==== 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 27-APR-09 2WGW . COMPND 2 MOLECULE: BETA-LACTAMASE OXA-10; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.VERCHEVAL,F.KERFF,C.BAUVOIS,E.SAUVAGE,R.GUIET,P.CHARLIER, . 493 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 18.9 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 . 22 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 1 3 1 1 0 0 4 0 4 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 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 . 2 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 19 A M 0 0 70 0, 0.0 30,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 142.9 20.6 0.4 76.7 2 20 A G - 0 0 58 28,-2.1 2,-0.3 1,-0.3 30,-0.2 0.953 360.0 -22.5 -71.7 -88.7 21.5 3.3 79.1 3 21 A S E -a 32 0A 62 28,-2.1 30,-2.3 27,-0.1 2,-0.4 -0.891 54.2-145.2-123.0 154.4 18.5 3.8 81.4 4 22 A I E -a 33 0A 38 -2,-0.3 2,-0.3 28,-0.2 30,-0.2 -0.996 18.8-163.4-121.2 130.4 14.8 3.0 81.0 5 23 A T E -a 34 0A 65 28,-2.6 30,-2.3 -2,-0.4 2,-0.3 -0.850 19.3-116.3-115.4 146.9 12.3 5.3 82.5 6 24 A E E -a 35 0A 120 -2,-0.3 2,-0.5 28,-0.2 30,-0.2 -0.609 22.3-170.6 -84.2 135.3 8.6 4.9 83.3 7 25 A N > - 0 0 43 28,-2.8 3,-0.6 -2,-0.3 4,-0.1 -0.981 4.3-174.6-124.9 110.9 6.1 7.1 81.5 8 26 A T G > + 0 0 87 -2,-0.5 3,-1.0 1,-0.2 4,-0.3 0.533 67.9 85.9 -83.0 -6.9 2.6 6.7 83.0 9 27 A S G 3 S+ 0 0 81 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.509 85.3 53.8 -76.8 -6.1 0.9 8.8 80.3 10 28 A W G X> S+ 0 0 4 -3,-0.6 3,-1.8 1,-0.1 4,-0.7 0.532 80.0 96.1-101.0 -11.0 0.4 5.9 77.9 11 29 A N H X> S+ 0 0 68 -3,-1.0 4,-2.6 1,-0.3 3,-1.0 0.806 75.6 61.2 -45.8 -41.8 -1.4 3.7 80.5 12 30 A K H 3> S+ 0 0 160 -4,-0.3 4,-2.1 1,-0.3 -1,-0.3 0.769 95.1 60.9 -61.6 -29.2 -4.8 4.8 79.2 13 31 A E H <4 S+ 0 0 57 -3,-1.8 -1,-0.3 2,-0.2 4,-0.2 0.806 113.2 38.4 -67.9 -27.9 -4.1 3.3 75.8 14 32 A F H X<>S+ 0 0 10 -3,-1.0 5,-2.3 -4,-0.7 3,-1.2 0.905 116.6 47.6 -83.7 -51.4 -3.7 -0.1 77.5 15 33 A S H ><5S+ 0 0 77 -4,-2.6 3,-1.6 1,-0.3 -3,-0.2 0.873 103.3 63.2 -63.8 -37.3 -6.5 0.1 80.1 16 34 A A T 3<5S+ 0 0 73 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.777 114.4 34.0 -54.8 -28.5 -9.0 1.3 77.5 17 35 A E T < 5S- 0 0 82 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.305 109.9-119.6-109.2 7.3 -8.6 -2.0 75.7 18 36 A A T < 5 + 0 0 92 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.2 0.866 60.3 158.0 50.0 45.2 -8.1 -4.1 78.9 19 37 A V < - 0 0 16 -5,-2.3 2,-0.7 -6,-0.1 -1,-0.2 -0.821 40.3-151.7-103.5 132.8 -4.6 -5.1 77.5 20 38 A N + 0 0 114 -2,-0.4 202,-3.0 202,-0.3 2,-0.3 -0.928 53.2 108.4 -94.5 113.0 -1.6 -6.4 79.6 21 39 A G E -B 221 0A 7 -2,-0.7 2,-0.3 200,-0.3 200,-0.3 -0.938 55.0-114.4-166.4-175.2 1.4 -5.3 77.6 22 40 A V E -B 220 0A 0 198,-2.6 198,-2.3 -2,-0.3 2,-0.4 -0.999 9.3-163.0-142.4 142.9 4.4 -3.1 77.2 23 41 A F E -B 219 0A 0 -2,-0.3 13,-1.0 196,-0.2 2,-0.4 -0.994 7.5-168.7-122.1 133.6 5.6 -0.4 74.9 24 42 A V E -BC 218 35A 0 194,-2.4 194,-2.0 -2,-0.4 2,-0.4 -0.994 8.2-179.1-121.9 126.6 9.3 0.7 74.8 25 43 A L E -BC 217 34A 13 9,-2.7 9,-2.9 -2,-0.4 2,-0.5 -0.994 5.7-172.7-132.4 128.9 10.2 3.8 72.9 26 44 A a E -BC 216 33A 0 190,-2.6 190,-2.4 -2,-0.4 2,-0.4 -0.966 12.8-149.3-128.2 114.8 13.7 5.3 72.4 27 45 A K E S-B 215 0A 116 5,-0.5 2,-1.8 -2,-0.5 5,-0.3 -0.727 78.0 -19.2 -80.8 128.8 14.4 8.7 70.8 28 46 A S S S- 0 0 57 186,-3.4 2,-0.3 -2,-0.4 -1,-0.1 -0.224 131.1 -5.9 78.0 -47.6 17.7 8.9 68.9 29 47 A S S > S- 0 0 33 -2,-1.8 3,-0.8 3,-0.3 187,-0.1 -0.965 76.1 -93.7-164.3 168.4 19.4 5.9 70.6 30 48 A S T 3 S+ 0 0 15 -2,-0.3 -28,-2.1 1,-0.2 3,-0.3 0.378 94.9 101.7 -76.5 4.7 18.9 3.3 73.3 31 49 A K T 3 S+ 0 0 161 -30,-0.3 -28,-2.1 1,-0.3 2,-0.4 0.913 98.2 14.8 -48.5 -46.3 20.9 5.6 75.7 32 50 A S E < S+a 3 0A 60 -3,-0.8 -5,-0.5 -5,-0.3 2,-0.3 -0.953 76.9 178.1-138.3 118.6 17.5 6.6 77.2 33 51 A a E -aC 4 26A 2 -30,-2.3 -28,-2.6 -2,-0.4 2,-0.3 -0.842 15.4-145.3-116.6 155.7 14.3 4.7 76.6 34 52 A A E +aC 5 25A 20 -9,-2.9 -9,-2.7 -2,-0.3 2,-0.3 -0.901 21.8 168.7-116.4 150.8 10.7 5.2 77.9 35 53 A T E -aC 6 24A 0 -30,-2.3 -28,-2.8 -2,-0.3 3,-0.2 -0.990 42.0-131.2-153.5 156.6 8.1 2.6 78.8 36 54 A N S S+ 0 0 17 -13,-1.0 2,-0.3 -2,-0.3 -30,-0.1 0.634 103.1 34.0 -76.3 -17.7 4.8 2.1 80.6 37 55 A D > - 0 0 61 -14,-0.4 4,-2.4 1,-0.1 -1,-0.2 -0.852 61.1-166.5-148.8 102.3 6.1 -0.9 82.6 38 56 A L H > S+ 0 0 81 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.914 92.8 45.0 -56.6 -47.5 9.8 -1.1 83.8 39 57 A A H >4 S+ 0 0 81 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.953 114.9 45.1 -66.1 -49.0 9.5 -4.8 84.7 40 58 A R H >4 S+ 0 0 22 1,-0.2 3,-1.1 2,-0.2 105,-0.5 0.839 99.3 71.6 -67.8 -27.8 7.7 -6.0 81.5 41 59 A A H 3< S+ 0 0 0 -4,-2.4 105,-2.2 1,-0.3 104,-0.4 0.846 109.3 34.1 -51.8 -37.1 10.1 -3.9 79.3 42 60 A S T << S+ 0 0 68 -3,-1.1 -1,-0.3 -4,-0.8 2,-0.2 0.381 90.8 114.5-103.1 2.1 12.8 -6.5 80.2 43 61 A K < - 0 0 127 -3,-1.1 102,-0.5 -4,-0.5 2,-0.4 -0.547 64.9-130.0 -72.1 139.2 10.6 -9.6 80.4 44 62 A E E +G 144 0B 89 -2,-0.2 2,-0.3 100,-0.2 100,-0.3 -0.789 30.1 174.9-102.1 134.1 11.5 -12.1 77.6 45 63 A Y E -G 143 0B 26 98,-2.5 98,-2.5 -2,-0.4 156,-0.0 -0.881 44.5 -77.7-129.5 161.2 8.9 -13.7 75.3 46 64 A L - 0 0 18 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.376 38.3-143.1 -54.9 132.1 8.9 -15.9 72.2 47 65 A P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.770 29.5 178.7 -70.5 -25.6 9.8 -13.7 69.3 48 66 A A G > S- 0 0 2 88,-1.6 3,-2.4 1,-0.3 4,-0.1 -0.248 70.9 -8.7 50.4-140.1 7.4 -15.5 66.8 49 67 A S G > S+ 0 0 13 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.608 