==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-APR-04 1T2F . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE B CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.CAMERON,J.READ,R.TRANTER,V.J.WINTER,R.B.SESSIONS, . 1328 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 974 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 8.7 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 2 0.2 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 . 104 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 430 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 3 2 0 0 1 1 0 1 7 3 1 7 2 0 7 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 7 10 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 . 10 8 7 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 4 3 0 1 0 0 2 0 1 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 98 0, 0.0 4,-0.5 0, 0.0 557,-0.1 0.000 360.0 360.0 360.0 113.4 31.3 160.1 22.8 2 2 A T T 4 - 0 0 33 555,-0.2 3,-0.4 2,-0.1 4,-0.3 0.228 360.0 -96.5 47.8 160.5 30.3 157.9 25.8 3 3 A L T >> S+ 0 0 10 1,-0.2 3,-1.8 2,-0.2 4,-1.0 0.829 122.9 70.9 -76.1 -30.5 33.2 158.0 28.3 4 4 A K H >> S+ 0 0 106 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.885 80.4 77.8 -41.7 -43.0 34.7 154.7 27.0 5 5 A E H 3< S- 0 0 115 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.797 125.5 -5.0 -47.3 -39.6 35.6 156.9 24.0 6 6 A K H <4 S+ 0 0 133 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 -0.030 120.6 76.2-150.2 50.3 38.5 158.2 26.3 7 7 A L H << S+ 0 0 1 -4,-1.0 964,-1.9 -3,-0.6 2,-0.5 0.575 102.8 51.3 -96.8 -33.8 38.1 156.7 29.7 8 8 A I E < -A 970 0A 14 -4,-1.3 -1,-0.2 -5,-0.4 962,-0.2 -0.919 68.2-174.6-110.2 116.8 39.5 153.6 28.0 9 9 A A E -A 969 0A 18 960,-1.4 960,-1.0 -2,-0.5 -4,-0.1 -0.804 27.3-136.0-116.1 87.5 42.7 154.0 26.0 10 10 A P E -A 968 0A 79 0, 0.0 958,-0.3 0, 0.0 3,-0.1 0.066 26.7-172.4 -55.0 147.3 43.3 150.6 24.4 11 11 A V S S+ 0 0 31 956,-0.9 811,-0.4 1,-0.2 2,-0.4 0.392 78.0 55.8-107.7 -10.1 46.7 148.7 24.1 12 12 A A S S- 0 0 7 955,-1.3 -1,-0.2 809,-0.1 953,-0.0 -0.997 100.5 -90.2-128.4 127.8 45.2 146.0 21.8 13 13 A E - 0 0 101 -2,-0.4 -2,-0.1 -3,-0.1 3,-0.0 0.095 40.9-114.3 -9.9 120.9 43.4 146.3 18.5 14 14 A E S S+ 0 0 192 1,-0.1 -1,-0.1 -4,-0.1 -3,-0.0 0.910 76.9 141.0 -41.2 -60.2 39.6 146.7 19.1 15 15 A E - 0 0 84 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.246 50.7 -47.1 60.7-162.1 39.5 143.3 17.4 16 16 A A - 0 0 67 1,-0.2 -1,-0.1 2,-0.0 -2,-0.0 -0.860 36.9-172.1-134.6 90.1 37.8 139.9 17.5 17 17 A T - 0 0 91 -2,-0.5 -1,-0.2 0, 0.0 -2,-0.0 0.912 5.3-173.5 -59.4 -78.2 37.2 137.8 20.7 18 18 A V - 0 0 94 2,-0.0 2,-0.1 0, 0.0 70,-0.1 0.661 34.2-105.3 73.7 117.6 35.8 134.3 20.1 19 19 A P - 