==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-APR-12 4ARP . COMPND 2 MOLECULE: PESTICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR K.ZETH,S.I.PATZER,R.ALBRECHT,V.BRAUN . 680 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 14.1 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 38 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 4 0 6 1 1 4 2 1 1 0 2 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 4 4 2 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 13 A V 0 0 176 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.8 25.2 -4.4 -15.8 2 14 A P + 0 0 58 0, 0.0 2,-0.3 0, 0.0 82,-0.0 -0.185 360.0 37.5 -82.9 85.6 23.3 -2.9 -14.0 3 15 A A - 0 0 55 117,-0.1 2,-0.3 80,-0.1 80,-0.1 -0.994 55.6-134.7-168.6 178.8 24.5 -5.6 -11.5 4 16 A F - 0 0 99 -2,-0.3 89,-0.0 1,-0.1 0, 0.0 -0.879 22.0-178.9-133.8 165.6 26.9 -8.1 -9.8 5 17 A L S S+ 0 0 85 -2,-0.3 -1,-0.1 88,-0.0 111,-0.0 0.602 73.3 23.0-129.9 -69.3 25.9 -11.7 -9.1 6 18 A F S S+ 0 0 130 37,-0.0 35,-0.0 35,-0.0 36,-0.0 0.369 88.2 133.9 -90.7 3.5 28.2 -14.1 -7.3 7 19 A S S S- 0 0 22 106,-0.0 106,-0.1 2,-0.0 -3,-0.1 -0.246 73.7 -28.5 -51.6 137.5 30.1 -11.1 -5.8 8 20 A G S S- 0 0 20 104,-0.3 2,-0.2 103,-0.1 105,-0.1 -0.091 90.7 -80.3 52.4-142.3 30.7 -11.5 -2.1 9 21 A S - 0 0 40 98,-0.2 2,-0.3 34,-0.0 -2,-0.0 -0.787 28.8-118.9-146.6-171.0 28.3 -13.7 -0.1 10 22 A T - 0 0 18 -2,-0.2 2,-0.6 2,-0.1 86,-0.2 -0.983 14.9-131.4-142.4 145.1 25.0 -13.8 1.7 11 23 A L E +a 96 0A 51 84,-2.3 86,-3.0 -2,-0.3 2,-0.3 -0.889 38.9 150.2-104.2 121.6 23.8 -14.4 5.2 12 24 A S E -a 97 0A 19 -2,-0.6 86,-0.1 84,-0.2 -2,-0.1 -0.991 41.7-160.0-150.5 141.6 20.9 -16.9 5.7 13 25 A S S S+ 0 0 114 84,-0.5 2,-0.6 -2,-0.3 -1,-0.1 0.437 83.7 77.9 -92.3 -3.0 19.8 -19.4 8.4 14 26 A Y + 0 0 63 83,-0.1 -1,-0.1 2,-0.0 83,-0.0 -0.915 49.8 149.6-116.7 109.4 17.9 -21.1 5.7 15 27 A R - 0 0 175 -2,-0.6 2,-0.3 -3,-0.0 -3,-0.0 -0.989 27.7-152.8-132.9 134.1 19.4 -23.5 3.2 16 28 A P 0 0 69 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.676 360.0 360.0 -82.7 152.6 17.7 -26.5 1.5 17 29 A N 0 0 160 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.314 360.0 360.0 -54.8 360.0 20.1 -29.3 0.3 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 35 A I 0 0 218 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 68.2 20.6 -34.6 -9.3 20 36 A T + 0 0 99 1,-0.1 3,-0.3 3,-0.0 0, 0.0 -0.935 360.0 170.6-127.5 109.7 21.3 -31.7 -11.7 21 37 A I + 0 0 125 -2,-0.4 20,-0.2 1,-0.2 -1,-0.1 0.585 59.9 88.5 -95.4 -10.6 22.1 -28.3 -10.1 22 38 A A S S+ 0 0 100 18,-0.1 19,-0.2 2,-0.1 -1,-0.2 0.808 79.5 79.1 -58.0 -27.8 23.3 -26.4 -13.2 23 39 A L S S- 0 0 102 -3,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.559 96.7 -97.2 -84.2 145.8 19.6 -25.4 -13.6 24 40 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 16,-0.2 -0.200 36.3-145.8 -56.4 148.4 17.9 -22.6 -11.6 25 41 A H E -B 39 0A 79 14,-2.3 14,-3.1 16,-0.2 2,-0.5 -0.974 4.2-145.4-123.2 136.5 15.9 -23.8 -8.5 26 42 A Y E -B 38 0A 104 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.874 19.8-179.2-110.4 129.2 12.7 -22.1 -7.3 27 43 A V E -B 37 0A 26 10,-2.6 10,-2.6 -2,-0.5 2,-0.5 -0.899 22.9-141.3-127.9 149.7 11.9 -21.9 -3.6 28 44 A D E -B 36 0A 73 -2,-0.3 8,-0.2 8,-0.2 5,-0.1 -0.942 36.1-111.7-107.9 126.4 9.1 -20.5 -1.4 29 45 A L - 0 0 6 6,-1.7 3,-0.5 -2,-0.5 6,-0.2 -0.411 30.1-139.6 -61.3 115.5 10.1 -18.9 1.9 30 46 A P S S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.742 93.2 44.0 -54.4 -34.5 8.7 -21.5 4.3 31 47 A G S S+ 0 0 78 1,-0.0 2,-0.2 4,-0.0 -2,-0.1 0.893 117.8 9.9 -76.7 -41.3 7.4 -18.9 6.8 32 48 A R - 0 0 49 -3,-0.5 3,-0.5 3,-0.1 2,-0.2 -0.652 65.3 -92.8-138.1 178.4 5.8 -16.3 4.7 33 49 A S S S+ 0 0 77 1,-0.3 24,-0.0 -2,-0.2 -5,-0.0 -0.902 82.1 24.4-178.8 158.7 4.4 -15.0 1.3 34 50 A N S S+ 0 0 59 -2,-0.2 2,-0.4 22,-0.1 -1,-0.3 -0.088 92.1 118.5 -84.7 108.0 4.2 -13.7 -1.1 35 51 A F + 0 0 0 -3,-0.5 -6,-1.7 -6,-0.2 2,-0.4 -0.947 31.5 163.0-135.5 111.8 7.9 -14.3 -0.8 36 52 A K E -B 28 0A 37 -2,-0.4 11,-0.4 -8,-0.2 2,-0.3 -0.998 14.8-165.6-135.2 133.3 9.3 -16.5 -3.5 37 53 A L E -B 27 0A 3 -10,-2.6 -10,-2.6 -2,-0.4 2,-0.5 -0.862 11.8-146.7-120.6 152.6 13.0 -16.7 -4.4 38 54 A M E -BC 26 45A 37 7,-2.5 7,-1.6 -2,-0.3 2,-0.8 -0.982 11.3-147.9-117.7 131.1 15.0 -18.1 -7.2 39 55 A Y E -BC 25 44A 32 -14,-3.1 -14,-2.3 -2,-0.5 2,-0.5 -0.870 11.4-173.0-100.2 107.0 18.4 -19.6 -6.7 40 56 A I E > S- C 0 43A 58 3,-1.7 3,-2.4 -2,-0.8 2,-0.3 -0.883 80.8 -26.0 -89.1 127.3 20.7 -19.1 -9.6 41 57 A M T 3 S- 0 0 113 -2,-0.5 -16,-0.2 1,-0.3 -2,-0.1 -0.531 127.6 -44.2 57.3-126.0 23.7 -21.2 -8.7 42 58 A G T 3 S+ 0 0 49 -2,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.286 113.5 113.5-109.1 7.4 23.3 -21.1 -4.9 43 59 A F E < -C 40 0A 25 -3,-2.4 -3,-1.7 1,-0.1 2,-0.2 -0.686 65.7-125.2 -92.3 128.6 22.5 -17.4 -4.8 44 60 A P E -C 39 0A 7 0, 0.0 50,-1.5 0, 0.0 2,-0.4 -0.483 27.8-175.1 -68.3 131.0 19.1 -16.0 -3.7 45 61 A I E -CD 38 93A 20 -7,-1.6 -7,-2.5 -2,-0.2 2,-0.5 -0.998 8.5-160.6-131.8 