==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 26-MAY-10 3N78 . COMPND 2 MOLECULE: SGRAIR RESTRICTION ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR N.C.HORTON,E.J.LITTLE,P.W.DUNTEN . 669 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.3 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 . 1 0.1 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 . 39 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 2 6 0 0 1 1 0 0 1 1 3 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 5 1 0 3 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 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A P 0 0 41 0, 0.0 45,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-163.2 6.9 7.9 -1.1 2 3 A F + 0 0 19 1,-0.1 2,-0.4 2,-0.1 43,-0.1 0.703 360.0 45.2 -71.2 -17.9 10.3 8.2 0.8 3 4 A T S S- 0 0 87 70,-0.0 -1,-0.1 2,-0.0 66,-0.0 -0.996 108.5 -99.5-125.2 125.9 12.0 6.9 -2.4 4 5 A Y - 0 0 54 -2,-0.4 2,-0.4 1,-0.1 -2,-0.1 -0.106 41.4-176.0 -50.7 135.3 10.9 8.5 -5.6 5 6 A S >> - 0 0 44 -4,-0.1 4,-2.2 1,-0.1 3,-1.0 -0.863 21.3-156.3-141.0 95.0 8.4 6.3 -7.5 6 7 A I H 3> S+ 0 0 104 -2,-0.4 4,-1.3 1,-0.3 -1,-0.1 0.658 96.9 57.5 -55.5 -12.3 7.3 7.4 -11.0 7 8 A E H 3> S+ 0 0 122 2,-0.2 4,-1.0 3,-0.1 -1,-0.3 0.906 106.0 45.0 -80.5 -44.1 4.2 5.3 -10.5 8 9 A A H <4 S+ 0 0 37 -3,-1.0 3,-0.4 1,-0.2 -2,-0.2 0.881 115.9 50.4 -62.1 -36.3 3.1 7.1 -7.3 9 10 A T H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.873 104.6 56.4 -67.6 -39.7 3.9 10.3 -9.1 10 11 A R H 3< S+ 0 0 60 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.686 106.0 51.6 -68.2 -19.1 1.8 9.2 -12.1 11 12 A N T 3< S+ 0 0 124 -4,-1.0 2,-0.4 -3,-0.4 -1,-0.3 0.337 86.2 113.0 -98.6 4.4 -1.2 8.8 -9.9 12 13 A L S < S- 0 0 35 -3,-1.4 2,-0.1 -5,-0.1 5,-0.1 -0.653 75.8-119.2 -78.0 126.5 -0.9 12.2 -8.4 13 14 A A >> - 0 0 47 -2,-0.4 3,-3.0 1,-0.1 4,-0.8 -0.465 36.9-108.8 -55.1 135.6 -3.6 14.7 -9.3 14 15 A T T 34 S+ 0 0 91 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.730 120.4 56.8 -44.4 -25.6 -1.7 17.4 -11.1 15 16 A T T 34 S+ 0 0 98 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.124 100.8 54.9 -97.8 17.9 -2.2 19.6 -8.0 16 17 A E T <4 S+ 0 0 91 -3,-3.0 -1,-0.2 -7,-0.1 -2,-0.2 0.345 81.6 119.2-123.9 -8.0 -0.6 17.2 -5.6 17 18 A R S < S- 0 0 50 -4,-0.8 23,-0.1 -3,-0.3 24,-0.1 -0.096 70.3-127.4 -52.2 158.2 2.6 17.1 -7.7 18 19 A C S S+ 0 0 3 22,-0.1 19,-3.1 55,-0.1 2,-0.3 0.813 92.4 50.5 -86.5 -32.8 5.7 18.4 -5.9 19 20 A I E S-A 36 0A 6 17,-0.2 2,-0.4 55,-0.1 17,-0.2 -0.800 71.9-155.9-101.8 149.5 6.7 20.9 -8.6 20 21 A Q E -A 35 0A 53 15,-1.7 15,-2.1 -2,-0.3 2,-0.4 -0.966 10.1-140.8-130.4 116.6 4.3 23.5 -9.9 21 22 A D E +A 34 0A 59 -2,-0.4 13,-0.2 13,-0.2 3,-0.1 -0.595 28.2 165.1 -74.2 128.3 4.8 25.1 -13.4 22 23 A I + 0 0 15 11,-3.0 5,-0.1 -2,-0.4 12,-0.1 -0.148 32.7 120.8-135.9 43.0 3.9 28.7 -13.3 23 24 A R S S+ 0 0 94 1,-0.2 -1,-0.1 2,-0.1 11,-0.1 0.434 92.4 36.1 -87.4 4.7 5.3 30.1 -16.5 24 25 A N S S+ 0 0 139 9,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.418 116.7 55.0-123.7 -16.1 1.8 31.2 -17.3 25 26 A A S S- 0 0 59 8,-0.2 -2,-0.1 2,-0.0 -1,-0.0 -0.459 81.3-170.8-118.1 56.5 0.8 32.0 -13.8 26 27 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.079 20.9-120.6 -56.4 148.6 3.5 34.5 -12.9 27 28 A V B > -B 30 0B 45 3,-0.7 3,-2.7 5,-0.4 2,-0.1 -0.693 40.5 -85.8 -89.3 142.1 3.8 35.6 -9.3 28 29 A R T 3 S- 0 0 84 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.239 108.6 -16.7 -46.2 109.0 3.4 39.3 -8.4 29 30 A N T 3 S+ 0 0 179 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.691 113.7 117.8 69.6 18.8 6.9 40.8 -8.9 30 31 A R B < -B 27 0B 161 -3,-2.7 -3,-0.7 2,-0.1 -1,-0.2 -0.978 57.5-154.1-130.0 131.5 8.6 37.4 -8.8 31 32 A S + 0 0 122 -2,-0.4 -1,-0.1 -5,-0.1 -3,-0.0 0.491 48.2 142.1 -77.8 -3.9 10.6 35.6 -11.5 32 33 A T + 0 0 50 1,-0.1 -5,-0.4 -5,-0.1 3,-0.1 -0.050 24.4 176.1 -44.0 130.4 9.6 32.2 -10.1 33 34 A Q + 0 0 91 1,-0.3 -11,-3.0 54,-0.3 2,-0.4 0.748 69.5 23.6-106.0 -41.1 9.0 29.7 -12.8 34 35 A F E S-A 21 0A 4 53,-0.5 -1,-0.3 -13,-0.2 2,-0.3 -0.994 72.5-146.2-130.7 131.6 8.4 26.5 -10.7 35 36 A Q E -A 20 0A 88 -15,-2.1 -15,-1.7 -2,-0.4 2,-0.8 -0.656 15.3-128.8 -94.3 150.6 7.2 26.4 -7.1 36 37 A L E -A 19 0A 22 -2,-0.3 2,-2.5 -17,-0.2 -17,-0.2 -0.877 18.1-146.6 -95.8 103.7 8.2 23.7 -4.6 37 38 A A > - 0 0 19 -19,-3.1 4,-3.1 -2,-0.8 3,-0.2 -0.449 22.5-179.9 -73.8 79.0 4.9 22.5 -3.2 38 39 A Q H > S+ 0 0 33 -2,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.892 78.4 49.8 -52.2 -49.3 6.4 21.9 0.2 39 40 A Q H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.936 114.2 46.8 -51.9 -46.8 3.1 20.6 1.7 40 41 A N H > S+ 0 0 32 -3,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.958 110.3 51.3 -61.8 -51.8 2.8 18.3 -1.3 41 42 A M H X S+ 0 0 0 -4,-3.1 4,-3.2 -23,-0.2 5,-0.5 0.915 108.1 54.1 -50.6 -49.4 6.4 17.1 -1.0 42 43 A L H X S+ 0 0 0 -4,-2.9 4,-3.2 -5,-0.2 168,-0.3 0.935 111.2 43.5 -50.4 -51.9 5.9 16.3 2.7 43 44 A A H X S+ 0 0 28 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.827 118.8 45.1 -69.7 -30.3 2.9 14.1 2.0 44 45 A Y H >< S+ 0 0 21 -4,-2.5 3,-0.7 -5,-0.2 4,-0.3 0.983 123.0 33.8 -70.4 -64.1 4.6 12.4 -0.9 45 46 A T H 3< S+ 0 0 1 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.861 136.5 24.1 -60.5 -39.5 7.9 11.9 0.8 46 47 A F H 3< S+ 0 0 0 -4,-3.2 164,-2.5 -5,-0.5 -1,-0.2 0.099 76.7 126.1-122.4 25.2 6.5 11.3 4.3 47 48 A G S << S+ 0 0 17 -3,-0.7 164,-0.3 -4,-0.7 -1,-0.1 0.879 99.0 3.3 -43.3 -46.1 3.0 10.1 3.6 48 49 A E S S+ 0 0 156 -4,-0.3 2,-0.6 -3,-0.2 -1,-0.2 0.432 114.6 86.1-131.0 -4.8 3.6 7.1 5.8 49 50 A V + 0 0 19 -4,-0.2 161,-0.6 5,-0.1 5,-0.1 -0.896 43.8 179.0 -94.4 126.2 7.1 7.4 7.1 50 51 A I > - 0 0 3 -2,-0.6 3,-2.4 159,-0.2 159,-0.1 -0.861 38.6-124.0-117.5 96.5 7.5 9.4 