==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-JUN-13 4LAO . COMPND 2 MOLECULE: CORDYCEPS MILITARIS IDCASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORDYCEPS MILITARIS; . AUTHOR S.XU,W.LI,J.ZHU,J.DING . 739 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.9 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 . 1 0.1 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 . 43 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.1 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 1 5 1 5 2 4 0 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 5 3 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 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 5 A T 0 0 146 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 47.5 139.3 40.5 36.4 2 6 A P + 0 0 106 0, 0.0 2,-0.4 0, 0.0 355,-0.1 -0.292 360.0 163.3 -69.5 84.6 140.8 37.2 37.8 3 7 A V - 0 0 39 -2,-1.5 2,-0.6 353,-0.1 361,-0.2 -0.812 36.6-126.5 -91.7 137.2 138.0 34.7 38.0 4 8 A V - 0 0 36 -2,-0.4 83,-2.2 80,-0.2 82,-1.6 -0.770 29.0-174.0 -89.0 122.4 139.1 31.0 38.4 5 9 A V E -a 87 0A 1 354,-2.5 2,-0.6 -2,-0.6 83,-0.2 -0.959 15.6-156.0-119.4 135.0 137.6 28.6 35.8 6 10 A D E +a 88 0A 0 81,-2.8 83,-2.9 -2,-0.4 311,-0.2 -0.938 15.5 173.0-108.4 109.7 138.0 24.8 35.7 7 11 A I E + 0 0 0 309,-1.9 2,-0.5 -2,-0.6 310,-0.2 0.439 69.0 62.4 -96.7 -1.4 137.5 23.5 32.1 8 12 A H E S+ 0 0 3 308,-0.2 311,-3.0 2,-0.0 310,-1.3 -0.798 70.3 120.6-127.2 88.0 138.5 19.9 32.9 9 13 A T E -ab 90 320A 0 80,-0.6 82,-1.8 -2,-0.5 2,-0.2 -0.971 41.5-150.6-157.0 130.9 136.0 18.5 35.3 10 14 A H E +a 91 0A 8 310,-3.5 2,-0.3 -2,-0.3 82,-0.2 -0.688 13.6 178.0-116.9 158.3 133.6 15.5 35.0 11 15 A M E -a 92 0A 0 80,-1.5 82,-1.2 -2,-0.2 60,-0.2 -0.984 25.3-144.2-146.9 153.6 130.3 14.1 36.1 12 16 A Y - 0 0 2 58,-2.5 80,-0.1 -2,-0.3 5,-0.0 -0.951 34.5-147.3-112.0 104.8 128.0 11.2 35.6 13 17 A P >> - 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.240 24.6-103.6 -68.7 161.0 124.5 12.7 35.8 14 18 A P H 3> S+ 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.858 120.6 53.0 -53.6 -43.3 121.5 10.7 37.2 15 19 A S H 3> S+ 0 0 36 1,-0.2 4,-1.4 2,-0.2 97,-0.1 0.803 109.3 50.2 -63.3 -31.9 120.0 9.9 33.8 16 20 A Y H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.905 111.4 47.0 -71.7 -44.6 123.4 8.5 32.7 17 21 A I H X S+ 0 0 19 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.892 111.4 51.4 -63.8 -42.2 123.7 6.3 35.7 18 22 A A H X S+ 0 0 31 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.865 108.9 51.5 -63.0 -38.7 120.1 5.0 35.4 19 23 A M H X S+ 0 0 24 -4,-1.4 4,-0.7 1,-0.2 3,-0.2 0.891 111.4 47.4 -62.4 -42.4 120.8 4.2 31.7 20 24 A L H < S+ 0 0 0 -4,-1.9 9,-1.7 1,-0.2 3,-0.3 0.797 105.2 59.9 -70.0 -31.0 123.9 2.2 32.8 21 25 A E H < S+ 0 0 74 -4,-1.9 -1,-0.2 7,-0.2 -2,-0.2 0.820 103.0 51.9 -66.1 -33.1 121.9 0.4 35.6 22 26 A K H < S+ 0 0 149 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.733 88.9 105.5 -74.9 -24.9 119.5 -1.1 33.0 23 27 A R < - 0 0 42 -4,-0.7 6,-0.1 -3,-0.3 3,-0.1 -0.199 51.0-166.0 -63.5 147.9 122.4 -2.5 30.9 24 28 A Q S S+ 0 0 153 