==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 20-APR-09 2WGI . COMPND 2 MOLECULE: BETA-LACTAMASE OXA-10; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.VERCHEVAL,C.FALZONE,E.SAUVAGE,R.HERMAN,P.CHARLIER,M.GALLEN . 481 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 6 1.2 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 . 23 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 2 1 4 0 0 0 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 4 1 3 1 0 0 2 0 2 0 2 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 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 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 21 A S 0 0 108 0, 0.0 30,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 113.1 17.5 2.0 79.5 2 22 A I E -a 31 0A 57 28,-0.2 2,-0.3 22,-0.0 30,-0.2 -0.902 360.0-166.4-112.4 128.2 13.7 2.2 79.3 3 23 A T E -a 32 0A 78 28,-2.2 30,-2.2 -2,-0.5 2,-0.4 -0.922 18.7-117.9-124.6 143.5 11.7 5.0 81.0 4 24 A E E -a 33 0A 96 -2,-0.3 2,-0.5 28,-0.2 30,-0.2 -0.606 21.3-172.5 -90.0 130.7 7.9 5.5 81.7 5 25 A N > - 0 0 66 28,-3.4 3,-0.7 -2,-0.4 4,-0.1 -0.914 7.8-179.0-124.2 102.8 5.8 8.2 80.2 6 26 A T G > + 0 0 92 -2,-0.5 3,-1.4 1,-0.2 4,-0.1 0.526 62.7 93.0 -80.0 -4.5 2.2 8.6 81.6 7 27 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.575 86.3 47.7 -70.1 -10.9 1.2 11.5 79.3 8 28 A W G X> S+ 0 0 56 -3,-0.7 3,-1.5 1,-0.1 4,-0.8 0.398 78.1 99.5-110.4 2.2 -0.3 9.2 76.6 9 29 A N H <> + 0 0 53 -3,-1.4 4,-1.5 1,-0.3 5,-0.1 0.523 68.4 75.5 -64.5 -5.7 -2.4 7.1 78.9 10 30 A K H 3> S+ 0 0 151 -3,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.849 95.1 49.3 -72.7 -34.3 -5.4 9.2 77.9 11 31 A E H <> S+ 0 0 29 -3,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.890 111.8 45.7 -71.0 -43.7 -5.5 7.4 74.6 12 32 A F H <>S+ 0 0 12 -4,-0.8 5,-2.3 2,-0.2 4,-0.2 0.869 116.4 46.4 -68.3 -38.2 -5.3 3.8 76.0 13 33 A S H ><5S+ 0 0 94 -4,-1.5 3,-1.0 3,-0.2 -2,-0.2 0.910 112.0 49.3 -69.1 -46.5 -8.0 4.6 78.6 14 34 A A H 3<5S+ 0 0 62 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.821 115.0 45.0 -63.3 -33.4 -10.4 6.4 76.2 15 35 A E T 3<5S- 0 0 66 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.395 105.2-127.1 -92.6 2.4 -10.1 3.4 73.8 16 36 A A T < 5 + 0 0 82 -3,-1.0 2,-0.4 -4,-0.2 -3,-0.2 0.878 59.3 149.9 51.5 44.4 -10.5 0.7 76.5 17 37 A V < - 0 0 12 -5,-2.3 2,-0.7 -6,-0.1 -1,-0.2 -0.870 45.6-150.8-113.1 137.1 -7.3 -0.9 75.2 18 38 A N + 0 0 114 -2,-0.4 193,-2.6 193,-0.3 2,-0.3 -0.910 51.6 112.0-103.3 104.8 -4.6 -2.9 76.9 19 39 A G