==== 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 OXIDOREDUCTASE 26-JUL-04 1U4O . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR R.CONNERS,A.CAMERON,J.READ,F.SCHAMBACH,R.B.SESSIONS,R.L.BRAD . 309 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 78.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.0 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 1 1 0 0 1 0 3 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 2 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 18 A A 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.2 48.5 38.6 21.1 2 19 A P + 0 0 138 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.277 360.0 126.4 -84.6 6.9 44.9 39.8 21.2 3 20 A K S S- 0 0 64 1,-0.1 25,-0.1 25,-0.0 24,-0.1 -0.382 75.2 -97.2 -48.6 144.5 44.4 38.2 17.7 4 21 A A - 0 0 16 23,-0.4 25,-2.2 69,-0.1 2,-0.5 -0.370 30.1-137.7 -64.6 147.4 41.4 36.0 18.0 5 22 A K E -a 29 0A 52 66,-0.3 68,-2.6 23,-0.2 69,-1.7 -0.973 19.4-168.3-109.0 124.1 42.0 32.3 18.6 6 23 A I E -ab 30 74A 2 23,-2.9 25,-2.4 -2,-0.5 2,-0.6 -0.956 2.7-161.7-119.7 115.0 39.7 30.1 16.4 7 24 A V E -ab 31 75A 1 67,-2.8 69,-2.6 -2,-0.5 2,-0.8 -0.889 5.4-157.3-105.1 122.7 39.6 26.4 17.3 8 25 A L E -ab 32 76A 0 23,-3.1 25,-2.6 -2,-0.6 2,-1.2 -0.866 6.5-157.6 -96.7 104.1 38.2 24.0 14.7 9 26 A V E S+ab 33 77A 0 67,-2.5 69,-2.5 -2,-0.8 70,-1.8 -0.769 78.1 34.9 -86.8 95.3 37.1 20.9 16.6 10 27 A G - 0 0 3 23,-2.5 24,-0.2 -2,-1.2 23,-0.2 0.153 66.4-158.2 116.6 118.7 37.3 18.5 13.7 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.226 47.6 123.9-122.9 40.0 39.9 18.8 11.0 12 29 A G S > S- 0 0 33 3,-0.1 4,-1.8 4,-0.0 67,-0.0 0.184 84.8 -58.3 -80.6-153.2 38.3 16.9 8.1 13 30 A M H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.929 138.6 47.8 -63.3 -45.3 37.7 18.3 4.6 14 31 A I H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 108.1 58.2 -61.9 -35.4 35.6 21.2 5.8 15 32 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 103.5 49.9 -60.4 -43.1 38.2 22.0 8.4 16 33 A G H X S+ 0 0 14 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.921 111.8 48.3 -67.3 -35.1 41.0 22.5 5.9 17 35 A V H X S+ 0 0 29 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.916 111.3 51.3 -72.0 -37.9 38.8 24.8 3.8 18 36 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.936 110.0 48.6 -58.9 -45.8 37.9 26.8 6.9 19 37 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.913 110.7 51.9 -58.5 -44.7 41.6 27.2 7.8 20 38 A T H X S+ 0 0 55 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.941 111.5 46.0 -57.8 -48.6 42.4 28.3 4.3 21 39 A L H X S+ 0 0 44 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.852 108.0 56.1 -68.2 -35.1 39.7 31.0 4.3 22 40 A I H <>S+ 0 0 2 -4,-2.4 5,-2.3 2,-0.2 4,-0.4 0.932 111.2 44.7 -62.6 -42.9 40.6 32.2 7.8 23 41 A V H ><5S+ 0 0 0 -4,-2.1 3,-1.0 2,-0.2 -2,-0.2 0.920 110.3 54.1 -66.0 -43.8 44.2 32.9 6.6 24 42 A Q H 3<5S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.887 117.9 37.2 -53.8 -39.9 43.0 34.5 3.4 25 43 A K T 3<5S- 0 0 93 