 111 A N H << S+ 0 0 82 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.750 101.5 60.2 -67.9 -22.5 100.8 57.1 38.0 112 112 A Q H << S+ 0 0 152 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.795 110.8 46.5 -63.3 -40.9 103.3 59.2 35.9 113 113 A F S < S- 0 0 103 -4,-1.4 3,-0.3 -5,-0.2 -3,-0.0 0.011 119.2 -91.6 -71.4-161.7 100.1 60.8 34.5 114 114 A G S S+ 0 0 56 1,-0.2 2,-4.2 -2,-0.0 -1,-0.1 0.945 95.1 104.5 -77.9 -69.9 97.6 61.8 37.2 115 115 A Y + 0 0 47 1,-0.2 2,-2.8 -3,-0.1 -4,-0.2 0.094 41.8 93.9 23.4 -32.7 95.5 58.7 37.3 116 116 A Q S S+ 0 0 110 -2,-4.2 -1,-0.2 -6,-0.6 2,-0.2 -0.223 73.1 120.7 -82.8 55.8 96.6 56.9 40.3 117 117 A T S > S- 0 0 47 -2,-2.8 3,-0.9 3,-0.4 4,-0.0 -0.501 85.7 -99.9-107.5 172.5 93.7 58.7 41.7 118 118 A K T 3 S+ 0 0 69 1,-0.2 3,-0.1 -2,-0.2 -29,-0.1 0.604 120.2 56.1 -78.5 -4.8 90.5 57.6 43.3 119 119 A H T 3 S- 0 0 55 1,-0.4 2,-0.3 -31,-0.1 -1,-0.2 0.435 98.7-142.6-104.5 -0.5 88.7 58.1 40.0 120 120 A G < - 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