E -B 210 0A 8 -2,-0.7 2,-0.3 191,-0.3 191,-0.3 -0.890 50.6-124.4-155.5-174.9 -1.4 -2.4 75.1 20 40 A V E -B 209 0A 0 189,-2.6 189,-1.9 -2,-0.3 2,-0.4 -0.999 7.9-161.5-146.0 140.7 2.2 -1.0 75.0 21 41 A F E -B 208 0A 8 -2,-0.3 13,-0.8 187,-0.2 2,-0.4 -0.984 6.5-169.8-120.9 135.3 4.2 1.4 72.8 22 42 A V E +BC 207 33A 0 185,-2.0 185,-1.8 -2,-0.4 2,-0.4 -0.992 8.0 177.6-126.7 123.7 8.0 1.6 72.8 23 43 A L E -BC 206 32A 24 9,-2.1 9,-2.4 -2,-0.4 2,-0.4 -0.993 2.7-176.1-132.1 128.0 9.8 4.4 71.0 24 44 A a E -BC 205 31A 3 181,-2.9 181,-1.8 -2,-0.4 2,-0.3 -0.958 14.8-143.7-127.3 140.3 13.6 5.0 70.8 25 45 A K E S-B 204 0A 123 5,-0.9 2,-3.0 -2,-0.4 5,-0.3 -0.817 73.0 -25.3 -99.9 143.2 15.7 7.8 69.3 26 46 A S S S+ 0 0 69 177,-2.0 2,-0.3 -2,-0.3 178,-0.1 -0.246 132.3 18.5 64.1 -65.7 19.2 7.2 67.6 27 47 A S S > S- 0 0 35 -2,-3.0 3,-1.4 3,-0.2 -2,-0.3 -0.982 75.0-120.1-139.5 143.4 20.0 4.0 69.6 28 48 A S T 3 S+ 0 0 19 -2,-0.3 3,-0.2 1,-0.3 -2,-0.1 0.136 95.9 93.2 -72.7 23.3 17.9 1.5 71.6 29 49 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.3 -4,-0.2 2,-0.3 0.545 92.5 34.9 -90.4 -12.6 20.0 2.4 74.6 30 50 A S S < S+ 0 0 71 -3,-1.4 -5,-0.9 -5,-0.3 2,-0.3 -0.778 79.1 160.6-142.1 101.4 17.4 5.1 75.6 31 51 A a E -aC 2 24A 9 -30,-2.3 -28,-2.2 -2,-0.3 2,-0.3 -0.772 26.1-140.6-116.9 160.2 13.7 4.3 75.0 32 52 A A E +aC 3 23A 39 -9,-2.4 -9,-2.1 -2,-0.3 2,-0.3 -0.898 22.7 170.0-118.5 150.6 10.3 5.6 76.2 33 53 A T E -aC 4 22A 4 -30,-2.2 -28,-3.4 -2,-0.3 3,-0.2 -0.987 39.5-134.0-154.0 162.6 7.1 3.7 77.0 34 54 A N S S+ 0 0 16 -13,-0.8 2,-0.3 -2,-0.3 -12,-0.1 0.727 101.5 29.9 -87.9 -27.5 3.6 3.9 78.6 35 55 A D > - 0 0 62 -14,-0.3 4,-2.3 1,-0.1 -1,-0.3 -0.863 60.1-170.0-139.4 104.2 3.9 0.6 80.6 36 56 A L H > S+ 0 0 83 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.894 90.5 52.2 -53.7 -48.4 7.4 -0.6 81.9 37 57 A A H >4 S+ 0 0 76 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.923 113.9 41.2 -57.9 -49.0 6.0 -4.0 82.9 38 58 A R H >4 S+ 0 0 18 1,-0.2 3,-1.1 2,-0.2 96,-0.4 0.826 99.9 73.2 -72.3 -31.5 4.3 -4.7 79.5 39 59 A A H 3< S+ 0 0 0 -4,-2.3 96,-1.7 1,-0.3 95,-0.6 0.818 108.1 34.8 -51.9 -33.5 7.3 -3.4 77.5 40 60 A S T << S+ 0 0 69 -4,-0.9 -1,-0.3 -3,-0.6 2,-0.2 0.475 92.2 111.5-102.3 -4.5 9.3 -6.5 78.4 41 61 A K < - 0 0 128 -3,-1.1 93,-0.5 -4,-0.4 2,-0.5 -0.511 67.1-123.7 -75.4 140.4 6.4 -9.0 78.5 42 62 A E + 0 0 88 -2,-0.2 2,-0.3 91,-0.2 91,-0.3 -0.726 31.6 174.2 -99.3 125.7 6.6 -11.6 75.7 43 63 A Y B -G 132 0B 34 89,-2.3 89,-3.2 -2,-0.5 0, 0.0 -0.839 45.0 -78.7-121.4 158.5 