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.356 103.6-131.7 -96.4 0.6 40.9 36.8 5.5 26 44 A N T < 5 + 0 0 84 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.884 52.4 153.4 50.7 45.5 43.5 37.2 8.2 27 45 A L < - 0 0 18 -5,-2.3 -23,-0.4 1,-0.3 2,-0.3 0.754 55.9 -64.0 -83.3 -26.2 40.7 36.5 10.8 28 46 A G - 0 0 1 -6,-0.3 -1,-0.3 -25,-0.1 -23,-0.2 -0.915 66.5 -47.3 163.2 174.5 42.8 35.1 13.6 29 47 A D E -a 5 0A 30 -25,-2.2 -23,-2.9 -2,-0.3 2,-0.4 -0.447 55.9-145.0 -66.9 147.3 45.0 32.2 14.7 30 49 A V E -ac 6 60A 1 29,-3.2 31,-2.4 -25,-0.2 2,-0.5 -0.953 15.5-165.5-123.3 136.5 43.7 28.8 14.0 31 50 A V E -ac 7 61A 10 -25,-2.4 -23,-3.1 -2,-0.4 2,-0.9 -0.986 10.2-155.5-112.1 121.0 43.9 25.5 15.8 32 51 A L E -ac 8 62A 0 29,-2.8 31,-2.0 -2,-0.5 2,-0.4 -0.860 21.8-173.4 -88.5 102.8 43.0 22.4 13.8 33 52 A F E +ac 9 63A 9 -25,-2.6 -23,-2.5 -2,-0.9 2,-0.3 -0.811 14.5 149.0 -98.3 140.2 42.0 19.9 16.5 34 53 A D - 0 0 29 29,-2.1 -2,-0.0 -2,-0.4 29,-0.0 -0.970 51.6-127.2-162.6 154.0 41.2 16.3 15.8 35 54 A I S S+ 0 0 104 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.759 85.8 98.1 -73.5 -22.9 41.3 13.0 17.5 36 55 A V S S- 0 0 78 1,-0.1 -2,-0.1 -3,-0.1 2,-0.1 -0.488 82.4-118.4 -68.1 127.2 43.3 11.6 14.5 37 56 A K S S- 0 0 145 -2,-0.3 2,-2.4 1,-0.2 -1,-0.1 -0.397 79.5 -9.5 -66.7 141.3 47.1 11.6 15.2 38 57 A N S >> S+ 0 0 125 1,-0.2 4,-1.9 -2,-0.1 3,-0.8 -0.223 106.2 94.1 78.4 -50.3 49.4 13.8 13.1 39 58 A M H 3> S+ 0 0 57 -2,-2.4 4,-2.5 1,-0.3 5,-0.3 0.844 83.3 50.6 -46.2 -49.6 47.0 14.7 10.3 40 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.866 109.8 52.0 -62.0 -35.4 45.9 18.1 11.8 41 60 A H H <> S+ 0 0 90 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.880 110.2 49.1 -63.7 -40.0 49.6 19.1 12.2 42 61 A G H X S+ 0 0 43 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.939 113.6 44.4 -65.8 -45.8 50.2 18.2 8.5 43 62 A K H X S+ 0 0 53 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.885 113.1 52.6 -66.0 -36.5 47.2 20.2 7.3 44 63 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.907 109.2 49.8 -64.3 -41.4 48.2 23.1 9.7 45 64 A L H X S+ 0 0 103 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.961 112.0 46.5 -62.7 -53.1 51.7 23.1 8.3 46 65 A D H >< S+ 0 0 116 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.927 115.4 46.7 -51.9 -49.7 50.5 23.2 4.6 47 66 A T H >< S+ 0 0 8 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.865 102.0 64.8 -66.9 -35.5 48.0 26.0 5.4 48 67 A S H >< S+ 0 0 32 -4,-2.5 3,-1.6 1,-0.3 4,-0.2 0.824 92.2 63.3 -58.9 -31.9 50.4 28.1 7.4 49 68 A H T XX S+ 0 0 103 -4,-1.1 3,-1.7 -3,-0.7 4,-0.6 0.789 86.8 72.1 -66.0 -25.2 52.6 28.7 4.3 50 69 A T H <> S+ 0 0 32 -3,-1.5 4,-2.1 -4,-0.5 -1,-0.3 0.619 74.5 83.4 -70.3 -11.1 49.7 30.5 2.6 51 70 A N H <>>S+ 0 0 22 -3,-1.6 5,-1.8 -4,-0.3 4,-0.8 0.850 89.2 54.0 -53.9 -35.1 50.3 33.5 4.9 52 71 A V H X45S+ 0 0 120 -3,-1.7 3,-0.8 -4,-0.2 -1,-0.2 0.960 111.0 41.5 -67.2 -51.8 53.0 34.5 2.5 53 72 A M H 3<5S+ 0 0 139 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.797 119.2 47.2 -62.3 -29.7 50.8 