==== 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 TRANSFERASE 10-JUN-09 3HSI . COMPND 2 MOLECULE: PHOSPHATIDYLSERINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR C.CHANG,H.LI,K.BUCK,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 1346 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 12.3 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 89 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 407 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.6 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 2 3 0 3 0 2 6 10 4 5 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 0 3 5 4 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 . 4 6 14 4 6 0 0 3 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 . 3 0 0 0 0 0 3 0 3 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 4 A N > 0 0 113 0, 0.0 4,-2.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -44.0 5.3 79.7 14.4 2 5 A K H > + 0 0 65 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.838 360.0 49.5 -74.7 -38.2 7.0 76.8 16.0 3 6 A T H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.908 112.0 48.2 -61.4 -44.9 10.0 78.0 14.0 4 7 A K H >> S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.966 112.1 46.7 -61.4 -56.4 9.4 81.5 15.4 5 8 A R H 3X S+ 0 0 33 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.818 106.2 62.5 -54.7 -33.9 9.0 80.3 19.0 6 9 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.920 104.9 44.8 -60.2 -45.0 12.2 78.2 18.5 7 10 A E H < S+ 0 0 3 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.923 110.6 52.4 -65.3 -41.4 17.0 79.8 22.2 11 14 A N H 3< S+ 0 0 26 -4,-2.3 219,-0.4 1,-0.3 -1,-0.2 0.730 102.9 60.4 -65.0 -25.3 17.6 83.6 22.6 12 15 A N T 3< S+ 0 0 37 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.568 79.9 111.8 -77.9 -11.7 16.1 83.4 26.1 13 16 A L S < S- 0 0 8 -3,-1.5 217,-0.5 -4,-0.4 2,-0.3 -0.426 70.8-122.5 -69.2 137.7 18.7 80.9 27.3 14 17 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 215,-0.2 -0.640 31.2-161.5 -75.6 133.0 21.2 82.2 29.9 15 18 A F B -A 228 0A 6 213,-2.3 213,-1.8 -2,-0.3 2,-0.5 -0.941 14.3-148.4-125.4 141.0 24.9 82.0 28.8 16 19 A L E -B 236 0B 4 220,-2.5 220,-2.2 -2,-0.4 211,-0.1 -0.923 31.5-114.8-105.9 125.9 28.2 82.0 30.7 17 20 A A E -B 235 0B 51 -2,-0.5 2,-0.3 218,-0.2 218,-0.3 -0.297 34.1-171.0 -62.0 133.9 31.2 83.5 28.8 18 21 A L - 0 0 2 216,-3.3 2,-0.3 152,-0.0 216,-0.2 -0.944 18.7-132.1-123.0 151.8 34.1 81.1 28.0 19 22 A Q > - 0 0 132 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.787 23.6-123.8 -97.7 145.6 37.5 81.7 26.6 20 23 A A G > S+ 0 0 32 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.799 112.2 59.1 -59.0 -30.1 38.7 79.5 23.7 21 24 A E G 3 S+ 0 0 193 1,-0.2 -1,-0.3 3,-0.0 148,-0.0 0.553 95.1 65.4 -76.6 -9.8 41.7 78.5 25.8 22 25 A Q G < S+ 0 0 52 -3,-2.1 147,-2.0 1,-0.1 2,-0.5 0.458 94.2 70.4 -88.9 -4.5 39.4 77.1 28.5 23 26 A I E < -K 168 0C 8 -3,-1.2 2,-0.5 -4,-0.2 145,-0.2 -0.960 56.9-178.4-121.3 126.4 38.0 74.4 26.2 24 27 A E E -K 167 0C 85 143,-2.7 143,-2.9 -2,-0.5 2,-0.6 -0.968 17.3-150.5-118.6 130.6 39.8 71.3 24.9 25 28 A F E -K 166 0C 31 -2,-0.5 2,-0.2 141,-0.2 141,-0.2 -0.890 23.4-139.2 -89.1 119.8 38.4 68.7 22.6 26 29 A L - 0 0 5 139,-3.1 139,-0.4 -2,-0.6 3,-0.1 -0.590 3.9-144.2 -80.6 145.5 40.1 65.4 23.4 27 30 A G - 0 0 37 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.618 64.9 -2.8 -89.4 -13.8 41.0 63.4 20.4 28 31 A S > - 0 0 47 1,-0.1 4,-1.9 137,-0.1 -1,-0.1 -0.982 69.1 -95.1-168.3 171.0 40.4 59.8 21.5 29 32 A S H > S+ 0 0 3 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.860 119.7 54.7 -72.6 -33.8 39.5 57.3 24.2 30 33 A A H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 110.0 48.2 -59.6 -46.1 43.1 56.7 25.2 31 34 A E H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.842 107.8 54.8 -62.8 -38.7 43.5 60.4 25.7 32 35 A F H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.937 109.7 48.0 -55.6 -49.6 40.2 60.5 27.8 33 36 A K H X S+ 0 0 34 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.929 111.6 49.5 -57.6 -45.6 41.7 57.8 30.0 34 37 A T H X S+ 0 0 70 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.890 112.7 47.5 -63.6 -38.2 45.0 59.8 30.4 35 38 A Q H X S+ 0 0 18 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.883 107.6 55.2 -72.9 -40.3 43.1 63.0 31.2 36 39 A I H X S+ 0 0 3 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.943 111.0 45.8 -54.4 -50.2 40.9 61.2 33.8 37 40 A I H X S+ 0 0 16 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.950 114.4 47.1 -57.7 -51.7 44.1 60.0 35.6 38 41 A E H X S+ 0 0 96 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.891 113.1 48.7 -59.9 -42.4 45.8 63.4 35.5 39 42 A L H < S+ 0 0 23 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.902 113.8 46.4 -69.0 -38.8 42.7 65.2 36.7 40 43 A I H >< S+ 0 0 2 -4,-2.4 3,-1.7 -5,-0.2 -2,-0.2 0.970 111.4 50.9 -64.4 -52.2 42.2 62.8 39.6 41 44 A R H 3< S+ 0 0 141 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 114.8 44.8 -58.0 -28.4 45.9 62.9 40.6 42 45 A N T 3< S+ 0 0 102 -4,-1.5 -1,-0.3 -5,-0.2 2,-0.2 0.431 82.4 120.6 -97.9 1.7 45.8 66.7 40.6 43 46 A A < + 0 0 2 -3,-1.7 4,-0.1 -4,-0.5 34,-0.1 -0.452 28.4 171.3 -70.2 133.5 42.5 67.2 42.5 44 47 A K S S+ 0 0 132 -2,-0.2 -1,-0.1 2,-0.2 32,-0.1 0.542 73.6 16.7-116.7 -9.3 42.8 69.2 45.7 45 48 A K S S+ 0 0 161 1,-0.4 33,-2.5 32,-0.1 2,-0.3 0.696 117.3 2.7-132.2 -42.7 39.2 69.9 46.7 46 49 A R E -l 78 0C 38 31,-0.2 93,-2.5 2,-0.0 2,-0.4 -0.998 36.1-165.9-157.2 146.5 36.6 67.8 45.0 47 50 A I E +lM 79 138C 0 31,-3.0 33,-2.6 -2,-0.3 2,-0.4 -0.955 19.5 177.5-132.5 112.7 35.9 65.0 42.6 48 51 A Y E +lM 80 137C 0 89,-2.8 89,-3.6 -2,-0.4 2,-0.4 -0.976 1.3 178.9-117.7 131.7 32.3 64.6 41.3 49 52 A V E -lM 81 136C 6 31,-2.6 