132.9 17.4 -13.6 -6.1 46 62 A D E + D 0 92A 0 46,-2.7 46,-2.3 -2,-0.4 2,-0.4 -0.950 12.6 178.9-117.4 123.3 14.1 -11.8 -5.5 47 63 A T E - D 0 91A 23 -2,-0.5 10,-1.5 -11,-0.4 2,-0.4 -0.958 13.3-157.1-127.2 144.6 12.0 -10.3 -8.3 48 64 A E E +eD 57 90A 0 42,-2.2 42,-2.8 -2,-0.4 2,-0.4 -0.972 13.2 176.4-121.3 132.6 8.7 -8.5 -8.4 49 65 A M E - D 0 89A 78 8,-3.0 4,-0.2 -2,-0.4 40,-0.2 -0.991 25.1-150.2-140.6 129.1 6.4 -8.3 -11.4 50 66 A E S S+ 0 0 144 38,-1.3 2,-0.2 -2,-0.4 -1,-0.2 0.962 85.1 68.9 -62.0 -57.1 3.0 -6.7 -11.7 51 67 A K S S- 0 0 179 37,-0.2 -2,-0.0 1,-0.1 37,-0.0 -0.489 108.5 -90.9 -63.2 129.9 1.6 -9.1 -14.4 52 68 A D + 0 0 138 -2,-0.2 2,-0.3 3,-0.0 -1,-0.1 -0.103 50.6 173.9 -51.9 130.1 1.1 -12.4 -12.7 53 69 A S - 0 0 54 -4,-0.2 -4,-0.1 3,-0.1 -1,-0.0 -0.958 34.0-131.3-129.0 153.1 4.0 -14.9 -12.9 54 70 A E S S+ 0 0 141 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.957 106.5 29.2 -66.5 -49.7 4.1 -18.3 -11.1 55 71 A Y S S+ 0 0 102 -3,-0.1 -8,-0.2 2,-0.1 -1,-0.2 0.400 108.7 80.9 -97.2 1.1 7.6 -17.8 -9.6 56 72 A S S S- 0 0 14 -10,-0.1 2,-0.3 -7,-0.1 -8,-0.2 -0.446 73.5-119.5 -98.1 178.2 7.6 -14.0 -9.3 57 73 A N B -e 48 0A 6 -10,-1.5 -8,-3.0 -2,-0.1 3,-0.1 -0.812 22.8-108.5-117.2 157.9 6.1 -11.8 -6.6 58 74 A K - 0 0 159 -2,-0.3 2,-0.4 -10,-0.2 -8,-0.1 -0.158 54.7 -74.2 -71.8 176.4 3.5 -9.0 -6.6 59 75 A I - 0 0 48 -9,-0.1 2,-0.3 -11,-0.1 -1,-0.1 -0.615 47.7-133.0 -78.8 126.9 4.5 -5.4 -6.1 60 76 A R - 0 0 11 -2,-0.4 70,-0.1 -3,-0.1 2,-0.1 -0.633 19.4-123.1 -82.2 134.6 5.4 -4.6 -2.5 61 77 A Q - 0 0 112 -2,-0.3 70,-1.3 68,-0.3 2,-0.1 -0.370 31.8-103.7 -73.0 154.5 3.8 -1.4 -1.1 62 78 A E B -f 131 0A 134 68,-0.2 2,-0.3 -2,-0.1 70,-0.2 -0.425 26.2-120.7 -81.3 155.7 6.0 1.3 0.3 63 79 A S - 0 0 25 68,-2.4 70,-0.2 -2,-0.1 -1,-0.1 -0.698 5.1-144.5 -92.9 145.6 6.7 2.0 4.0 64 80 A K + 0 0 212 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.332 62.0 121.5 -88.1 5.1 5.9 5.4 5.5 65 81 A I S S- 0 0 64 1,-0.1 2,-0.3 5,-0.0 -2,-0.1 -0.523 73.4-108.0 -72.2 134.2 8.9 5.2 7.9 66 82 A S > - 0 0 38 -2,-0.2 4,-1.1 1,-0.2 -1,-0.1 -0.445 22.7-162.7 -65.3 124.6 11.4 8.1 7.4 67 83 A K T 4 S+ 0 0 57 -2,-0.3 -1,-0.2 2,-0.1 76,-0.1 0.735 90.4 46.3 -78.7 -23.4 14.6 6.9 5.7 68 84 A T T 4 S+ 0 0 75 1,-0.1 -1,-0.1 74,-0.0 -2,-0.0 0.966 133.1 7.6 -79.3 -64.4 16.3 10.1 6.9 69 85 A E T 4 S+ 0 0 89 268,-0.1 -2,-0.1 2,-0.0 -1,-0.1 0.490 108.6 97.5 -98.7 -4.9 15.4 10.4 10.6 70 86 A G < - 0 0 3 -4,-1.1 2,-0.3 202,-0.1 76,-0.1 -0.159 49.3-152.5 -95.1 177.3 13.6 