2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.445 73.9 46.3-113.0 -8.3 123.2 -6.2 30.9 25 29 A T S S- 0 0 83 2,-0.2 -1,-0.1 1,-0.0 -2,-0.0 -0.943 101.5 -35.6-132.8 156.8 126.6 -6.0 29.2 26 30 A I S S+ 0 0 45 -2,-0.3 16,-0.2 2,-0.1 2,-0.1 -0.184 112.9 45.8 -57.3 142.1 129.6 -3.7 29.8 27 31 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.596 88.9 134.0 -78.1 149.4 129.7 -0.9 30.5 28 32 A L E -I 41 0B 5 13,-2.0 13,-2.7 -2,-0.1 2,-0.4 -0.978 46.4-125.6-156.7 165.4 127.1 -1.2 33.3 29 33 A V E -I 40 0B 1 -9,-1.7 2,-0.4 -2,-0.3 11,-0.2 -0.971 18.2-170.4-123.7 128.4 126.2 -0.3 36.9 30 34 A R E -I 39 0B 62 9,-1.7 9,-2.7 -2,-0.4 2,-0.7 -0.952 14.2-146.1-117.3 136.7 125.2 -2.6 39.7 31 35 A T - 0 0 92 -2,-0.4 5,-0.0 7,-0.2 -2,-0.0 -0.896 19.3-157.2-104.1 109.4 123.9 -1.6 43.2 32 36 A F - 0 0 14 -2,-0.7 22,-0.0 5,-0.3 29,-0.0 -0.598 19.7-134.1 -87.4 145.1 125.1 -4.0 45.9 33 37 A P S S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.780 103.1 55.2 -65.0 -29.2 123.3 -4.5 49.2 34 38 A Q S S+ 0 0 108 2,-0.0 2,-0.1 23,-0.0 -3,-0.0 0.973 104.6 51.0 -68.3 -58.5 126.6 -4.3 51.2 35 39 A A - 0 0 34 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.413 69.3-138.9 -89.6 159.4 127.9 -1.0 49.9 36 40 A D S S+ 0 0 143 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.630 84.6 66.3 -87.4 -18.2 126.3 2.5 49.8 37 41 A E S S- 0 0 56 1,-0.0 -5,-0.3 30,-0.0 30,-0.1 -0.920 83.9-117.6-116.0 130.7 127.7 3.4 46.3 38 42 A P - 0 0 29 0, 0.0 28,-3.2 0, 0.0 2,-0.6 -0.108 30.1-118.3 -57.0 160.2 126.8 1.8 43.0 39 43 A R E -IJ 30 65B 38 -9,-2.7 -9,-1.7 26,-0.2 2,-0.5 -0.917 15.7-154.7-115.2 114.5 129.6 0.0 41.0 40 44 A L E -IJ 29 64B 1 24,-3.0 24,-2.2 -2,-0.6 2,-0.5 -0.752 13.8-172.4 -84.3 124.2 130.6 1.2 37.5 41 45 A I E +I 28 0B 5 -13,-2.7 -13,-2.0 -2,-0.5 3,-0.1 -0.971 18.1 153.7-125.2 119.5 132.2 -1.7 35.5 42 46 A L + 0 0 40 -2,-0.5 2,-0.3 -15,-0.2 -1,-0.1 0.861 52.7 59.6-110.4 -63.3 133.7 -0.9 32.1 43 47 A L S > S- 0 0 111 1,-0.1 3,-1.4 -17,-0.1 4,-0.2 -0.589 75.1-131.9 -79.8 136.2 136.5 -3.2 31.0 44 48 A S G >> S+ 0 0 76 -2,-0.3 3,-1.4 1,-0.3 4,-0.6 0.664 96.6 83.4 -61.6 -17.5 135.4 -6.9 30.6 45 49 A S G 34 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.435 96.0 41.9 -67.7 0.2 138.5 -7.9 32.6 46 50 A E G <> S+ 0 0 53 -3,-1.4 4,-1.2 2,-0.1 -1,-0.3 0.331 87.1 87.2-128.5 -1.0 136.6 -7.2 35.8 47 51 A L H <> S+ 0 0 54 -3,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.807 90.2 55.2 -66.9 -31.7 133.2 -8.8 34.9 48 52 A A H X S+ 0 0 69 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.894 103.4 53.7 -63.1 -43.6 134.7 -12.0 36.2 49 53 A A H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.791 104.0 57.3 -62.6 -30.9 135.4 -10.2 39.5 50 54 A L H X S+ 0 0 12 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.943 103.8 51.1 -62.3 -50.5 131.7 -9.2 39.6 51 55 A D H X S+ 0 0 91 -4,-1.6 4,-0.6 2,-0.2 5,-0.2 0.878 109.4 51.5 -54.2 -43.6 130.6 -12.9 39.4 52 56 A A H >X S+ 0 0 36 -4,-1.7 4,-3.2 1,-0.2 3,-1.1 0.959 115.0 40.8 -57.2 -53.8 133.0 -13.6 42.3 53 57 A A H 3< S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.754 