33,-3.6 -2,-0.4 2,-0.4 -1.000 11.2-176.1-133.9 125.9 31.3 62.0 38.8 50 53 A T E +lM 82 135C 3 85,-1.9 85,-0.6 -2,-0.4 2,-0.3 -1.000 25.9 148.1-116.3 129.7 27.9 61.2 37.3 51 54 A A E -l 83 0C 1 31,-2.3 33,-0.5 -2,-0.4 82,-0.1 -0.972 57.7-116.1-149.7 161.0 27.8 58.2 35.0 52 55 A L S S- 0 0 32 -2,-0.3 32,-1.9 1,-0.2 2,-0.3 0.955 94.9 -20.3 -60.0 -49.3 25.5 55.4 33.8 53 56 A Y - 0 0 25 30,-0.2 96,-1.9 -3,-0.1 2,-0.4 -0.968 44.1-144.0-159.9 167.6 27.9 52.9 35.3 54 57 A W B -r 149 0D 2 -2,-0.3 96,-0.2 94,-0.2 2,-0.1 -0.917 35.8-141.1-142.8 99.4 31.4 52.1 36.5 55 58 A Q - 0 0 25 94,-3.1 2,-1.6 -2,-0.4 5,-0.1 -0.357 14.5-120.3 -75.2 145.1 32.3 48.5 35.7 56 59 A K S S+ 0 0 116 4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.682 75.5 107.5 -73.9 88.5 34.2 46.1 37.8 57 60 A D S > S- 0 0 31 -2,-1.6 4,-3.1 1,-0.1 5,-0.3 -0.943 88.9 -76.8-152.8-178.5 37.0 45.6 35.3 58 61 A E H > S+ 0 0 101 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.866 130.6 42.3 -50.1 -45.2 40.6 46.4 34.7 59 62 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.965 115.8 48.6 -69.0 -53.2 39.8 50.0 33.7 60 63 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.867 114.0 47.8 -47.7 -42.6 37.2 50.5 36.4 61 64 A Q H X S+ 0 0 49 -4,-3.1 4,-3.3 2,-0.2 -1,-0.2 0.903 110.5 50.8 -69.9 -42.9 39.6 49.1 39.0 62 65 A E H X S+ 0 0 65 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.915 113.3 44.1 -63.6 -46.6 42.5 51.3 37.8 63 66 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.928 114.8 50.5 -63.0 -45.4 40.4 54.5 37.9 64 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.913 107.2 53.5 -57.6 -47.4 39.0 53.5 41.3 65 68 A D H X S+ 0 0 50 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.909 108.1 51.5 -52.0 -45.9 42.5 52.8 42.6 66 69 A E H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.912 109.7 48.9 -57.4 -44.1 43.5 56.4 41.5 67 70 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.944 111.8 49.0 -61.3 -49.5 40.5 57.8 43.4 68 71 A Y H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.881 110.3 51.6 -60.5 -37.7 41.4 55.8 46.5 69 72 A R H X S+ 0 0 118 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.958 112.1 43.7 -63.5 -52.7 45.0 56.9 46.4 70 73 A V H X S+ 0 0 4 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.875 116.6 48.7 -63.9 -37.9 44.3 60.7 46.1 71 74 A K H < S+ 0 0 8 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.912 109.6 50.9 -66.6 -45.1 41.6 60.4 48.9 72 75 A Q H < S+ 0 0 122 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.926 117.7 41.0 -59.1 -38.0 43.9 58.4 51.2 73 76 A E H < S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.744 123.2 38.2 -82.6 -23.0 46.5 61.2 50.7 74 77 A N S >< S- 0 0 56 -4,-1.7 3,-1.8 -5,-0.2 -1,-0.3 -0.780 70.0-176.7-130.0 83.5 44.1 64.1 50.8 75 78 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.673 79.4 54.3 -61.3 -22.3 41.5 63.2 53.6 76 79 A