==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUN-10 3NO3 . COMPND 2 MOLECULE: GLYCEROPHOSPHODIESTER PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES DISTASONIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 238 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.6 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 0 2 1 0 1 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 2 1 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 PARALLEL BRIDGES PER LADDER . 2 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 0 A G 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.9 2.0 23.9 1.9 2 22 A K - 0 0 207 1,-0.1 2,-0.3 2,-0.0 235,-0.1 -0.235 360.0-131.1 -57.9 129.2 -0.7 21.3 2.6 3 23 A D - 0 0 42 230,-0.1 -1,-0.1 1,-0.1 212,-0.1 -0.647 17.3-170.6 -73.1 138.5 -4.3 22.6 2.9 4 24 A N + 0 0 69 -2,-0.3 2,-0.5 210,-0.2 -1,-0.1 -0.253 42.2 126.9-119.8 43.6 -6.1 21.4 6.0 5 25 A T - 0 0 12 215,-0.0 2,-0.3 228,-0.0 215,-0.2 -0.894 37.1-169.3-109.8 128.9 -9.6 22.7 5.1 6 26 A K E -a 220 0A 94 213,-2.7 215,-2.1 -2,-0.5 2,-0.5 -0.761 22.2-110.0-115.6 163.3 -12.7 20.4 5.0 7 27 A V E -a 221 0A 7 -2,-0.3 30,-1.9 213,-0.2 29,-1.2 -0.819 21.3-169.8-109.7 126.1 -16.2 21.1 3.6 8 28 A I E -ab 222 37A 1 213,-2.8 215,-2.4 -2,-0.5 2,-1.0 -0.964 21.4-137.8-110.3 119.6 -19.5 21.6 5.6 9 29 A A E > -ab 223 38A 0 28,-2.6 30,-2.3 -2,-0.5 3,-2.2 -0.709 23.3-133.9 -77.1 102.2 -22.7 21.6 3.5 10 30 A H T 3 S- 0 0 16 213,-2.1 4,-0.4 -2,-1.0 30,-0.1 -0.443 88.7 -5.2 -60.4 121.8 -24.7 24.5 5.1 11 31 A R T 3 S- 0 0 38 -2,-0.2 11,-1.8 10,-0.1 12,-0.5 0.707 129.8 -74.8 61.6 23.9 -28.3 23.2 5.6 12 32 A G S < S- 0 0 1 -3,-2.2 2,-1.6 27,-0.3 15,-0.2 -0.139 81.6 -42.4 74.1-179.2 -27.2 20.0 3.8 13 33 A Y S S+ 0 0 21 13,-2.7 16,-0.2 1,-0.2 7,-0.2 -0.654 79.1 149.3 -83.3 92.9 -26.6 19.9 0.1 14 34 A W + 0 0 52 -2,-1.6 2,-1.7 -4,-0.4 5,-0.2 0.671 47.2 80.0-100.3 -22.1 -29.7 21.9 -0.9 15 35 A K S S+ 0 0 108 209,-0.3 2,-0.3 -3,-0.2 -1,-0.2 -0.426 82.7 85.2 -86.9 61.3 -28.6 23.6 -4.1 16 36 A T S > S- 0 0 34 -2,-1.7 3,-2.1 -3,-0.1 13,-0.1 -0.978 92.9 -62.9-158.0 152.0 -29.2 20.5 -6.2 17 37 A E T 3 S+ 0 0 180 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.102 117.0 2.4 -45.2 127.3 -32.1 18.8 -8.0 18 38 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -4,-0.0 7,-0.1 0.318 105.5 120.4 78.6 -2.3 -35.0 17.7 -5.7 19 39 A S < - 0 0 15 -3,-2.1 2,-0.3 -5,-0.2 -1,-0.2 -0.218 38.9-173.1 -96.7 173.0 -33.3 19.1 -2.6 20 40 A A > - 0 0 2 -7,-0.2 3,-0.8 -9,-0.1 6,-0.4 -0.954 39.3 -81.1-160.1 150.9 -34.3 21.7 0.0 21 41 A Q T 3 S+ 0 0 64 -2,-0.3 