==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-NOV-01 1GQ1 . COMPND 2 MOLECULE: CYTOCHROME CD1 NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS PANTOTROPHUS; . AUTHOR T.SJOGREN,E.H.J.GORDON,M.LOFQVIST,C.D.RICHTER,J.HAJDU, . 1118 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 723 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 335 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 94 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.7 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 6 4 0 4 1 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 6 0 10 23 13 1 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 . 2 0 10 4 0 0 1 0 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 9 A D > 0 0 136 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 172.5 37.6 -10.3 57.1 2 10 A P G > + 0 0 32 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.793 360.0 72.2 -60.6 -27.5 38.2 -7.6 54.5 3 11 A A G > S+ 0 0 33 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.641 74.8 82.7 -66.4 -9.5 38.4 -10.1 51.7 4 12 A A G X> S+ 0 0 38 -3,-1.8 4,-1.7 1,-0.3 3,-1.6 0.760 72.4 79.2 -68.7 -15.1 34.6 -10.7 52.0 5 13 A A H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.3 5,-0.3 0.768 76.6 72.3 -61.9 -23.9 34.3 -7.6 49.8 6 14 A L H <4 S+ 0 0 98 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.805 107.3 34.3 -61.9 -29.7 35.1 -9.9 46.8 7 15 A E H <4 S+ 0 0 125 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.810 130.2 31.5 -93.6 -36.4 31.7 -11.4 47.2 8 16 A D H < S+ 0 0 98 -4,-1.7 -3,-0.2 1,-0.1 -2,-0.2 0.660 122.3 41.1 -99.0 -21.2 29.7 -8.3 48.3 9 17 A H S < S+ 0 0 31 -4,-2.7 2,-0.2 -5,-0.2 -3,-0.2 0.320 90.7 94.1-114.2 9.1 31.4 -5.3 46.6 10 18 A K S S- 0 0 83 -5,-0.3 2,-0.3 -4,-0.1 83,-0.1 -0.592 86.6 -85.9 -94.5 163.0 32.2 -6.6 43.2 11 19 A T + 0 0 69 -2,-0.2 2,-0.3 83,-0.2 -1,-0.1 -0.527 45.1 179.7 -77.9 128.8 29.8 -6.0 40.2 12 20 A R > - 0 0 121 -2,-0.3 3,-0.7 84,-0.2 4,-0.2 -0.758 42.7-111.9-111.5 169.8 27.0 -8.4 39.6 13 21 A T T 3 S+ 0 0 34 -2,-0.3 3,-0.2 1,-0.2 390,-0.1 0.729 118.9 42.0 -74.5 -16.5 24.4 -8.2 36.8 14 22 A D T 3 S+ 0 0 27 388,-0.1 -1,-0.2 1,-0.1 388,-0.2 0.232 104.1 60.5-115.9 14.1 21.8 -7.4 39.6 15 23 A N S < S+ 0 0 31 -3,-0.7 3,-0.3 386,-0.1 -1,-0.1 0.168 81.9 81.2-123.6 18.1 23.6 -5.0 41.9 16 24 A R S S+ 0 0 41 -4,-0.2 82,-0.1 1,-0.2 -1,-0.1 0.479 80.5 68.9 -97.1 -4.0 24.2 -2.2 39.4 17 25 A S + 0 0 28 80,-0.1 -1,-0.2 -3,-0.1 80,-0.1 -0.224 64.5 116.1-115.1 40.4 20.7 -0.7 39.7 18 26 A E S S- 0 0 34 -3,-0.3 80,-0.2 1,-0.1 41,-0.2 -0.706 80.0 -71.1 -98.6 157.3 20.6 0.7 43.2 19 27 A P - 0 0 12 0, 0.0 2,-0.6 0, 0.0 40,-0.5 -0.174 36.2-158.2 -54.9 136.3 20.1 4.5 43.4 20 28 A S - 0 0 20 39,-0.1 2,-1.5 38,-0.1 3,-0.3 -0.973 7.2-158.5-109.1 110.6 22.9 6.9 42.5 21 29 A L > + 0 0 0 33,-2.2 4,-1.9 -2,-0.6 34,-0.1 -0.402 