3.8 -12.3 73.1 44 64 A L - 0 0 31 -2,-0.3 87,-0.2 87,-0.3 136,-0.1 -0.297 38.3-137.7 -49.3 134.4 3.5 -14.5 70.0 45 65 A P > + 0 0 0 0, 0.0 3,-1.6 0, 0.0 81,-0.1 0.785 33.3 180.0 -71.8 -24.5 5.3 -12.7 67.1 46 66 A A G > - 0 0 1 79,-0.8 3,-1.8 1,-0.2 4,-0.1 -0.285 67.5 -10.9 50.8-138.3 2.5 -13.5 64.6 47 67 A S G > S+ 0 0 16 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.547 121.9 79.6 -71.4 -5.9 3.3 -12.1 61.1 48 68 A T G X S+ 0 0 0 -3,-1.6 3,-1.0 1,-0.3 -1,-0.3 0.620 77.8 75.6 -72.5 -10.6 6.2 -10.0 62.3 49 69 A F G <> S+ 0 0 22 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.608 73.7 80.8 -71.9 -12.4 8.1 -13.3 62.2 50 70 A K H <> S+ 0 0 8 -3,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.809 84.3 61.5 -63.3 -28.4 8.2 -12.8 58.4 51 71 A I H <> S+ 0 0 2 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.974 110.2 34.7 -64.9 -58.0 11.2 -10.4 58.9 52 72 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.927 117.3 57.0 -63.7 -40.2 13.6 -12.9 60.5 53 73 A N H X S+ 0 0 6 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.912 105.6 49.8 -51.1 -49.4 12.2 -15.7 58.3 54 74 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.898 110.8 49.3 -59.6 -43.3 13.0 -13.7 55.1 55 75 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.918 114.4 45.2 -62.9 -43.0 16.6 -13.1 56.2 56 76 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 6,-0.3 0.926 108.7 56.3 -69.1 -44.2 17.0 -16.8 57.0 57 77 A G H <>S+ 0 0 0 -4,-3.3 6,-2.3 1,-0.2 5,-1.6 0.885 113.6 40.8 -49.9 -45.9 15.4 -17.8 53.7 58 78 A L H ><5S+ 0 0 10 -4,-2.0 3,-0.7 4,-0.2 -1,-0.2 0.885 112.9 54.6 -70.9 -42.2 17.9 -15.7 51.7 59 79 A E H 3<5S+ 0 0 52 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.902 112.1 43.6 -58.6 -44.4 20.9 -16.8 54.0 60 80 A T T 3<5S- 0 0 30 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.550 112.1-121.1 -78.8 -9.8 20.2 -20.4 53.4 61 81 A G T < 5S+ 0 0 49 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.668 80.2 123.6 74.0 15.5 19.6 -19.9 49.7 62 82 A V S - 0 0 56 93,-0.0 3,-1.4 90,-0.0 -1,-0.1 -0.923 69.9 -71.0-162.2-172.2 17.7 -13.7 45.4 66 86 A E T 3 S+ 0 0 30 -2,-0.3 22,-0.5 1,-0.2 23,-0.3 0.717 124.5 56.6 -62.5 -23.5 15.7 -10.4 45.6 67 87 A H T 3 S+ 0 0 52 20,-0.1 -1,-0.2 21,-0.1 -3,-0.0 0.324 76.0 136.5 -96.9 5.3 14.0 -11.1 42.2 68 88 A Q < - 0 0 58 -3,-1.4 2,-0.5 1,-0.1 20,-0.4 -0.266 42.3-151.3 -50.9 130.9 12.5 -14.5 43.3 69 89 A V - 0 0 49 18,-0.1 2,-1.0 19,-0.1 18,-0.2 -0.954 4.1-147.3-111.7 119.0 8.9 -15.1 42.2 70 90 A F B -H 86 0C 34 16,-2.9 