H T 3 S+ 0 0 86 -32,-0.1 609,-0.5 2,-0.1 -5,-0.1 0.527 75.3 126.7 -91.4 -8.8 39.3 66.3 53.1 77 80 A L < - 0 0 3 -3,-1.8 2,-0.7 -6,-0.2 -31,-0.2 -0.236 61.4-132.4 -48.5 128.6 38.8 65.8 49.4 78 81 A D E -l 46 0C 16 -33,-2.5 -31,-3.0 606,-0.1 2,-0.5 -0.837 32.2-179.5 -89.3 113.9 35.1 65.8 48.6 79 82 A V E +l 47 0C 4 -2,-0.7 2,-0.4 -33,-0.2 -31,-0.2 -0.977 10.4 166.2-124.1 122.4 34.4 62.7 46.4 80 83 A K E -l 48 0C 3 -33,-2.6 -31,-2.6 -2,-0.5 2,-0.6 -0.958 10.3-175.4-139.5 118.1 31.0 61.8 45.1 81 84 A V E -ln 49 117C 0 35,-3.0 37,-3.0 -2,-0.4 2,-0.5 -0.966 8.5-169.9-113.5 116.7 30.4 59.2 42.3 82 85 A L E +ln 50 118C 0 -33,-3.6 -31,-2.3 -2,-0.6 2,-0.3 -0.933 14.4 161.7-109.9 121.8 26.8 59.0 41.3 83 86 A I E -ln 51 119C 0 35,-2.3 37,-2.3 -2,-0.5 -31,-0.2 -0.855 49.4 -68.5-130.6 171.0 25.8 56.1 39.0 84 87 A D E > - n 0 120C 0 -32,-1.9 4,-1.7 -33,-0.5 5,-0.1 -0.398 37.7-142.5 -67.2 135.6 22.5 54.5 38.1 85 88 A W T 4 S+ 0 0 0 35,-2.1 4,-0.3 1,-0.2 -1,-0.1 0.845 97.0 39.7 -62.1 -43.3 20.9 52.5 40.9 86 89 A H T >4 S+ 0 0 23 34,-0.4 3,-1.2 2,-0.2 -1,-0.2 0.896 112.9 53.9 -79.5 -39.4 19.5 49.7 38.9 87 90 A R G >4 S+ 0 0 12 1,-0.3 3,-1.1 2,-0.2 10,-0.3 0.853 103.8 56.4 -66.0 -36.0 22.5 49.3 36.5 88 91 A A G 3< S+ 0 0 0 -4,-1.7 10,-2.5 1,-0.2 11,-0.3 0.657 106.7 52.7 -65.0 -17.6 24.9 49.0 39.4 89 92 A Q G < S+ 0 0 55 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.2 0.072 104.8 53.8-114.9 23.0 22.9 46.0 40.8 90 93 A R S < S- 0 0 95 -3,-1.1 7,-0.5 5,-0.0 2,-0.2 -0.909 77.0-111.2-140.5 173.8 22.7 43.7 37.8 91 94 A N - 0 0 99 -2,-0.3 5,-0.1 1,-0.1 -2,-0.1 -0.575 45.0 -75.9-101.6 168.2 25.1 42.1 35.2 92 95 A L 0 0 116 -2,-0.2 -1,-0.1 1,-0.2 -5,-0.0 -0.265 360.0 360.0 -58.4 146.1 25.7 42.6 31.5 93 96 A L 0 0 143 221,-0.0 -1,-0.2 0, 0.0 221,-0.0 -0.250 360.0 360.0 67.2 360.0 23.0 41.2 29.1 94 ! 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 95 102 A A 0 0 107 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 -53.5 27.9 39.4 41.8 96 103 A T > - 0 0 17 -5,-0.1 4,-1.5 -7,-0.1 -7,-0.1 -0.562 360.0-100.2-112.5 173.0 27.3 43.0 40.7 97 104 A N H > S+ 0 0 9 -7,-0.5 4,-2.1 -10,-0.3 -8,-0.2 0.870 121.0 57.3 -56.0 -42.7 29.2 46.4 40.5 98 105 A A H > S+ 0 0 0 -10,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.904 104.5 50.9 -57.2 -45.5 27.6 47.5 43.8 99 106 A D H > S+ 0 0 68 -11,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.856 109.7 51.4 -60.4 -35.7 29.0 44.5 45.6 100 107 A W H X S+ 0 0 4 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.862 108.0 50.8 -71.9 -34.1 32.4 45.4 44.1 101 108 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.904 111.6 48.5 -65.7 -39.4 32.2 49.0 45.4 102 109 A C H X S+ 0 0 11 -4,-2.3 4,-2.1 92,-0.3 -2,-0.2 0.935 112.0 49.4 -63.8 -43.4 31.3 47.7 48.8 103 110 A E H X S+ 0 0 95 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.898 111.0 49.3 -62.4 -42.9 34.3 45.2 