56,-0.2 1,-0.2 -9,-0.2 -0.323 111.5 4.5 -57.2 139.6 -32.7 23.4 3.0 22 42 A N T 3 S+ 0 0 3 -11,-1.8 2,-0.2 17,-0.2 -1,-0.2 0.859 103.0 134.3 56.6 41.3 -32.7 21.3 6.2 23 43 A S S <> S- 0 0 0 -3,-0.8 4,-1.9 -12,-0.5 -1,-0.2 -0.716 72.9-111.6-119.4 166.8 -34.2 18.3 4.5 24 44 A I H > S+ 0 0 38 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.943 120.8 52.5 -60.7 -43.6 -33.7 14.5 4.4 25 45 A R H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.888 107.6 50.2 -63.3 -40.0 -32.7 14.9 0.7 26 46 A S H > S+ 0 0 0 -6,-0.4 -13,-2.7 2,-0.2 4,-2.2 0.881 111.4 48.3 -68.5 -36.3 -30.1 17.6 1.6 27 47 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 -15,-0.2 -2,-0.2 0.917 114.1 47.5 -63.2 -47.2 -28.6 15.4 4.3 28 48 A E H X S+ 0 0 41 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.910 112.2 48.7 -61.8 -44.8 -28.5 12.5 1.8 29 49 A R H X S+ 0 0 36 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.876 106.8 55.6 -67.8 -36.8 -26.9 14.6 -0.9 30 50 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.3 0.923 112.7 44.0 -56.2 -45.1 -24.2 15.9 1.5 31 51 A S H ><5S+ 0 0 15 -4,-1.9 3,-1.5 3,-0.2 -2,-0.2 0.913 109.2 57.0 -61.7 -46.3 -23.3 12.3 2.2 32 52 A E H 3<5S+ 0 0 132 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.862 109.0 45.4 -58.6 -40.0 -23.5 11.4 -1.5 33 53 A I T 3<5S- 0 0 27 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.472 113.6-118.5 -78.5 -5.5 -20.9 14.1 -2.4 34 54 A G T < 5 + 0 0 45 -3,-1.5 -3,-0.2 -4,-0.3 -27,-0.2 0.824 47.8 173.1 70.1 32.6 -18.6 13.0 0.5 35 55 A A < - 0 0 2 -5,-2.3 -1,-0.2 1,-0.1 64,-0.2 -0.428 40.4-123.9 -65.0 148.5 -18.7 16.4 2.3 36 56 A Y S S+ 0 0 74 -29,-1.2 63,-2.6 1,-0.2 2,-0.3 0.921 87.2 5.9 -54.7 -49.5 -17.0 16.3 5.8 37 57 A G E -bc 8 99A 0 -30,-1.9 -28,-2.6 61,-0.2 2,-0.4 -0.936 55.5-143.3-140.5 161.1 -20.2 17.5 7.4 38 58 A S E -bc 9 100A 0 61,-2.3 63,-2.4 -2,-0.3 2,-0.3 -0.995 24.1-151.1-123.7 121.0 -23.8 18.4 7.0 39 59 A E E + c 0 101A 3 -30,-2.3 2,-0.3 -2,-0.4 -27,-0.3 -0.654 18.4 172.1 -94.4 145.5 -25.2 21.3 9.0 40 60 A F E - c 0 102A 0 61,-2.0 63,-3.1 -2,-0.3 2,-0.4 -0.985 27.2-122.5-152.9 155.3 -28.8 21.7 10.2 41 61 A D E - c 0 103A 0 -2,-0.3 12,-1.8 61,-0.2 2,-0.4 -0.847 23.9-160.9-109.6 133.4 -30.8 24.0 12.4 42 62 A V E -Dc 52 104A 0 61,-2.9 63,-2.7 -2,-0.4 2,-0.3 -0.939 9.2-179.2-123.4 132.1 -32.8 22.8 15.4 43 63 A H E -D 51 0A 0 8,-2.4 8,-2.6 -2,-0.4 2,-0.5 -0.938 24.2-131.5-120.3 153.8 -35.7 24.3 17.4 44 64 A L E -D 50 0A 0 -2,-0.3 6,-0.2 6,-0.2 72,-0.1 -0.901 26.4-138.5 -99.4 121.0 -37.7 23.1 20.5 45 65 A T > - 0 0 0 4,-2.9 3,-2.1 -2,-0.5 19,-0.2 -0.227 32.0 -96.3 -71.2 166.6 -41.5 23.3 20.0 46 66 A A T 3 S+ 0 0 47 20,-2.3 21,-0.2 17,-0.6 -1,-0.1 0.846 128.7 49.8 -51.1 -40.9 -43.8 24.5 22.9 47 67 A D T 3 S- 0 0 79 19,-0.4 -1,-0.3 2,-0.1 20,-0.1 0.050 124.9-102.2 -91.5 23.6 -44.4 20.9 23.7 48 68 A N S < S+ 0 0 77 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.754 72.1 142.5 65.0 34.5 -40.7 20.0 23.8 49 69 A V - 0 0 43 36,-0.0 -4,-2.9 35,-0.0 2,-0.5 -0.876 46.9-134.1 -99.9 131.4 -40.4 18.2 20.4 50 70 A L E +D 44 0A 10 -2,-0.4 35,-2.6 -6,-0.2 36,-0.5 -0.789 30.9 176.8 -87.9 128.9 -37.1 18.9 18.5 51 71 A V E -DE 43 84A 0 -8,-2.6 -8,-2.4 -2,-0.5 2,-0.6 -0.871 28.4-118.8-131.3 165.2 -37.6 19.8 14.8 52 72 A V E +D 42 0A 0 31,-2.3 2,-0.3 -2,-0.3 -10,-0.2 -0.910 54.3 118.0-116.9 112.6 -35.3 20.8 12.0 53 73 A Y - 0 0 51 -12,-1.8 -2,-0.1 -2,-0.6 -31,-0.1 -0.909 49.2-139.2-170.8 142.9 -35.8 24.2 10.3 54 74 A H S S+ 0 0 45 -2,-0.3 -1,-0.1 -33,-0.1 -12,-0.1 0.975 78.8 63.8 -75.2 -59.6 -33.8 27.5 9.8 55 75 A D S S- 0 0 86 1,-0.1 8,-0.1 2,-0.1 50,-0.1 -0.260 78.2-128.0 -72.8 154.9 -36.2 30.3 10.3 56 76 A N S S+ 0 0 69 1,-0.1 7,-2.0 6,-0.1 8,-0.4 0.742 97.0 47.7 -70.7 -20.3 -38.0 31.0 13.6 57 77 A D E -K 62 0B 88 5,-0.2 2,-0.5 6,-0.1 5,-0.2 -0.965 65.6-166.7-125.7 137.7 -41.4 31.1 11.7 58 78 A I E > S-K 61 0B 0 3,-2.6 3,-2.1 -2,-0.4 16,-0.0 -0.989 76.7 -23.5-126.6 115.2 -42.7 28.6 9.1 59 79 A Q T 3 S- 0 0 123 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.876 130.3 -45.1 53.3 43.4 -45.7 29.5 7.0 60 80 A G T 3 S+ 0 0 76 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.419 115.2 117.0 81.6 1.0 -46.9 32.1 9.7 61 81 A K E < -K 58 0B 70 -3,-2.1 -3,-2.6 10,-0.0 2,-0.7 -0.898 62.1-138.8-105.1 126.0 -46.3 29.7 12.6 62 82 A H E >> -K 57 0B 68 -2,-0.5 3,-1.4 -5,-0.2 4,-0.7 -0.753 17.5-151.5 -85.4 113.8 -43.7 30.6 15.3 63 83 A I G >4 S+ 0 0 0 -7,-2.0 3,-1.1 -2,-0.7 -17,-0.6 0.850 86.2 52.2 -62.4 -44.7 -42.1 27.3 15.9 64 84 A Q G 34 S+ 0 0 14 -8,-0.4 -1,-0.3 1,-0.3 -16,-0.1 0.604 115.9 39.8 -71.1 -15.6 -41.0 27.7 19.5 65 85 A S G <4 S+ 0 0 77 -3,-1.4 2,-0.3 -20,-0.1 -1,-0.3 0.393 104.0 83.4-108.3 0.3 -44.4 28.8 20.8 66 86 A C S << S- 0 0 11 -3,-1.1 -20,-2.3 -4,-0.7 -19,-0.4 -0.715 80.2-116.2-102.6 152.6 -46.4 26.3 18.6 67 87 A T >> - 0 0 51 -2,-0.3 4,-1.0 -21,-0.2 3,-0.6 -0.478 27.4-114.8 -76.7 155.8 -47.1 22.6 19.5 68 88 A Y H >> S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 3,-0.8 0.897 116.3 62.7 -57.2 -38.3 -45.6 19.9 17.2 69 89 A D H 34 S+ 0 0 108 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.857 101.3 50.8 -54.3 -41.0 -49.2 19.0 16.2 70 90 A E H <4 S+ 0 0 86 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.786 121.0 34.7 -64.0 -30.5 -49.8 22.5 14.7 71 91 A L H X< S+ 0 0 0 -4,-1.0 3,-1.7 -3,-0.8 11,-0.3 0.606 90.1 93.2 -99.3 -17.2 -46.5 22.2 12.6 72 92 A K T 3< S+ 0 0 65 -4,-1.9 -1,-0.1 1,-0.3 10,-0.1 0.637 87.6 43.2 -66.4 -26.4 -46.3 18.5 11.7 73 93 A D T 3 S+ 0 0 105 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.397 83.2 118.4-100.0 2.1 -47.9 18.5 8.3 74 94 A L < - 0 0 30 -3,-1.7 8,-2.1 1,-0.1 2,-0.3 -0.402 58.7-132.7 -67.7 142.6 -46.3 21.7 7.0 75 95 A Q B -L 81 0C 112 6,-0.2 6,-0.2 -2,-0.1 5,-0.1 -0.742 3.8-130.0-107.5 150.1 -44.1 21.0 3.9 76 96 A L > - 0 0 16 4,-3.2 3,-2.2 -2,-0.3 -1,-0.1 -0.290 45.3 -87.5 -81.9 174.1 -40.6 22.0 2.8 77 97 A S T 3 S+ 0 0 113 1,-0.3 -57,-0.1 -56,-0.2 -1,-0.1 0.680 130.9 47.1 -59.0 -22.4 -39.7 23.6 -0.6 78 98 A N T 3 S- 0 0 50 2,-0.1 -1,-0.3 -60,-0.0 -58,-0.1 0.176 124.4 -99.9-102.2 14.7 -39.4 20.1 -2.1 79 99 A G S < S+ 0 0 37 -3,-2.2 -2,-0.1 1,-0.3 -59,-0.0 0.323 77.4 137.7 84.1 -7.6 -42.7 18.7 -0.6 80 100 A E - 0 0 41 -5,-0.1 -4,-3.2 1,-0.1 -1,-0.3 -0.386 58.8-108.0 -62.9 152.3 -41.1 16.8 2.4 81 101 A K B -L 75 0C 87 -6,-0.2 -6,-0.2 1,-0.1 -8,-0.1 -0.460 48.9 -80.6 -73.6 150.8 -42.8 17.1 5.7 82 102 A L - 0 0 1 -8,-2.1 2,-0.2 -11,-0.3 -1,-0.1 -0.349 58.4-123.0 -46.1 121.6 -41.1 19.2 8.4 83 103 A P - 0 0 1 0, 0.0 -31,-2.3 0, 0.0 2,-0.2 -0.524 11.8-138.7 -78.0 141.3 -38.5 16.8 9.8 84 104 A T B > -E 51 0A 12 -33,-0.2 4,-2.0 -2,-0.2 -33,-0.3 -0.584 26.5-118.3 -75.2 156.2 -38.4 15.9 13.5 85 105 A L H > S+ 0 0 0 -35,-2.6 4,-3.1 -2,-0.2 5,-0.2 0.911 117.4 58.8 -60.2 -41.2 -34.8 15.8 14.8 86 106 A E H > S+ 0 0 82 -36,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.905 106.5 46.0 -54.0 -48.2 -35.5 12.1 15.5 87 107 A Q H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 112.2 51.9 -59.2 -40.7 -36.2 11.5 11.8 88 108 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.943 113.8 43.7 -63.5 -45.2 -33.1 13.5 10.8 89 109 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.826 107.6 57.7 -70.9 -34.4 -31.0 11.4 13.1 90 110 A K H X S+ 0 0 128 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.920 112.9 42.2 -61.4 -42.1 -32.5 8.1 12.1 91 111 A R H >X S+ 0 0 59 -4,-2.1 3,-0.9 1,-0.2 4,-0.6 0.942 112.5 53.7 -68.9 -43.8 -31.5 8.9 8.5 92 112 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.3 6,-0.2 0.838 97.7 66.1 -61.1 -33.8 -28.0 10.2 9.6 93 113 A K H 3< S+ 0 0 65 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.852 101.7 47.1 -56.7 -38.8 -27.3 7.0 11.5 94 114 A K H << S+ 0 0 121 -3,-0.9 2,-1.1 -4,-0.8 -1,-0.3 0.611 97.0 78.2 -76.6 -15.0 -27.2 5.0 8.2 95 115 A L X< + 0 0 18 -3,-1.1 3,-1.1 -4,-0.6 -1,-0.2 -0.755 62.2 175.0 -96.4 87.1 -25.0 7.7 6.5 96 116 A K T 3 + 0 0 139 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.0 0.741 63.0 62.5 -73.8 -27.3 -21.7 6.6 8.1 97 117 A N T 3 S+ 0 0 91 2,-0.0 2,-0.4 -66,-0.0 -1,-0.2 0.503 89.3 85.6 -74.3 -7.5 -19.2 8.9 6.3 98 118 A I < - 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0 0 32 -18,-2.3 25,-2.1 1,-0.2 2,-0.3 0.437 69.6 -7.9-103.1 -5.0 -13.5 23.7 21.2 174 194 A G E -hi 156 198A 0 -19,-1.2 -17,-1.3 23,-0.3 2,-0.3 -0.987 58.2-114.0-169.8 171.8 -13.8 26.1 18.2 175 195 A L E -hi 157 199A 0 23,-2.1 25,-1.3 -2,-0.3 2,-0.3 -0.915 13.3-171.0-112.4 153.9 -15.2 29.2 16.5 176 196 A D E + i 0 200A 1 -19,-2.3 2,-0.3 -2,-0.3 25,-0.2 -0.798 30.0 168.8-141.8 85.9 -17.6 29.2 13.6 177 197 A Y E - i 0 201A 0 23,-2.1 25,-1.5 -2,-0.3 -18,-0.1 -0.745 40.9 -94.0-117.2 152.6 -17.7 32.9 12.6 178 198 A H E >> - i 0 202A 54 -20,-0.4 4,-1.3 -2,-0.3 3,-1.1 -0.299 42.6-114.8 -58.9 141.9 -19.0 35.0 9.7 179 199 A Y H 3> S+ 0 0 56 23,-1.8 4,-2.3 1,-0.3 5,-0.2 0.838 113.7 58.5 -52.7 -35.4 -16.3 35.6 7.1 180 200 A K H 3> S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.825 100.9 56.2 -66.7 -30.3 -16.2 39.4 7.7 181 201 A V H <> S+ 0 0 30 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.925 109.5 45.7 -62.5 -44.2 -15.3 38.8 11.3 182 202 A L H < S+ 0 0 0 -4,-1.3 -2,-0.2 2,-0.2 6,-0.2 0.859 112.8 50.3 -72.3 -33.1 -12.3 36.7 10.2 183 203 A Q H < S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.912 113.7 45.9 -63.6 -44.2 -11.4 39.4 7.7 184 204 A S H < S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.731 122.9 35.9 -67.1 -29.3 -11.6 42.0 10.4 185 205 A H S >< S+ 0 0 81 -4,-1.8 3,-1.8 -5,-0.1 4,-0.4 -0.693 72.9 171.9-123.8 72.8 -9.6 39.9 12.9 186 206 A P T 3 S+ 0 0 76 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.606 72.9 56.3 -67.4 -13.0 -7.1 38.2 10.5 187 207 A D T 3> S+ 0 0 102 1,-0.2 4,-2.3 2,-0.1 5,-0.1 0.493 82.1 86.5 -89.9 -8.7 -5.0 36.6 13.4 188 208 A W H <> S+ 0 0 29 -3,-1.8 4,-2.1 -6,-0.2 -1,-0.2 0.848 84.3 55.2 -64.0 -32.7 -7.9 34.7 15.0 189 209 A V H > S+ 0 0 7 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.2 0.965 110.7 45.3 -64.1 -46.1 -7.5 31.6 12.7 190 210 A K H > S+ 0 0 107 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.908 109.8 55.4 -58.6 -47.0 -3.8 31.3 13.7 191 211 A D H X S+ 0 0 57 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.886 104.4 54.2 -56.0 -40.4 -4.7 31.8 17.4 192 212 A C H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 