121.2 80.4 -66.7 -7.8 7.6 -13.9 63.4 50 68 A T G X S+ 0 0 0 -3,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.783 79.8 73.9 -64.4 -18.2 9.7 -11.0 64.7 51 69 A F G <> S+ 0 0 0 -3,-2.4 4,-2.6 1,-0.3 -1,-0.3 0.678 72.2 83.1 -64.0 -16.8 12.5 -13.6 64.3 52 70 A X H <> S+ 0 0 0 -3,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.709 83.8 62.0 -59.3 -21.3 12.2 -13.0 60.5 53 71 A I H <> S+ 0 0 1 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.989 111.5 31.3 -71.0 -63.2 14.5 -10.0 61.0 54 72 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.907 118.5 57.2 -62.0 -35.6 17.6 -11.9 62.3 55 73 A N H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.914 107.0 48.2 -60.9 -42.3 16.7 -15.0 60.2 56 74 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.926 112.6 48.3 -64.0 -44.0 16.8 -12.9 57.0 57 75 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.947 114.6 45.4 -60.2 -47.8 20.1 -11.3 57.9 58 76 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 6,-0.3 0.886 109.6 55.7 -64.1 -41.2 21.6 -14.7 58.8 59 77 A G H <>S+ 0 0 0 -4,-2.8 6,-2.3 -5,-0.2 5,-1.0 0.920 113.6 41.4 -55.9 -45.5 20.2 -16.2 55.5 60 78 A L H ><5S+ 0 0 10 -4,-2.3 3,-1.0 4,-0.2 -2,-0.2 0.921 113.4 52.0 -68.0 -44.3 22.0 -13.5 53.5 61 79 A E H 3<5S+ 0 0 53 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.875 112.6 44.7 -62.9 -37.7 25.2 -13.7 55.5 62 80 A T T 3<5S- 0 0 26 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.529 112.5-117.8 -83.7 -7.5 25.5 -17.4 55.1 63 81 A G T < 5S+ 0 0 44 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.477 83.4 120.6 77.9 2.9 24.6 -17.3 51.4 64 82 A V S S- 0 0 69 -3,-0.1 3,-1.8 99,-0.0 -1,-0.2 -0.964 70.6 -60.4-169.8-172.8 21.0 -12.0 47.2 68 86 A E T 3 S+ 0 0 22 -2,-0.3 22,-0.4 1,-0.3 -2,-0.0 0.718 126.1 48.5 -53.2 -32.9 18.5 -9.2 47.3 69 87 A H T 3 S+ 0 0 60 20,-0.1 -1,-0.3 21,-0.1 335,-0.0 0.263 76.2 141.0-103.9 12.0 16.5 -10.4 44.3 70 88 A Q < - 0 0 32 -3,-1.8 2,-0.5 1,-0.1 20,-0.5 -0.246 40.7-148.8 -49.6 128.7 16.1 -14.1 45.4 71 89 A V - 0 0 45 18,-0.1 2,-0.9 19,-0.1 18,-0.2 -0.951 4.6-145.1-105.4 127.6 12.7 -15.5 44.6 72 90 A F B -H 88 0C 27 16,-3.2 16,-1.9 -2,-0.5 2,-0.2 -0.795 23.8-145.0 -90.5 103.9 11.4 -18.2 47.0 73 91 A K - 0 0 167 -2,-0.9 2,-0.4 14,-0.2 14,-0.1 -0.510 6.0-128.3 -79.8 133.2 9.5 -20.5 44.7 74 92 A W - 0 0 78 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.708 8.4-151.4 -77.7 127.2 6.3 -22.2 46.0 75 93 A D - 0 0 108 -2,-0.4 -1,-0.1 2,-0.1 10,-0.1 0.425 41.8-111.9 -76.5 -1.8 6.5 -26.0 45.4 76 94 A G S S+ 0 0 46 1,-0.3 3,-0.1 10,-0.0 -1,-0.1 0.417 76.9 129.5 83.8 1.1 2.7 -26.1 45.1 77 95 A K S S- 0 0 134 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.556 70.8 -80.3 -86.9 148.8 2.3 -28.1 48.3 78 96 A P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.194 