34.5 -0.6 54 73AA A H 3<5S- 0 0 17 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.466 102.3-125.9 -93.9 -8.3 47.9 36.2 1.4 55 73BA Y T <<5 + 0 0 218 -3,-0.8 -3,-0.2 -4,-0.8 2,-0.2 0.835 68.4 134.0 59.0 34.2 49.9 38.9 3.1 56 74 A S < - 0 0 20 -5,-1.8 -1,-0.2 -6,-0.2 -33,-0.1 -0.543 54.2-150.6-108.1 169.5 48.5 37.6 6.4 57 75 A N + 0 0 116 -2,-0.2 2,-0.5 -34,-0.1 -28,-0.1 -0.466 42.0 138.5-141.7 70.7 49.9 36.7 9.8 58 76 A C - 0 0 1 -10,-0.1 -7,-0.1 -30,-0.1 2,-0.1 -0.970 46.6-134.1-113.0 124.1 47.7 33.9 11.3 59 77 A K - 0 0 131 -2,-0.5 -29,-3.2 -8,-0.0 2,-0.4 -0.453 17.8-163.9 -68.0 140.8 49.3 31.1 13.1 60 78 A V E +c 30 0A 16 -31,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.972 16.9 167.5-128.7 119.4 47.9 27.7 12.1 61 79 A S E -c 31 0A 56 -31,-2.4 -29,-2.8 -2,-0.4 2,-0.2 -0.947 27.8-130.5-132.0 147.2 48.7 24.8 14.4 62 80 A G E -c 32 0A 10 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.567 23.5-166.7 -88.5 161.7 47.4 21.3 14.8 63 81 A S E +c 33 0A 1 -31,-2.0 -29,-2.1 -2,-0.2 3,-0.0 -0.985 31.9 176.0-153.6 138.6 46.2 19.7 18.1 64 83 A N S S+ 0 0 39 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.1 0.053 71.1 89.9-116.1 19.2 45.3 16.3 19.5 65 84 A T > - 0 0 70 1,-0.1 3,-2.0 2,-0.0 4,-0.1 -0.938 63.4-155.1-123.8 117.0 44.7 17.8 22.9 66 85 A Y G > S+ 0 0 29 -2,-0.5 3,-2.2 1,-0.3 -1,-0.1 0.781 91.4 70.6 -56.4 -31.6 41.3 19.1 24.1 67 86 A D G > S+ 0 0 88 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.685 77.5 80.5 -66.4 -15.1 42.9 21.5 26.6 68 87 A D G < S+ 0 0 70 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.569 71.6 81.8 -66.1 -5.5 44.1 23.6 23.6 69 88 A L G X + 0 0 4 -3,-2.2 3,-2.1 -4,-0.1 -1,-0.3 0.659 66.3 119.0 -63.7 -17.1 40.6 24.9 23.6 70 89 A A T < S+ 0 0 44 -3,-2.1 38,-0.2 1,-0.3 37,-0.1 -0.255 80.4 10.1 -56.8 132.7 41.8 27.3 26.4 71 90 A G T 3 S+ 0 0 56 36,-1.2 -66,-0.3 1,-0.2 -1,-0.3 0.542 88.0 158.5 77.0 7.2 41.5 30.9 25.4 72 91 A A < - 0 0 6 -3,-2.1 -1,-0.2 1,-0.2 -66,-0.2 -0.428 26.3-173.1 -66.5 133.5 39.4 30.2 22.3 73 92 A D S S+ 0 0 69 -68,-2.6 39,-2.4 1,-0.3 2,-0.4 0.761 78.6 22.5 -88.6 -35.0 37.3 33.1 21.1 74 93 A V E -bd 6 112A 0 -69,-1.7 -67,-2.8 37,-0.2 2,-0.4 -0.998 66.2-168.4-133.7 135.2 35.5 31.0 18.5 75 94 A V E -bd 7 113A 0 37,-2.3 39,-2.9 -2,-0.4 2,-0.6 -0.997 3.6-165.3-124.0 125.9 35.0 27.2 18.4 76 95 A I E -bd 8 114A 0 -69,-2.6 -67,-2.5 -2,-0.4 2,-0.7 -0.961 9.4-155.6-114.7 116.8 33.6 25.5 15.3 77 96 A V E +bd 9 115A 0 37,-2.7 39,-2.5 -2,-0.6 40,-1.0 -0.845 37.2 141.7-103.8 111.5 32.4 21.9 15.9 78 97 A T + 0 0 29 -69,-2.5 -68,-0.2 -2,-0.7 40,-0.2 0.392 37.5 119.6-117.2 -7.3 32.4 19.6 12.9 79 98 A A + 0 0 25 -70,-1.8 2,-0.2 38,-0.1 38,-0.1 -0.243 37.0 101.0 -60.7 147.5 33.5 16.4 14.7 80 99 A G S S- 0 0 27 37,-0.1 2,-0.1 16,-0.1 13,-0.1 -0.645 71.3 -76.3 148.6 149.8 31.1 13.5 14.7 81 100 A F + 0 0 100 -2,-0.2 37,-0.1 8,-0.2 12,-0.1 -0.467 37.0 171.3 -65.6 145.0 30.4 10.1 13.0 82 101 A T 0 0 101 1,-0.2 -1,-0.1 -2,-0.1 7,-0.1 0.423 360.0 360.0-129.6 -12.0 28.9 10.3 9.5 83 102 A K 0 0 195 