111.0 57.7 -67.5 -27.2 131.5 -10.8 44.4 54 58 A L H 3< S+ 0 0 110 -4,-2.7 -1,-0.3 2,-0.1 -2,-0.2 0.598 125.3 22.7 -76.5 -12.5 128.0 -11.8 43.2 55 59 A A H << S+ 0 0 72 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.2 0.718 139.3 24.0-115.6 -66.9 128.7 -15.2 44.7 56 60 A D >< - 0 0 109 -4,-3.2 3,-2.4 -5,-0.2 -1,-0.2 -0.885 67.9-168.3 -98.3 95.8 131.4 -14.9 47.3 57 61 A P T 3 S+ 0 0 72 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 0.503 78.6 84.5 -62.0 -0.5 130.9 -11.2 48.3 58 62 A A T 3 S+ 0 0 99 -6,-0.2 2,-0.1 2,-0.1 -5,-0.1 0.762 71.0 90.1 -71.2 -29.6 134.3 -11.8 50.1 59 63 A A S < S- 0 0 33 -3,-2.4 -4,-0.0 -7,-0.3 -10,-0.0 -0.464 100.4 -88.2 -60.6 139.7 135.9 -11.0 46.7 60 64 A K - 0 0 184 1,-0.1 -7,-0.2 -2,-0.1 -1,-0.1 -0.016 46.8 -94.4 -44.4 152.5 136.6 -7.3 46.4 61 65 A L - 0 0 31 -3,-0.1 -1,-0.1 1,-0.1 -11,-0.1 -0.675 52.8-123.4 -75.3 123.5 133.9 -5.0 45.0 62 66 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -16,-0.1 -0.271 57.3 -8.4 -76.3 153.0 134.7 -4.8 41.3 63 67 A G S S- 0 0 24 -24,-0.1 -22,-0.2 2,-0.1 -2,-0.0 -0.115 101.6 -23.7 68.6-158.8 135.3 -1.7 39.2 64 68 A R E -J 40 0B 93 -24,-2.2 -24,-3.0 1,-0.0 2,-0.3 -0.742 59.2-121.0 -95.7 134.3 134.9 2.0 40.1 65 69 A P E -J 39 0B 48 0, 0.0 2,-1.7 0, 0.0 -26,-0.2 -0.569 18.8-133.7 -69.8 131.4 132.7 3.2 42.9 66 70 A L - 0 0 9 -28,-3.2 -27,-0.1 -2,-0.3 -37,-0.0 -0.617 43.1-179.1 -85.9 78.9 130.1 5.7 41.7 67 71 A S >> - 0 0 19 -2,-1.7 4,-2.0 -30,-0.1 3,-1.3 -0.132 46.0 -99.4 -78.7 171.0 130.7 8.2 44.5 68 72 A T H 3> S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 7,-0.2 0.780 120.7 67.7 -53.1 -30.3 129.1 11.6 45.3 69 73 A H H 34 S+ 0 0 22 1,-0.2 -1,-0.2 2,-0.2 253,-0.1 0.770 110.1 33.0 -68.9 -25.7 132.2 13.1 43.6 70 74 A F H <4 S+ 0 0 5 -3,-1.3 -58,-2.5 -59,-0.1 -2,-0.2 0.807 130.5 30.7 -90.4 -38.7 131.0 11.7 40.3 71 75 A A H < S+ 0 0 30 -4,-2.0 2,-0.5 -60,-0.2 -3,-0.2 0.678 96.2 85.9-103.3 -23.0 127.2 11.9 40.6 72 76 A S X - 0 0 37 -4,-2.4 4,-1.7 -5,-0.2 5,-0.1 -0.757 46.4-167.4 -99.7 121.8 126.3 14.9 42.9 73 77 A L H > S+ 0 0 28 -2,-0.5 4,-2.2 2,-0.2 5,-0.2 0.870 96.3 54.5 -65.8 -39.3 125.9 18.4 41.7 74 78 A A H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.879 107.5 51.0 -61.0 -38.7 126.0 19.7 45.4 75 79 A Q H > S+ 0 0 18 -7,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.885 107.5 53.1 -64.5 -40.7 129.3 17.8 45.8 76 80 A K H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.920 109.5 47.8 -60.1 -46.1 130.7 19.5 42.6 77 81 A M H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.847 110.8 52.3 -64.2 -35.6 129.7 23.0 44.0 78 82 A H H X S+ 0 0 61 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.910 108.1 50.4 -64.6 -45.1 131.4 22.0 47.3 79 83 A F H X S+ 0 0 3 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.916 113.0 47.2 -56.9 -45.7 134.6 21.0 45.5 80 84 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-0.8 0.917 112.3 48.6 -61.8 -46.9 134.5 24.4 43.7 81 85 A D H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.731 115.0 44.7 -67.9 -26.0 133.9 26.4 46.9 82 86 A T H 3<5S+ 0 0 50 