38.0 145.0 -91.6 64.2 22.1 10.1 44.3 22 30 A D T 4 + 0 0 37 -2,-1.5 -1,-0.2 2,-0.2 4,-0.2 0.603 68.0 53.2 -79.7 -13.3 24.2 12.2 42.0 23 31 A N T >4 S+ 0 0 35 -3,-0.3 3,-1.9 2,-0.2 4,-0.3 0.924 112.9 43.1 -81.6 -50.5 21.8 15.2 42.2 24 32 A L G >4 S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 -2,-0.2 0.849 104.8 67.1 -61.9 -32.7 21.9 15.3 46.0 25 33 A A G 3< S+ 0 0 5 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.680 87.7 68.3 -61.8 -20.7 25.7 14.7 45.8 26 34 A Q G < S+ 0 0 154 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.3 0.583 78.3 99.4 -74.9 -13.9 26.1 18.2 44.3 27 35 A Q S < S- 0 0 61 -3,-1.9 2,-0.1 -4,-0.3 -3,-0.0 -0.592 76.6-125.9 -74.9 134.6 25.0 19.8 47.5 28 36 A D - 0 0 144 -2,-0.3 2,-0.3 22,-0.0 -2,-0.1 -0.447 29.0-161.4 -75.8 148.9 27.9 21.1 49.7 29 37 A V - 0 0 42 14,-0.2 2,-0.3 -2,-0.1 18,-0.1 -0.918 19.4-109.0-129.2 158.3 27.9 19.9 53.3 30 38 A A - 0 0 81 -2,-0.3 94,-0.2 16,-0.1 13,-0.0 -0.645 33.1-118.9 -87.1 140.4 29.6 21.0 56.5 31 39 A A - 0 0 12 -2,-0.3 565,-0.2 1,-0.1 12,-0.1 -0.681 32.6-134.0 -78.4 129.9 32.4 18.9 57.9 32 40 A P - 0 0 23 0, 0.0 9,-0.3 0, 0.0 562,-0.1 -0.338 16.7-106.7 -76.4 163.5 31.5 17.5 61.3 33 41 A G - 0 0 8 560,-0.4 560,-0.5 562,-0.1 89,-0.5 -0.445 34.7-126.3 -78.9 166.4 33.7 17.5 64.4 34 42 A A - 0 0 26 560,-0.4 560,-0.4 558,-0.2 6,-0.2 -0.968 15.1-134.3-120.0 129.8 35.1 14.2 65.5 35 43 A P > - 0 0 22 0, 0.0 3,-1.9 0, 0.0 558,-0.1 -0.184 51.8 -55.6 -71.4 174.9 34.8 12.7 69.0 36 44 A E T 3 S+ 0 0 187 1,-0.3 3,-0.1 555,-0.2 557,-0.0 -0.231 127.6 23.5 -55.1 133.0 37.6 11.2 70.9 37 45 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.407 108.0 91.0 92.5 -3.9 39.3 8.3 69.0 38 46 A V < - 0 0 22 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.2 -0.971 68.0-135.2-124.5 142.5 38.2 9.6 65.6 39 47 A S - 0 0 88 -2,-0.4 2,-0.1 -3,-0.1 81,-0.1 -0.829 20.7-125.8-102.1 137.8 40.0 12.0 63.3 40 48 A A - 0 0 59 -2,-0.4 2,-0.3 -6,-0.2 -7,-0.1 -0.408 14.2-137.9 -77.2 151.7 38.2 14.9 61.5 41 49 A L - 0 0 11 -9,-0.3 -1,-0.0 -2,-0.1 73,-0.0 -0.807 26.3-111.6-101.2 147.6 38.3 15.4 57.8 42 50 A S > - 0 0 58 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 -0.253 36.1 -97.7 -69.2 169.4 38.7 18.9 56.4 43 51 A D H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 126.3 45.1 -52.3 -48.7 35.8 20.6 54.6 44 52 A A H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.943 114.7 46.4 -64.9 -48.0 37.3 19.6 51.2 45 53 A Q H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 114.0 48.9 -61.4 -43.9 38.0 16.0 52.2 46 54 A Y H X S+ 0 0 6 -4,-3.3 4,-2.7 2,-0.2 -2,-0.2 0.922 113.5 45.8 -64.6 -43.5 34.6 15.6 53.8 47 55 A N H X S+ 0 0 43 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.897 111.3 52.9 -66.3 -39.1 32.8 17.0 50.8 48 56 A E H X S+ 0 0 78 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.947 113.9 42.8 -60.1 -45.8 34.9 14.9 48.4 49 57 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.893 112.0 54.2 -66.8 -40.2 34.0 11.8 50.4 50 58 A N H X S+ 0 0 8 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.900 106.8 51.3 -61.8 -42.5 30.3 12.8 50.7 51 59 A K H X S+ 0 0 96 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.936 112.8 45.4 -61.4 -48.1 30.1 13.2 46.9 52 60 A I H X>S+ 0 0 12 -4,-1.8 4,-2.9 -5,-0.2 5,-0.6 0.958 113.4 50.9 -58.1 -48.9 31.5 9.7 46.4 53 61 A Y H X>S+ 0 0 3 -4,-3.1 5,-2.7 1,-0.2 4,-2.2 0.921 113.2 44.0 -57.0 -47.6 29.2 8.3 49.2 54 62 A F H <5S+ 0 0 7 -4,-3.0 -33,-2.2 1,-0.2 -1,-0.2 0.899 119.4 41.6 -67.5 -39.9 26.1 9.8 47.7 55 63 A E H <5S+ 0 0 52 -4,-2.5 48,-0.2 -5,-0.2 -1,-0.2 0.849 133.4 15.4 -73.7 -37.7 26.9 8.8 44.1 56 64 A R H <5S+ 0 0 55 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.674 130.8 27.9-113.8 -24.3 28.2 5.3 44.8 57 65 A C T >X< - 0 0 2 -4,-2.2 3,-0.9 -5,-0.3 -3,-0.1 0.383 18.4-100.8 93.8 147.2 21.5 5.0 52.8 63 71 A V T 3 S+ 0 0 1 1,-0.3 -1,-0.1 -5,-0.2 -4,-0.1 0.863 131.5 44.1 -66.3 -31.6 22.5 8.7 53.0 64 72 A L T 3 S- 0 0 29 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.497 113.8-126.4 -87.7 -4.0 21.8 8.3 56.7 65 73 A R S < S+ 0 0 0 -3,-0.9 8,-2.6 -7,-0.1 9,-0.4 0.722 71.7 128.0 65.8 29.5 23.7 5.0 56.7 66 74 A K S S- 0 0 112 6,-0.2 6,-0.4 1,-0.2 -4,-0.2 0.446 73.4-102.1 -92.7 1.6 20.9 3.0 58.3 67 75 A G - 0 0 7 -6,-2.5 -6,-0.2 4,-0.3 4,-0.2 0.210 41.7-177.8 95.3 145.5 21.0 0.4 55.5 68 76 A A S S- 0 0 11 2,-2.3 -8,-0.2 -8,-1.4 -7,-0.1 -0.100 85.4 -20.4-137.7-112.1 19.1 -0.6 52.4 69 77 A T S S+ 0 0 57 -10,-0.4 2,-0.3 -2,-0.1 -8,-0.1 0.767 140.2 55.1 -73.9 -24.1 20.1 -3.7 50.4 70 78 A G S S- 0 0 19 -10,-2.6 -2,-2.3 1,-0.1 3,-0.1 -0.768 103.2 -94.5-103.4 153.0 23.5 -3.2 52.2 71 79 A K - 0 0 128 -2,-0.3 -4,-0.3 -4,-0.2 -1,-0.1 -0.005 48.1 -76.7 -67.7 167.9 23.8 -3.1 56.0 72 80 A A - 0 0 21 -6,-0.4 -6,-0.2 -5,-0.1 -1,-0.1 -0.320 33.7-170.3 -62.4 147.2 23.9 -0.1 58.2 73 81 A L + 0 0 24 -8,-2.6 -7,-0.1 -12,-0.3 -1,-0.1 -0.229 28.0 152.5-132.4 37.7 27.2 1.9 58.4 74 82 A T >> - 0 0 15 -9,-0.4 4,-2.4 1,-0.1 3,-0.7 -0.351 59.1-106.5 -70.4 155.5 26.5 4.1 61.3 75 83 A P H 3> S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.798 117.1 61.8 -56.5 -32.9 29.4 5.4 63.4 76 84 A D H 3> S+ 0 0 97 1,-0.2 4,-1.0 2,-0.2 44,-0.0 0.954 113.5 37.1 -57.2 -45.8 28.6 3.1 66.4 77 85 A L H <> S+ 0 0 61 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.909 118.1 47.9 -73.4 -44.4 29.2 0.1 64.1 78 86 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 41,-0.2 -2,-0.2 0.861 107.4 55.4 -70.7 -31.9 32.1 1.4 62.0 79 87 A R H < S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.856 107.1 51.9 -68.0 -31.4 34.1 2.6 65.0 80 88 A D H < S+ 0 0 141 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.891 111.2 46.7 -69.5 -38.4 33.8 -0.9 66.3 81 89 A L H < S- 0 0 78 -4,-1.7 4,-0.5 1,-0.0 -2,-0.2 0.927 108.2-149.0 -66.4 -45.6 35.1 -2.2 63.0 82 90 A G X - 0 0 22 -4,-2.8 4,-2.2 1,-0.1 5,-0.2 0.156 23.0 -78.2 91.4 154.5 37.9 0.4 63.0 83 91 A F H > S+ 0 0 57 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.864 122.8 56.0 -53.0 -49.3 39.8 2.3 60.4 84 92 A D H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 110.6 43.9 -56.4 -47.0 42.2 -0.5 59.4 85 93 A Y H > S+ 0 0 70 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.918 115.3 49.4 -61.5 -47.2 39.3 -2.9 58.5 86 94 A L H X S+ 0 0 7 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.924 111.5 48.9 -59.3 -44.2 37.4 -0.2 56.7 87 95 A Q H X S+ 0 0 59 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.926 113.8 46.2 -61.0 -46.1 40.5 0.8 54.7 88 96 A S H < S+ 0 0 52 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.901 115.5 45.9 -64.9 -42.1 41.2 -2.9 53.8 89 97 A F H >< S+ 0 0 29 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.956 113.3 48.2 -65.9 -46.5 37.6 -3.6 52.8 90 98 A I H >< S+ 0 0 21 -4,-2.9 3,-2.4 1,-0.3 -1,-0.2 0.737 91.6 79.6 -73.9 -16.4 37.1 -0.4 50.8 91 99 A T T 3< S+ 0 0 86 -4,-1.4 16,-0.3 1,-0.3 -1,-0.3 0.851 84.9 63.8 -58.1 -30.6 40.4 -0.9 48.9 92 100 A Y T < S- 0 0 84 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.580 104.7-134.8 -71.2 -9.0 38.4 -3.4 46.7 93 101 A G < - 0 0 4 -3,-2.4 -1,-0.2 -4,-0.1 13,-0.2 -0.455 22.3 -87.6 84.6-166.8 36.1 -0.7 45.4 94 102 A S - 0 0 17 11,-1.9 -83,-0.2 -2,-0.1 -85,-0.1 -0.893 51.5 -63.6-142.2 167.7 32.4 -1.0 45.1 95 103 A P - 0 0 24 0, 0.0 10,-0.1 0, 0.0 8,-0.1 -0.220 55.7-110.1 -58.4 139.0 29.9 -2.3 42.6 96 104 A A - 0 0 10 8,-0.2 8,-0.2 1,-0.1 -84,-0.2 -0.303 29.5-135.7 -64.0 152.2 29.6 -0.5 39.3 97 105 A G - 0 0 16 6,-2.4 -80,-0.1 1,-0.3 -1,-0.1 0.003 51.4 -37.5 -89.2-157.0 26.5 1.6 38.6 98 106 A M S > S- 0 0 35 -80,-0.2 4,-2.2 1,-0.1 3,-0.4 -0.273 70.2 -98.3 -69.5 151.0 24.5 1.6 35.3 99 107 A P T 4 S+ 0 0 9 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 -0.207 101.4 20.3 -63.3 157.5 26.3 1.4 32.0 100 108 A N T 4 S+ 0 0 55 1,-0.2 417,-0.3 2,-0.1 -2,-0.0 -0.152 138.7 21.2 75.1 -34.0 26.9 4.6 30.0 101 109 A W T 4 S+ 0 0 64 -2,-1.3 -1,-0.2 -3,-0.4 -3,-0.1 0.557 99.4 95.4-131.9 -22.0 26.6 7.0 33.0 102 110 A G S < S- 0 0 26 -4,-2.2 -2,-0.1 1,-0.2 -46,-0.1 -0.126 78.2 -81.6 -78.3 172.9 27.2 5.1 36.2 103 111 A T - 0 0 33 -48,-0.2 -6,-2.4 1,-0.1 -1,-0.2 -0.315 18.2-141.7 -70.4 155.6 30.3 4.7 38.3 104 112 A S - 0 0 69 -8,-0.2 -8,-0.2 2,-0.2 -1,-0.1 0.627 37.5-129.9 -83.6 -20.7 33.0 2.1 37.6 105 113 A G + 0 0 3 1,-0.3 -11,-1.9 -10,-0.1 2,-0.3 0.471 60.4 138.2 81.9 3.7 33.3 1.6 41.4 106 114 A E - 0 0 144 -13,-0.2 2,-0.4 -11,-0.0 -1,-0.3 -0.614 33.1-165.8 -85.9 140.4 37.1 2.0 41.3 107 115 A L - 0 0 33 -2,-0.3 2,-0.1 -16,-0.3 0, 0.0 -0.970 15.3-131.4-127.1 141.3 38.8 4.1 44.0 108 116 A S > - 0 0 56 