==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUL-09 3ICV . COMPND 2 MOLECULE: LIPASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ANTARCTICA; . AUTHOR J.R.HORTON,Z.QIAN,D.JIA,S.LUTZ,X.CHENG . 288 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 3 1 1 1 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 3 0 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 6 A G 0 0 115 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.2 -6.7 146.8 33.9 2 7 A P - 0 0 133 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.306 360.0-166.8 -70.2 156.5 -5.3 149.9 32.0 3 8 A K + 0 0 199 -2,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.998 12.5 169.6-149.4 144.2 -1.9 149.6 30.2 4 9 A Q - 0 0 126 -2,-0.3 3,-0.0 2,-0.1 0, 0.0 -0.914 38.1-119.8-145.3 170.2 0.6 152.0 28.6 5 10 A N S S+ 0 0 157 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 0.127 88.8 46.5-104.5 22.5 4.1 151.9 27.2 6 11 A a S S- 0 0 47 3,-0.0 17,-0.1 19,-0.0 -2,-0.1 -0.986 85.8 -98.6-155.9 158.1 5.7 154.5 29.5 7 12 A E - 0 0 119 15,-0.3 17,-2.7 -2,-0.3 3,-0.1 -0.642 51.9-100.1 -80.5 135.9 5.9 155.4 33.2 8 13 A P - 0 0 83 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.129 43.8 -98.8 -52.4 147.9 3.6 158.2 34.3 9 14 A D - 0 0 65 14,-0.1 2,-0.2 1,-0.1 13,-0.0 -0.371 39.6-111.7 -67.1 149.1 5.1 161.7 34.6 10 15 A L - 0 0 51 -3,-0.1 -1,-0.1 1,-0.1 5,-0.1 -0.550 33.3-108.9 -79.8 147.8 6.0 162.7 38.1 11 16 A M >> - 0 0 118 -2,-0.2 3,-1.9 1,-0.1 4,-1.5 -0.369 37.5 -99.2 -71.6 158.3 4.0 165.5 39.6 12 17 A P T 34 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.840 120.9 59.2 -46.7 -42.4 5.8 168.9 40.0 13 18 A Y T 34 S+ 0 0 181 1,-0.2 4,-0.0 2,-0.1 -3,-0.0 0.751 114.5 36.8 -63.0 -21.5 6.6 168.4 43.7 14 19 A A T X4 S+ 0 0 23 -3,-1.9 3,-1.9 1,-0.1 -1,-0.2 0.674 90.9 83.7-106.4 -20.9 8.5 165.2 42.9 15 20 A R G >< S+ 0 0 113 -4,-1.5 3,-2.2 1,-0.3 -2,-0.1 0.842 80.9 65.8 -58.0 -33.7 10.4 165.8 39.6 16 21 A P G 3 S+ 0 0 50 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.770 100.5 56.3 -58.9 -17.2 13.4 167.5 41.1 17 22 A F G < S+ 0 0 158 -3,-1.9 -2,-0.2 1,-0.2 178,-0.1 0.400 106.3 46.3 -94.4 2.0 14.1 164.2 42.8 18 23 A A S X S+ 0 0 23 -3,-2.2 3,-2.1 -4,-0.2 10,-0.3 -0.048 70.7 163.4-133.9 35.1 14.2 162.1 39.6 19 24 A V T 3 S+ 0 0 24 -3,-0.5 10,-0.2 174,-0.3 3,-0.1 -0.277 70.2 23.8 -55.3 132.6 16.5 164.1 37.3 20 25 A G T 3 S+ 0 0 35 8,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.270 