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.412 116.1 45.8-100.0 0.2 136.7 24.6 48.8 83 87 A N T <<5S- 0 0 32 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.177 113.9-106.8-125.2 15.5 139.3 24.8 46.0 84 88 A G T 5 + 0 0 56 -4,-0.3 2,-0.5 1,-0.2 -3,-0.2 0.784 68.2 146.7 67.4 31.8 138.8 28.5 45.0 85 89 A I < + 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 -80,-0.1 -0.888 25.3 178.8-105.4 122.9 137.0 27.7 41.7 86 90 A R + 0 0 138 -82,-1.6 2,-0.4 -2,-0.5 -81,-0.2 0.878 70.0 27.7 -86.2 -43.3 134.3 30.2 40.6 87 91 A V E -a 5 0A 9 -83,-2.2 -81,-2.8 -7,-0.1 2,-0.4 -0.968 61.3-168.0-127.5 135.3 133.2 28.6 37.3 88 92 A S E -ac 6 127A 0 38,-2.5 40,-2.4 -2,-0.4 2,-0.8 -0.982 12.8-157.2-119.7 136.2 133.3 25.0 36.1 89 93 A V E - c 0 128A 0 -83,-2.9 -80,-0.6 -2,-0.4 40,-0.3 -0.880 30.8-159.9-105.2 94.5 132.8 23.8 32.5 90 94 A I E -ac 9 129A 0 38,-2.4 40,-2.2 -2,-0.8 2,-0.3 -0.352 11.9-172.1 -81.0 154.5 131.6 20.2 33.2 91 95 A S E -ac 10 130A 0 -82,-1.8 -80,-1.5 38,-0.2 40,-0.1 -0.991 32.7 -96.6-143.7 150.1 131.7 17.3 30.8 92 96 A L E -a 11 0A 2 38,-0.6 -80,-0.2 -2,-0.3 2,-0.1 -0.405 47.1-125.6 -59.7 139.4 130.5 13.7 30.7 93 97 A A > - 0 0 0 -82,-1.2 3,-1.9 1,-0.2 -1,-0.1 -0.460 45.2 -42.7 -85.1 161.6 133.3 11.3 31.7 94 98 A N T 3 S+ 0 0 21 1,-0.3 -1,-0.2 98,-0.2 99,-0.0 -0.287 118.8 36.0 -50.2 143.9 134.5 8.4 29.7 95 99 A P T > S+ 0 0 9 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 -0.916 79.4 173.2 -94.1 19.4 133.2 6.2 28.2 96 100 A W T < - 0 0 8 -3,-1.9 3,-0.1 1,-0.2 -3,-0.1 -0.253 67.7 -39.8 56.0-128.6 130.5 8.8 27.1 97 101 A F T > S+ 0 0 0 36,-0.4 3,-1.7 1,-0.1 39,-0.3 0.312 103.1 112.5-111.8 6.4 128.1 7.4 24.5 98 102 A D T < S+ 0 0 30 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.727 76.7 49.4 -53.9 -30.0 130.6 5.4 22.5 99 103 A F T 3 S+ 0 0 46 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.586 85.5 111.6 -89.5 -14.5 129.2 2.0 23.4 100 104 A L S < S- 0 0 5 -3,-1.7 -3,-0.0 1,-0.1 5,-0.0 -0.233 75.9-101.5 -68.1 149.3 125.5 2.6 22.7 101 105 A A >> - 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0 0 14 -3,-1.5 -1,-0.3 1,-0.2 3,-0.2 -0.460 64.3 -33.1 64.5-131.5 148.7 0.1 40.5 210 214 A H T 3> S+ 0 0 128 -2,-0.2 4,-2.2 423,-0.2 5,-0.3 0.256 107.2 110.9-102.1 10.2 147.1 2.3 37.8 211 215 A V H <> S+ 0 0 1 -3,-1.6 4,-3.0 1,-0.2 5,-0.4 0.895 74.8 47.4 -55.0 -49.3 150.3 4.5 37.4 212 216 A L H >>S+ 0 0 1 -7,-0.3 4,-2.1 1,-0.2 5,-1.8 0.948 115.6 40.2 -65.0 -53.3 151.3 3.3 33.9 213 217 A P H 4>S+ 0 0 34 0, 0.0 5,-1.9 0, 0.0 -1,-0.2 0.878 123.7 41.1 -63.6 -34.4 147.9 3.6 32.1 214 218 A L H <5S+ 0 0 47 -4,-2.2 -2,-0.2 3,-0.2 -3,-0.2 0.899 122.4 36.7 -78.8 -42.8 147.0 6.8 33.8 215 219 A A H <5S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.3 415,-0.2 0.801 139.0 11.9 -80.4 -31.2 150.4 8.6 33.7 216 220 A L T X5S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.4 5,-0.2 0.799 121.3 55.8-113.3 -52.3 151.5 7.4 30.3 217 221 A G H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 32,-0.4 0.846 115.1 50.8 -65.9 -30.8 148.5 11.4 27.4 220 224 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.891 