7.1 11.3 71 87 A T - 0 0 28 199,-0.1 2,-0.3 75,-0.1 -5,-0.1 -0.949 13.8-130.1-139.6 159.3 14.2 3.7 12.8 72 88 A V - 0 0 5 71,-0.3 6,-0.0 -2,-0.3 198,-0.0 -0.872 51.5 -83.1-104.6 148.7 13.0 0.1 12.6 73 89 A S > - 0 0 11 -2,-0.3 3,-1.4 1,-0.2 197,-0.1 -0.226 30.4-139.4 -50.7 130.4 12.1 -1.8 15.8 74 90 A Y T 3 S+ 0 0 42 1,-0.3 27,-0.2 195,-0.2 -1,-0.2 0.568 99.9 66.4 -70.3 -8.2 15.3 -3.2 17.4 75 91 A E T 3 S+ 0 0 86 194,-0.1 -1,-0.3 25,-0.1 -2,-0.1 0.672 90.7 76.9 -83.3 -20.9 13.1 -6.3 18.1 76 92 A Q S < S- 0 0 76 -3,-1.4 25,-0.4 1,-0.1 2,-0.3 -0.281 75.2-113.1 -96.3 175.9 12.5 -7.4 14.5 77 93 A K - 0 0 108 23,-0.1 50,-0.5 -2,-0.1 2,-0.3 -0.811 29.5-154.4-104.5 146.5 14.4 -9.2 11.6 78 94 A I E -G 99 0A 2 21,-2.9 21,-2.2 -2,-0.3 2,-0.6 -0.920 11.4-147.5-124.1 145.6 15.4 -7.4 8.4 79 95 A T E - H 0 125A 1 46,-2.0 46,-2.9 -2,-0.3 2,-0.5 -0.953 18.4-154.1-109.5 120.9 16.0 -8.5 4.8 80 96 A V E -GH 96 124A 1 16,-1.3 15,-2.8 -2,-0.6 16,-1.1 -0.821 16.3-177.3-100.3 127.4 18.6 -6.3 3.0 81 97 A E E -GH 94 123A 0 42,-2.8 42,-2.7 -2,-0.5 2,-0.4 -0.923 15.9-168.1-128.0 146.2 18.5 -6.1 -0.8 82 98 A T E +GH 93 122A 2 11,-2.6 11,-2.7 -2,-0.3 2,-0.3 -0.995 39.4 84.9-134.1 130.5 20.5 -4.5 -3.6 83 99 A G E -GH 92 121A 6 38,-2.4 38,-2.6 -2,-0.4 2,-0.3 -0.934 59.8 -69.3 175.8-158.1 19.4 -4.1 -7.3 84 100 A Q E -G 91 0A 42 7,-2.3 7,-2.8 -2,-0.3 2,-0.4 -0.937 23.1-156.1-133.9 152.6 17.5 -2.3 -10.0 85 101 A E E -G 90 0A 82 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.995 9.4-173.5-135.2 133.5 13.9 -1.5 -11.0 86 102 A K E > -G 89 0A 107 3,-2.9 3,-1.1 -2,-0.4 -2,-0.0 -0.949 57.8 -44.6-134.0 115.1 12.5 -0.7 -14.5 87 103 A D T 3 S- 0 0 181 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.733 126.8 -24.8 45.8 41.1 9.0 0.4 -15.6 88 104 A G T 3 S+ 0 0 36 1,-0.2 -38,-1.3 -38,-0.0 2,-0.3 0.592 120.6 92.5 100.4 12.1 7.0 -2.1 -13.5 89 105 A V E < -DG 49 86A 44 -3,-1.1 -3,-2.9 -40,-0.2 2,-0.5 -0.966 53.2-163.4-138.4 126.9 9.6 -4.9 -13.1 90 106 A K E -DG 48 85A 32 -42,-2.8 -42,-2.2 -2,-0.3 2,-0.5 -0.906 6.0-173.1-117.0 129.7 12.0 -5.2 -10.1 91 107 A V E +DG 47 84A 75 -7,-2.8 -7,-2.3 -2,-0.5 2,-0.4 -0.971 15.0 172.2-122.0 120.3 15.2 -7.3 -9.9 92 108 A Y E -DG 46 83A 2 -46,-2.3 -46,-2.7 -2,-0.5 2,-0.4 -0.984 27.8-141.0-136.1 137.0 17.1 -7.6 -6.6 93 109 A R E -DG 45 82A 12 -11,-2.7 -11,-2.6 -2,-0.4 2,-0.5 -0.798 28.1-129.2 -89.9 132.6 20.0 -9.6 -5.1 94 110 A V E + G 0 81A 0 -50,-1.5 -13,-0.2 -2,-0.4 3,-0.2 -0.739 31.1 170.0 -89.3 124.7 19.5 -10.7 -1.5 95 111 A M