94.4 116.4 96.0 -13.8 17.7 161.9 34.4 21 26 A K < - 0 0 138 -3,-2.1 7,-2.8 7,-0.1 2,-0.5 -0.629 62.8-121.6 -90.3 150.8 14.9 159.3 34.6 22 27 A R E +A 27 0A 166 -2,-0.2 -15,-0.3 5,-0.2 5,-0.2 -0.795 34.8 163.5-100.2 127.1 12.5 158.8 31.7 23 28 A T E > -A 26 0A 11 3,-2.6 3,-2.4 -2,-0.5 -14,-0.1 -0.656 59.7 -72.8-122.8-177.7 8.7 159.1 31.9 24 29 A a T 3 S+ 0 0 55 -17,-2.7 3,-0.1 1,-0.3 -2,-0.0 0.824 132.0 49.5 -47.7 -39.9 6.0 159.5 29.3 25 30 A S T 3 S- 0 0 101 1,-0.3 2,-0.3 -19,-0.0 -1,-0.3 0.572 121.2-101.6 -78.7 -7.9 7.0 163.1 28.5 26 31 A G E < -A 23 0A 15 -3,-2.4 -3,-2.6 2,-0.0 2,-0.3 -0.838 69.3 -9.0 123.4-163.0 10.7 162.2 28.2 27 32 A I E S-A 22 0A 104 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.574 71.1-116.8 -75.5 129.7 13.8 162.5 30.4 28 33 A V - 0 0 20 -7,-2.8 -8,-3.0 -10,-0.3 2,-0.1 -0.524 35.8-152.8 -68.3 120.5 13.3 164.6 33.5 29 34 A G - 0 0 54 -2,-0.4 -11,-0.1 -10,-0.2 3,-0.1 -0.455 24.7 -82.4 -92.9 168.1 15.5 167.6 33.3 30 35 A L - 0 0 36 -2,-0.1 -1,-0.1 1,-0.1 165,-0.1 -0.323 55.0 -92.3 -66.2 149.3 17.1 169.7 36.1 31 36 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.290 38.2-161.6 -57.9 147.9 15.0 172.5 37.7 32 37 A S + 0 0 100 -3,-0.1 3,-0.1 115,-0.0 114,-0.0 -0.063 38.8 123.1-130.6 39.5 15.5 175.8 35.9 33 38 A G - 0 0 55 1,-0.2 116,-0.1 115,-0.0 2,-0.1 0.220 70.0 -46.8 -78.2-154.3 14.4 178.6 38.1 34 39 A S - 0 0 120 1,-0.1 -1,-0.2 114,-0.1 3,-0.1 -0.343 66.3 -93.3 -76.5 159.2 16.4 181.6 39.3 35 40 A D - 0 0 53 112,-0.1 112,-0.1 1,-0.1 -1,-0.1 -0.456 43.5-106.4 -71.6 142.1 19.9 181.3 40.8 36 41 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.353 46.3 -99.6 -63.4 152.6 20.1 181.0 44.5 37 42 A A - 0 0 96 1,-0.1 2,-0.3 -3,-0.1 3,-0.0 -0.404 37.0-110.3 -73.3 153.0 21.4 184.2 46.0 38 43 A F - 0 0 69 1,-0.1 4,-0.1 2,-0.1 -1,-0.1 -0.608 11.1-151.9 -83.9 144.6 25.1 184.5 47.0 39 44 A S S S+ 0 0 79 -2,-0.3 -1,-0.1 2,-0.1 68,-0.1 0.670 81.7 68.8 -85.2 -19.4 26.1 184.6 50.7 40 45 A Q S S- 0 0 61 67,-0.1 -2,-0.1 1,-0.1 5,-0.0 -0.769 95.3-105.5-102.0 145.1 29.2 186.6 49.8 41 46 A P >> - 0 0 76 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.399 31.8-120.3 -64.4 146.1 29.2 190.2 48.4 42 47 A K H 3> S+ 0 0 119 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.829 113.7 59.2 -58.6 -32.3 30.0 190.2 44.7 43 48 A S H 3> S+ 0 0 89 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.837 104.9 50.1 -65.8 -31.3 33.1 192.3 45.3 44 49 A V H <> S+ 0 0 