48.6 104 111 A Q H X S+ 0 0 13 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.890 108.6 53.0 -64.4 -43.7 36.7 48.0 47.5 105 112 A R H X>S+ 0 0 30 -4,-2.3 4,-1.2 1,-0.2 5,-0.5 0.936 111.8 45.2 -55.9 -50.2 35.6 50.3 50.3 106 113 A Q H <5S+ 0 0 120 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.889 115.1 48.8 -59.5 -41.2 36.2 47.6 52.9 107 114 A T H <5S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.924 110.2 47.4 -69.2 -48.1 39.6 46.7 51.4 108 115 A Y H <5S- 0 0 78 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.682 90.3-162.4 -73.1 -15.4 41.0 50.2 51.1 109 116 A Q T <5 - 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0 0 1 26,-1.4 28,-0.4 -2,-0.4 87,-0.2 -0.976 40.8-133.1-149.7 140.1 20.4 71.1 80.0 722 276 B P S S+ 0 0 6 0, 0.0 27,-1.1 0, 0.0 2,-0.4 0.956 94.5 21.2 -61.3 -47.0 19.7 73.7 82.7 723 277 B Y S S- 0 0 37 101,-0.3 2,-1.1 25,-0.1 52,-0.0 -0.956 84.7-115.0-121.9 137.7 16.8 71.7 84.2 724 278 B F S S+ 0 0 13 -2,-0.4 53,-0.1 25,-0.2 54,-0.1 -0.592 72.9 120.5 -70.4 102.4 16.0 68.0 83.9 725 279 B N + 0 0 7 -2,-1.1 -1,-0.1 100,-0.3 -2,-0.1 -0.371 37.9 178.9-166.8 64.3 12.7 68.4 82.0 726 280 B F - 0 0 3 100,-0.2 100,-0.2 1,-0.1 2,-0.1 -0.439 35.1-106.5 -79.8 150.2 12.8 66.7 78.6 727 281 B P >> - 0 0 8 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.466 37.9-109.7 -65.3 151.4 10.0 66.6 76.1 728 282 B R H 3> S+ 0 0 56 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.844 117.2 60.5 -53.7 -35.8 8.5 63.2 76.0 729 283 B T H 3> S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.902 108.4 42.4 -62.5 -39.2 9.9 62.6 72.5 730 284 B L H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.830 110.2 58.7 -76.4 -31.2 13.5 63.0 73.8 731 285 B Q H X S+ 0 0 80 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.924 107.8 46.1 -58.1 -43.9 12.6 60.9 76.9 732 286 B H H X S+ 0 0 121 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.881 110.6 52.5 -68.5 -39.1 11.6 58.0 74.6 733 287 B K H X S+ 0 0 36 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.869 109.6 48.8 -66.7 -37.6 14.8 58.3 72.5 734 288 B I H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 109.6 52.7 -64.7 -41.5 17.0 58.2 75.6 735 289 B A H X S+ 0 0 16 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.930 109.2 49.9 -62.6 -43.6 15.2 55.2 76.8 736 290 B T H X S+ 0 0 65 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.896 110.7 49.6 -59.0 -43.7 15.8 53.5 73.4 737 291 B L H ><>S+ 0 0 8 -4,-1.9 5,-2.6 2,-0.2 3,-0.6 0.913 109.1 50.9 -61.6 -45.5 19.5 54.3 73.5 738 292 B L H ><5S+ 0 0 2 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.888 109.6 52.5 -64.2 -35.4 19.9 52.9 77.0 739 293 B E H 3<5S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.690 106.8 52.6 -67.7 -24.5 18.1 49.7 75.8 740 294 B N T <<5S- 0 0 97 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.025 120.5-101.4-102.7 27.5 