E S+ 0 0 3 -15,-2.8 -84,-2.3 -2,-0.5 2,-0.5 0.884 73.1 21.3 -98.6 -60.1 22.4 -9.8 0.9 96 112 A V E S-aG 11 80A 0 -16,-1.1 -16,-1.3 -86,-0.2 2,-0.7 -0.977 71.0-155.5-110.0 128.4 21.0 -10.6 4.3 97 113 A L E S-a 12 0A 3 -86,-3.0 -84,-0.5 -2,-0.5 -18,-0.2 -0.901 74.1 -32.3-104.9 109.6 18.0 -13.0 4.5 98 114 A E E S+ 0 0 69 -2,-0.7 -19,-0.2 1,-0.1 2,-0.2 0.927 95.3 157.5 43.1 62.1 16.0 -12.4 7.7 99 115 A G E - G 0 78A 2 -21,-2.2 -21,-2.9 -3,-0.1 -1,-0.1 -0.636 44.3 -99.8-106.0 167.5 18.9 -11.3 9.9 100 116 A T > - 0 0 55 -2,-0.2 4,-1.7 -23,-0.2 5,-0.1 -0.444 38.3-107.5 -78.5 159.5 19.3 -9.3 13.0 101 117 A I H > S+ 0 0 8 -25,-0.4 4,-2.1 -27,-0.2 47,-0.1 0.760 113.5 59.6 -60.6 -24.3 20.4 -5.6 12.8 102 118 A A H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.997 109.2 34.1 -72.5 -68.3 23.8 -6.6 14.2 103 119 A E H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.814 116.0 62.3 -60.8 -24.8 25.2 -9.1 11.7 104 120 A S H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.978 103.6 46.7 -57.6 -53.1 23.4 -7.0 9.2 105 121 A I H < S+ 0 0 31 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.807 121.8 37.5 -61.9 -29.7 25.6 -4.0 10.2 106 122 A E H >X S+ 0 0 114 -4,-1.8 3,-2.2 2,-0.2 4,-0.6 0.957 114.5 47.6 -84.5 -60.3 28.7 -6.2 10.0 107 123 A H H 3< S+ 0 0 14 -4,-2.5 3,-0.3 1,-0.3 -3,-0.2 0.719 108.9 63.8 -50.7 -20.8 28.1 -8.6 7.0 108 124 A L T 3< S+ 0 0 10 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.693 105.0 39.9 -81.7 -20.8 27.1 -5.3 5.3 109 125 A D T <4 S+ 0 0 61 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.368 90.4 140.3 -99.4 3.9 30.6 -3.6 5.5 110 126 A K >X - 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0 0 18 2,-0.5 -1,-0.1 -5,-0.4 3,-0.1 0.592 63.5 -93.4 -84.7 -13.9 21.1 36.5 22.1 607 281 B G S S+ 0 0 71 1,-0.3 2,-0.3 -5,-0.1 -5,-0.1 0.419 102.1 49.0 108.1 1.0 22.1 35.9 25.8 608 282 B L S S- 0 0 52 -6,-0.0 -2,-0.5 0, 0.0 -1,-0.3 -0.972 81.9-102.8-158.2 166.6 18.5 36.0 27.2 609 283 B R > - 0 0 113 -2,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.593 29.9-116.5 -93.2 150.5 15.0 34.5 26.6 610 284 B F G > S+ 0 0 1 -12,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.889 117.8 60.9 -48.9 -41.5 12.0 36.3 25.0 611 285 B S G 3 S+ 0 0 6 1,-0.3 -1,-0.3 -196,-0.1 -194,-0.2 0.600 93.0 65.8 -63.8 -11.8 10.3 35.9 28.5 612 286 B D G < S+ 0 0 88 -3,-2.1 -1,-0.3 -197,-0.1 -2,-0.2 0.584 86.6 87.2 -83.2 -13.5 13.1 38.0 30.0 613 287 B L S < S- 0 0 4 -3,-1.9 2,-0.1 -4,-0.4 69,-0.1 -0.518 90.3-100.4 -77.6 154.8 