53 -3,-0.9 4,-0.5 2,-0.2 -2,-0.2 0.900 111.7 47.5 -72.2 -40.3 34.4 189.6 47.6 45 50 A L H >< S+ 0 0 1 -4,-1.8 3,-1.3 1,-0.2 4,-0.2 0.913 109.1 54.1 -67.3 -41.2 33.8 186.9 45.0 46 51 A D H >< S+ 0 0 55 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.859 99.1 63.1 -61.6 -34.4 35.5 189.1 42.3 47 52 A A H 3< S+ 0 0 83 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.731 98.2 57.4 -63.7 -20.2 38.6 189.4 44.5 48 53 A G T << S+ 0 0 8 -3,-1.3 48,-1.9 -4,-0.5 2,-0.4 0.495 93.0 85.0 -89.0 -1.8 39.0 185.6 44.1 49 54 A L E < +B 95 0B 17 -3,-1.9 2,-0.3 -4,-0.2 46,-0.2 -0.864 50.7 167.5-107.6 132.6 39.2 185.7 40.3 50 55 A T E -B 94 0B 62 44,-2.5 44,-2.8 -2,-0.4 2,-0.4 -0.995 16.8-161.9-141.4 144.5 42.3 186.4 38.3 51 56 A b E > -BC 93 54B 9 3,-0.6 3,-1.0 -2,-0.3 2,-0.7 -0.968 32.0-110.9-123.4 144.7 43.3 186.1 34.6 52 57 A Q T 3 S- 0 0 96 40,-3.0 3,-0.1 -2,-0.4 -2,-0.0 -0.640 97.7 -9.5 -78.9 114.3 46.9 186.0 33.3 53 58 A G T 3 S+ 0 0 86 -2,-0.7 2,-0.3 1,-0.2 -1,-0.3 0.726 126.7 64.5 73.9 23.6 47.6 189.2 31.4 54 59 A A B < S-C 51 0B 39 -3,-1.0 -3,-0.6 5,-0.1 -1,-0.2 -0.993 79.7-105.4-168.2 162.4 44.0 190.4 31.4 55 60 A S B > -I 58 0C 66 3,-0.6 3,-1.7 -2,-0.3 -5,-0.1 -0.754 32.1-129.0 -91.5 141.7 41.0 191.6 33.3 56 61 A P T 3 S+ 0 0 24 0, 0.0 3,-0.4 0, 0.0 66,-0.2 0.682 107.2 62.3 -64.9 -15.9 38.2 189.0 33.5 57 62 A S T 3 S+ 0 0 87 1,-0.3 2,-0.1 64,-0.1 62,-0.0 0.513 115.8 27.5 -88.1 -4.5 35.8 191.7 32.2 58 63 A S B < S+I 55 0C 95 -3,-1.7 -3,-0.6 65,-0.1 2,-0.4 -0.594 88.0 142.4-154.7 83.2 37.6 192.0 28.9 59 64 A V - 0 0 10 63,-1.7 2,-0.5 -3,-0.4 -5,-0.1 -0.972 43.5-129.9-135.0 145.5 39.3 188.8 28.0 60 65 A S S S- 0 0 90 -2,-0.4 31,-0.4 1,-0.2 63,-0.1 -0.801 81.6 -21.4 -95.7 129.0 40.0 186.7 24.9 61 66 A K S S- 0 0 113 -2,-0.5 30,-2.2 62,-0.2 -1,-0.2 0.887 82.8-163.8 40.6 62.2 39.2 182.9 24.8 62 67 A P E -d 91 0B 4 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.335 15.2-161.9 -73.5 154.4 39.3 182.4 28.6 63 68 A I E -d 92 0B 0 28,-1.6 30,-2.3 65,-0.1 2,-0.6 -0.993 16.3-139.0-132.9 126.4 39.5 179.1 30.3 64 69 A L E -de 93 130B 0 65,-2.2 67,-2.7 -2,-0.4 2,-0.5 -0.807 14.5-161.3 -96.2 120.5 38.4 178.9 33.9 65 70 A L E -de 94 131B 0 28,-2.6 30,-1.5 -2,-0.6 67,-0.2 -0.868 0.9-162.8-101.9 125.5 40.7 176.8 36.2 66 71 A V E - e 0 132B 0 65,-2.1 67,-1.8 -2,-0.5 70,-0.2 -0.950 18.5-137.1-113.6 118.0 39.2 175.6 39.5 67 72 A P - 0 0 0 0, 0.0 69,-0.2 0, 0.0 6,-0.1 -0.029 13.7-103.1 -72.0 