==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-07 2R11 . COMPND 2 MOLECULE: CARBOXYLESTERASE NP; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1143 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 785 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 5.7 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 . 2 0.2 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 . 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 . 78 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 352 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 5 4 0 3 4 4 0 5 8 5 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 12 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 . 2 4 0 4 2 0 1 1 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 . 2 0 0 0 0 0 2 2 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 11 A L 0 0 125 0, 0.0 2,-0.1 0, 0.0 199,-0.0 0.000 360.0 360.0 360.0 133.2 -52.3 62.4 88.5 2 12 A S > - 0 0 34 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.249 360.0 -98.5 -81.5 173.8 -48.9 64.0 87.8 3 13 A D H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.880 127.4 49.9 -63.4 -38.9 -47.8 65.4 84.6 4 14 A N H > S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.830 112.1 49.7 -66.6 -32.0 -45.9 62.2 83.7 5 15 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.828 109.4 50.1 -73.8 -35.6 -49.1 60.3 84.6 6 16 A I H X S+ 0 0 72 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.923 111.7 49.0 -65.9 -44.0 -51.2 62.6 82.4 7 17 A R H X S+ 0 0 126 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.832 110.1 51.6 -63.8 -33.1 -48.7 62.0 79.6 8 18 A Y H X S+ 0 0 1 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.907 107.5 51.7 -70.8 -45.8 -48.9 58.2 80.2 9 19 A Y H X S+ 0 0 41 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.895 108.3 53.2 -54.3 -40.9 -52.7 58.3 80.0 10 20 A Q H X S+ 0 0 100 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.925 108.6 48.4 -60.8 -44.6 -52.4 60.1 76.7 11 21 A T H X S+ 0 0 19 -4,-1.7 4,-1.6 1,-0.2 179,-0.2 0.820 108.4 55.1 -67.8 -33.3 -50.1 57.5 75.2 12 22 A Y H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.889 107.9 48.9 -62.6 -46.2 -52.5 54.7 76.4 13 23 A N H X S+ 0 0 82 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.915 110.4 50.0 -64.0 -43.2 -55.3 56.3 74.5 14 24 A E H >< S+ 0 0 93 -4,-2.1 3,-0.9 1,-0.2 4,-0.4 0.859 105.8 58.2 -61.4 -35.4 -53.2 56.7 71.3 15 25 A S H >< S+ 0 0 1 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.845 96.1 62.1 -65.4 -31.3 -52.3 53.0 71.7 16 26 A L H >< S+ 0 0 23 -4,-1.3 3,-2.0 -3,-0.3 -1,-0.2 0.758 85.2 