16,-1.8 -2,-0.5 2,-0.1 -0.748 21.4-140.8 -85.9 103.8 6.8 -17.4 44.4 71 91 A K - 0 0 154 -2,-1.0 2,-0.4 14,-0.2 14,-0.1 -0.431 10.2-125.8 -68.5 133.8 4.4 -19.1 42.1 72 92 A W - 0 0 81 -2,-0.1 13,-0.1 1,-0.1 -1,-0.1 -0.696 12.8-143.8 -75.7 130.5 0.8 -19.7 43.3 73 93 A D - 0 0 112 -2,-0.4 -1,-0.1 2,-0.1 10,-0.1 0.549 38.1-112.6 -77.4 -8.3 0.0 -23.4 42.9 74 94 A G S S+ 0 0 41 1,-0.3 -1,-0.1 10,-0.0 3,-0.1 0.351 75.6 128.8 94.5 -5.0 -3.6 -22.6 42.0 75 95 A K - 0 0 138 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.598 69.9 -94.1 -83.6 144.6 -5.1 -24.0 45.2 76 96 A P - 0 0 112 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.298 44.9-162.1 -58.2 137.1 -7.6 -21.9 47.2 77 97 A R - 0 0 55 2,-0.2 6,-0.1 -3,-0.1 4,-0.0 -0.654 32.5 -98.5-115.9 175.9 -6.0 -19.9 50.0 78 98 A A S S+ 0 0 92 -2,-0.2 2,-0.3 4,-0.1 -1,-0.0 0.799 105.7 29.3 -66.1 -33.7 -7.4 -18.2 53.2 79 99 A M S > S- 0 0 92 1,-0.1 3,-0.9 0, 0.0 4,-0.2 -0.940 76.8-126.4-127.5 151.0 -7.5 -14.6 51.7 80 100 A K G > S+ 0 0 171 -2,-0.3 3,-2.7 1,-0.2 -1,-0.1 0.898 104.2 63.9 -64.1 -42.1 -7.9 -13.5 48.1 81 101 A Q G 3 S+ 0 0 86 1,-0.3 -1,-0.2 13,-0.1 15,-0.1 0.705 99.0 57.8 -58.3 -18.5 -4.8 -11.3 47.9 82 102 A W G < S+ 0 0 27 -3,-0.9 2,-1.7 1,-0.2 -1,-0.3 0.559 80.8 90.9 -85.7 -10.7 -2.7 -14.5 48.4 83 103 A E S < S+ 0 0 56 -3,-2.7 2,-0.3 -4,-0.2 -1,-0.2 -0.392 80.8 61.7 -88.6 61.2 -4.2 -16.1 45.3 84 104 A R S S- 0 0 59 -2,-1.7 2,-0.1 -14,-0.1 -11,-0.1 -0.969 95.1 -73.8-168.2 164.1 -1.5 -14.9 42.9 85 105 A D - 0 0 56 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.464 55.4-162.0 -64.7 141.1 2.2 -15.0 42.0 86 106 A L B -H 70 0C 9 -16,-1.8 -16,-2.9 -2,-0.1 2,-0.1 -0.970 18.8-142.3-136.0 146.8 4.2 -12.8 44.5 87 107 A T > - 0 0 39 -2,-0.3 4,-3.0 -18,-0.2 5,-0.2 -0.386 45.0 -96.0 -86.5 175.4 7.6 -11.1 44.9 88 108 A L H > S+ 0 0 4 -22,-0.5 4,-2.0 -20,-0.4 5,-0.2 0.957 129.1 42.6 -59.8 -49.8 9.4 -11.0 48.2 89 109 A R H > S+ 0 0 28 -23,-0.3 4,-3.1 2,-0.2 5,-0.2 0.922 113.4 53.2 -62.4 -45.5 8.0 -7.5 48.9 90 110 A G H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.940 110.6 46.2 -52.1 -52.8 4.6 -8.6 47.6 91 111 A A H <>S+ 0 0 0 -4,-3.0 5,-1.4 1,-0.2 4,-0.5 0.822 114.9 47.2 -62.4 -35.4 4.5 -11.6 50.0 92 112 A I H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.909 113.6 48.2 -70.8 -41.4 5.7 -9.5 52.9 93 113 A Q H <5S+ 0 0 44 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.880 119.6 34.9 -71.3 -42.6 3.2 -6.6 52.2 94 114 A V T <5S- 0 0 24 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.556 