10.3 51 52 A P T 3 S+ 0 0 0 0, 0.0 265,-0.0 0, 0.0 -2,-0.0 0.049 95.5 29.9 -48.7 139.6 11.2 9.2 10.9 52 53 A G T 3 S+ 0 0 0 3,-0.3 4,-0.0 268,-0.0 -3,-0.0 0.052 120.7 59.6 97.1 -21.3 12.2 7.7 14.2 53 54 A F S < S+ 0 0 27 -3,-2.4 3,-0.1 155,-0.0 2,-0.1 0.079 99.3 61.0-124.1 22.4 9.0 5.8 14.1 54 55 A A S S- 0 0 30 1,-0.3 2,-0.1 -5,-0.1 -5,-0.1 -0.016 97.6 -14.8-121.6-139.6 9.6 3.8 10.9 55 56 A S > - 0 0 64 1,-0.1 4,-3.4 -2,-0.1 -1,-0.3 -0.415 56.4-124.9 -70.0 146.9 12.0 1.2 9.5 56 57 A A H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.915 116.0 60.7 -56.4 -42.3 15.3 0.8 11.4 57 58 A G H 4 S+ 0 0 54 2,-0.2 3,-0.4 1,-0.2 4,-0.3 0.947 113.5 34.9 -44.5 -57.4 16.8 1.5 8.1 58 59 A I H >4 S+ 0 0 17 1,-0.2 3,-3.0 2,-0.2 259,-0.3 0.987 110.4 60.5 -64.1 -62.7 15.1 4.9 8.2 59 60 A N H 3< S+ 0 0 13 -4,-3.4 259,-2.0 1,-0.3 260,-0.3 0.648 115.4 35.2 -40.1 -26.4 15.3 5.7 11.9 60 61 A G T 3< S+ 0 0 44 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.325 86.5 120.1-118.6 2.2 19.1 5.5 11.9 61 62 A M S < S- 0 0 51 -3,-3.0 256,-0.5 -4,-0.3 2,-0.3 -0.308 87.9 -81.6 -55.4 152.6 19.7 7.0 8.5 62 63 A D >> - 0 0 59 1,-0.2 3,-1.0 254,-0.1 4,-1.0 -0.519 42.4-133.1 -62.0 124.1 21.8 10.2 8.7 63 64 A Y H 3> S+ 0 0 1 252,-3.3 4,-2.4 -2,-0.3 5,-0.2 0.709 101.7 60.1 -62.1 -22.6 19.2 12.7 9.6 64 65 A R H 3> S+ 0 0 129 251,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.909 102.9 50.3 -66.9 -43.4 20.5 15.2 7.0 65 66 A D H <4 S+ 0 0 79 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.703 112.9 49.8 -69.8 -20.3 19.8 12.7 4.2 66 67 A V H >< S+ 0 0 0 -4,-1.0 3,-1.9 2,-0.2 -2,-0.2 0.941 111.6 43.6 -77.3 -60.6 16.3 12.3 5.6 67 68 A I H 3< S+ 0 0 2 -4,-2.4 4,-0.3 1,-0.3 -2,-0.2 0.766 115.8 51.8 -56.3 -27.9 15.4 16.0 5.9 68 69 A G T 3X S+ 0 0 25 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.3 0.465 88.2 85.4 -90.0 -1.4 16.9 16.6 2.5 69 70 A R H <> S+ 0 0 51 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.961 79.8 58.4 -65.5 -53.1 14.9 13.8 0.8 70 71 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.829 109.0 47.1 -49.3 -38.4 11.7 15.7 0.0 71 72 A V H >> S+ 0 0 18 -4,-0.3 4,-2.5 2,-0.2 3,-0.6 0.998 109.7 50.9 -66.3 -64.9 13.8 18.2 -2.0 72 73 A E H 3X S+ 0 0 95 -4,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.874 110.8 51.7 -29.9 -59.2 15.7 15.5 -4.0 73 74 A N H 3X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 -1,-0.3 0.914 110.4 46.8 -49.8 -50.9 12.4 13.8 -4.8 74 75 A A H S+ 0 0 0 -4,-2.6 4,-4.0 2,-0.2 5,-0.8 0.962 112.1 46.5 -51.3 -59.7 10.7 18.4 -12.2 79 80 A T H X5S+ 0 0 75 -4,-2.4 4,-3.4 1,-0.2 -2,-0.2 0.943 114.4 48.0 -48.8 -59.9 13.5 17.0 -14.3 80 81 A H H <5S+ 0 0 85 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.911 121.8 35.1 -41.9 -55.3 11.3 14.1 -15.4 81 82 A F H <5S+ 0 0 64 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.849 139.1 12.1 -72.7 -45.4 8.3 16.3 -16.2 82 