20.5 49.2 72.8 741 295 B G T < 5S+ 0 0 59 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.738 74.9 143.8 65.3 24.3 23.7 49.4 74.9 742 296 B K < - 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0 0 48 -3,-1.6 11,-0.1 -6,-0.2 12,-0.1 -0.427 47.0-163.2 -68.9 127.9 16.5 78.0 94.9 758 312 B I - 0 0 42 10,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 -0.957 27.2-119.8-108.7 113.5 15.7 79.6 98.3 759 313 B P > - 0 0 27 0, 0.0 3,-2.5 0, 0.0 9,-0.0 -0.288 28.2-118.9 -48.2 131.7 18.1 78.3 101.0 760 314 B P T 3 S+ 0 0 75 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.697 110.5 63.9 -56.9 -24.2 15.8 76.6 103.6 761 315 B E T 3 S+ 0 0 156 2,-0.1 3,-0.1 3,-0.0 -3,-0.0 0.716 96.0 73.9 -69.9 -18.0 16.8 79.0 106.4 762 316 B Q S < S- 0 0 107 -3,-2.5 -4,-0.1 1,-0.1 2,-0.1 -0.495 103.5 -77.4 -91.4 162.7 15.3 81.9 104.4 763 317 B P - 0 0 98 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.345 52.4-120.5 -60.4 136.6 11.5 82.6 104.0 764 318 B F - 0 0 63 -4,-0.1 2,-0.3 -3,-0.1 3,-0.0 -0.633 29.1-178.2 -89.5 133.2 9.9 80.3 101.4 765 319 B K > - 0 0 137 -2,-0.4 3,-1.6 1,-0.0 4,-0.2 -0.912 39.5-110.9-119.8 153.2 8.2 81.5 98.3 766 320 B X G > S+ 0 0 120 -2,-0.3 3,-2.5 1,-0.3 4,-0.3 0.800 112.1 64.9 -59.9 -30.1 6.5 79.2 95.9 767 321 B A G > S+ 0 0 49 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.799 90.5 70.6 -62.6 -26.4 9.0 79.7 93.0 768 322 B G G < S+ 0 0 1 -3,-1.6 4,-0.4 1,-0.3 -10,-0.3 0.638 84.8 67.5 -60.5 -18.3 11.5 78.1 95.3 769 323 B A G <> S+ 0 0 7 -3,-2.5 4,-1.6 -4,-0.2 -1,-0.3 0.655 80.9 81.6 -77.9 -13.5 9.7 74.7 94.9 770 324 B L H <> S+ 0 0 17 -3,-1.7 4,-2.2 -4,-0.3 5,-0.2 0.891 85.8 51.8 -60.7 -47.0 10.8 74.6 91.2 771 325 B P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.875 111.2 50.6 -57.4 -33.8 14.4 73.2 91.7 772 326 B Y H > S+ 0 0 8 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.817 106.1 55.0 -75.1 -31.9 12.8 70.4 93.8 773 327 B L H X S+ 0 0 11 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.941 112.6 42.9 -59.8 -47.9 10.3 69.6 91.1 774 328 B Y H X S+ 0 0 15 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.895 113.3 50.4 -68.1 -41.8 13.2 69.2 88.7 775 329 B E H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.894 109.4 52.1 -63.7 -39.7 15.4 67.2 91.1 776 330 B S H X S+ 0 0 54 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.832 108.1 51.5 -69.8 -31.8 12.5 64.9 91.9 777 331 B N H X S+ 0 0 40 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.885 109.2 50.6 -64.1 -40.7 12.0 64.3 88.1 778 332 B L H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.933 108.4 54.7 -59.3 -43.5 15.7 63.5 87.9 779 333 B R H X S+ 0 0 50 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.887 106.9 46.5 -60.8 -49.4 15.3 61.0 90.8 780 334 B R H X S+ 0 0 57 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.870 113.3 51.5 -61.6 -39.6 12.5 59.0 89.2 781 