46.0-166.2 -52.1 135.9 -0.2 -26.9 51.0 79 97 A R - 0 0 48 2,-0.1 6,-0.1 -3,-0.1 5,-0.1 -0.889 33.7-109.3-121.7 158.3 0.9 -24.1 53.3 80 98 A A S S+ 0 0 96 -2,-0.3 2,-0.4 4,-0.1 3,-0.1 0.688 104.3 36.6 -65.8 -21.8 -0.7 -23.0 56.5 81 99 A M S > S- 0 0 81 1,-0.1 3,-1.8 0, 0.0 4,-0.3 -0.992 75.1-135.6-129.0 139.7 -2.0 -19.7 55.0 82 100 A K G > S+ 0 0 180 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.863 104.9 65.2 -60.7 -33.2 -3.3 -19.2 51.5 83 101 A Q G 3 S+ 0 0 85 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.654 97.9 55.8 -66.0 -14.6 -1.3 -16.0 51.3 84 102 A W G < S+ 0 0 24 -3,-1.8 2,-1.7 1,-0.1 -1,-0.3 0.501 81.4 94.3 -89.0 -8.7 1.9 -18.1 51.5 85 103 A E S < S+ 0 0 57 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.1 -0.462 75.4 67.0 -89.2 67.2 0.9 -20.3 48.5 86 104 A R S S- 0 0 65 -2,-1.7 2,-0.1 -14,-0.1 -11,-0.1 -0.965 94.4 -77.6-168.8 160.8 2.8 -18.3 45.9 87 105 A D - 0 0 67 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.471 55.5-165.0 -64.7 144.1 6.3 -17.3 44.8 88 106 A L B -H 72 0C 4 -16,-1.9 -16,-3.2 -2,-0.1 2,-0.1 -0.990 19.8-137.7-138.1 143.9 7.7 -14.6 47.1 89 107 A T > - 0 0 41 -2,-0.3 4,-3.0 -18,-0.2 5,-0.2 -0.312 44.4 -97.6 -78.3 175.3 10.5 -12.0 47.1 90 108 A L H > S+ 0 0 4 -20,-0.5 4,-2.3 -22,-0.4 5,-0.2 0.956 128.9 44.8 -62.2 -49.1 12.4 -11.4 50.4 91 109 A R H > S+ 0 0 29 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.923 113.7 51.6 -61.0 -40.4 10.2 -8.4 51.2 92 110 A G H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.931 109.3 48.6 -61.1 -47.6 7.1 -10.4 50.2 93 111 A A H X>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 4,-0.5 0.880 116.0 44.6 -62.1 -37.1 8.0 -13.3 52.4 94 112 A I H <5S+ 0 0 0 -4,-2.3 3,-0.4 3,-0.2 -2,-0.2 0.960 113.2 49.3 -69.1 -50.9 8.6 -10.9 55.4 95 113 A Q H <5S+ 0 0 40 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.846 119.1 36.6 -63.2 -39.8 5.5 -8.8 54.8 96 114 A V H <5S- 0 0 13 -4,-2.5 -1,-0.3 -5,-0.2 3,-0.2 0.545 109.6-126.3 -87.5 -6.4 3.1 -11.7 54.5 97 115 A S T <5 - 0 0 20 -4,-0.5 2,-2.0 -3,-0.4 -3,-0.2 0.924 29.5-166.3 65.2 49.5 5.1 -13.5 57.2 98 116 A A >>< - 0 0 0 -5,-2.4 4,-1.3 1,-0.2 3,-1.1 -0.453 6.7-175.8 -74.4 79.2 5.6 -16.7 55.2 99 117 A T H 3> S+ 0 0 16 -2,-2.0 4,-2.5 1,-0.2 5,-0.2 0.836 75.3 58.0 -43.8 -48.7 6.8 -19.0 57.9 100 118 A P H 3> S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.841 103.2 55.2 -61.3 -30.0 7.6 -22.0 55.7 101 119 A V H <> S+ 0 0 6 -3,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.952 113.1 41.5 -62.0 -48.9 10.0 -20.0 53.6 102 120 A F H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.786 108.6 59.7 -71.2 -27.4 11.9 -19.0 56.8 103 121 A Q H X S+ 0 0 42 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.935 108.1 45.9 -63.6 -44.1 11.7 -22.5 58.2 104 122 A Q H X S+ 0 0 86 