4,-0.4 0.917 108.7 48.9 -59.3 -45.4 -7.2 28.9 17.1 193 213 A K H ><5S+ 0 0 122 -4,-1.7 3,-1.6 2,-0.2 -2,-0.2 0.952 112.2 47.6 -55.8 -51.0 -4.4 26.7 15.9 194 214 A V H 3<5S+ 0 0 118 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.888 113.3 49.8 -59.7 -39.4 -2.1 27.8 18.7 195 215 A L T 3<5S- 0 0 37 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.421 114.4-113.8 -80.2 1.2 -5.0 27.1 21.2 196 216 A G T < 5S+ 0 0 66 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.791 76.9 124.1 67.9 28.8 -5.8 23.6 20.0 197 217 A X < - 0 0 7 -5,-2.8 -1,-0.3 -6,-0.2 -23,-0.3 -0.753 59.9-113.7-113.1 163.1 -9.2 24.8 18.7 198 218 A T E -i 174 0A 31 -25,-2.1 -23,-2.1 -2,-0.3 2,-0.4 -0.647 17.4-145.0 -94.1 153.0 -10.9 24.6 15.3 199 219 A S E +i 175 0A 1 -2,-0.2 21,-2.0 -25,-0.2 20,-0.8 -0.974 19.0 177.5-117.0 132.9 -11.8 27.5 13.0 200 220 A N E -ij 176 220A 7 -25,-1.3 -23,-2.1 -2,-0.4 2,-0.4 -0.950 10.7-157.4-132.6 145.8 -15.0 27.4 10.8 201 221 A V E -ij 177 221A 0 19,-0.9 21,-3.1 -2,-0.3 3,-0.4 -0.993 17.1-120.7-131.1 139.6 -16.3 30.1 8.5 202 222 A W E -i 178 0A 58 -25,-1.5 -23,-1.8 -2,-0.4 21,-0.1 -0.904 64.8 -10.6-135.0 158.9 -19.8 30.7 7.2 203 223 A T + 0 0 29 19,-0.3 2,-0.7 -2,-0.3 20,-0.3 0.474 67.4 167.7-104.3 111.3 -21.5 31.0 4.7 204 224 A V + 0 0 0 18,-2.6 21,-0.3 -3,-0.4 -1,-0.1 -0.847 13.6 144.9-103.4 111.3 -18.9 31.2 1.9 205 225 A D + 0 0 52 -2,-0.7 -1,-0.2 18,-0.1 18,-0.1 0.597 43.1 93.7-115.5 -21.4 -20.0 30.9 -1.7 206 226 A D S > S- 0 0 109 1,-0.1 4,-2.4 2,-0.0 5,-0.2 -0.595 70.1-138.1 -77.9 128.6 -17.8 33.2 -3.8 207 227 A P H > S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.838 102.4 52.8 -57.2 -34.6 -14.7 31.3 -5.3 208 228 A K H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.915 111.6 47.4 -66.3 -42.1 -12.2 34.2 -4.5 209 229 A L H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.896 107.8 54.5 -64.9 -43.5 -13.4 34.2 -0.9 210 230 A X H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.954 111.2 46.9 -52.8 -49.7 -13.2 30.3 -0.6 211 231 A E H X S+ 0 0 81 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.911 110.4 52.5 -58.1 -44.8 -9.5 30.7 -1.8 212 232 A E H X S+ 0 0 75 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.903 112.8 44.3 -56.1 -47.7 -8.9 33.5 0.7 213 233 A X H X>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 4,-0.8 0.864 113.0 50.0 -69.6 -37.0 -10.3 31.4 3.6 214 234 A I H ><5S+ 0 0 3 -4,-2.5 3,-1.0 -5,-0.2 -210,-0.2 0.949 111.0 50.6 -66.0 -46.0 -8.3 28.2 2.6 215 235 A D H 3<5S+ 0 0 112 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.874 106.7 54.6 -54.9 -41.9 -5.1 30.4 2.3 216 236 A X H 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.711 117.9-118.7 -65.5 -23.0 -5.9 31.7 5.9 217 237 A G T <<5 + 0 0 38 -3,-1.0 -3,-0.2 -4,-0.8 -18,-0.2 0.729 43.4 177.1 92.9 25.2 -6.0 28.1 7.0 218 238 A V < - 0 0 0 -5,-1.9 -1,-0.2 1,-0.1 -214,-0.1 -0.335 29.5-140.3 -56.2 135.8 -9.6 27.6 8.3 219 239 A D S S+ 0 0 52 -20,-0.8 -213,-2.7 1,-0.2 2,-0.3 0.877 84.2 22.9 -65.3 -37.8 -10.2 24.0 9.4 220 240 A F E -aj 6 200A 21 -21,-2.0 -19,-0.9 -215,-0.2 2,-0.4 -0.970 59.3-157.0-133.6 145.4 -13.8 24.2 7.9 221 241 A I E -aj 7 201A 0 -215,-2.1 -213,-2.8 -2,-0.3 2,-0.5 -0.999 13.2-154.8-115.5 125.1 -15.7 26.1 5.3 222 242 A T E +a 8 0A 4 -21,-3.1 -18,-2.6 -2,-0.4 -19,-0.3 -0.883 32.4 162.2 -98.2 121.3 -19.5 26.2 5.7 223 243 A T E -a 9 0A 1 -215,-2.4 -213,-2.1 -2,-0.5 -18,-0.1 -0.981 54.0-141.9-146.2 150.6 -21.0 26.8 2.2 224 244 A D S S+ 0 0 26 -2,-0.3 -209,-0.3 1,-0.2 -19,-0.1 0.414 107.1 53.3 -85.1 -5.1 -24.1 26.6 0.0 225 245 A L >> + 0 0 55 -21,-0.3 4,-1.5 1,-0.1 3,-0.6 -0.558 66.1 160.5-125.0 64.4 -21.9 25.5 -2.9 226 246 A P H 3> S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.831 70.9 55.7 -61.6 -36.9 -20.0 22.5 -1.3 227 247 A E H 3> S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.854 104.3 54.4 -63.9 -35.3 -19.0 20.8 -4.7 228 248 A E H <> S+ 0 0 76 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.928 109.2 48.5 -61.5 -45.7 -17.3 24.1 -5.8 229 249 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.909 110.9 50.4 -61.3 -40.8 -15.2 24.1 -2.5 230 250 A Q H X S+ 0 0 49 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.900 109.9 50.6 -61.8 -43.4 -14.3 20.4 -3.1 231 251 A K H X S+ 0 0 118 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.932 110.5 48.5 -58.4 -50.5 -13.2 21.2 -6.6 232 252 A I H X S+ 0 0 22 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 112.5 48.6 -57.8 -44.9 -11.0 24.1 -5.5 233 253 A L H X S+ 0 0 27 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.895 112.3 49.5 -65.3 -38.7 -9.4 21.9 -2.7 234 254 A H H < S+ 0 0 120 -4,-2.5 4,-0.4 2,-0.2 3,-0.3 0.933 110.9 48.0 -63.8 -46.9 -8.7 19.1 -5.2 235 255 A S H >< S+ 0 0 74 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.913 111.7 50.9 -60.5 -45.5 -7.1 21.4 -7.8 236 256 A R H 3< S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.784 104.3 58.2 -62.6 -28.9 -4.9 22.9 -5.1 237 257 A A T 3< 0 0 78 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.514 360.0 360.0 -80.0 -3.6 -3.8 19.4 -3.9 238 258 A Q < 0 0 182 -3,-1.3 -3,-0.0 -4,-0.4 -4,-0.0 -0.487 360.0 360.0 -77.8 360.0 -2.4 18.5 -7.4