335 B F H X S+ 0 0 20 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.912 110.3 47.5 -63.2 -43.0 14.5 58.8 86.0 782 336 B C H < S+ 0 0 1 -4,-2.6 86,-0.3 1,-0.2 7,-0.2 0.799 112.6 51.1 -70.1 -26.7 17.6 57.6 87.8 783 337 B E H >< S+ 0 0 89 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.907 107.5 51.9 -69.9 -46.0 15.4 55.1 89.5 784 338 B K H 3< S+ 0 0 146 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.896 118.3 37.4 -54.0 -44.7 13.9 53.9 86.2 785 339 B F T 3X S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 -0.232 76.2 133.7-106.0 40.7 17.5 53.4 84.8 786 340 B E H <> S+ 0 0 80 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.871 73.0 49.4 -57.6 -43.1 19.1 52.1 88.0 787 341 B T H > S+ 0 0 101 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.828 109.7 51.2 -72.2 -30.7 20.8 49.2 86.2 788 342 B Q H >>S+ 0 0 28 2,-0.2 6,-2.0 1,-0.2 5,-1.2 0.855 109.7 51.0 -70.5 -37.2 22.2 51.5 83.5 789 343 B I H ><5S+ 0 0 19 -4,-2.3 3,-0.7 -7,-0.2 -2,-0.2 0.940 111.9 47.0 -61.3 -47.2 23.5 53.8 86.2 790 344 B E H 3<5S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.809 112.6 49.3 -67.2 -30.5 25.2 50.8 87.9 791 345 B S H 3<5S- 0 0 82 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.637 112.5-116.6 -83.5 -14.3 26.7 49.5 84.7 792 346 B G T <<5S+ 0 0 30 -4,-0.9 -3,-0.2 -3,-0.7 -4,-0.1 0.417 87.1 114.4 92.8 1.0 28.1 52.9 83.7 793 347 B Q S - 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0 0 15 -69,-2.9 -69,-0.4 -2,-0.4 3,-0.1 -0.626 23.4-174.3 -70.7 125.4 25.5 60.1 90.8 866 420 B K S S+ 0 0 69 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.575 70.4 7.3 -97.7 -9.6 26.3 56.5 91.8 867 421 B H > - 0 0 63 1,-0.1 3,-2.1 -78,-0.0 -1,-0.3 -0.934 69.6-118.9-169.6 146.2 22.7 55.7 92.9 868 422 B Y G > S+ 0 0 41 -86,-0.3 3,-2.1 1,-0.3 -85,-0.1 0.817 108.8 67.9 -64.3 -30.4 19.3 57.4 92.7 869 423 B T G 3 S+ 0 0 80 1,-0.3 -1,-0.3 -87,-0.1 4,-0.1 0.498 79.8 79.6 -67.3 -3.9 19.0 57.4 96.5 870 424 B E G < S+ 0 0 113 -3,-2.1 2,-0.4 2,-0.1 -1,-0.3 0.585 85.3 72.3 -75.5 -11.4 21.8 59.9 96.6 871 425 B L S < S- 0 0 8 -3,-2.1 2,-0.0 -4,-0.2 -95,-0.0 -0.879 100.5-104.5 -99.2 139.5 19.1 62.4 95.7 872 426 B E - 0 0 89 -2,-0.4 -93,-0.1 1,-0.1 2,-0.1 -0.295 28.4-125.9 -68.9 142.9 16.7 63.2 98.5 873 427 B E >> - 0 0 41 -4,-0.1 3,-2.1 1,-0.1 4,-0.6 -0.393 33.7-100.0 -76.1 164.7 13.2 61.8 98.6 874 428 B L G >4 S+ 0 0 65 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.899 123.6 64.2 -51.9 -43.4 10.2 64.1 98.9 875 429 B N G 34 S+ 0 0 81 1,-0.3 -1,-0.3 7,-0.1 7,-0.1 0.718 99.5 52.6 -51.9 -27.6 10.1 63.2 102.6 876 430 B Q G <4 S+ 0 0 57 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.610 88.1 103.0 -87.9 -13.4 13.5 64.8 103.0 877 431 B Y S << S- 0 0 6 -3,-2.0 5,-0.1 -4,-0.6 -4,-0.0 -0.232 88.8 -81.3 -67.6 156.1 12.5 68.2 101.5 878 432 B P > - 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