107.2-130.9 -85.3 -9.2 0.0 -8.8 51.8 95 115 A S T 5 - 0 0 17 -4,-0.5 2,-0.9 -5,-0.3 -3,-0.2 0.870 26.7-165.2 66.1 44.1 1.5 -11.1 54.5 96 116 A A >< - 0 0 0 -5,-1.4 4,-1.4 -6,-0.2 3,-0.4 -0.463 4.7-167.4 -69.1 100.5 0.9 -14.3 52.5 97 117 A V H > S+ 0 0 21 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.882 80.6 56.2 -59.1 -47.2 1.4 -17.0 55.2 98 118 A P H > S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.875 103.8 56.1 -58.1 -35.4 1.6 -20.1 52.9 99 119 A V H > S+ 0 0 7 -3,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.953 114.9 37.9 -57.6 -48.6 4.5 -18.5 51.0 100 120 A F H X S+ 0 0 7 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.760 110.9 59.3 -78.4 -24.5 6.5 -18.1 54.3 101 121 A Q H X S+ 0 0 109 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.932 108.1 47.5 -61.3 -44.7 5.3 -21.5 55.7 102 122 A Q H X S+ 0 0 95 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.837 109.4 52.4 -65.6 -38.1 6.9 -23.1 52.6 103 123 A I H X S+ 0 0 6 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.933 112.0 45.9 -62.3 -47.1 10.1 -21.1 53.1 104 124 A A H X S+ 0 0 27 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.788 105.8 60.2 -68.5 -31.1 10.4 -22.3 56.7 105 125 A R H < S+ 0 0 162 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.935 110.3 41.8 -60.4 -46.8 9.6 -25.9 55.8 106 126 A E H < S+ 0 0 108 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.857 109.4 57.9 -67.6 -39.9 12.7 -25.9 53.6 107 127 A V H < S- 0 0 3 -4,-2.0 4,-0.4 -5,-0.1 -1,-0.2 0.901 106.0-139.0 -57.3 -41.3 14.8 -24.1 56.1 108 128 A G X - 0 0 26 -4,-1.9 4,-2.0 3,-0.1 5,-0.2 0.172 17.3 -93.7 90.2 148.4 14.1 -26.9 58.6 109 129 A E H > S+ 0 0 174 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.895 122.1 50.7 -64.5 -40.1 13.3 -26.5 62.3 110 130 A V H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 111.6 46.5 -65.6 -44.7 16.9 -27.0 63.5 111 131 A R H > S+ 0 0 109 -4,-0.4 4,-2.0 2,-0.2 5,-0.2 0.906 113.9 48.1 -63.5 -43.6 18.4 -24.4 61.1 112 132 A M H X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.926 108.5 55.8 -60.9 -47.0 15.7 -21.8 62.0 113 133 A Q H X S+ 0 0 139 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.898 108.6 48.2 -47.4 -50.6 16.3 -22.6 65.7 114 134 A K H X S+ 0 0 121 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.925 110.3 47.3 -62.5 -54.2 20.0 -21.7 65.3 115 135 A Y H X S+ 0 0 43 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.869 109.9 55.1 -59.2 -39.7 19.7 -18.4 63.4 116 136 A L H X>S+ 0 0 16 -4,-2.2 5,-2.4 2,-0.2 