169.5 41.8 174.4 42.0 68 73 A G > - 0 0 0 4,-0.2 3,-1.4 67,-0.2 66,-0.1 -0.376 51.7 -67.7 -88.9 167.4 42.0 171.5 44.4 69 74 A T T 3 S+ 0 0 41 1,-0.2 32,-0.2 -2,-0.1 -1,-0.2 -0.258 119.3 17.5 -54.4 132.6 41.5 171.3 48.2 70 75 A G T 3 S+ 0 0 37 30,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.685 112.1 89.5 78.7 18.1 44.2 173.1 50.2 71 76 A T < - 0 0 23 -3,-1.4 -1,-0.3 29,-0.5 2,-0.2 -0.942 65.3-130.2-142.9 163.9 45.5 175.1 47.3 72 77 A T > - 0 0 31 -2,-0.3 4,-2.4 28,-0.1 -4,-0.2 -0.563 44.2 -97.1-100.3 170.9 45.1 178.4 45.3 73 78 A G H > S+ 0 0 0 -2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.948 125.2 47.2 -55.2 -51.6 44.7 178.6 41.6 74 79 A P H > S+ 0 0 36 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.908 110.5 52.1 -59.7 -42.1 48.5 179.3 41.1 75 80 A Q H 4 S+ 0 0 115 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.910 116.1 40.7 -61.6 -39.6 49.5 176.5 43.5 76 81 A S H < S+ 0 0 5 -4,-2.4 5,-0.2 1,-0.1 -1,-0.2 0.919 132.6 18.3 -72.6 -42.3 47.4 174.0 41.5 77 82 A F H ><>S+ 0 0 0 -4,-2.8 5,-2.2 -5,-0.2 3,-1.5 0.497 89.2 96.4-115.8 -5.4 48.1 175.1 38.0 78 83 A D T 3<5S+ 0 0 95 -4,-2.6 -3,-0.1 -5,-0.3 -1,-0.1 0.855 96.2 41.3 -53.2 -38.2 51.3 177.3 37.8 79 84 A S T 3 5S+ 0 0 79 -5,-0.3 -1,-0.3 -4,-0.2 209,-0.2 0.425 133.0 10.7 -91.4 -1.2 53.4 174.3 36.8 80 85 A N T <>5S+ 0 0 5 -3,-1.5 4,-2.7 207,-0.1 5,-0.2 0.308 122.4 24.4-139.1 -93.0 50.9 172.8 34.4 81 86 A W H >5S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.634 111.0 63.2 -69.1 -14.6 47.6 174.1 33.0 82 87 A I H > S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.897 121.4 53.6 -69.8 -32.8 51.2 177.6 30.8 84 89 A L H X S+ 0 0 4 -4,-2.7 4,-0.8 1,-0.2 -3,-0.2 0.908 111.0 45.1 -66.4 -39.3 49.7 174.6 28.9 85 90 A S H <>S+ 0 0 0 -4,-1.8 5,-2.3 -5,-0.2 3,-0.4 0.877 110.2 54.8 -72.1 -33.5 46.4 176.3 28.2 86 91 A A H ><5S+ 0 0 39 -4,-1.8 3,-1.6 1,-0.3 -2,-0.2 0.916 106.6 52.0 -62.8 -41.7 48.2 179.6 27.2 87 92 A Q H 3<5S+ 0 0 118 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.730 105.2 56.2 -66.2 -23.0 50.2 177.5 24.7 88 93 A L T 3<5S- 0 0 54 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.432 128.0 -97.4 -87.9 -1.2 46.9 176.2 23.3 89 94 A G T < 5S+ 0 0 46 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.499 83.0 121.8 102.0 3.2 45.6 179.7 22.7 90 95 A Y < - 0 0 26 -5,-2.3 -1,-0.3 3,-0.0 -29,-0.2 -0.551 64.3-121.9 -95.4 163.6 43.5 180.4 25.8 91 96 A T E - d 0 62B 27 -30,-2.2 -28,-1.6 -31,-0.4 2,-0.2 -0.935 36.8-131.1 -99.0 112.1 43.8 183.1 28.4 92 97 A P E + d 0 63B 3 0, 0.0 -40,-3.0 0, 0.0 2,-0.3 -0.476 33.2 173.7 -69.2 131.1 44.2 181.2 31.6 93 98 A b E +Bd 51 64B 0 -30,-2.3 -28,-2.6 -42,-0.3 2,-0.3 -0.949 2.8 177.3-131.8 153.9 41.9 182.4 34.4 94 99 A W E -Bd 50 65B 23 -44,-2.8 -44,-2.5 -2,-0.3 2,-0.4 -0.982 23.7-132.8-153.0 160.8 41.4 180.9 37.8 95 100 A I E -B 49 0B 1 -30,-1.5 -46,-0.2 -2,-0.3 -47,-0.1 -0.897 8.4-165.9-114.4 149.0 39.6 181.3 41.1 96 101 A S - 0 0 31 -48,-1.9 4,-0.2 -2,-0.4 -24,-0.1 -0.642 12.9-161.8-130.8 73.1 41.3 181.0 44.5 97 102 A P > - 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.371 39.1 -81.5 -58.1 128.8 38.5 180.7 47.1 98 103 A P T 4 S+ 0 0 68 0, 0.0 5,-0.1 0, 0.0 -50,-0.0 -0.523 106.9 26.2 -86.2 146.5 39.9 181.5 50.5 99 104 A P T >4 S- 0 0 56 0, 0.0 3,-2.2 0, 0.0 -29,-0.2 0.352 126.1 -66.7 -99.2 118.1 41.4 180.0 52.5 100 105 A F T 34 S- 0 0 95 1,-0.3 -30,-1.9 -4,-0.2 -29,-0.5 0.829 93.2 -62.9 48.8 42.2 43.0 177.5 50.1 101 106 A M T 3< S+ 0 0 0 -4,-2.5 -1,-0.3 -31,-0.2 7,-0.1 0.675 110.5 119.4 61.1 18.4 39.7 175.9 49.2 102 107 A L < + 0 0 55 -3,-2.2 75,-2.6 -5,-0.2 76,-0.4 0.666 52.1 81.5 -88.2 -18.6 39.3 174.7 52.8 103 108 A N S S- 0 0 74 73,-0.2 5,-0.2 1,-0.2 72,-0.0 -0.260 101.6 -40.2 -82.7 174.5 36.1 176.6 53.5 104 109 A D >> - 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0 0 3 -3,-1.6 36,-0.1 36,-0.2 6,-0.1 -0.526 38.2-160.1 -64.5 125.7 44.9 158.1 43.4 212 222 A E S S+ 0 0 100 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.418 86.1 39.1 -91.4 1.8 46.1 158.3 47.0 213 223 A I S S+ 0 0 80 1,-0.3 2,-0.5 -43,-0.0 -44,-0.3 0.728 112.5 49.0-114.9 -43.7 43.6 161.0 48.0 214 224 A V S S- 0 0 2 -47,-0.1 -1,-0.3 -46,-0.1 -3,-0.2 -0.913 77.9-155.4-108.8 119.7 40.3 160.1 46.2 215 225 A Q + 0 0 28 -2,-0.5 -47,-2.0 1,-0.2 -46,-0.3 -0.976 59.8 44.8-145.4 155.8 38.9 156.5 46.4 216 226 A P + 0 0 49 0, 0.0 9,-2.7 0, 0.0 10,-0.2 0.413 66.7 128.1 -82.4 144.0 37.3 154.4 45.3 217 227 A Q + 0 0 0 -8,-0.3 3,-0.4 7,-0.2 7,-0.1 0.158 43.4 96.5-140.1 10.9 38.5 154.8 41.7 218 228 A V + 0 0 91 1,-0.2 -9,-0.1 -9,-0.1 -8,-0.0 0.603 67.3 66.3 -87.7 -14.2 39.5 151.2 41.0 219 229 A S S S- 0 0 61 2,-0.1 -1,-0.2 -10,-0.0 -2,-0.0 0.626 82.4-136.8 -86.9 -14.2 36.5 149.7 39.1 220 230 A N S S+ 0 0 77 -3,-0.4 -2,-0.1 1,-0.3 13,-0.0 0.952 75.7 92.8 54.5 49.4 36.5 151.7 35.8 221 231 A S S > S- 0 0 30 6,-0.0 3,-2.3 0, 0.0 -1,-0.3 -0.907 