76.2 -66.9 -20.4 -56.0 52.1 71.6 17 27 A S T << S+ 0 0 86 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.808 88.6 59.9 -56.3 -28.3 -56.0 53.6 68.1 18 28 A L T < S+ 0 0 34 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.624 77.5 109.9 -72.8 -16.3 -54.3 50.3 67.1 19 29 A W < - 0 0 17 -3,-2.0 4,-0.1 -4,-0.2 43,-0.1 -0.493 59.9-155.1 -65.8 117.0 -57.3 48.2 68.3 20 30 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.419 69.9 49.9 -82.8 3.1 -59.0 46.8 65.1 21 31 A V S S- 0 0 48 41,-0.0 2,-0.2 20,-0.0 45,-0.1 -0.830 98.2 -83.0-130.2 170.1 -62.5 46.4 66.6 22 32 A R + 0 0 233 -2,-0.3 19,-0.5 2,-0.0 2,-0.3 -0.532 53.8 174.8 -72.4 137.8 -64.9 48.7 68.5 23 33 A C - 0 0 37 -2,-0.2 2,-0.4 17,-0.1 17,-0.2 -0.966 25.2-140.0-143.5 162.0 -64.2 48.7 72.2 24 34 A K E -A 39 0A 113 15,-2.1 15,-2.6 -2,-0.3 2,-0.4 -0.992 11.8-153.0-127.2 125.9 -65.4 50.5 75.3 25 35 A S E +A 38 0A 53 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.829 31.0 144.9 -97.1 136.5 -63.1 51.7 78.1 26 36 A F E -A 37 0A 46 11,-2.3 11,-3.0 -2,-0.4 2,-0.4 -0.973 41.1-109.9-161.1 168.1 -64.6 51.9 81.6 27 37 A Y E -A 36 0A 81 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.869 19.4-162.8-109.8 144.4 -63.8 51.6 85.4 28 38 A I E -A 35 0A 22 7,-2.2 7,-3.3 -2,-0.4 2,-0.3 -0.953 22.3-123.2-121.4 140.8 -65.2 49.0 87.7 29 39 A S + 0 0 65 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.617 34.9 169.2 -83.3 142.0 -65.1 49.4 91.5 30 40 A T > - 0 0 17 -2,-0.3 3,-1.4 78,-0.0 71,-0.1 -0.918 50.7-100.6-139.4 170.7 -63.3 46.8 93.7 31 41 A R T 3 S+ 0 0 130 -2,-0.3 3,-0.1 1,-0.2 70,-0.1 0.655 124.4 47.0 -62.1 -21.0 -62.2 46.5 97.3 32 42 A F T 3 S- 0 0 19 1,-0.4 57,-2.2 69,-0.1 -1,-0.2 0.138 124.3 -73.5-113.4 22.7 -58.7 47.4 96.2 33 43 A G E < -H 88 0B 3 -3,-1.4 -1,-0.4 55,-0.3 2,-0.3 -0.286 67.0 -37.9 115.7 165.7 -59.5 50.3 93.9 34 44 A Q E -H 87 0B 73 53,-0.5 53,-3.1 -5,-0.2 2,-0.5 -0.447 57.4-155.5 -66.1 126.3 -61.0 51.5 90.6 35 45 A T E -A 28 0A 0 -7,-3.3 -7,-2.2 -2,-0.3 2,-0.3 -0.909 7.7-134.7-115.9 124.1 -60.0 49.0 87.9 36 46 A H E -A 27 0A 3 -2,-0.5 42,-2.7 -9,-0.2 2,-0.4 -0.560 25.1-177.2 -80.8 136.3 -59.8 49.9 84.2 37 47 A V E -AB 26 77A 0 -11,-3.0 -11,-2.3 -2,-0.3 2,-0.5 -0.993 19.0-155.2-134.1 137.1 -61.4 47.5 81.7 38 48 A I E -AB 25 76A 2 38,-1.7 38,-3.2 -2,-0.4 2,-0.4 -0.983 20.2-160.6-109.7 121.9 -61.6 47.4 77.9 39 49 A A E +AB 24 75A 2 -15,-2.6 -15,-2.1 -2,-0.5 2,-0.3 -0.897 16.7 163.5-110.2 136.6 -64.6 45.5 76.6 40 50 A S E + B 0 74A 1 34,-2.3 34,-2.3 -2,-0.4 -17,-0.1 -0.922 32.6 43.7-143.0 161.9 -65.0 44.1 73.1 41 51 A G S S- 0 0 24 -19,-0.5 32,-0.2 -2,-0.3 2,-0.2 -0.143 94.3 -26.4 90.6 173.2 -67.1 41.5 71.3 42 52 A P > - 0 0 63 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.401 53.7-131.8 -64.8 132.5 -70.8 40.7 71.3 43 53 A E T 3 S+ 0 0 166 1,-0.3 30,-0.1 -2,-0.2 -3,-0.0 0.807 106.0 42.3 -51.7 -37.1 -72.7 41.6 74.5 44 54 A D T 3 S+ 0 0 108 28,-0.1 -1,-0.3 2,-0.0 29,-0.0 0.390 91.1 109.8 -95.2 3.6 -74.4 38.2 74.7 45 55 A A S < S- 0 0 20 -3,-1.9 27,-0.2 1,-0.1 28,-0.1 -0.347 83.9 -82.5 -78.1 158.8 -71.3 36.1 73.8 46 56 A P - 0 0 49 0, 0.0 27,-2.7 0, 0.0 -1,-0.1 -0.334 57.3-101.7 -62.9 147.9 -69.5 33.9 76.4 47 57 A P E -c 73 0A 28 0, 0.0 68,-1.5 0, 0.0 2,-0.3 -0.357 35.2-176.1 -78.7 150.7 -67.1 35.8 78.5 48 58 A L E -cd 74 115A 0 25,-2.1 27,-2.9 66,-0.2 2,-0.4 -0.979 10.6-154.0-143.1 131.2 -63.3 35.9 78.2 49 59 A V E -cd 75 116A 0 66,-2.1 68,-2.3 -2,-0.3 2,-0.5 -0.930 5.4-161.6-113.9 130.4 -60.8 37.7 80.5 50 60 A L E -cd 76 117A 0 25,-2.8 27,-2.0 -2,-0.4 2,-0.5 -0.948 4.2-170.8-113.0 127.8 -57.4 39.0 79.4 51 61 A L E -cd 77 118A 0 66,-2.4 68,-2.1 -2,-0.5 27,-0.1 -0.984 21.3-141.9-120.9 117.2 -54.7 39.8 81.9 52 62 A H - 0 0 0 25,-0.6 70,-1.2 -2,-0.5 6,-0.1 0.010 19.2 -89.7 -75.2 172.1 -51.6 41.5 80.3 53 63 A G >> - 0 0 3 4,-0.3 3,-1.4 68,-0.2 4,-0.8 -0.396 61.5 -70.5 -78.1 161.1 -47.9 41.3 80.9 54 64 A A T 34 S- 0 0 41 1,-0.2 -1,-0.2 2,-0.2 66,-0.0 -0.233 114.4 -2.8 -57.1 135.1 -46.0 43.5 83.3 55 65 A L T 34 S+ 0 0 52 1,-0.1 -1,-0.2 -3,-0.1 139,-0.1 0.310 112.0 92.1 66.6 -6.5 -45.8 47.2 82.4 56 66 A F T <4 S- 0 0 9 -3,-1.4 4,-0.2 138,-0.1 3,-0.2 0.749 73.7-153.9 -89.1 -26.4 -47.5 46.6 79.0 57 67 A S >< - 0 0 0 -4,-0.8 3,-1.7 1,-0.2 -4,-0.3 0.175 40.7 -64.8 68.7 168.4 -51.2 47.3 80.0 58 68 A S G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.1 -1,-0.2 0.682 122.2 79.3 -59.4 -21.1 -54.4 46.0 78.4 59 69 A T G > S+ 0 0 0 1,-0.2 3,-1.3 -3,-0.2 -1,-0.3 0.744 73.2 79.3 -62.5 -21.5 -53.5 47.9 75.2 60 70 A X G < S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.638 73.7 77.7 -61.8 -14.7 -51.0 45.1 74.2 61 71 A W G X> + 0 0 0 -3,-1.4 3,-2.1 1,-0.2 4,-1.8 0.401 57.5 110.0 -81.8 8.9 -53.8 42.8 73.0 62 72 A Y T <4 S+ 0 0 33 -3,-1.3 4,-0.5 1,-0.3 -1,-0.2 0.812 75.9 51.6 -55.6 -37.0 -54.3 44.7 69.6 63 73 A P T 34 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.582 120.6 34.7 -77.2 -3.8 -52.9 41.8 67.5 64 74 A N T <> S+ 0 0 0 -3,-2.1 4,-2.3 2,-0.1 -2,-0.2 0.620 95.4 79.0-117.7 -20.8 -55.2 39.2 69.1 65 75 A I H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.800 84.7 61.5 -72.9 -30.6 -58.6 40.9 69.9 66 76 A A H > S+ 0 0 42 -4,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.964 114.3 36.1 -60.3 -47.5 -60.1 40.9 66.4 67 77 A D H >> S+ 0 0 78 2,-0.2 4,-0.6 1,-0.2 3,-0.5 0.920 121.6 45.0 -70.9 -45.0 -60.0 37.1 66.4 68 78 A W H >X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 3,-0.7 0.901 113.0 49.3 -68.8 -39.0 -60.8 36.5 70.1 69 79 A S H 3< S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.522 91.9 77.3 -80.1 -7.2 -63.6 39.1 70.3 70 80 A S H << S+ 0 0 81 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.903 115.9 17.7 -64.4 -35.5 -65.4 37.7 67.2 71 81 A K H << S+ 0 0 85 -3,-0.7 2,-0.3 -4,-0.6 -2,-0.2 0.673 123.7 53.9-108.8 -23.9 -66.6 34.8 69.4 72 82 A Y S < S- 0 0 5 -4,-1.6 2,-1.0 -27,-0.2 -1,-0.1 -0.878 75.8-121.5-120.2 148.4 -66.2 36.0 73.1 73 83 A R E - c 0 47A 32 -27,-2.7 -25,-2.1 -2,-0.3 2,-0.4 -0.802 49.1-155.3 -82.8 104.9 -67.3 39.0 75.1 74 84 A T E -Bc 40 48A 0 -34,-2.3 -34,-2.3 -2,-1.0 2,-0.5 -0.750 21.2-168.3-101.9 130.9 -63.8 40.0 76.0 75 85 A Y E -Bc 39 49A 31 -27,-2.9 -25,-2.8 -2,-0.4 2,-0.9 -0.963 5.9-162.1-118.2 111.3 -62.7 42.0 79.0 76 86 A A E -Bc 38 50A 0 -38,-3.2 -38,-1.7 -2,-0.5 2,-0.5 -0.832 19.7-161.0 -94.0 102.2 -59.1 43.2 79.0 77 87 A V E -Bc 37 51A 0 -27,-2.0 -25,-0.6 -2,-0.9 2,-0.5 -0.742 15.0-131.6 -95.0 127.5 -58.5 44.1 82.7 78 88 A D - 0 0 0 -42,-2.7 -42,-0.2 -2,-0.5 2,-0.2 -0.646 33.0-116.7 -76.9 120.4 -55.7 46.4 83.9 79 89 A I > - 0 0 1 -2,-0.5 3,-1.6 1,-0.1 7,-0.2 -0.401 32.4-107.9 -67.7 126.9 -53.9 44.6 86.7 80 90 A I T 3 S+ 0 0 3 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.305 99.8 10.9 -58.0 128.1 -54.2 46.6 89.9 81 91 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.2 5,-0.1 2,-0.1 0.181 101.7 108.9 86.6 -15.2 -50.9 48.3 91.0 82 92 A D S < S- 0 0 28 -3,-1.6 2,-1.1 1,-0.1 -1,-0.3 -0.319 89.9 -75.2 -84.6 173.9 -49.1 47.7 87.7 83 93 A K S S+ 0 0 50 -3,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.584 98.3 76.8 -76.9 101.5 -48.2 50.4 85.2 84 94 A N S S- 0 0 1 -2,-1.1 -75,-0.1 2,-0.3 -76,-0.0 -0.875 97.7 -59.5-176.2-157.5 -51.6 51.1 83.5 85 95 A K S S+ 0 0 20 -2,-0.2 2,-0.1 -49,-0.1 -48,-0.1 0.514 89.6 107.6 -95.2 -5.9 -54.9 52.9 84.2 86 96 A S - 0 0 9 -7,-0.2 -2,-0.3 -50,-0.1 -51,-0.2 -0.464 60.4-144.6 -71.9 146.4 -56.1 51.0 87.3 87 97 A I E -H 34 0B 75 -53,-3.1 -53,-0.5 -2,-0.1 -7,-0.1 -0.876 16.8-149.3-115.9 98.6 -55.9 53.0 90.6 88 98 A P E -H 33 0B 25 0, 0.0 2,-0.3 0, 0.0 -55,-0.3 -0.312 15.8-178.2 -75.4 152.1 -54.9 50.8 93.5 89 99 A E - 0 0 100 -57,-2.2 -2,-0.0 -56,-0.1 -9,-0.0 -0.969 63.1 -5.7-148.3 130.8 -56.1 51.3 97.1 90 100 A N S S+ 0 0 141 -2,-0.3 2,-0.8 1,-0.2 3,-0.1 0.885 76.2 161.9 57.4 43.8 -55.3 49.4 100.3 91 101 A V - 0 0 35 1,-0.2 -1,-0.2 -59,-0.1 -59,-0.0 -0.850 23.0-174.9 -99.9 111.4 -53.3 46.6 98.6 92 102 A S - 0 0 68 -2,-0.8 113,-0.2 112,-0.1 -1,-0.2 0.764 44.6-118.5 -74.0 -23.7 -51.1 44.8 101.1 93 103 A G + 0 0 4 1,-0.3 118,-0.4 -3,-0.1 2,-0.1 0.537 62.9 141.1 100.6 8.0 -49.5 42.8 98.3 94 104 A T > - 0 0 35 116,-0.2 4,-1.7 1,-0.1 116,-0.3 -0.477 63.0-119.4 -82.8 157.0 -50.6 39.2 99.3 95 105 A R H > S+ 0 0 26 114,-2.7 4,-1.8 1,-0.2 115,-0.1 0.786 116.2 58.5 -62.5 -27.5 -51.7 36.6 96.7 96 106 A T H > S+ 0 0 64 113,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.929 102.9 51.2 -66.9 -48.7 -55.0 36.5 98.6 97 107 A D H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 111.6 47.2 -51.6 -50.1 -55.6 40.3 98.0 98 108 A Y H X S+ 0 0 26 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.849 111.2 51.1 -63.6 -38.8 -54.9 39.9 94.3 99 109 A A H X S+ 0 0 3 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.918 111.8 47.3 -61.9 -46.6 -57.2 36.9 94.1 100 110 A N H X S+ 0 0 38 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.841 108.3 56.0 -64.0 -36.7 -60.0 38.9 95.9 101 111 A W H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.966 109.5 44.9 -57.9 -53.2 -59.5 41.8 93.6 102 112 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.903 109.4 56.1 -64.1 -36.2 -60.0 39.7 90.5 103 113 A L H X S+ 0 0 29 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.921 105.9 52.1 -57.1 -43.3 -63.1 38.0 92.2 104 114 A D H X S+ 0 0 19 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.857 108.6 51.5 -60.6 -39.0 -64.5 41.6 92.6 105 115 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 6,-0.3 0.942 111.1 45.8 -61.7 -49.4 -63.9 42.2 88.9 106 116 A F H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-0.4 0.954 114.7 49.4 -58.4 -48.4 -65.8 39.0 87.9 107 117 A D H ><5S+ 0 0 79 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.887 112.7 45.4 -57.4 -45.1 -68.6 39.8 90.3 108 118 A N H 3<5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.713 111.3 53.4 -75.7 -21.4 -68.9 43.4 89.0 109 119 A L T 3<5S- 0 0 26 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.431 113.1-116.5 -89.5 -0.1 -68.8 42.3 85.4 110 120 A G T < 5 + 0 0 65 -3,-0.9 2,-0.4 -4,-0.4 -3,-0.2 0.601 60.6 157.0 75.7 14.2 -71.7 39.7 85.9 111 121 A I < + 0 0 7 -5,-2.2 -1,-0.2 -6,-0.3 3,-0.1 -0.561 22.1 173.1 -80.7 126.1 -69.3 36.8 85.1 112 122 A E S S- 0 0 146 1,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.890 75.6 -5.2 -86.7 -77.1 -70.2 33.3 86.5 113 123 A K S S- 0 0 106 24,-0.0 -1,-0.5 -7,-0.0 2,-0.3 -0.917 78.2-180.0-114.5 148.3 -67.6 31.1 84.8 114 124 A S E - 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