107.7 53.4 -69.9 -39.8 150.1 9.2 24.7 221 225 A E H X S+ 0 0 11 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.917 109.4 49.0 -56.1 -47.0 146.7 8.3 23.4 222 226 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.920 110.9 50.1 -59.7 -46.1 145.9 12.0 23.1 223 227 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.928 111.5 47.7 -58.7 -48.8 149.2 12.7 21.3 224 228 A I H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.901 112.1 50.4 -60.8 -43.2 148.6 9.9 18.8 225 229 A A H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.918 114.1 42.0 -62.8 -47.8 145.0 11.0 18.1 226 230 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.865 112.8 54.4 -69.9 -37.0 145.9 14.7 17.4 227 231 A A H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.901 109.3 48.4 -61.4 -41.3 149.0 13.7 15.4 228 232 A R H X S+ 0 0 23 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.922 111.5 49.8 -63.4 -46.1 146.7 11.5 13.2 229 233 A M H <>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 4,-0.4 0.926 113.7 46.3 -53.9 -49.5 144.3 14.5 12.8 230 234 A Y H ><5S+ 0 0 24 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.937 111.5 49.4 -62.4 -49.7 147.1 16.8 11.9 231 235 A M H 3<5S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.802 107.7 55.6 -61.8 -31.6 148.8 14.3 9.4 232 236 A A T 3<5S- 0 0 28 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.555 115.5-117.9 -77.7 -8.9 145.4 13.8 7.7 233 237 A G T <>5 + 0 0 22 -3,-1.6 4,-2.2 -4,-0.4 3,-0.4 0.674 66.2 144.3 81.2 19.4 145.1 17.5 7.2 234 238 A V H >< S+ 0 0 3 -4,-2.2 3,-1.5 -5,-0.2 -1,-0.3 -0.787 71.2 174.1-120.4 84.0 138.3 22.8 8.7 239 243 A R T 3 S+ 0 0 139 -2,-0.5 -1,-0.1 -3,-0.4 -2,-0.1 0.721 77.0 53.7 -69.4 -23.3 140.1 26.1 9.3 240 244 A N T 3 S+ 0 0 79 2,-0.1 -1,-0.3 -61,-0.0 2,-0.2 0.417 82.3 117.7 -90.5 1.3 137.6 27.4 11.9 241 245 A L < - 0 0 0 -3,-1.5 2,-0.4 -6,-0.2 -54,-0.1 -0.514 46.8-164.5 -70.9 131.9 137.9 24.3 14.0 242 246 A Q - 0 0 49 -56,-0.4 -54,-2.3 -2,-0.2 2,-0.4 -0.982 1.4-162.6-122.0 133.3 139.2 24.8 17.5 243 247 A M E -fg 188 290A 0 46,-3.0 48,-4.0 -2,-0.4 2,-0.5 -0.935 11.7-159.8-116.9 133.1 140.5 22.0 19.8 244 248 A L E -fg 189 291A 0 -56,-3.5 -54,-2.7 -2,-0.4 2,-0.5 -0.969 22.9-149.2-105.5 121.9 141.1 21.9 23.5 245 249 A L E > -fg 190 292A 0 46,-2.8 48,-2.1 -2,-0.5 3,-0.6 -0.794 11.2-122.0 -99.8 131.1 143.5 19.1 24.4 246 250 A A G >> S+ 0 0 0 -56,-1.8 3,-0.9 -2,-0.5 4,-0.8 -0.312 89.7 11.9 -64.3 146.6 143.4 17.2 27.7 247 251 A H G >4 S- 0 0 4 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.871 134.1 -56.7 52.7 49.1 146.5 17.2 29.9 248 252 A S G <4 S- 0 0 0 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.8 -48.5 56.6 33.8 148.4 19.9 28.1 249 253 A G G X4 S- 0 0 0 -3,-0.9 3,-2.0 -4,-0.3 2,-1.7 0.615 83.5-100.7 83.9 14.5 148.2 18.0 24.7 250 254 A G T << S- 0 0 0 -3,-1.2 -30,-0.2 -4,-0.8 -1,-0.1 -0.549 92.5 -26.1 76.4 -85.9 149.4 14.8 26.3 251 255 A T T >> S+ 0 0 0 -2,-1.7 4,-1.8 -32,-0.4 3,-0.8 0.191 107.6 114.3-137.5 7.3 153.0 14.9 25.1 252 256 A L H <> S+ 0 0 0 -3,-2.0 4,-1.8 1,-0.3 7,-0.2 0.845 72.3 