100.4 -71.6-156.7 179.2 32.7 151.9 36.4 222 232 A P T 3 S+ 0 0 52 0, 0.0 5,-0.1 0, 0.0 7,-0.1 0.653 119.0 72.3 -57.8 -16.3 29.9 154.0 37.9 223 233 A L T 3 S+ 0 0 120 3,-0.1 -5,-0.1 -4,-0.0 2,-0.1 0.742 76.2 100.9 -71.4 -21.4 31.1 153.1 41.4 224 234 A D S X S- 0 0 0 -3,-2.3 3,-1.6 1,-0.1 -7,-0.2 -0.367 78.7-129.4 -67.6 143.0 34.2 155.3 40.9 225 235 A S T 3 S+ 0 0 0 -9,-2.7 -61,-1.0 1,-0.3 -60,-0.5 0.826 106.8 52.0 -61.0 -31.2 34.1 158.7 42.6 226 236 A S T 3 S+ 0 0 0 -10,-0.2 2,-0.3 -63,-0.2 -1,-0.3 0.456 86.2 113.6 -85.1 0.1 35.1 160.5 39.3 227 237 A Y < - 0 0 54 -3,-1.6 2,-0.4 -6,-0.2 5,-0.0 -0.544 40.0-177.2 -82.7 134.7 32.4 158.9 37.2 228 238 A L > - 0 0 0 -2,-0.3 3,-1.9 -25,-0.1 -30,-0.3 -0.994 33.9-110.4-125.5 133.8 29.5 160.8 35.6 229 239 A F B 3 S+k 198 0E 96 -32,-2.7 -30,-2.5 -2,-0.4 3,-0.1 -0.397 104.3 11.2 -62.2 137.0 26.7 159.2 33.6 230 240 A N T 3 S+ 0 0 126 1,-0.3 -1,-0.3 -32,-0.2 -27,-0.2 0.360 105.4 120.7 73.4 -1.5 27.0 160.1 29.9 231 241 A G S < S- 0 0 15 -3,-1.9 2,-1.1 -29,-0.1 -1,-0.3 -0.331 78.8-104.9 -84.7 171.5 30.4 161.6 30.5 232 242 A K E -h 204 0B 52 -29,-2.8 -27,-2.6 -3,-0.1 2,-0.7 -0.841 45.0-167.7 -95.5 95.4 33.7 160.6 28.8 233 243 A N E -h 205 0B 26 -2,-1.1 2,-0.7 -29,-0.2 -27,-0.2 -0.819 7.1-174.8 -94.6 113.4 35.1 158.7 31.9 234 244 A V E -h 206 0B 4 -29,-3.3 -27,-2.3 -2,-0.7 2,-0.6 -0.871 9.5-173.2-115.7 96.1 38.8 157.9 31.4 235 245 A Q E >> -h 207 0B 11 -2,-0.7 3,-1.5 -29,-0.2 4,-0.8 -0.800 26.6-137.3 -83.7 122.5 40.3 155.8 34.2 236 246 A A H >> S+ 0 0 0 -29,-3.2 4,-3.0 -2,-0.6 3,-0.9 0.853 98.2 55.3 -53.0 -41.1 44.0 155.9 33.2 237 247 A Q H 3> S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.732 95.5 66.3 -68.3 -22.2 44.7 152.2 33.8 238 248 A A H <4 S+ 0 0 56 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.871 116.9 27.8 -65.6 -31.8 41.9 151.1 31.5 239 249 A V H << S+ 0 0 51 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.850 133.2 33.9 -91.8 -42.5 43.9 152.6 28.7 240 250 A c H < S- 0 0 20 -4,-3.0 3,-0.3 -5,-0.2 -3,-0.2 0.505 102.4-121.8 -98.6 -7.1 47.4 152.2 30.0 241 251 A G >< - 0 0 23 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.2 -0.008 41.2 -61.7 86.7 166.1 47.3 149.0 32.1 242 252 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.589 125.1 65.6 -64.7 -14.9 48.1 148.3 35.8 243 253 A L T 3 S+ 0 0 164 -3,-0.3 2,-0.8 -6,-0.1 -2,-0.1 0.532 79.9 90.3 -84.9 -6.2 51.7 149.4 35.6 244 254 A F < + 0 0 14 -3,-1.7 -34,-0.2 