6,-0.0 -1,-0.2 3,-0.0 3,-0.0 -0.907 360.0 360.0-137.4 360.0 29.0 6.6 8.4 84 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 108 A N > 0 0 142 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 142.0 20.0 4.1 9.6 86 109 A R G > + 0 0 177 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.807 360.0 69.0 -61.5 -34.0 21.5 7.6 10.0 87 110 A D G > S+ 0 0 30 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.749 84.6 69.4 -55.6 -29.3 19.4 7.7 13.2 88 111 A D G < S+ 0 0 112 -3,-0.8 4,-0.5 1,-0.2 -1,-0.3 0.753 92.8 58.1 -62.6 -25.4 21.7 5.1 14.7 89 112 A L G <> S+ 0 0 25 -3,-1.6 4,-2.6 -4,-0.3 5,-0.3 0.694 84.3 86.0 -77.3 -17.2 24.5 7.7 14.8 90 113 A L H <> S+ 0 0 4 -3,-1.1 4,-1.9 -4,-0.4 -1,-0.2 0.898 89.7 43.3 -56.4 -52.7 22.4 10.0 17.0 91 114 A P H > S+ 0 0 13 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.852 114.5 52.7 -61.7 -31.9 23.3 8.5 20.4 92 115 A L H > S+ 0 0 53 -4,-0.5 4,-1.5 -3,-0.3 -2,-0.2 0.912 111.3 44.9 -65.4 -46.2 27.0 8.3 19.3 93 116 A N H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.808 105.8 60.8 -73.1 -26.7 27.2 11.9 18.3 94 117 A N H X S+ 0 0 8 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.936 104.3 50.8 -59.7 -44.5 25.3 13.0 21.5 95 118 A K H X S+ 0 0 130 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.879 108.8 51.4 -60.6 -39.1 28.3 11.5 23.4 96 119 A I H X S+ 0 0 32 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.942 110.5 48.0 -65.5 -45.0 30.7 13.5 21.2 97 120 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.866 110.6 52.9 -60.6 -38.2 28.8 16.7 22.0 98 121 A I H X S+ 0 0 62 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.954 111.6 44.7 -63.4 -46.4 28.8 15.9 25.7 99 122 A E H X S+ 0 0 99 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.921 115.8 46.4 -62.3 -47.2 32.6 15.4 25.7 100 123 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.916 110.9 53.3 -65.6 -38.7 33.2 18.5 23.7 101 124 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.904 105.2 54.3 -63.4 -42.3 30.8 20.5 25.8 102 125 A G H X S+ 0 0 37 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.892 109.9 47.2 -56.7 -41.4 32.6 19.5 29.0 103 126 A H H X S+ 0 0 53 -4,-1.6 4,-2.6 2,-0.2 5,-0.4 0.852 111.3 50.7 -72.0 -34.4 35.9 20.7 27.6 104 127 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.918 109.1 51.5 -66.4 -41.9 34.3 24.0 26.5 105 128 A K H < S+ 0 0 119 -4,-2.7 -2,-0.2 25,-0.2 -1,-0.2 0.912 118.2 38.0 -61.5 -40.5 32.8 24.6 29.9 106 129 A K H < S+ 0 0 164 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.922 129.9 25.2 -76.1 -45.0 36.2 24.0 31.5 107 130 A N H < S+ 0 0 30 -4,-2.6 -36,-1.2 1,-0.2 -3,-0.2 0.744 133.7 12.4-101.7 -31.8 38.5 25.7 29.0 108 131 A C >< + 0 0 6 -4,-2.0 3,-2.1 -5,-0.4 -1,-0.2 -0.285 58.8 156.2-148.1 59.5 36.7 28.4 27.1 109 132AA P T 3 S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.707 79.4 55.0 -61.6 -21.5 33.3 29.2 28.7 110 132BA N T 3 S+ 0 0 128 -38,-0.1 -5,-0.1 -6,-0.1 2,-0.0 0.330 85.0 117.6 -91.2 2.4 33.3 32.7 27.1 111 133 A A < - 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0 