53.3 -56.5 -45.1 152.5 17.1 22.0 253 257 A P H 34 S+ 0 0 1 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.858 114.0 44.9 -59.9 -32.6 154.5 20.2 23.2 254 258 A F H <4 S+ 0 0 2 -3,-0.8 4,-0.3 1,-0.2 -2,-0.2 0.804 120.9 37.7 -78.2 -31.4 157.5 18.0 23.9 255 259 A L H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.1 5,-0.2 0.514 86.4 96.0-100.3 -6.5 157.3 16.0 20.7 256 260 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 26,-0.2 0.857 86.5 49.5 -54.1 -42.8 156.2 18.8 18.2 257 261 A G H > S+ 0 0 4 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.907 112.6 47.7 -61.9 -44.0 159.8 19.4 17.1 258 262 A R H > S+ 0 0 2 409,-0.3 4,-2.6 -4,-0.3 -2,-0.2 0.886 110.1 52.8 -63.7 -41.2 160.4 15.7 16.6 259 263 A I H X S+ 0 0 4 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.943 110.5 47.4 -58.8 -49.0 157.1 15.4 14.6 260 264 A E H X S+ 0 0 22 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 112.5 49.1 -59.7 -44.6 158.2 18.3 12.3 261 265 A S H X S+ 0 0 3 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.912 110.6 50.1 -62.3 -45.0 161.6 16.7 11.7 262 266 A C H < S+ 0 0 3 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.841 110.5 51.2 -63.9 -35.1 160.2 13.3 10.9 263 267 A I H >< S+ 0 0 3 -4,-2.0 3,-1.7 1,-0.2 7,-0.2 0.967 111.4 44.3 -64.3 -54.8 157.7 14.9 8.4 264 268 A V H 3< S+ 0 0 52 -4,-2.2 433,-0.3 1,-0.3 -1,-0.2 0.675 117.7 46.7 -69.8 -16.7 160.4 16.8 6.5 265 269 A H T 3< S+ 0 0 17 -4,-1.3 2,-0.8 -5,-0.2 -1,-0.3 0.241 83.1 114.2-105.4 10.0 162.7 13.8 6.5 266 270 A D <> - 0 0 11 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 -0.754 52.4-159.8 -86.7 111.2 160.1 11.3 5.4 267 271 A G H > S+ 0 0 22 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.888 89.3 51.2 -54.4 -46.4 161.0 10.0 1.9 268 272 A H H > S+ 0 0 94 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.925 113.1 43.8 -60.0 -48.4 157.4 8.8 1.2 269 273 A L H 4>S+ 0 0 5 2,-0.2 5,-2.9 1,-0.2 6,-0.5 0.903 115.5 47.6 -65.7 -43.8 155.8 12.1 2.1 270 274 A V H ><5S+ 0 0 27 -4,-2.5 3,-1.3 1,-0.2 5,-0.3 0.928 113.3 47.4 -63.1 -46.2 158.3 14.2 0.3 271 275 A K H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.614 111.5 51.0 -75.7 -12.9 158.2 12.2 -2.9 272 276 A T T 3<5S- 0 0 65 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.189 118.5-106.5-108.3 15.0 154.4 12.1 -3.0 273 277 A G T < 5S+ 0 0 56 -3,-1.3 -3,-0.2 2,-0.1 -2,-0.1 0.663 82.8 126.7 75.7 19.5 154.0 15.8 -2.7 274 278 A K < + 0 0 132 -5,-2.9 -4,-0.2 1,-0.2 -5,-0.1 0.401 65.3 58.9 -91.1 2.7 152.8 15.7 1.0 275 279 A V S S+ 0 0 34 -6,-0.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.513 72.3 171.6-126.7 63.5 155.5 18.2 2.2 276 280 A P > - 0 0 60 0, 0.0 3,-1.6 0, 0.0 -2,-0.0 -0.329 44.8-112.3 -73.2 160.8 154.9 21.4 0.2 277 281 A K T 3 S+ 0 0 211 1,-0.3 0, 0.0 -2,-0.0 0, 0.0 0.794 115.4 52.4 -60.1 -31.7 156.8 24.6 1.0 278 282 A D T 3 S+ 0 0 138 2,-0.1 -1,-0.3 3,-0.0 3,-0.0 0.280 79.5 138.0 -91.5 10.1 153.6 26.4 2.1 279 283 A R < - 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0 0 14 -4,-2.1 3,-1.9 -5,-0.5 4,-0.1 0.107 30.1 -87.7 93.0 149.3 170.2 20.2 34.4 