1,-0.1 -4,-0.1 -0.826 54.9 168.6 -89.2 111.3 50.6 153.0 34.9 245 255 A V + 0 0 87 -2,-0.8 -1,-0.1 -36,-0.1 5,-0.1 -0.125 2.3 165.5-124.8 43.4 50.4 154.4 38.4 246 256 A I - 0 0 11 4,-0.1 -36,-0.4 1,-0.1 -10,-0.1 -0.217 27.7-137.3 -60.1 144.4 50.0 158.2 38.4 247 257 A D > - 0 0 75 -36,-0.1 4,-1.7 -38,-0.1 -36,-0.2 -0.054 36.2 -71.8 -92.6-165.8 48.9 159.7 41.6 248 258 A H T 4 S+ 0 0 14 -38,-0.3 4,-0.4 1,-0.2 -114,-0.2 0.921 134.6 34.5 -56.7 -47.6 46.4 162.4 42.6 249 259 A A T >> S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 3,-1.4 0.838 112.4 60.8 -76.9 -33.4 48.5 165.2 41.2 250 260 A G H 3> S+ 0 0 10 1,-0.3 4,-2.4 2,-0.2 7,-0.3 0.811 93.6 66.7 -61.9 -27.0 49.8 163.2 38.4 251 261 A S H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.803 110.8 35.7 -62.2 -28.7 46.2 162.8 37.3 252 262 A L H <4 S+ 0 0 3 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.855 127.3 33.0 -89.2 -40.5 46.4 166.6 36.6 253 263 A T H < S+ 0 0 34 -4,-2.3 34,-2.7 4,-0.1 35,-0.4 0.555 84.4 111.0-101.6 -9.6 49.9 167.0 35.3 254 264 A S B X S-L 286 0F 1 -4,-2.4 4,-2.1 32,-0.3 5,-0.1 -0.172 74.1-116.6 -67.5 162.0 51.1 163.9 33.4 255 265 A Q H > S+ 0 0 51 30,-2.2 4,-2.6 28,-0.7 5,-0.2 0.892 119.0 54.9 -63.7 -38.2 51.7 163.8 29.7 256 266 A F H > S+ 0 0 0 27,-1.8 4,-2.4 1,-0.2 5,-0.2 0.947 108.0 49.5 -57.9 -46.7 48.8 161.3 29.4 257 267 A S H > S+ 0 0 0 -7,-0.3 4,-2.6 26,-0.3 -1,-0.2 0.872 109.6 51.3 -60.9 -37.4 46.6 163.8 31.2 258 268 A Y H X S+ 0 0 18 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.926 108.4 50.9 -67.0 -43.4 47.7 166.6 28.9 259 269 A V H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 114.4 43.9 -61.1 -43.6 46.9 164.5 25.7 260 270 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.930 115.3 48.3 -67.3 -42.4 43.4 163.7 27.0 261 271 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.907 110.2 51.0 -63.7 -42.7 42.8 167.3 28.2 262 272 A R H X S+ 0 0 71 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.911 110.1 51.7 -61.1 -40.9 43.9 168.7 24.9 263 273 A S H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.939 110.9 47.0 -60.9 -45.7 41.6 166.3 23.1 264 274 A A H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.908 111.0 51.9 -62.7 -43.0 38.7 167.4 25.3 265 275 A L H < S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.8 36.2 -65.2 -34.2 39.4 171.1 24.8 266 276 A R H < S+ 0 0 136 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.655 89.7 115.0 -94.9 -14.1 