11.9 41.0 27.9 614 288 B P > - 0 0 15 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.408 32.4-104.2 -77.9 158.0 9.1 43.3 29.3 615 289 B L H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -121,-0.3 0.858 115.5 48.3 -47.9 -49.1 5.4 43.0 28.4 616 290 B R H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 110.9 48.1 -64.7 -44.9 5.3 46.2 26.1 617 291 B T H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.896 111.2 51.7 -61.7 -44.9 8.4 45.4 24.1 618 292 B R H X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.949 108.8 51.8 -54.6 -49.7 7.2 41.8 23.5 619 293 B T H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.905 109.7 50.3 -53.9 -44.2 3.9 43.3 22.3 620 294 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.934 111.1 46.2 -62.3 -48.7 5.8 45.6 19.8 621 295 B L H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 112.8 49.9 -63.6 -42.9 7.9 42.9 18.2 622 296 B V H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.917 109.5 54.2 -61.2 -39.0 4.9 40.5 17.8 623 297 B S H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.949 108.7 44.9 -59.4 -53.2 2.9 43.4 16.2 624 298 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.935 115.1 49.6 -61.8 -42.7 5.5 44.2 13.5 625 299 B G H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.912 107.3 55.3 -56.3 -43.0 5.9 40.5 12.8 626 300 B Y H < S+ 0 0 49 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.917 116.2 36.1 -60.7 -45.4 2.1 40.0 12.5 627 301 B Q H < S+ 0 0 72 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.937 128.8 30.8 -73.7 -46.8 1.7 42.7 9.9 628 302 B K H < S- 0 0 62 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.619 122.6 -81.2 -89.4 -12.2 5.0 42.2 7.8 629 303 B G < - 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 6,-0.1 -0.103 38.5 -98.0 107.9 145.7 5.5 38.5 8.3 630 304 B F S S+ 0 0 80 1,-0.2 2,-1.7 -4,-0.1 3,-0.1 0.723 100.6 80.1 -74.4 -27.8 7.1 36.5 11.1 631 305 B K >> + 0 0 106 1,-0.2 4,-2.4 -6,-0.1 3,-1.4 -0.558 58.8 179.6 -89.1 94.4 10.7 36.0 9.9 632 306 B L H 3> S+ 0 0 2 -2,-1.7 4,-2.6 1,-0.3 8,-0.4 0.713 70.5 69.5 -74.4 -23.8 12.0 39.5 10.8 633 307 B S H 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.2 8,-0.1 0.850 116.6 29.0 -61.9 -34.0 15.5 38.9 9.6 634 308 B R H <4 S+ 0 0 179 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.875 129.3 38.9 -82.4 -49.4 13.9 38.9 6.1 635 309 B T H < S+ 0 0 27 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.728 134.7 13.3 -82.6 -28.3 10.9 41.2 6.7 636 310 B A S X S+ 0 0 5 -4,-2.6 4,-2.2 -5,-0.2 3,-0.3 -0.347 71.0 166.9-145.4 67.4 12.3 43.9 8.9 637 311 B P H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.759 74.6 52.1 -51.1 -45.1 16.2 43.5 8.9 638 312 B T H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.935 113.6 44.9 -64.3 -45.5 17.2 46.8 10.6 639 313 B V H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.912 113.8 49.6 -60.0 -46.2 14.8 46.1 13.5 640 314 B W H X S+ 0 0 29 -4,-2.2 4,-2.6 -8,-0.4 5,-0.2 0.932 108.0 53.8 -65.7 -42.3 16.0 42.5 13.8 641 315 B N H X S+ 0 0 95 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.924 109.9 47.5 -55.5 -46.7 19.7 43.6 13.8 642 316 B K H >X>S+ 0 0 75 -4,-2.1 5,-1.8 1,-0.2 4,-0.7 0.952 110.6 53.2 -59.7 -47.9 19.1 46.0 16.7 643 317 B V H ><5S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.930 109.7 45.4 -52.4 -52.0 17.2 43.3 18.6 644 318 B I H 3<5S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.644 112.1 52.6 -76.7 -9.6 20.0 40.7 18.4 645 319 B A H <<5S- 0 0 67 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.510 106.3-129.3 -89.1 -6.1 22.6 43.4 19.3 646 320 B K T <<5 + 0 0 98 -3,-1.3 2,-0.9 -4,-0.7 -3,-0.2 0.812 58.4 146.7 58.3 32.8 20.6 44.3 22.4 647 321 B D >< + 0 0 71 -5,-1.8 4,-1.3 -6,-0.2 -1,-0.2 -0.780 21.5 177.2-100.7 98.5 20.8 48.0 21.4 648 322 B W H > S+ 0 0 23 -2,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.843 77.1 49.1 -79.5 -38.6 17.5 49.3 22.6 649 323 B N H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.938 111.2 52.8 -59.1 -49.2 18.0 53.0 21.6 650 324 B G H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.846 107.1 54.5 -50.0 -36.0 19.0 51.8 18.2 651 325 B L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.931 105.7 49.1 -70.9 -45.4 15.8 49.8 18.2 652 326 B V H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.947 113.3 49.9 -56.2 -44.9 13.6 52.8 18.8 653 327 B N H X S+ 0 0 93 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.853 107.7 51.3 -63.7 -37.3 15.5 54.5 16.0 654 328 B A H < S+ 0 0 8 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.901 110.2 51.1 -67.1 -39.0 15.0 51.6 13.6 655 329 B F H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.932 109.3 50.2 -60.3 -45.9 11.3 51.7 14.3 656 330 B N H 3< S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.697 108.8 52.3 -69.6 -20.2 11.0 55.4 13.7 657 331 B N T 3< S+ 0 0 107 -4,-1.1 2,-0.4 -3,-0.3 -1,-0.2 0.408 77.0 113.0 -99.1 1.8 12.8 55.3 10.3 658 332 B I < - 0 0 24 -3,-1.0 2,-0.6 -4,-0.4 3,-0.1 -0.625 46.3-166.4 -73.5 125.1 