682 315 B A G > S+ 0 0 13 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.730 125.6 62.1 -63.0 -23.9 172.4 21.6 31.7 683 316 B D G 3 S+ 0 0 83 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.499 104.2 49.2 -79.6 -4.8 175.3 19.6 33.0 684 317 B R G < S+ 0 0 24 -3,-1.9 -21,-2.4 -7,-0.1 2,-0.4 0.228 89.1 96.6-120.8 11.2 173.4 16.3 32.2 685 318 B L E < -s 663 0D 0 -3,-0.8 2,-0.4 -23,-0.2 -21,-0.2 -0.845 53.6-166.2-100.3 140.3 172.4 17.1 28.7 686 319 B M E -s 664 0D 1 -23,-2.1 -21,-2.3 -2,-0.4 -20,-0.2 -0.983 19.4-121.3-135.0 125.6 174.4 15.7 25.7 687 320 B F + 0 0 4 42,-2.9 -309,-2.0 -2,-0.4 2,-0.3 -0.283 38.8 163.4 -59.4 140.4 174.4 16.6 22.0 688 321 B G - 0 0 0 -311,-0.2 -308,-0.1 -310,-0.2 23,-0.1 -0.959 31.8-158.3-152.5 167.2 173.6 13.9 19.5 689 322 B T - 0 0 1 -310,-1.3 5,-0.2 -2,-0.3 -309,-0.2 0.586 30.0-133.2-122.0 -21.1 172.5 13.5 15.9 690 323 B D > - 0 0 8 -311,-2.9 3,-2.5 1,-0.2 -310,-0.2 0.725 46.2-148.6 60.1 24.5 171.0 10.0 15.5 691 324 B H B 3 +m 380 0D 1 -312,-0.7 -310,-3.8 1,-0.3 -1,-0.2 -0.395 65.9 19.5 -57.2 136.5 173.2 9.6 12.4 692 325 B P T 3 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 -251,-0.1 -0.838 104.3 82.0-105.5 31.2 172.5 8.1 10.0 693 326 B F S < S+ 0 0 54 -3,-2.5 -2,-0.2 1,-0.2 -3,-0.1 0.700 93.5 41.2 -75.3 -22.8 168.7 7.8 10.5 694 327 B F S S+ 0 0 9 -4,-0.2 13,-0.5 -5,-0.2 -1,-0.2 -0.506 71.4 172.4-125.5 67.2 167.5 11.2 9.1 695 328 B P - 0 0 41 0, 0.0 2,-0.1 0, 0.0 6,-0.1 -0.348 47.5 -90.7 -66.6 151.1 169.4 12.0 5.9 696 329 B P - 0 0 17 0, 0.0 -431,-0.1 0, 0.0 5,-0.1 -0.436 33.6-151.4 -59.6 137.6 168.3 15.1 3.9 697 330 B I S S+ 0 0 49 -433,-0.3 4,-0.1 -2,-0.1 -432,-0.1 0.816 89.1 12.4 -84.2 -32.3 165.8 13.8 1.3 698 331 B E S S+ 0 0 166 2,-0.1 3,-0.1 -3,-0.0 -1,-0.0 0.754 113.0 79.1-112.3 -41.9 166.5 16.5 -1.3 699 332 B E S S- 0 0 146 1,-0.2 2,-0.2 2,-0.1 7,-0.0 -0.252 100.3 -72.4 -71.5 158.6 169.7 18.2 -0.2 700 333 B D > - 0 0 103 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 -0.330 35.3-152.7 -57.3 117.7 173.2 16.7 -0.7 701 334 B V T 3 S+ 0 0 39 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.619 96.9 58.7 -67.9 -13.5 173.6 13.7 1.7 702 335 B Q T 3 S+ 0 0 70 2,-0.1 -1,-0.3 -249,-0.0 3,-0.1 0.462 101.6 67.6 -93.7 -5.7 177.4 14.4 1.5 703 336 B G S < S- 0 0 15 -3,-1.7 -250,-0.1 1,-0.2 -249,-0.0 -0.339 107.4 -45.3 -98.3-172.9 176.8 18.0 2.8 704 337 B P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.225 60.2-123.8 -57.1 140.8 175.6 19.2 6.3 705 338 B W >> - 0 0 4 -255,-0.2 4,-2.2 1,-0.1 3,-1.1 -0.786 5.8-150.6 -94.5 126.5 172.6 17.4 7.7 706 339 B D H 3> S+ 0 0 51 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.868 100.1 60.5 -55.7 -40.0 169.5 19.3 8.6 707 340 B S H 34 S+ 0 0 1 -13,-0.5 4,-0.4 1,-0.2 -1,-0.3 0.700 108.6 44.1 -64.7 -21.6 168.8 16.7 11.3 708 341 B S H <> S+ 0 0 4 -3,-1.1 4,-1.5 2,-0.1 3,-0.4 0.886 113.9 46.9 -84.8 -46.9 172.1 17.5 12.9 709 342 B R H X S+ 0 0 99 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.780 101.4 65.2 -71.3 -28.5 171.8 21.4 12.7 710 343 B L H X S+ 0 0 42 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.914 