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.899 110.6 52.9 -65.3 -42.3 13.6 -23.8 55.1 105 123 A I H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.949 109.8 49.3 -53.9 -49.2 16.1 -20.9 55.5 106 124 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.895 108.7 52.1 -58.6 -43.7 16.7 -22.0 59.1 107 125 A R H < S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.911 112.8 45.2 -58.9 -43.8 17.2 -25.7 58.1 108 126 A E H < S+ 0 0 96 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.872 110.7 52.4 -70.7 -38.0 19.8 -24.7 55.6 109 127 A V H X S- 0 0 4 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.943 103.1-158.4 -58.6 -47.9 21.6 -22.3 57.9 110 128 A G H X - 0 0 21 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.161 27.1 -74.6 82.6 161.1 21.7 -25.1 60.4 111 129 A E H > S+ 0 0 138 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.867 124.3 51.1 -59.7 -46.6 22.2 -25.2 64.2 112 130 A V H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 116.2 40.2 -59.8 -50.7 25.9 -24.4 64.5 113 131 A R H X S+ 0 0 90 -4,-0.5 4,-2.3 2,-0.2 5,-0.2 0.916 114.9 52.8 -65.8 -41.3 25.6 -21.3 62.2 114 132 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.933 110.3 47.8 -58.0 -49.5 22.3 -20.2 63.8 115 133 A Q H X S+ 0 0 65 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.916 110.6 52.4 -57.1 -45.7 23.7 -20.4 67.3 116 134 A K H X S+ 0 0 98 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.914 111.4 45.4 -58.7 -47.8 26.9 -18.4 66.3 117 135 A Y H X S+ 0 0 23 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.885 109.5 53.2 -68.6 -38.1 24.9 -15.6 64.7 118 136 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.3 0.882 111.0 49.0 -65.9 -31.6 22.4 -15.2 67.6 119 137 A K H ><5S+ 0 0 129 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.945 111.2 49.1 -67.1 -47.1 25.4 -14.9 69.9 120 138 A K H 3<5S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.868 115.4 44.2 -56.6 -40.1 27.0 -12.3 67.6 121 139 A F T 3<5S- 0 0 9 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.424 103.9-130.1 -83.4 -3.6 23.6 -10.3 67.6 122 140 A S T < 5 - 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0 0 54 -14,-0.4 4,-2.5 1,-0.1 -1,-0.3 -0.754 59.1-173.3-152.6 93.5 3.1 7.7 22.3 285 56 B L H > S+ 0 0 72 -2,-0.3 4,-0.8 -3,-0.2 -1,-0.1 0.874 90.3 51.2 -57.0 -41.6 6.1 6.0 20.8 286 57 B A H >> S+ 0 0 63 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.960 113.3 42.6 -62.8 -51.8 7.4 9.3 19.3 287 58 B R H >4 S+ 0 0 19 1,-0.3 3,-1.2 2,-0.2 105,-0.4 0.851 103.1 67.2 -67.5 -28.8 7.2 11.3 22.6 288 59 B A H 3< S+ 0 0 0 -4,-2.5 105,-2.0 1,-0.3 104,-0.5 0.801 106.7 42.8 -59.6 -27.2 8.6 8.4 24.6 289 60 B S H << S+ 0 0 77 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.475 89.9 109.1 -95.1 -7.7 11.9 9.0 22.6 290 61 B K << - 