4,-0.9 0.939 108.5 47.2 -58.7 -48.8 17.1 -17.2 65.9 117 137 A K H ><5S+ 0 0 184 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.942 112.4 52.3 -52.9 -47.0 19.5 -17.9 68.8 118 138 A K H 3<5S+ 0 0 108 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.819 112.1 43.9 -59.8 -35.8 22.1 -16.0 66.7 119 139 A F H 3<5S- 0 0 13 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.548 106.9-125.6 -85.7 -7.6 19.8 -13.0 66.2 120 140 A S T <<5 + 0 0 92 -3,-1.1 2,-0.9 -4,-0.9 -3,-0.2 0.880 51.0 168.5 56.3 40.6 18.7 -13.0 69.9 121 141 A Y < - 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0 0 118 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.147 42.6-161.0 -51.9 139.9 24.4 30.1 52.5 315 97 B R - 0 0 52 2,-0.1 6,-0.1 -3,-0.1 5,-0.0 -0.754 35.1 -96.9-119.8 168.4 23.7 27.8 49.6 316 98 B A S S+ 0 0 91 -2,-0.2 2,-0.4 1,-0.1 3,-0.1 0.751 110.0 36.3 -60.1 -28.9 21.9 28.3 46.2 317 99 B M S > S- 0 0 85 1,-0.1 3,-1.5 0, 0.0 4,-0.2 -0.991 72.9-137.6-127.9 138.0 18.7 26.7 47.6 318 100 B K G > S+ 0 0 174 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.889 104.0 65.8 -54.2 -42.4 17.2 27.0 51.1 319 101 B Q G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 15,-0.1 0.751 97.2 56.5 -49.3 -31.0 16.4 23.3 50.9 320 102 B W G < S+ 0 0 26 -3,-1.5 2,-1.8 1,-0.2 -1,-0.3 0.469 74.5 101.9 -85.9 -4.7 20.1 22.5 50.9 321 103 B E S < S+ 0 0 59 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 -0.330 72.2 63.5 -86.4 59.8 21.1 24.3 54.1 322 104 B R S S- 0 0 94 -2,-1.8 2,-0.3 -14,-0.1 -11,-0.1 -0.970 92.2 -75.5-162.3 168.7 21.4 21.2 56.4 323 105 B D - 0 0 58 -2,-0.3 2,-0.3 -14,-0.1 -14,-0.2 -0.631 54.3-162.8 -73.1 133.0 23.2 17.9 57.1 324 106 B L B -P 308 0F 8 -16,-1.7 -16,-3.4 -2,-0.3 2,-0.1 -0.903 17.5-142.0-123.9 147.3 22.1 15.3 54.6 325 107 B T > - 0 0 42 -2,-0.3 4,-3.0 -18,-0.2 5,-0.2 -0.315 46.3 -92.6 -83.9-178.1 22.2 11.5 54.3 326 108 B L H > S+ 0 0 5 -22,-0.5 4,-1.8 -20,-0.3 5,-0.2 0.971 132.3 41.7 -61.8 -52.5 22.7 9.9 50.9 327 109 B R H > S+ 0 0 25 -23,-0.3 4,-3.0 2,-0.2 5,-0.2 0.887 114.4 54.6 -58.1 -42.6 19.0 9.6 50.3 328 110 B G H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.962 108.5 46.5 -53.7 -57.1 18.6 13.2 51.7 329 111 B A H <>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 4,-0.2 0.815 116.4 46.0 -57.0 -36.4 21.2 14.7 49.3 330 112 B I H <5S+ 0 0 3 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.896 110.7 51.8 -73.4 -42.4 19.5 12.8 46.4 331 113 B Q H <5S+ 0 0 41 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.900 118.9 