0 47 -2,-0.3 4,-2.3 -3,-0.1 5,-0.1 -0.649 22.0-119.5-103.2 157.7 8.2 31.6 -13.9 202 221 A D H > S+ 0 0 75 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.888 116.4 54.4 -55.3 -41.4 6.6 29.9 -10.9 203 222 A A H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 107.1 48.8 -64.5 -40.1 7.4 26.6 -12.5 204 223 A E H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 110.8 53.0 -60.1 -41.5 11.1 27.4 -12.8 205 225 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.903 105.9 52.4 -66.1 -34.1 11.0 28.5 -9.1 206 226 A E H X S+ 0 0 133 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.916 110.3 47.9 -62.2 -41.2 9.5 25.2 -8.1 207 227 A A H X S+ 0 0 62 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.892 111.9 50.2 -65.8 -39.7 12.3 23.3 -9.8 208 228 A I H X S+ 0 0 21 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.892 108.8 52.7 -65.1 -38.0 14.9 25.7 -8.2 209 229 A F H X S+ 0 0 34 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.937 111.4 45.7 -61.7 -46.3 13.3 25.0 -4.7 210 230 A D H X S+ 0 0 100 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.905 111.9 51.7 -65.9 -37.4 13.5 21.3 -5.2 211 231 A R H < S+ 0 0 113 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.891 108.3 52.8 -64.6 -39.0 17.1 21.6 -6.4 212 232 A T H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 4,-0.3 0.945 109.3 47.2 -61.3 -50.5 18.0 23.7 -3.4 213 233 A V H 3< S+ 0 0 35 -4,-2.2 3,-0.3 1,-0.2 4,-0.2 0.902 120.1 40.2 -58.3 -39.8 16.6 21.1 -0.9 214 234 A N T 3X S+ 0 0 71 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.307 81.9 108.9 -95.7 9.9 18.5 18.3 -2.8 215 235 A T H <> S+ 0 0 2 -3,-1.2 4,-2.2 -4,-0.4 5,-0.2 0.864 76.6 50.3 -62.0 -44.4 21.8 20.1 -3.5 216 236 A A H > S+ 0 0 46 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.945 114.9 46.5 -59.1 -44.5 24.0 18.2 -1.1 217 237 A L H > S+ 0 0 96 -4,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.876 108.7 55.5 -62.6 -39.6 22.6 14.9 -2.6 218 238 A E H X S+ 0 0 64 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.912 110.1 45.4 -60.1 -42.5 23.1 16.2 -6.2 219 239 A I H <>S+ 0 0 49 -4,-2.2 5,-1.9 2,-0.2 3,-0.5 0.920 112.0 51.2 -71.5 -40.4 26.8 16.9 -5.6 220 240 A V H ><5S+ 0 0 76 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.906 108.2 52.7 -60.0 -41.2 27.3 13.5 -3.9 221 241 A N H 3<5S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.707 103.5 58.1 -68.8 -20.9 25.6 11.8 -6.9 222 242 A L T 3<5S- 0 0 122 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.292 124.1-107.0 -86.9 8.8 28.1 13.7 -9.1 223 243 A H T < 5S+ 0 0 181 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.812 84.6 109.1 67.1 36.8 30.9 12.0 -7.1 224 244 A A < - 0 0 56 -5,-1.9 -1,-0.3 2,-0.0 -2,-0.1 -0.847 66.8-123.4-128.0 170.5 32.0 15.0 -5.2 225 245 A S - 0 0 77 -2,-0.3 2,-1.9 -3,-0.1 3,-0.4 -0.978 19.7-137.1-118.0 122.4 31.7 15.9 -1.5 226 246 A P + 0 0 30 0, 0.0 -6,-0.1 0, 0.0 -7,-0.0 -0.454 62.4 119.2 -85.7 69.3 30.0 19.3 -0.8 227 247 A Y > + 0 0 67 -2,-1.9 4,-1.7 2,-0.1 5,-0.1 