0 0 118 -3,-1.2 102,-0.5 -4,-0.5 2,-0.5 -0.461 67.0-131.0 -71.7 145.6 11.8 12.8 22.9 291 62 B E E +P 391 0F 111 100,-0.2 2,-0.3 -2,-0.1 100,-0.3 -0.870 29.4 174.4-110.6 128.3 14.4 14.3 25.3 292 63 B Y E -P 390 0F 40 98,-2.6 98,-2.3 -2,-0.5 0, 0.0 -0.867 43.3 -80.3-127.7 159.8 13.5 16.8 28.0 293 64 B L - 0 0 27 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.373 36.8-143.5 -52.8 130.1 15.2 18.6 30.9 294 65 B P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.796 30.9 176.3 -68.1 -27.7 15.3 16.1 33.8 295 66 B A G > S- 0 0 0 88,-2.0 3,-2.4 1,-0.3 4,-0.1 -0.251 70.9 -7.4 48.1-136.7 14.7 18.8 36.5 296 67 B S G > S+ 0 0 13 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.614 121.5 79.2 -68.9 -8.9 14.4 17.2 39.9 297 68 B T G X S+ 0 0 0 -3,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.774 80.7 73.5 -63.0 -19.5 14.5 13.7 38.5 298 69 B F G <> S+ 0 0 0 -3,-2.4 4,-2.6 1,-0.3 -1,-0.3 0.651 71.9 83.5 -64.9 -16.1 18.2 14.3 38.3 299 70 B K H <> S+ 0 0 1 -3,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.814 83.9 62.6 -58.7 -26.3 18.3 13.9 42.1 300 71 B I H <> S+ 0 0 1 -3,-1.6 4,-1.8 -4,-0.2 -1,-0.2 0.994 111.8 30.1 -63.1 -65.7 18.5 10.2 41.4 301 72 B P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.890 119.9 57.1 -61.3 -33.3 21.9 10.1 39.5 302 73 B N H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.919 106.4 48.6 -64.9 -42.9 23.1 13.1 41.6 303 74 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.919 113.1 47.8 -58.9 -44.6 22.5 11.3 44.9 304 75 B I H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.941 114.2 45.7 -63.8 -47.1 24.4 8.2 43.6 305 76 B I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 6,-0.3 0.910 110.1 55.4 -61.8 -43.7 27.3 10.3 42.3 306 77 B G H <>S+ 0 0 0 -4,-2.9 6,-2.2 -5,-0.2 5,-1.1 0.918 113.9 40.5 -52.6 -48.5 27.3 12.3 45.6 307 78 B L H ><5S+ 0 0 11 -4,-2.3 3,-0.9 4,-0.2 -2,-0.2 0.920 113.8 52.5 -65.8 -46.3 27.7 9.0 47.5 308 79 B E H 3<5S+ 0 0 63 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.848 112.9 44.1 -64.7 -36.2 30.2 7.4 45.1 309 80 B T T 3<5S- 0 0 26 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.528 112.9-116.7 -83.5 -10.0 32.5 10.4 45.2 310 81 B G T < 5S+ 0 0 51 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.464 83.9 120.1 85.8 1.4 32.3 10.8 49.0 311 82 B V S S- 0 0 46 102,-0.0 3,-1.7 99,-0.0 -1,-0.2 -0.939 70.2 -73.4-165.3-176.4 26.8 8.0 54.1 315 86 B E T 3 S+ 0 0 26 1,-0.3 22,-0.5 -2,-0.3 23,-0.3 0.662 124.4 56.2 -70.0 -14.0 23.1 7.3 54.2 316 87 B H T 3 S+ 0 0 62 20,-0.1 -1,-0.3 21,-0.1 -159,-0.0 0.382 75.6 133.7 -99.0 6.3 22.7 9.0 57.6 317 88 B Q < - 0 0 54 -3,-1.7 2,-0.5 1,-0.1 20,-0.5 -0.245 45.1-149.8 -53.0 132.9 24.2 12.4 56.5 318 89 B V - 0 0 51 18,-0.2 2,-0.8 19,-0.1 18,-0.2 -0.951 5.2-144.5-107.1 130.1 22.2 15.4 57.6 319 