0 0 24 0, 0.0 3,-0.3 0, 0.0 28,-0.1 -0.433 19.2-151.6 -77.0 145.9 34.9 132.4 23.3 20 20 A N S S+ 0 0 41 1,-0.3 2,-1.5 -2,-0.1 70,-0.2 0.832 90.0 13.3 -72.2 -98.0 37.0 129.6 24.7 21 21 A N S S+ 0 0 24 68,-0.1 25,-1.6 23,-0.1 26,-0.5 -0.671 82.5 172.6 -82.6 92.9 34.6 127.4 26.5 22 22 A K - 0 0 6 -2,-1.5 68,-1.5 66,-0.5 69,-0.5 -0.706 13.1-160.4 -88.7 146.9 31.3 128.7 25.3 23 23 A I E -b 48 0B 0 24,-2.5 26,-1.3 -2,-0.3 2,-0.3 -0.996 3.6-158.5-133.5 139.0 28.2 126.7 26.4 24 24 A T E -bc 49 92B 0 67,-2.2 69,-3.0 -2,-0.4 2,-0.5 -0.842 3.9-159.1-111.2 145.8 24.7 126.7 24.8 25 25 A V E -bc 50 93B 0 24,-3.5 26,-1.7 -2,-0.3 2,-0.8 -0.892 7.5-156.6-126.7 98.5 21.5 125.7 26.5 26 26 A V E S+bc 51 94B 2 67,-1.9 69,-2.8 -2,-0.5 70,-0.8 -0.676 72.2 29.1 -73.5 111.8 18.8 124.8 24.0 27 27 A G - 0 0 6 24,-2.3 25,-0.2 -2,-0.8 68,-0.1 0.306 60.0-150.1 108.3 129.0 15.7 125.3 26.0 28 28 A V + 0 0 0 22,-0.1 -1,-0.1 4,-0.1 5,-0.1 -0.033 54.2 123.0-119.8 33.6 15.0 127.7 28.9 29 29 A G S > S- 0 0 34 3,-0.1 4,-2.7 4,-0.1 5,-0.4 -0.144 86.6 -73.4 -80.5-178.1 12.4 125.7 30.8 30 30 A Q H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.910 140.4 40.3 -40.7 -60.5 12.6 124.6 34.4 31 31 A V H > S+ 0 0 40 1,-0.2 4,-2.1 217,-0.2 3,-0.3 0.972 114.6 56.0 -48.5 -61.8 15.2 122.0 33.4 32 32 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.735 110.2 40.6 -43.7 -42.5 16.8 124.5 31.1 33 33 A M H X S+ 0 0 4 -4,-2.7 4,-3.5 -3,-0.3 5,-0.3 0.851 108.3 61.9 -83.5 -34.2 17.4 127.2 33.6 34 34 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.4 5,-0.3 0.947 108.7 44.2 -48.1 -52.7 18.5 124.8 36.3 35 35 A C H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.879 112.8 51.9 -58.8 -41.4 21.3 123.9 33.9 36 36 A A H X S+ 0 0 0 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.935 113.1 43.3 -67.1 -41.4 22.0 127.6 33.1 37 37 A I H X S+ 0 0 7 -4,-3.5 4,-2.0 2,-0.2 5,-0.2 0.930 114.6 47.0 -72.6 -45.6 22.3 128.6 36.8 38 38 A S H X S+ 0 0 12 -4,-2.3 4,-1.3 -5,-0.3 5,-0.2 0.908 114.0 50.4 -56.3 -47.0 24.4 125.6 38.0 39 39 A I H X>S+ 0 0 0 -4,-2.0 5,-2.1 -5,-0.3 4,-0.5 0.941 110.3 51.6 -53.2 -48.1 26.6 126.2 35.0 40 40 A L H <5S+ 0 0 0 -4,-2.2 33,-0.6 1,-0.2 -2,-0.2 0.826 108.6 46.2 -66.3 -40.6 26.9 129.8 35.9 41 41 A G H <5S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.679 109.9 51.8 -75.7 -21.8 27.9 129.5 39.5 42 42 A K H <5S- 0 0 85 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.562 111.8-132.5 -86.5 -11.2 30.6 126.9 38.9 43 43 A S T <5 + 0 0 21 -4,-0.5 -3,-0.2 -5,-0.2 -2,-0.1 0.852 55.7 148.2 72.9 41.8 31.6 129.5 36.4 44 44 A L < + 0 0 12 -5,-2.1 2,-0.4 -6,-0.2 -4,-0.1 0.836 52.1 64.5 -83.8 -26.9 32.0 127.0 33.5 45 45 A A - 0 0 2 -6,-0.3 3,-0.2 1,-0.1 -23,-0.2 -0.723 45.0-176.0 -96.5 