39.5 170.9 21.0 267 277 A S >< - 0 0 5 -4,-1.8 3,-0.9 -5,-0.2 5,-0.1 -0.272 60.3-145.1 -60.8 134.9 36.8 168.3 20.4 268 278 A T T 3 S+ 0 0 143 1,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.641 102.8 56.6 -73.7 -12.3 33.7 169.4 18.6 269 279 A T T 3 S- 0 0 82 2,-0.3 -1,-0.2 -5,-0.0 3,-0.1 0.590 111.7-121.4 -91.6 -12.9 31.7 167.0 20.8 270 280 A G S < S+ 0 0 3 -3,-0.9 2,-0.3 1,-0.3 -113,-0.3 0.382 84.1 89.5 88.4 -5.7 33.0 168.8 23.9 271 281 A Q S S- 0 0 41 -115,-0.1 -2,-0.3 -8,-0.1 -1,-0.3 -0.901 86.9 -95.9-123.2 154.0 34.5 165.5 25.2 272 282 A A - 0 0 5 -2,-0.3 2,-0.4 -40,-0.2 -8,-0.1 -0.283 40.6-134.5 -62.5 154.7 37.9 163.8 24.7 273 283 A R > - 0 0 114 -13,-0.1 3,-2.3 1,-0.1 4,-0.2 -0.955 8.1-139.0-119.3 131.6 38.0 161.3 21.9 274 284 A S G > S+ 0 0 70 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.796 102.8 66.9 -54.8 -31.0 39.5 157.8 22.2 275 285 A A G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.0 3,-0.0 0.691 93.9 61.6 -65.0 -16.7 40.9 158.3 18.6 276 286 A D G < S+ 0 0 28 -3,-2.3 2,-0.3 1,-0.1 -1,-0.3 0.459 106.9 38.4 -89.7 -4.2 43.2 161.0 20.0 277 287 A Y < + 0 0 21 -3,-1.5 2,-0.2 -4,-0.2 -1,-0.1 -1.000 58.6 153.8-148.3 150.5 45.2 158.9 22.5 278 288 A G > - 0 0 28 -2,-0.3 3,-1.8 -3,-0.0 4,-0.3 -0.811 61.5 -54.3-152.3-165.7 46.7 155.5 22.8 279 289 A I G > S+ 0 0 119 1,-0.3 3,-1.6 -2,-0.2 -40,-0.0 0.803 124.2 62.6 -53.5 -34.4 49.4 153.5 24.4 280 290 A T G 3 S+ 0 0 128 1,-0.3 -1,-0.3 3,-0.0 -24,-0.0 0.788 100.1 54.5 -66.1 -24.3 52.1 155.9 23.3 281 291 A D G < S+ 0 0 42 -3,-1.8 2,-2.7 1,-0.1 -1,-0.3 0.466 74.6 106.5 -87.0 -1.1 50.6 158.7 25.3 282 292 A c < + 0 0 24 -3,-1.6 -1,-0.1 -4,-0.3 -3,-0.1 -0.431 48.2 144.4 -78.7 69.5 50.6 156.6 28.5 283 293 A N - 0 0 55 -2,-2.7 -27,-1.8 2,-0.1 -28,-0.7 -0.949 39.0-166.2-116.2 115.0 53.5 158.7 29.8 284 294 A P + 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.524 57.9 106.2 -80.3 -5.2 53.6 159.4 33.5 285 295 A L S S- 0 0 111 1,-0.1 -30,-2.2 -31,-0.1 -29,-0.2 -0.363 87.7 -84.5 -71.3 154.2 56.2 162.2 33.1 286 296 A P B > -L 254 0F 56 0, 0.0 3,-1.2 0, 0.0 -32,-0.3 -0.382 30.0-142.6 -62.6 132.2 55.0 165.9 33.6 287 297 A A T 3 S+ 0 0 18 -34,-2.7 -33,-0.1 1,-0.3 -207,-0.1 0.890 100.4 55.2 -60.9 -43.2 53.5 167.3 30.4 288 298 A N T 3 0 0 70 -35,-0.4 -1,-0.3 1,-0.2 -34,-0.1 0.560 360.0 360.0 -69.7 -7.6 55.0 170.8 31.0 289 299 A D < 0 0 169 -3,-1.2 -1,-0.2 0, 0.0 -2,-0.2 0.894 360.0 360.0 -82.0 360.0 58.4 169.2 31.3