90 B F B -Q 335 0G 26 16,-3.3 16,-1.9 -2,-0.5 2,-0.2 -0.857 24.0-142.9 -93.2 106.9 22.4 18.4 55.3 320 91 B K - 0 0 159 -2,-0.8 2,-0.4 14,-0.2 14,-0.1 -0.524 6.8-127.0 -77.6 138.6 22.3 21.3 57.7 321 92 B W - 0 0 73 -2,-0.2 13,-0.1 1,-0.1 11,-0.1 -0.705 9.1-148.6 -81.7 135.7 20.4 24.5 56.8 322 93 B D - 0 0 103 -2,-0.4 -1,-0.1 2,-0.2 10,-0.1 0.410 38.8-112.6 -86.2 2.2 22.5 27.6 57.2 323 94 B G S S+ 0 0 44 1,-0.3 3,-0.1 10,-0.0 -1,-0.1 0.185 77.5 128.9 87.9 -16.9 19.5 29.9 58.1 324 95 B K S S- 0 0 136 1,-0.1 -1,-0.3 0, 0.0 -2,-0.2 -0.546 71.1 -92.3 -74.7 133.8 19.8 31.8 54.8 325 96 B P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.074 41.3-159.1 -53.8 141.5 16.4 32.0 53.0 326 97 B R - 0 0 49 2,-0.1 6,-0.1 -3,-0.1 5,-0.1 -0.829 32.2-106.1-118.4 160.7 15.5 29.4 50.4 327 98 B A S S+ 0 0 96 -2,-0.3 2,-0.4 1,-0.1 3,-0.1 0.737 107.6 41.2 -58.7 -26.5 13.0 29.4 47.5 328 99 B M S > S- 0 0 80 1,-0.1 3,-1.5 0, 0.0 4,-0.4 -0.989 73.7-139.9-126.7 135.2 10.6 27.1 49.4 329 100 B K G > S+ 0 0 127 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.845 104.3 63.4 -53.4 -38.2 9.8 27.2 53.1 330 101 B Q G 3 S+ 0 0 77 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.699 98.3 55.6 -65.1 -20.5 9.9 23.4 53.1 331 102 B W G < S+ 0 0 29 -3,-1.5 2,-1.8 1,-0.2 -1,-0.3 0.557 82.4 93.0 -84.9 -10.8 13.6 23.6 52.2 332 103 B E S < S+ 0 0 63 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 -0.469 76.4 65.6 -88.0 67.8 14.4 25.8 55.2 333 104 B R S S- 0 0 69 -2,-1.8 2,-0.2 -14,-0.1 -11,-0.1 -0.960 94.4 -75.4-169.5 164.2 15.4 23.0 57.7 334 105 B D - 0 0 59 -2,-0.3 2,-0.4 -14,-0.1 -14,-0.2 -0.523 54.8-163.0 -70.1 145.0 18.0 20.3 58.3 335 106 B L B -Q 319 0G 8 -16,-1.9 -16,-3.3 -2,-0.2 2,-0.1 -0.993 18.6-141.2-138.1 140.2 17.3 17.3 55.9 336 107 B T > - 0 0 37 -2,-0.4 4,-2.8 -18,-0.2 5,-0.2 -0.303 45.7 -95.7 -80.0 177.0 18.3 13.7 55.7 337 108 B L H > S+ 0 0 4 -22,-0.5 4,-2.1 -20,-0.5 5,-0.2 0.955 129.7 43.4 -61.9 -49.2 19.1 12.3 52.2 338 109 B R H > S+ 0 0 25 -23,-0.3 4,-3.8 1,-0.2 5,-0.2 0.922 113.8 53.1 -61.6 -42.5 15.5 10.9 51.8 339 110 B G H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.923 109.4 47.3 -56.6 -47.4 14.2 14.2 53.3 340 111 B A H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.3 0.863 117.0 43.8 -65.9 -36.1 16.2 16.2 50.7 341 112 B I H ><5S+ 0 0 1 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.956 114.1 49.3 -70.2 -49.9 14.9 14.0 47.9 342 113 B Q H 3<5S+ 0 0 46 -4,-3.8 -2,-0.2 1,-0.3 -3,-0.2 0.877 119.0 36.6 -65.1 -40.0 11.3 13.8 49.1 343 114 B V T 3<5S- 0 0 38 -4,-2.7 -1,-0.3 -5,-0.2 3,-0.2 0.496 109.5-127.7 -84.6 -3.4 10.9 17.6 49.6 344 115 B S T < 5 - 0 0 18 -3,-0.7 2,-2.0 -4,-0.3 -3,-0.2 0.919 29.8-168.2 58.4 51.2 13.1 18.1 46.4 345 116 B A >>< - 0 0 0 -5,-2.4 4,-1.2 1,-0.2 3,-1.0 -0.475 6.3-176.8 -74.4 79.2 