0.555 54.8 74.0-104.2 -11.2 32.2 20.8 1.9 228 248 A V H > S+ 0 0 88 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.963 99.0 42.9 -71.7 -50.6 33.4 24.0 0.2 229 249 A A H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 112.5 54.4 -63.1 -43.0 30.1 26.1 0.5 230 250 A P H > S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.932 108.6 50.2 -50.7 -45.2 29.5 24.9 4.1 231 251 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.913 111.3 47.3 -60.1 -46.0 33.0 26.1 4.9 232 252 A A H X S+ 0 0 47 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.868 110.6 51.6 -66.4 -39.8 32.4 29.5 3.4 233 253 A A H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.923 110.4 49.3 -60.5 -45.1 29.0 29.9 5.1 234 254 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.921 110.6 49.9 -61.7 -43.0 30.6 29.1 8.5 235 255 A I H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.860 106.7 54.9 -67.7 -31.8 33.4 31.6 8.0 236 256 A E H X S+ 0 0 34 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.931 112.4 44.7 -63.8 -41.0 30.8 34.3 7.0 237 257 A M H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.951 114.9 47.0 -64.4 -50.9 29.1 33.7 10.4 238 258 A A H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.887 111.3 52.1 -61.0 -40.7 32.4 33.6 12.3 239 259 A E H X S+ 0 0 22 -4,-2.8 4,-2.5 2,-0.2 6,-0.3 0.856 104.2 55.5 -65.2 -38.9 33.6 36.8 10.7 240 260 A S H <>S+ 0 0 0 -4,-1.6 5,-1.9 -5,-0.2 6,-0.7 0.889 112.9 43.9 -62.7 -39.2 30.4 38.7 11.5 241 261 A Y H ><5S+ 0 0 34 -4,-1.7 3,-0.9 3,-0.2 -2,-0.2 0.960 115.4 46.3 -64.0 -54.5 31.0 37.8 15.1 242 262 A L H 3<5S+ 0 0 47 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.816 121.8 35.5 -63.2 -35.7 34.7 38.6 15.2 243 263 A K T 3<5S- 0 0 107 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.319 104.6-122.7-103.1 3.8 34.4 41.9 13.3 244 264 A D T < 5 + 0 0 67 -3,-0.9 -3,-0.2 -4,-0.4 29,-0.1 0.921 55.6 154.7 52.6 49.5 31.1 43.0 14.9 245 265 A L < - 0 0 80 -5,-1.9 28,-0.2 -6,-0.3 -4,-0.1 0.803 41.2-145.2 -75.7 -27.7 29.6 43.3 11.4 246 266 A K + 0 0 94 26,-1.4 27,-0.2 -6,-0.7 2,-0.1 0.842 32.3 175.5 59.9 37.0 26.0 42.8 12.7 247 267 A K E - H 0 272A 57 25,-0.8 25,-2.2 -10,-0.1 2,-0.7 -0.454 36.3-120.1 -66.2 145.2 25.0 40.9 9.6 248 268 A V E + H 0 271A 84 23,-0.2 2,-0.4 -2,-0.1 23,-0.2 -0.827 47.2 165.0 -84.3 114.6 21.6 39.3 9.3 249 269 A L E - H 0 270A 11 21,-2.6 21,-2.2 -2,-0.7 2,-0.6 -0.995 38.8-120.3-138.3 137.8 22.3 35.7 8.8 250 270 A I E + H 0 269A 9 -2,-0.4 -106,-1.4 19,-0.2 -108,-0.4 -0.708 48.9 152.4 -88.5 121.3 20.0 32.7 9.1 251 271 A C E - H 0 268A 0 17,-2.1 17,-2.1 -2,-0.6 2,-0.5 -0.941 51.3 -91.1-142.3 161.9 21.2 30.3 11.7 252 272 A S E +FH 140 267A 1 -112,-2.5 -112,-1.8 -2,-0.3 2,-0.3 -0.669 56.4 160.4 -78.3 126.8 20.0 27.7 14.2 253 273 A T E - H 0 266A 4 13,-2.1 13,-2.0 -2,-0.5 2,-0.3 -0.955 47.4 -79.3-146.2 157.2 19.3 29.4 17.6 254 274 A L E - H 0 265A 26 -119,-0.4 2,-0.4 -116,-0.4 11,-0.2 -0.444 43.6-144.6 -62.6 120.8 17.3 28.8 20.7 255 275 A L E - 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