34.1 -67.2 -43.3 15.9 13.8 47.3 332 114 B V T <5S- 0 0 33 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.484 109.5-127.9 -87.6 -2.5 16.5 17.5 47.7 333 115 B S T 5 - 0 0 18 -5,-0.3 2,-1.3 -4,-0.2 -3,-0.2 0.968 26.3-160.5 58.0 62.1 19.0 17.2 44.8 334 116 B A >>< - 0 0 0 -5,-2.7 4,-1.4 1,-0.2 3,-0.7 -0.597 7.9-170.9 -83.6 93.0 21.9 19.0 46.6 335 117 B V H 3> S+ 0 0 28 -2,-1.3 4,-2.1 1,-0.2 3,-0.4 0.892 78.8 53.0 -52.0 -56.2 24.2 20.0 43.8 336 118 B P H 3> S+ 0 0 44 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.830 106.8 55.7 -55.0 -32.1 27.3 21.2 45.8 337 119 B V H <> S+ 0 0 12 -3,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.926 111.5 41.1 -64.4 -46.3 27.4 17.9 47.7 338 120 B F H X S+ 0 0 8 -4,-1.4 4,-2.7 -3,-0.4 -1,-0.2 0.738 110.6 58.6 -75.4 -23.8 27.6 15.8 44.5 339 121 B Q H X S+ 0 0 52 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.862 107.3 46.6 -69.1 -39.0 30.1 18.2 42.9 340 122 B Q H X S+ 0 0 92 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.916 112.2 51.1 -66.5 -44.0 32.4 17.6 45.9 341 123 B I H X S+ 0 0 6 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.932 111.1 48.2 -54.5 -49.4 31.8 13.9 45.4 342 124 B A H X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.897 108.7 54.4 -59.2 -43.6 32.6 14.3 41.7 343 125 B R H < S+ 0 0 114 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 108.8 47.6 -56.4 -45.9 35.8 16.3 42.6 344 126 B E H < S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 107.0 56.9 -70.2 -31.1 37.1 13.5 44.8 345 127 B V H < S- 0 0 3 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.938 103.3-146.2 -63.3 -48.7 36.4 10.7 42.2 346 128 B G X - 0 0 22 -4,-1.9 4,-2.0 3,-0.1 5,-0.2 0.002 20.6 -78.3 97.2 158.5 38.6 12.5 39.7 347 129 B E H > S+ 0 0 125 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.879 124.2 43.1 -57.5 -46.9 38.6 13.0 35.9 348 130 B V H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 114.9 46.9 -76.3 -40.0 40.1 9.6 34.9 349 131 B R H > S+ 0 0 100 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.874 110.5 53.3 -68.6 -39.7 38.0 7.4 37.3 350 132 B M H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.844 111.5 47.3 -62.6 -35.8 34.7 9.2 36.4 351 133 B Q H X S+ 0 0 72 -4,-1.2 4,-1.7 -5,-0.2 -2,-0.2 0.941 107.7 54.0 -69.2 -51.1 35.5 8.5 32.7 352 134 B K H X S+ 0 0 104 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.844 111.3 46.5 -54.5 -40.0 36.4 4.8 33.2 353 135 B Y H X S+ 0 0 23 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.887 107.2 53.2 -75.4 -41.4 