15.5 20.5 48.1 346 117 B T H 3> S+ 0 0 15 -2,-2.0 4,-2.4 1,-0.2 3,-0.2 0.830 74.7 60.9 -48.2 -42.4 17.4 21.6 45.0 347 118 B P H 3> S+ 0 0 31 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.872 101.8 54.1 -60.5 -36.0 19.9 23.9 46.8 348 119 B V H <> S+ 0 0 8 -3,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.922 113.1 42.9 -55.2 -46.9 21.2 20.8 48.7 349 120 B F H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.771 108.3 58.3 -76.0 -24.7 21.8 19.1 45.4 350 121 B Q H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.929 108.0 47.2 -67.7 -42.9 23.3 22.2 43.8 351 122 B Q H X S+ 0 0 81 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 110.8 52.6 -62.5 -41.3 25.9 22.2 46.5 352 123 B I H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.938 108.4 49.8 -57.6 -48.0 26.5 18.5 45.9 353 124 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.879 108.5 53.2 -60.7 -40.3 27.0 19.1 42.2 354 125 B R H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.910 111.3 45.8 -60.2 -42.6 29.5 21.9 42.9 355 126 B E H < S+ 0 0 97 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.857 110.9 52.4 -71.1 -36.8 31.5 19.6 45.1 356 127 B V H X S- 0 0 4 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.937 101.6-158.6 -60.6 -47.8 31.4 16.7 42.6 357 128 B G H X - 0 0 21 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.152 28.1 -75.6 81.3 159.9 32.7 19.1 39.9 358 129 B E H > S+ 0 0 123 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.876 123.3 52.6 -61.5 -45.8 32.5 19.0 36.1 359 130 B V H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.947 116.3 38.3 -59.9 -49.3 35.1 16.3 35.4 360 131 B R H X S+ 0 0 90 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.895 115.7 53.4 -70.5 -40.1 33.6 13.7 37.8 361 132 B M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.941 110.1 48.0 -57.9 -47.4 30.0 14.7 36.9 362 133 B Q H X S+ 0 0 71 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.906 110.3 52.9 -57.4 -45.5 30.8 14.1 33.2 363 134 B K H X S+ 0 0 95 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.926 110.9 44.7 -58.6 -49.8 32.4 10.8 33.9 364 135 B Y H X S+ 0 0 21 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.875 110.0 53.9 -68.4 -36.4 29.4 9.4 35.8 365 136 B L H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 4,-0.4 0.889 110.5 48.6 -65.7 -34.9 26.8 10.6 33.3 366 137 B K H ><5S+ 0 0 147 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.950 112.3 47.7 -63.2 -49.1 28.8 8.8 30.6 367 138 B K H 3<5S+ 0 0 102 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.876 115.5 45.1 -59.8 -40.0 29.0 5.6 32.7 368 139 B F T 3<5S- 0 0 9 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.477 103.9-131.0 -80.3 -5.3 25.2 5.8 33.5 369 140 B S T < 5 - 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