107.0 43.6 -55.7 -44.7 168.3 21.5 14.1 711 344 B N H > S+ 0 0 0 -4,-0.4 4,-1.7 -3,-0.4 -2,-0.2 0.861 112.8 50.9 -71.0 -38.3 169.6 20.1 17.4 712 345 B A H X S+ 0 0 27 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.911 112.4 47.3 -63.1 -44.4 172.6 22.4 17.4 713 346 B Q H X S+ 0 0 81 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.849 107.6 57.2 -63.8 -37.2 170.3 25.4 16.7 714 347 B A H X S+ 0 0 2 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.869 106.7 48.8 -61.8 -39.4 168.0 24.2 19.5 715 348 B V H X>S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 5,-0.5 0.941 112.2 48.8 -63.1 -49.0 170.9 24.3 22.0 716 349 B I H X5S+ 0 0 61 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.912 112.7 46.4 -57.5 -48.2 171.8 27.9 20.8 717 350 B K H <5S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.754 116.6 46.2 -69.4 -24.5 168.2 29.1 21.1 718 351 B A H <5S+ 0 0 15 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.913 133.1 8.8 -83.7 -47.7 167.8 27.5 24.6 719 352 B V H <5S- 0 0 33 -4,-2.7 7,-0.2 -5,-0.1 6,-0.2 0.467 109.5-100.8-118.4 -5.3 171.0 28.5 26.4 720 353 B G ><< - 0 0 31 -4,-1.9 3,-1.3 -5,-0.5 6,-0.3 0.389 37.0 -81.0 93.0 135.3 172.7 31.0 24.1 721 354 B E T 3 S+ 0 0 161 1,-0.2 3,-0.1 -5,-0.2 -8,-0.0 -0.500 114.2 15.6 -70.7 129.0 175.5 30.7 21.6 722 355 B G T 3 S+ 0 0 79 1,-0.3 -1,-0.2 -2,-0.3 -2,-0.1 0.258 93.8 133.3 93.6 -10.8 179.0 30.9 23.2 723 356 B S <> - 0 0 37 -3,-1.3 4,-2.0 1,-0.1 -1,-0.3 -0.228 69.4-116.9 -68.9 160.0 177.7 30.3 26.7 724 357 B S H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.833 118.1 55.5 -65.5 -33.9 179.3 27.7 29.1 725 358 B D H > S+ 0 0 72 -6,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 106.2 51.0 -64.5 -38.8 176.0 25.8 29.1 726 359 B A H > S+ 0 0 8 -6,-0.3 4,-2.6 -7,-0.2 -2,-0.2 0.922 110.9 47.6 -63.8 -45.6 176.2 25.6 25.3 727 360 B A H X>S+ 0 0 19 -4,-2.0 5,-2.3 2,-0.2 4,-0.7 0.860 112.5 51.2 -62.4 -37.6 179.8 24.3 25.5 728 361 B A H ><>S+ 0 0 14 -4,-2.0 5,-2.7 4,-0.2 3,-0.7 0.954 114.8 40.0 -64.4 -52.9 178.6 21.8 28.1 729 362 B V H 3<5S+ 0 0 1 -4,-2.5 -42,-2.9 1,-0.2 -2,-0.2 0.904 112.0 57.1 -63.9 -43.2 175.7 20.4 26.1 730 363 B M H 3<5S- 0 0 35 -4,-2.6 -354,-2.0 -5,-0.2 -1,-0.2 0.633 138.7 -48.8 -68.3 -15.6 177.6 20.4 22.8 731 364 B G T S+ 0 0 2 -6,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.870 110.6 53.2 -62.8 -40.1 180.3 13.9 27.4 735 368 B V H X>S+ 0 0 46 -4,-2.2 5,-1.6 2,-0.2 4,-0.6 0.924 116.3 39.5 -59.7 -45.7 184.0 14.6 27.8 736 369 B R H <5S+ 0 0 125 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.956 121.3 40.1 -68.7 -54.0 183.6 14.8 31.6 737 370 B V H <5S+ 0 0 36 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.866 125.7 35.3 -68.8 -38.7 181.1 11.9 32.1 738 371 B L H <5S- 0 0 6 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.427 103.5-125.8 -96.4 0.1 182.6 9.5 29.6 739 372 B S T <5 0 0 83 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.2 0.972 360.0 360.0 51.1 64.5 186.3 10.5 30.2 740 373 B L < 0 0 56 -5,-1.6 -5,-0.1 -6,-0.2 -243,-0.0 0.702 360.0 360.0 -97.5 360.0 187.1 11.3 26.6