139.5 31.0 129.4 30.7 46 46 A D S S+ 0 0 10 -25,-1.6 2,-0.2 1,-0.4 -24,-0.2 0.097 96.2 28.5-104.8 9.2 32.7 132.5 29.5 47 47 A E S S- 0 0 16 -26,-0.5 -24,-2.5 28,-0.1 -1,-0.4 -0.736 73.0-166.6-160.2 125.2 29.7 132.7 27.3 48 48 A L E -bd 23 77B 0 28,-2.2 30,-1.9 -2,-0.2 2,-0.4 -0.835 7.8-165.8-100.5 149.2 26.3 131.4 28.0 49 49 A A E -bd 24 78B 0 -26,-1.3 -24,-3.5 -2,-0.3 2,-0.6 -0.982 4.6-162.8-138.4 126.1 23.7 131.1 25.2 50 50 A L E -bd 25 79B 0 28,-1.9 30,-1.1 -2,-0.4 2,-0.3 -0.922 9.7-177.2-112.4 116.8 20.0 130.5 25.6 51 51 A V E +b 26 0B 0 -26,-1.7 -24,-2.3 -2,-0.6 2,-0.3 -0.751 17.5 135.7-105.8 155.1 17.9 129.3 22.7 52 52 A D - 0 0 31 28,-0.3 3,-0.0 -2,-0.3 -2,-0.0 -0.925 55.3-121.0-177.7 169.1 14.2 128.7 22.6 53 53 A V S S+ 0 0 118 -2,-0.3 2,-2.2 1,-0.1 3,-0.1 0.692 95.2 85.3 -92.4 -28.7 10.9 129.3 20.6 54 54 A L > - 0 0 110 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.534 65.9-175.5 -74.6 80.2 9.3 131.2 23.4 55 55 A E H > S+ 0 0 111 -2,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.764 73.0 45.6 -51.0 -45.8 11.0 134.5 22.3 56 56 A D H >> S+ 0 0 109 2,-0.2 4,-2.3 -3,-0.1 3,-0.7 0.998 115.7 42.2 -61.1 -68.9 9.8 136.8 25.1 57 57 A K H 3> S+ 0 0 45 520,-0.3 4,-3.4 1,-0.3 5,-0.3 0.924 109.4 60.5 -46.4 -53.5 10.5 134.5 28.2 58 58 A L H 3X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.905 109.6 41.3 -30.8 -62.1 13.8 133.5 26.6 59 59 A K H < S+ 0 0 1 -4,-2.0 3,-0.8 -3,-0.3 4,-0.3 0.952 110.7 58.7 -67.1 -47.0 20.8 136.3 34.5 66 66 A Q H >< S+ 0 0 32 -4,-3.0 3,-2.7 1,-0.3 -2,-0.2 0.916 99.4 57.5 -49.3 -48.2 22.5 139.3 33.1 67 67 A H H >< S+ 0 0 3 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.888 102.3 56.0 -53.5 -43.0 21.4 141.3 36.0 68 68 A G G X< S+ 0 0 0 -4,-1.2 3,-2.2 -3,-0.8 4,-0.3 0.384 75.0 110.8 -59.1 1.4 23.3 138.9 38.2 69 69 A S G X + 0 0 9 -3,-2.7 3,-1.2 1,-0.3 5,-0.3 0.728 63.9 65.5 -65.9 -36.2 26.6 139.3 36.4 70 70 A L G < S+ 0 0 34 -3,-0.6 -1,-0.3 431,-0.2 -2,-0.1 0.857 105.6 47.8 -38.5 -43.5 28.4 141.1 39.2 71 71 A F G < S+ 0 0 37 -3,-2.2 -1,-0.2 513,-0.0 -2,-0.2 0.472 110.2 60.3 -88.0 -3.8 28.1 137.8 41.2 72 72 A L S < S- 0 0 9 -3,-1.2 -31,-0.1 -4,-0.3 -32,-0.0 -0.579 74.6-129.1-113.7 176.1 29.3 135.5 38.3 73 73 A Q S S+ 0 0 48 -33,-0.6 -3,-0.1 -2,-0.2 -4,-0.1 -0.453 72.7 112.2-122.5 51.9 32.4 135.0 36.2 74 74 A T - 0 0 0 -5,-0.3 -28,-0.2 1,-0.1 -26,-0.1 -0.800 42.4-174.9-135.3 93.3 30.5 135.0 32.8 75 75 A P + 0 0 44 0, 0.0 2,-0.4 0, 0.0 -28,-0.1 0.614 69.8 38.1 -60.4 -25.0 31.1 138.0 30.5 76 76 A K + 0 0 107 -30,-0.1 -28,-2.2 2,-0.0 2,-0.5 -0.987 52.2 170.4-141.2 119.5 28.6 137.3 27.8 77 77 A I E +d 48 0B 8 -2,-0.4 2,-0.2 -30,-0.2 -28,-0.2 -0.967 18.2 166.5-134.4 109.9 25.1 135.9 28.1 78 78 A V E -d 49 0B 30 -30,-1.9 -28,-1.9 -2,-0.5 2,-0.3 -0.716 11.5-172.6-120.7 169.5 23.1 136.1 24.8 79 79 A A E +d 50 0B 19 -2,-0.2 2,-0.3 -30,-0.2 -28,-0.2 -0.885 14.0 146.3-169.6 131.7 19.9 134.5 23.7 80 80 A D - 0 0 65 -30,-1.1 -28,-0.3 -2,-0.3 5,-0.1 -0.937 51.6-116.5-160.0 164.0 17.9 134.2 20.6 81 81 A K S S+ 0 0 113 -2,-0.3 2,-0.5 -30,-0.2 -30,-0.1 0.157 94.4 90.5 -80.4 15.1 15.6 131.8 18.8 82 82 A D S > S- 0 0 77 1,-0.1 3,-2.0 41,-0.0 4,-0.3 -0.954 78.7-139.9-131.2 112.9 18.1 131.7 16.1 83 83 A Y T 3 S+ 0 0 20 -2,-0.5 44,-0.2 1,-0.3 4,-0.1 0.322 88.8 93.5 -69.7 18.9 20.9 129.1 16.3 84 84 A S T 3 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.524 77.9 55.9 -84.5 -8.8 23.1 131.9 15.1 85 85 A V S < S+ 0 0 32 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.738 96.3 64.9 -85.8 -24.8 24.0 132.8 18.8 86 86 A T S > S+ 0 0 1 -4,-0.3 3,-1.1 -6,-0.1 -2,-0.1 0.501 71.9 135.4 -81.3 -6.0 25.2 129.4 19.6 87 87 A A T 3 + 0 0 33 1,-0.2 41,-0.2 -3,-0.1 40,-0.1 -0.119 68.5 15.4 -41.0 138.4 28.0 129.7 17.1 88 88 A N T 3 S+ 0 0 95 39,-1.7 -66,-0.5 1,-0.2 2,-0.4 0.627 82.3 160.0 69.7 30.3 31.3 128.4 18.6 89 89 A S < - 0 0 4 -3,-1.1 41,-0.2 38,-0.2 -1,-0.2 -0.616 38.3-154.2 -91.7 134.6 30.2 126.5 21.5 90 90 A K S S+ 0 0 57 -68,-1.5 42,-1.3 -2,-0.4 2,-0.3 0.541 86.3 14.4 -74.3 -8.4 32.3 123.9 23.1 91 91 A I E - e 0 132B 0 -69,-0.5 -67,-2.2 40,-0.2 2,-0.4 -0.908 62.2-157.5-171.8 132.5 29.1 122.1 24.4 92 92 A V E -ce 24 133B 0 40,-2.2 42,-2.4 -2,-0.3 2,-0.7 -0.989 9.3-156.3-126.4 118.9 25.4 122.3 23.7 93 93 A V E -ce 25 134B 0 -69,-3.0 -67,-1.9 -2,-0.4 2,-0.9 -0.859 10.4-155.5 -97.6 111.9 23.0 121.2 26.4 94 94 A V E +ce 26 135B 0 40,-3.6 43,-1.9 -2,-0.7 42,-1.7 -0.743 34.9 149.6 -98.6 97.4 19.7 120.2 24.7 95 95 A T + 0 0 19 -69,-2.8 -68,-0.2 -2,-0.9 -63,-0.2 0.399 36.7 133.4 -99.2 -2.3 16.7 120.5 27.2 96 96 A A + 0 0 15 -70,-0.8 2,-0.1 -3,-0.1 21,-0.1 -0.040 41.9 31.4 -46.0 145.9 14.4 121.3 24.3 97 97 A G S S- 0 0 49 40,-0.1 2,-0.1 19,-0.1 16,-0.1 -0.460 88.6 -27.1 110.9-168.5 11.1 119.7 24.0 98 98 A V - 0 0 63 11,-0.2 40,-0.4 -2,-0.1 2,-0.2 -0.379 49.3-161.9 -87.4 163.6 8.1 118.1 25.8 99 99 A R - 0 0 137 1,-0.1 -1,-0.1 -2,-0.1 2,-0.0 -0.638 31.9 -57.8-130.4-174.2 8.3 116.5 29.2 100 100 A Q - 0 0 20 -2,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.269 33.8-146.1 -70.2 148.5 6.2 114.1 31.3 101 101 A Q > - 0 0 122 4,-0.1 3,-4.1 1,-0.1 142,-0.1 -0.856 58.4 -62.9-102.8 155.5 2.7 114.5 32.5 102 102 A E T 3 S+ 0 0 138 -2,-0.3 -1,-0.1 1,-0.3 137,-0.1 -0.066 130.1 6.4 -37.8 102.7 1.8 113.0 35.9 103 103 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 136,-0.1 136,-0.1 0.115 93.5 146.4 116.7 -18.8 2.4 109.4 35.2 104 104 A E < - 0 0 26 -3,-4.1 -1,-0.3 1,-0.1 2,-0.3 -0.142 47.9-121.8 -76.1 140.7 4.0 109.4 31.8 105 105 A S > - 0 0 41 1,-0.2 3,-1.8 -5,-0.0 4,-0.3 -0.565 15.1-133.2 -76.0 136.6 6.6 107.1 30.6 106 106 A R G > S+ 0 0 4 -2,-0.3 3,-1.2 1,-0.3 -1,-0.2 0.809 107.6 60.8 -50.4 -34.7 9.7 108.8 29.4 107 107 A L G > S+ 0 0 27 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.561 91.4 66.8 -74.5 -11.1 9.5 106.5 26.3 108 108 A N G < S+ 0 0 92 -3,-1.8 4,-0.3 1,-0.2 -1,-0.3 0.486 88.4 65.2 -91.0 -9.8 6.2 108.0 25.3 109 109 A L G <> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.3 5,-0.3 0.411 76.6 97.2 -88.2 3.6 7.6 111.4 24.5 110 110 A V H <> S+ 0 0 19 -3,-0.6 4,-2.3 1,-0.2 5,-0.3 0.887 75.3 51.4 -67.9 -48.2 9.6 109.9 21.7 111 111 A Q H > S+ 0 0 143 -3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.947 118.3 38.6 -55.3 -50.8 7.4 110.6 18.7 112 112 A R H > S+ 0 0 97 -4,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.869 118.1 45.3 -66.2 -43.0 7.2 114.3 19.6 113 113 A N H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.806 109.8 57.4 -79.1 -24.5 10.7 115.0 20.8 114 114 A V H X S+ 0 0 4 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.960 104.2 53.0 -60.8 -44.7 12.0 113.1 17.8 115 115 A N H < S+ 0 0 88 -4,-1.4 4,-0.3 -5,-0.3 -1,-0.2 0.636 111.8 45.5 -73.6 -16.2 10.2 115.6 15.7 116 116 A V H >X S+ 0 0 47 -4,-0.7 3,-1.4 -3,-0.3 4,-0.5 0.881 108.8 51.1 -86.5 -57.7 11.8 118.5 17.4 117 117 A F H 3X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.3 -2,-0.2 0.629 105.3 65.0 -51.7 -14.6 15.4 117.2 17.4 118 118 A K H 3< S+ 0 0 71 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.843 110.8 30.2 -79.1 -38.6 14.7 116.7 13.7 119 119 A F H <4 S+ 0 0 145 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.097 126.4 46.0-109.8 15.5 14.3 120.4 12.9 120 120 A I H X S+ 0 0 12 -4,-0.5 4,-1.2 3,-0.1 -3,-0.2 0.543 97.4 63.7-122.2 -25.5 16.7 121.6 15.7 121 121 A I H X S+ 0 0 0 -4,-1.1 4,-1.9 -5,-0.3 5,-0.2 0.885 98.8 53.4 -76.0 -39.0 19.8 119.5 15.5 122 122 A P H > S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.764 107.1 55.8 -60.3 -26.7 20.9 120.5 12.0 123 123 A Q H > S+ 0 0 74 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.871 106.7 50.0 -74.4 -32.9 20.7 124.1 13.3 124 124 A I H X S+ 0 0 0 -4,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.909 112.2 44.8 -68.8 -43.9 23.1 123.2 16.1 125 125 A V H < S+ 0 0 28 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.819 104.4 66.3 -75.2 -29.8 25.7 121.6 13.9 126 126 A K H < S+ 0 0 146 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.956 113.9 27.3 -49.5 -56.3 25.5 124.4 11.4 127 127 A Y H < S+ 0 0 77 -4,-1.2 -39,-1.7 1,-0.3 -1,-0.2 0.432 138.2 25.2 -94.4 0.6 26.9 127.0 13.8 128 128 A S < + 0 0 4 -4,-0.6 3,-0.5 -3,-0.3 -1,-0.3 -0.477 58.3 161.9-164.8 