==== 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 HYDROLASE 05-FEB-07 2EB0 . COMPND 2 MOLECULE: MANGANESE-DEPENDENT INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR A.SHIMADA,S.KURAMITSU,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/P . 611 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 55 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.8 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 1 0 3 1 2 3 0 0 2 5 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 4 2 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 PARALLEL BRIDGES PER LADDER . 1 0 1 2 1 1 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 . 0 0 0 1 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 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 M 0 0 132 0, 0.0 60,-4.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -20.8 -76.1 49.4 101.5 2 2 A R E +a 61 0A 72 58,-0.2 26,-2.3 60,-0.1 2,-0.3 -0.968 360.0 178.5-123.2 121.3 -79.4 51.2 102.0 3 3 A Y E -ab 62 28A 35 58,-2.8 60,-3.0 -2,-0.5 2,-0.6 -0.913 25.6-144.9-127.1 149.4 -80.2 54.5 100.3 4 4 A V E +ab 63 29A 0 24,-2.3 26,-2.0 -2,-0.3 2,-0.4 -0.952 32.8 173.8-109.6 119.8 -83.1 56.9 100.1 5 5 A V E -ab 64 30A 0 58,-2.3 60,-2.2 -2,-0.6 26,-0.2 -0.972 21.7-151.2-134.7 144.9 -83.3 58.4 96.6 6 6 A G - 0 0 2 24,-0.5 60,-0.1 -2,-0.4 3,-0.1 -0.141 45.8 -64.2 -93.6-164.7 -85.7 60.7 94.7 7 7 A H - 0 0 0 59,-0.2 25,-0.5 58,-0.2 -1,-0.2 -0.269 61.2 -82.0 -81.3 169.3 -86.4 60.8 91.0 8 8 A K S S+ 0 0 58 64,-2.2 25,-0.2 1,-0.2 -1,-0.2 -0.270 119.8 29.4 -62.5 161.0 -84.0 61.6 88.2 9 9 A N S S- 0 0 50 23,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.974 102.2-146.6 46.3 58.4 -83.6 65.4 87.6 10 10 A P - 0 0 1 0, 0.0 26,-0.6 0, 0.0 2,-0.2 -0.212 16.2-159.2 -59.5 143.8 -84.4 65.7 91.3 11 11 A D > - 0 0 22 24,-0.1 4,-1.8 -3,-0.1 5,-0.2 -0.471 43.0 -81.2-108.5-174.7 -86.3 68.7 92.6 12 12 A T H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.898 127.7 54.5 -60.5 -41.7 -86.3 70.1 96.1 13 13 A D H > S+ 0 0 0 130,-0.3 4,-2.7 1,-0.2 5,-0.3 0.924 109.0 49.0 -58.6 -45.0 -88.9 67.6 97.4 14 14 A S H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.862 116.9 40.7 -62.4 -39.5 -86.8 64.6 96.1 15 15 A I H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.924 119.1 43.7 -77.1 -45.7 -83.6 65.9 97.8 16 16 A A H X S+ 0 0 2 -4,-3.1 4,-2.8 -5,-0.2 5,-0.3 0.914 115.0 48.7 -67.1 -43.0 -85.1 67.1 101.0 17 17 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.4 5,-0.3 0.886 112.5 49.4 -64.4 -37.7 -87.3 64.0 101.5 18 18 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 -5,-0.3 -2,-0.2 0.926 114.1 45.0 -66.7 -44.3 -84.3 61.8 100.8 19 19 A I H X S+ 0 0 16 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.934 116.8 43.2 -65.3 -48.2 -82.1 63.6 103.3 20 20 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.908 116.2 47.3 -67.5 -40.1 -84.7 63.8 106.0 21 21 A L H X S+ 0 0 3 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.910 108.2 54.8 -67.7 -41.3 -85.9 60.2 105.6 22 22 A A H X>S+ 0 0 4 -4,-2.3 5,-2.2 -5,-0.3 4,-0.8 0.847 107.1 54.1 -59.1 -33.3 -82.3 58.9 105.5 23 23 A Y H <5S+ 0 0 58 -4,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.929 113.2 39.5 -66.0 -47.5 -81.9 60.7 108.8 24 24 A F H <5S+ 0 0 1 -4,-1.8 104,-2.1 1,-0.2 -2,-0.2 0.805 118.9 46.7 -73.9 -31.1 -84.8 59.0 110.5 25 25 A L H <5S- 0 0 20 -4,-2.9 -1,-0.2 102,-0.2 -2,-0.2 0.558 106.4-128.8 -86.2 -9.3 -84.1 55.6 108.9 26 26 A D T <5S+ 0 0 86 -4,-0.8 2,-0.2 -5,-0.3 -3,-0.2 0.931 70.3 102.8 61.6 46.7 -80.4 55.9 109.8 27 27 A C S - 0 0 14 -26,-0.6 4,-2.6 -2,-0.3 5,-0.2 -0.235 30.5 -96.8 -78.7 171.7 -81.2 72.5 90.5 37 37 A P H > S+ 0 0 28 0, 0.0 4,-2.8 0, 0.0 150,-0.2 0.892 122.1 54.5 -55.0 -46.9 -80.6 76.1 91.6 38 38 A E H > S+ 0 0 6 148,-0.3 4,-2.1 1,-0.2 149,-0.1 0.896 112.5 43.7 -57.1 -42.2 -83.6 76.2 93.9 39 39 A T H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.919 111.2 53.3 -70.3 -43.1 -82.4 73.1 95.8 40 40 A E H X S+ 0 0 124 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.907 109.2 52.0 -57.4 -39.9 -78.8 74.4 95.8 41 41 A F H X S+ 0 0 64 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.957 112.0 43.8 -60.3 -53.7 -80.2 77.6 97.4 42 42 A V H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 6,-0.2 0.924 112.6 49.8 -60.5 -49.3 -82.1 75.7 100.2 43 43 A L H X>S+ 0 0 9 -4,-2.8 5,-2.3 1,-0.2 4,-0.6 0.917 114.4 46.8 -57.3 -43.2 -79.3 73.2 101.1 44 44 A R H ><5S+ 0 0 204 -4,-2.0 3,-0.7 -5,-0.3 -1,-0.2 0.914 110.7 52.7 -65.1 -43.3 -76.9 76.1 101.3 45 45 A K H 3<5S+ 0 0 107 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.930 116.2 37.0 -59.8 -48.4 -79.3 78.2 103.4 46 46 A F H 3<5S- 0 0 31 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.395 112.3-115.1 -88.1 4.2 -79.9 75.6 106.0 47 47 A G T <<5 + 0 0 65 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.789 64.7 143.1 70.8 30.9 -76.4 74.2 106.0 48 48 A V < - 0 0 23 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.846 45.5-126.4-103.9 138.1 -77.1 70.8 104.7 49 49 A M - 0 0 162 -2,-0.4 -5,-0.0 1,-0.1 -1,-0.0 -0.459 29.6 -94.9 -84.3 157.5 -74.6 69.1 102.3 50 50 A E - 0 0 91 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.468 44.0-115.1 -69.5 133.7 -75.5 67.7 98.9 51 51 A P - 0 0 8 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 -0.348 36.8 -92.5 -69.7 151.5 -76.2 63.9 98.9 52 52 A E E -c 30 0A 98 -23,-0.6 -21,-1.8 1,-0.1 2,-0.2 -0.229 43.4-108.0 -61.6 149.6 -73.9 61.5 97.1 53 53 A L E -c 31 0A 73 -23,-0.2 2,-0.4 -21,-0.1 -21,-0.2 -0.577 34.8-172.3 -81.2 143.2 -74.8 60.6 93.5 54 54 A I + 0 0 5 -23,-2.3 3,-0.1 -2,-0.2 -24,-0.0 -0.995 17.5 165.9-134.1 138.9 -76.1 57.1 92.9 55 55 A E + 0 0 154 -2,-0.4 20,-0.4 1,-0.3 2,-0.4 0.561 64.1 48.9-128.2 -16.7 -76.8 55.7 89.4 56 56 A S - 0 0 44 18,-0.1 -1,-0.3 1,-0.1 21,-0.0 -0.990 47.7-168.2-132.1 135.1 -77.2 51.9 90.0 57 57 A A > + 0 0 0 -2,-0.4 3,-2.8 -3,-0.1 24,-0.3 0.536 46.2 135.3 -94.1 -9.3 -79.3 50.0 92.5 58 58 A K T 3 S- 0 0 137 1,-0.3 22,-0.3 22,-0.1 3,-0.1 -0.130 81.9 -1.1 -44.7 122.3 -77.6 46.8 91.7 59 59 A G T 3 S+ 0 0 73 20,-2.2 -1,-0.3 1,-0.2 2,-0.3 0.647 113.3 110.3 69.6 16.2 -76.8 45.0 95.0 60 60 A K < - 0 0 58 -3,-2.8 21,-3.3 19,-0.0 2,-0.5 -0.817 68.4-121.8-122.5 162.8 -78.3 47.8 97.1 61 61 A E E -ad 2 81A 67 -60,-4.0 -58,-2.8 -2,-0.3 2,-0.4 -0.893 36.4-160.8-100.7 127.4 -81.4 48.3 99.3 62 62 A I E -ad 3 82A 0 19,-3.1 21,-3.4 -2,-0.5 22,-1.2 -0.932 23.0-170.5-123.2 136.3 -83.5 51.2 98.1 63 63 A I E -ad 4 84A 2 -60,-3.0 -58,-2.3 -2,-0.4 2,-0.4 -0.977 23.2-151.6-113.1 122.4 -86.1 53.5 99.6 64 64 A L E -ad 5 85A 0 20,-3.6 22,-2.6 -2,-0.5 2,-0.4 -0.828 12.5-172.4-101.0 134.6 -87.8 55.6 96.9 65 65 A V E + d 0 86A 0 -60,-2.2 22,-0.2 -2,-0.4 -58,-0.2 -0.940 62.4 9.8-123.3 146.2 -89.3 59.0 97.7 66 66 A D S S+ 0 0 1 20,-2.0 2,-0.3 -2,-0.4 21,-0.2 0.664 112.9 55.8 68.1 20.1 -91.4 61.3 95.5 67 67 A H - 0 0 0 19,-0.3 19,-0.1 -3,-0.1 24,-0.0 -0.945 41.8-172.6-174.4 155.1 -92.0 58.9 92.6 68 68 A S + 0 0 1 -2,-0.3 24,-0.4 22,-0.1 2,-0.3 -0.409 57.0 102.9-152.8 63.6 -93.4 55.5 91.5 69 69 A E >> - 0 0 30 23,-0.1 3,-2.0 1,-0.1 4,-0.6 -0.938 61.8-143.4-149.3 121.9 -92.5 55.2 87.8 70 70 A K G >4 S+ 0 0 72 22,-0.4 3,-2.1 -2,-0.3 -1,-0.1 0.916 102.3 63.5 -51.4 -45.9 -89.6 53.1 86.6 71 71 A S G 34 S+ 0 0 41 1,-0.3 -1,-0.3 -3,-0.1 134,-0.2 0.638 107.5 41.9 -54.5 -19.6 -88.9 55.7 83.9 72 72 A Q G <4 S+ 0 0 8 -3,-2.0 -64,-2.2 132,-0.1 -1,-0.3 0.437 116.0 54.2-107.8 -1.9 -88.1 58.2 86.7 73 73 A S S << S- 0 0 0 -3,-2.1 -66,-0.1 -4,-0.6 -3,-0.0 -0.289 104.1 -36.0-115.3-162.2 -86.1 55.8 88.8 74 74 A F > - 0 0 2 1,-0.1 3,-0.7 -2,-0.1 -1,-0.3 -0.274 42.3-142.7 -58.8 144.0 -83.2 53.4 88.6 75 75 A D T 3 S+ 0 0 127 -20,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.838 104.1 41.1 -76.1 -32.2 -82.9 51.6 85.3 76 76 A D T > S+ 0 0 17 -21,-0.3 3,-1.8 1,-0.2 4,-0.4 -0.094 71.7 134.5-106.4 33.5 -81.7 48.5 87.1 77 77 A L G X + 0 0 14 -3,-0.7 3,-2.3 1,-0.3 -1,-0.2 0.886 69.3 60.7 -48.2 -45.3 -84.1 48.7 90.1 78 78 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.755 96.6 60.7 -54.6 -29.1 -84.8 45.0 89.8 79 79 A E G < S+ 0 0 107 -3,-1.8 -20,-2.2 2,-0.1 -1,-0.3 0.534 108.2 47.7 -79.3 -7.0 -81.1 44.2 90.4 80 80 A G S < S- 0 0 9 -3,-2.3 2,-0.5 -4,-0.4 -19,-0.2 -0.378 97.7 -93.8-113.8-163.9 -81.3 45.8 93.8 81 81 A K E -d 61 0A 86 -21,-3.3 -19,-3.1 -24,-0.3 2,-0.5 -0.949 25.8-144.0-124.4 115.2 -83.9 45.4 96.6 82 82 A L E +d 62 0A 27 -2,-0.5 -19,-0.2 -21,-0.2 3,-0.1 -0.611 24.2 170.0 -75.9 121.1 -86.8 47.8 96.9 83 83 A I E - 0 0 37 -21,-3.4 17,-2.3 -2,-0.5 2,-0.3 0.808 58.1 -16.7 -98.6 -40.8 -87.6 48.5 100.6 84 84 A A E -de 63 100A 2 -22,-1.2 -20,-3.6 15,-0.2 2,-0.4 -0.993 40.9-147.8-162.8 166.0 -90.1 51.3 100.4 85 85 A I E -de 64 101A 0 15,-1.9 17,-2.5 -2,-0.3 2,-0.5 -0.976 11.9-177.0-142.6 121.5 -91.8 54.1 98.5 86 86 A I E +de 65 102A 1 -22,-2.6 -20,-2.0 -2,-0.4 -19,-0.3 -0.996 34.3 132.3-120.1 119.6 -93.0 57.2 100.3 87 87 A D E - e 0 103A 0 15,-1.9 17,-1.1 -2,-0.5 21,-0.1 -0.905 56.5-139.9-157.9-179.7 -94.7 59.4 97.7 88 88 A H S S+ 0 0 4 -2,-0.3 2,-0.1 15,-0.2 15,-0.1 0.172 72.0 95.3-137.7 13.8 -97.7 61.5 96.7 89 89 A H S S- 0 0 27 1,-0.2 316,-0.5 315,-0.1 314,-0.1 -0.428 86.3 -79.1 -98.4 176.5 -98.1 60.5 93.1 90 90 A K - 0 0 22 314,-0.2 2,-0.6 -2,-0.1 -1,-0.2 -0.367 60.7 -88.7 -70.9 156.8 -100.4 57.9 91.5 91 91 A V + 0 0 2 312,-0.4 310,-1.9 1,-0.2 -1,-0.1 -0.589 63.2 150.4 -72.0 116.2 -99.2 54.3 91.8 92 92 A G + 0 0 18 -2,-0.6 2,-0.4 -24,-0.4 -22,-0.4 0.487 47.8 77.7-123.3 -11.4 -97.0 53.7 88.8 93 93 A L - 0 0 13 -24,-0.2 2,-0.3 306,-0.1 306,-0.2 -0.833 58.7-160.0-105.8 140.3 -94.6 51.2 90.0 94 94 A T - 0 0 64 -2,-0.4 2,-0.3 304,-0.1 304,-0.2 -0.852 11.2-157.8-113.1 151.3 -95.3 47.5 90.5 95 95 A T - 0 0 9 302,-2.3 301,-0.1 -2,-0.3 4,-0.1 -0.867 23.2-144.3-129.0 163.4 -93.2 45.2 92.8 96 96 A T S S+ 0 0 24 -2,-0.3 512,-0.2 300,-0.1 300,-0.2 0.617 87.6 39.6 -99.3 -17.6 -92.4 41.5 93.1 97 97 A E S S- 0 0 40 298,-0.1 300,-0.5 507,-0.1 504,-0.1 -0.896 98.1 -86.9-130.7 159.0 -92.2 41.5 96.9 98 98 A P + 0 0 24 0, 0.0 2,-0.3 0, 0.0 298,-0.2 -0.433 52.6 179.7 -63.1 135.1 -94.2 43.2 99.7 99 99 A I - 0 0 2 296,-0.5 2,-0.7 -2,-0.1 -15,-0.2 -0.869 39.1 -95.4-132.2 167.0 -92.7 46.6 100.4 100 100 A L E -e 84 0A 17 -17,-2.3 -15,-1.9 -2,-0.3 2,-0.5 -0.776 50.9-178.9 -82.4 118.6 -93.5 49.4 102.8 101 101 A Y E +eF 85 409A 0 308,-3.1 308,-2.9 -2,-0.7 2,-0.4 -0.986 12.6 166.8-126.7 126.9 -95.7 51.7 100.7 102 102 A Y E +eF 86 408A 5 -17,-2.5 -15,-1.9 -2,-0.5 2,-0.3 -0.896 8.3 155.4-144.1 111.6 -97.1 55.0 101.9 103 103 A A E -eF 87 407A 2 