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.330 36.9-103.3 -76.4 168.3 42.3 5.5 44.3 109 117 A A H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.906 124.5 50.3 -59.6 -41.3 44.3 5.0 47.5 110 118 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 110.6 49.1 -63.7 -44.2 43.6 8.5 48.6 111 119 A Q H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.886 107.0 55.8 -64.1 -37.8 39.8 8.0 48.0 112 120 A V H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.938 109.2 46.3 -58.8 -47.6 39.8 4.8 50.0 113 121 A D H X S+ 0 0 61 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.902 110.3 53.7 -64.7 -38.9 41.3 6.5 53.0 114 122 A L H X S+ 0 0 6 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.918 110.3 47.3 -58.9 -45.9 38.7 9.4 52.7 115 123 A M H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.912 110.5 50.5 -64.9 -43.7 35.9 6.9 52.6 116 124 A A H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.949 114.9 44.6 -60.1 -43.6 37.1 4.9 55.6 117 125 A N H >< S+ 0 0 37 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.902 110.2 54.7 -67.5 -38.7 37.5 8.2 57.6 118 126 A Y H >< S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.907 103.7 55.9 -60.9 -41.1 34.1 9.5 56.4 119 127 A L H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.3 -41,-0.2 0.717 102.6 56.1 -66.6 -20.7 32.4 6.3 57.7 120 128 A L T << S+ 0 0 15 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.538 97.4 80.9 -86.5 -9.2 33.8 6.9 61.2 121 129 A L S < S- 0 0 0 -3,-1.4 -87,-0.1 -4,-0.5 -42,-0.0 -0.517 89.2-102.3 -95.5 164.9 32.2 10.4 61.4 122 130 A D - 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0 0 14 -3,-1.6 13,-0.2 -4,-0.2 -1,-0.1 0.253 23.6-104.4 86.7 146.7 16.1 31.5 83.6 654 102 B S - 0 0 19 11,-1.9 -83,-0.1 1,-0.2 -85,-0.1 -0.528 47.5 -63.9-109.5 168.7 13.4 29.5 81.8 655 103 B P - 0 0 27 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 -0.187 55.6-115.8 -57.6 134.7 9.8 28.8 82.4 656 104 B A - 0 0 13 8,-0.2 8,-0.2 1,-0.1 -84,-0.2 -0.315 26.4-131.9 -65.8 153.3 9.0 26.8 85.5 657 105 B G - 0 0 17 6,-2.3 -80,-0.1 1,-0.2 -1,-0.1 0.014 50.2 -41.7 -85.5-162.0 7.6 23.3 85.2 658 106 B M S > S- 0 0 34 -80,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.244 71.5 -88.7 -67.3 155.4 4.6 21.9 87.1 659 107 B P T 4 S+ 0 0 7 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 -0.149 103.5 11.5 -59.5 154.4 4.0 22.5 90.8 660 108 B N T 4 S+ 0 0 57 1,-0.2 417,-0.3 -3,-0.1 -2,-0.0 -0.158 138.7 26.7 75.2 -41.0 5.5 20.1 93.3 661 109 B W T 4 S+ 0 0 63 -2,-1.8 -1,-0.2 -3,-0.3 -3,-0.1 0.598 96.6 98.5-123.3 -21.1 7.8 18.2 91.0 662 110 B G S < S- 0 0 25 -4,-2.1 -2,-0.1 1,-0.2 -46,-0.1 -0.150 78.1 -83.6 -73.8 167.9 8.7 20.5 88.1 663 111 B T - 0 0 32 -48,-0.2 -6,-2.3 1,-0.1 -1,-0.2 -0.298 18.8-141.1 -66.0 155.5 11.8 22.6 87.5 664 112 B S - 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