80.8 29.0 124.6 15.9 129 129 A P S S+ 0 0 85 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.116 78.4 56.1 -96.4 20.8 30.1 121.3 14.3 130 130 A D S S+ 0 0 107 -41,-0.2 2,-0.4 23,-0.1 -5,-0.0 -0.307 83.7 118.4-135.4 55.9 32.8 120.6 16.8 131 131 A C - 0 0 0 -3,-0.5 2,-0.5 26,-0.1 -40,-0.2 -0.980 66.3-123.7-124.8 135.2 30.6 120.8 19.9 132 132 A I E -e 91 0B 10 -42,-1.3 -40,-2.2 -2,-0.4 2,-0.7 -0.668 30.3-145.2 -74.0 122.3 29.9 118.0 22.4 133 133 A I E -ef 92 158B 0 24,-2.2 26,-2.2 -2,-0.5 2,-0.7 -0.826 9.0-160.7 -97.2 111.3 26.1 117.6 22.4 134 134 A I E -ef 93 159B 0 -42,-2.4 -40,-3.6 -2,-0.7 2,-0.6 -0.848 8.5-156.9 -89.6 116.2 24.6 116.8 25.8 135 135 A V E +ef 94 160B 0 24,-1.8 26,-2.4 -2,-0.7 27,-0.3 -0.869 31.1 150.8 -94.2 120.4 21.1 115.3 25.3 136 136 A V + 0 0 11 -42,-1.7 -41,-0.2 -2,-0.6 -1,-0.2 0.710 40.5 102.2-109.8 -49.1 18.8 115.6 28.4 137 137 A S S S- 0 0 10 -43,-1.9 6,-0.2 1,-0.1 -41,-0.1 0.048 78.9 -62.7 -35.7 138.9 15.3 115.8 26.7 138 138 A N S S+ 0 0 23 -40,-0.4 2,-0.1 -43,-0.1 -40,-0.1 -0.490 118.8 33.4 -98.7 165.5 13.5 112.5 27.0 139 139 A P S > S- 0 0 2 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.569 83.3-171.4 -70.6 135.1 13.5 109.7 26.4 140 140 A V H > S+ 0 0 1 53,-0.2 4,-1.8 1,-0.2 5,-0.1 0.837 73.4 50.0 -80.9 -35.0 17.1 110.6 26.7 141 141 A D H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.865 113.3 46.5 -68.8 -39.6 18.8 107.4 25.5 142 142 A I H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.883 113.4 48.1 -72.6 -38.7 16.8 107.2 22.2 143 143 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.769 105.0 59.1 -78.8 -24.4 17.2 110.9 21.5 144 144 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.953 111.0 42.9 -55.3 -47.9 21.0 110.5 22.1 145 145 A Y H X S+ 0 0 10 -4,-1.6 4,-1.5 1,-0.3 -2,-0.2 0.884 115.5 49.1 -65.6 -43.2 20.8 107.9 19.2 146 146 A V H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -1,-0.3 0.733 111.3 49.6 -63.7 -27.8 18.6 110.2 17.2 147 147 A T H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 6,-0.3 0.890 109.8 51.2 -83.0 -37.4 21.0 113.1 17.8 148 148 A W H X S+ 0 0 39 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.855 111.4 47.4 -57.5 -38.9 23.9 111.0 16.7 149 149 A K H < S+ 0 0 85 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 117.5 39.2 -85.2 -32.1 22.3 110.0 13.5 150 150 A L H < S+ 0 0 56 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.796 114.8 54.1 -81.9 -30.6 21.1 113.4 12.5 151 151 A S H < S- 0 0 12 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.720 83.5-143.4 -87.3 -29.8 24.2 115.2 13.6 152 152 A G < + 0 0 74 -4,-1.3 -3,-0.1 1,-0.3 -4,-0.1 0.480 55.1 133.6 75.1 0.7 27.1 113.5 11.9 153 153 A L - 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