33.0 4.1 34.9 354 136 B L H X>S+ 0 0 0 -4,-1.5 5,-2.3 2,-0.2 4,-0.6 0.808 108.2 55.5 -63.1 -28.8 30.7 5.9 32.4 355 137 B K H ><5S+ 0 0 149 -4,-1.7 3,-0.9 2,-0.2 -2,-0.2 0.957 110.8 42.2 -62.4 -53.5 32.4 3.8 29.8 356 138 B K H 3<5S+ 0 0 102 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.767 115.5 50.4 -66.8 -29.0 31.5 0.5 31.6 357 139 B F H 3<5S- 0 0 9 -4,-2.2 -1,-0.2 39,-0.1 -2,-0.2 0.595 103.6-132.0 -81.4 -12.5 28.0 1.9 32.4 358 140 B S T <<5 + 0 0 77 -3,-0.9 2,-1.0 -4,-0.6 -3,-0.2 0.885 40.8 177.5 56.6 43.6 27.4 2.8 28.7 359 141 B Y > < - 0 0 0 -5,-2.3 3,-1.0 -6,-0.1 -1,-0.2 -0.680 42.1 -66.4 -88.6 99.2 26.2 6.2 30.0 360 142 B G T 3 S- 0 0 12 -2,-1.0 19,-0.2 1,-0.2 17,-0.0 -0.205 97.2 -29.7 67.8-149.0 25.3 8.5 27.1 361 143 B N T 3 S- 0 0 66 17,-2.2 -1,-0.2 2,-0.1 18,-0.1 0.426 86.0-126.4 -85.1 -2.3 27.9 9.9 24.6 362 144 B Q < + 0 0 58 -3,-1.0 2,-0.3 16,-0.3 -2,-0.1 0.974 55.4 135.1 54.9 82.9 30.6 9.8 27.3 363 145 B N - 0 0 60 2,-0.1 13,-0.3 15,-0.0 -1,-0.2 -0.967 34.1-171.0-157.0 140.3 32.2 13.2 27.7 364 146 B I > + 0 0 15 -2,-0.3 3,-0.6 12,-0.1 7,-0.2 -0.215 31.0 156.8-129.7 44.4 33.2 15.4 30.7 365 147 B S T 3 + 0 0 49 1,-0.2 11,-0.3 6,-0.1 12,-0.2 -0.263 49.8 36.9 -78.5 156.7 34.2 18.8 29.2 366 148 B G T 3 S- 0 0 74 9,-0.1 2,-0.2 4,-0.1 -1,-0.2 -0.085 123.0 -38.0 99.2 -31.8 34.3 22.2 30.9 367 149 B G X> - 0 0 26 -3,-0.6 3,-1.0 -20,-0.0 4,-0.9 -0.803 65.7 -85.7 152.9 165.3 35.4 21.0 34.3 368 150 B I T 34 S+ 0 0 27 1,-0.2 -22,-0.1 -2,-0.2 -3,-0.1 0.274 127.0 39.8 -84.7 12.9 34.9 18.0 36.7 369 151 B D T 34 S+ 0 0 50 -27,-0.1 -1,-0.2 -5,-0.1 -30,-0.1 0.032 111.2 55.8-144.7 27.7 31.8 19.7 38.2 370 152 B K T <> S+ 0 0 101 -3,-1.0 4,-2.3 -6,-0.1 3,-0.2 0.623 77.1 83.9-129.7 -31.9 30.2 21.2 35.1 371 153 B F H X S+ 0 0 5 -4,-0.9 4,-1.4 1,-0.2 6,-1.0 0.796 92.5 45.1 -56.6 -43.1 29.5 18.5 32.4 372 154 B A H 4 S+ 0 0 15 2,-0.2 -88,-2.0 1,-0.1 -1,-0.2 0.911 120.7 37.0 -67.6 -44.7 26.1 17.0 33.7 373 155 B L H 4 S- 0 0 61 -3,-0.2 -2,-0.2 -90,-0.1 -1,-0.1 0.832 145.2 -13.3 -81.2 -37.0 24.4 20.4 34.4 374 156 B E H < S+ 0 0 130 -4,-2.3 -3,-0.2 -90,-0.1 -2,-0.2 -0.074 111.2 87.8-163.5 42.3 25.7 22.6 31.5 375 157 B G S < S- 0 0 11 -4,-1.4 -4,-0.2 2,-0.2 -9,-0.1 0.466 89.9 -66.2-116.6-114.9 28.7 20.8 29.8 376 158 B Q S S+ 0 0 100 -11,-0.3 2,-0.4 -13,-0.3 -12,-0.1 0.229 86.0 107.5-141.1 10.4 29.2 18.2 27.0 377 159 B L + 0 0 0 -6,-1.0 2,-0.3 -12,-0.2 -2,-0.2 -0.802 44.0 178.7 -91.7 135.5 27.6 15.0 28.2 378 160 B R - 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