304,-2.4 304,-2.4 -2,-0.4 -15,-0.2 -0.946 14.2-174.0-133.0 152.3 -98.6 57.5 99.6 104 104 A K - 0 0 30 -17,-1.1 2,-2.3 -2,-0.3 302,-0.2 -0.989 37.1-112.3-144.6 145.6 -101.2 60.3 100.2 105 105 A P S S+ 0 0 69 0, 0.0 2,-0.2 0, 0.0 -17,-0.1 -0.415 74.8 121.8 -80.0 68.2 -102.9 62.6 97.8 106 106 A V S S- 0 0 12 -2,-2.3 50,-0.1 2,-0.1 -2,-0.1 -0.598 76.2 -90.2-119.2-176.7 -101.2 65.8 99.1 107 107 A G S S- 0 0 1 -2,-0.2 2,-0.3 1,-0.1 49,-0.1 0.744 95.5 -1.8 -68.7 -29.2 -99.0 68.5 97.8 108 108 A S > - 0 0 0 1,-0.1 4,-1.0 -21,-0.1 -2,-0.1 -0.973 61.7-112.6-155.9 170.3 -95.5 67.0 98.4 109 109 A T H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.840 116.8 60.0 -75.2 -32.2 -93.6 64.1 99.8 110 110 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.885 99.4 56.5 -61.5 -38.8 -92.3 66.4 102.5 111 111 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 108.0 48.2 -58.8 -41.8 -95.9 67.0 103.6 112 112 A V H X S+ 0 0 0 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.923 113.8 45.5 -64.2 -46.5 -96.3 63.2 104.1 113 113 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.942 112.9 51.0 -61.6 -50.4 -93.1 62.8 106.0 114 114 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.883 107.2 52.5 -56.5 -43.7 -93.9 65.9 108.2 115 115 A E H X S+ 0 0 37 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.849 109.2 50.0 -64.0 -34.7 -97.4 64.6 109.1 116 116 A L H <>S+ 0 0 2 -4,-1.5 5,-3.3 -3,-0.2 6,-0.6 0.905 111.7 50.2 -69.3 -38.9 -95.9 61.3 110.2 117 117 A Y H ><5S+ 0 0 43 -4,-2.2 3,-1.6 4,-0.2 5,-0.3 0.955 113.1 41.3 -64.1 -53.7 -93.4 63.1 112.3 118 118 A F H 3<5S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 111.5 57.8 -64.9 -30.2 -95.7 65.5 114.2 119 119 A K T 3<5S- 0 0 54 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.407 114.2-119.5 -79.6 2.8 -98.2 62.7 114.6 120 120 A D T < 5S+ 0 0 123 -3,-1.6 -3,-0.2 1,-0.1 3,-0.2 0.799 84.8 115.5 62.1 30.1 -95.5 60.7 116.4 121 121 A A > < + 0 0 0 -5,-3.3 3,-2.0 -6,-0.2 4,-0.3 0.152 23.3 114.3-116.6 19.9 -95.9 58.1 113.7 122 122 A I G > >S+ 0 0 9 -6,-0.6 5,-2.0 1,-0.3 3,-1.9 0.858 72.5 65.6 -56.8 -34.7 -92.5 58.2 112.0 123 123 A D G > 5S+ 0 0 38 1,-0.3 3,-1.6 3,-0.2 -1,-0.3 0.701 82.3 78.6 -61.5 -18.3 -91.8 54.7 113.3 124 124 A L G < 5S+ 0 0 3 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.709 102.6 35.2 -64.0 -20.9 -94.7 53.5 111.0 125 125 A I G < 5S- 0 0 6 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.021 135.2 -79.9-121.6 27.1 -92.3 53.7 108.1 126 126 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.335 79.2 152.9 95.5 -7.9 -89.1 52.6 109.8 127 127 A G < - 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