10.8 52.6 8.5 659 333 B V + 0 0 131 -2,-0.4 -1,-0.0 1,-0.1 -3,-0.0 -0.870 36.3 134.4-113.1 97.2 8.9 54.0 5.6 660 334 B D S S- 0 0 50 -2,-0.6 -1,-0.1 0, 0.0 -2,-0.0 0.230 83.2 -98.5-110.2 4.1 6.3 51.4 4.5 661 335 B G S S+ 0 0 76 -3,-0.1 3,-0.2 0, 0.0 -2,-0.1 0.391 115.5 88.9 83.1 -6.4 3.3 53.7 4.2 662 336 B M >> + 0 0 89 1,-0.1 4,-1.5 2,-0.1 3,-1.2 0.084 46.7 137.8-101.6 16.2 2.5 52.4 7.7 663 337 B S H 3> + 0 0 37 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.732 62.6 57.5 -43.2 -45.0 4.4 55.1 9.6 664 338 B D H 3> S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.914 111.5 42.5 -54.9 -46.4 1.9 55.9 12.4 665 339 B R H <> S+ 0 0 26 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.880 111.9 53.9 -68.6 -40.3 1.8 52.2 13.6 666 340 B R H X S+ 0 0 1 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.934 111.0 47.8 -58.9 -44.6 5.6 51.8 13.3 667 341 B K H X S+ 0 0 92 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.881 107.8 53.6 -64.8 -38.4 6.0 54.8 15.5 668 342 B R H X S+ 0 0 103 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.915 109.2 50.3 -64.3 -39.2 3.4 53.6 18.0 669 343 B E H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.962 109.5 50.8 -57.3 -52.2 5.4 50.3 18.3 670 344 B G H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.875 106.0 56.4 -50.7 -41.2 8.6 52.4 18.8 671 345 B A H X S+ 0 0 51 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.865 101.6 55.6 -66.9 -35.8 6.9 54.3 21.6 672 346 B L H X S+ 0 0 17 -4,-1.7 4,-2.0 -3,-0.3 -55,-0.2 0.970 108.6 48.5 -57.2 -49.8 6.1 51.1 23.5 673 347 B V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.941 109.2 53.0 -54.8 -46.3 9.8 50.3 23.4 674 348 B Q H X S+ 0 0 65 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.884 104.3 55.8 -58.1 -39.8 10.7 53.8 24.7 675 349 B K H X S+ 0 0 111 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.908 105.3 52.3 -61.1 -40.9 8.3 53.4 27.6 676 350 B D H <>S+ 0 0 2 -4,-2.0 6,-1.6 1,-0.2 5,-0.9 0.848 110.2 49.1 -64.6 -29.6 10.1 50.3 28.7 677 351 B I H ><5S+ 0 0 38 -4,-1.7 3,-1.1 -5,-0.2 -2,-0.2 0.924 108.1 52.6 -72.1 -41.7 13.4 52.3 28.5 678 352 B D H 3<5S+ 0 0 122 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.768 110.2 48.4 -64.5 -25.5 12.0 55.2 30.6 679 353 B S T 3<5S- 0 0 61 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.499 109.9-124.6 -92.5 -4.7 10.9 52.8 33.3 680 354 B G T < 5S+ 0 0 53 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.517 78.1 122.0 75.8 4.9 14.3 51.1 33.4 681 355 B L S