83 A F H ><5S- 0 0 26 -4,-4.0 3,-0.8 -5,-0.3 2,-0.5 0.501 78.5-173.3-116.2 -12.0 10.1 19.3 -17.6 83 84 A R T 3<> - 0 0 70 -2,-0.3 4,-1.6 1,-0.1 3,-1.4 -0.308 23.4-115.0 -73.0 150.7 16.6 29.0 -7.2 90 91 A S H 3> S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 115.3 61.8 -40.4 -47.0 18.8 28.1 -4.3 91 92 A N H 3> S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.765 99.5 52.5 -64.5 -26.9 16.5 30.2 -2.1 92 93 A A H <> S+ 0 0 33 -3,-1.4 4,-2.9 2,-0.2 5,-0.4 0.968 110.6 48.5 -64.2 -53.3 13.5 28.1 -2.8 93 94 A K H X S+ 0 0 83 -4,-1.6 4,-2.5 1,-0.3 -2,-0.2 0.888 114.3 45.8 -55.5 -42.0 15.4 25.0 -1.8 94 95 A A H X S+ 0 0 59 -4,-2.6 4,-2.1 2,-0.2 -1,-0.3 0.847 112.0 52.2 -69.2 -34.3 16.6 26.8 1.4 95 96 A K H X S+ 0 0 90 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.972 117.9 35.2 -65.8 -53.2 13.1 28.1 2.1 96 97 A V H X S+ 0 0 7 -4,-2.9 4,-3.2 2,-0.2 3,-0.3 0.949 115.0 55.8 -68.4 -50.5 11.5 24.7 1.9 97 98 A A H X S+ 0 0 16 -4,-2.5 4,-2.0 -5,-0.4 -1,-0.2 0.918 109.1 47.8 -46.5 -52.2 14.4 22.7 3.3 98 99 A G H X S+ 0 0 29 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.843 113.0 48.2 -62.1 -36.6 14.3 24.9 6.4 99 100 A D H X S+ 0 0 15 -4,-1.6 4,-2.7 -3,-0.3 3,-0.4 0.944 109.2 52.6 -67.2 -48.6 10.6 24.5 6.8 100 101 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.3 5,-0.4 0.867 106.1 53.9 -56.1 -38.3 10.7 20.7 6.3 101 102 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.3 0.895 111.6 46.2 -63.9 -36.6 13.3 20.3 9.0 102 103 A E H X S+ 0 0 33 -4,-1.1 4,-1.3 -3,-0.4 -2,-0.2 0.913 116.5 43.4 -74.3 -42.6 11.0 22.2 11.4 103 104 A I H X S+ 0 0 32 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.939 116.0 44.6 -67.6 -51.3 7.9 20.3 10.5 104 105 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.899 111.5 53.4 -61.8 -45.0 9.3 16.8 10.4 105 106 A S H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.4 -1,-0.2 0.878 110.7 48.2 -57.3 -38.7 11.3 17.3 13.6 106 107 A S H X S+ 0 0 2 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.861 107.6 55.1 -71.7 -36.9 8.0 18.4 15.3 107 108 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.936 107.7 49.9 -60.7 -47.0 6.3 15.3 13.8 108 109 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.983 112.6 46.3 -52.2 -56.0 8.9 13.2 15.5 109 110 A M H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.822 107.2 59.5 -60.6 -30.4 8.3 15.0 18.8 110 111 A W H >X S+ 0 0 13 -4,-2.6 4,-1.7 2,-0.2 3,-1.0 0.994 108.9 42.2 -55.1 -63.8 4.6 14.6 18.3 111 112 A N H 3X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.3 5,-0.4 0.861 108.6 61.1 -52.1 -40.7 4.9 10.8 18.2 112 113 A C H 3X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.881 108.3 43.4 -55.6 -38.5 7.3 11.0 21.1 113 114 A A H X S+ 0 0 3 -4,-1.7 4,-3.0 2,-0.2 3,-0.7 0.976 111.0 37.8 -57.7 -80.2 2.0 10.1 21.9 115 116 A R H 3X S+ 0 0 1 -4,-1.5 4,-1.7 1,-0.3 5,-0.3 0.846 119.3 52.5 -30.6 -50.6 3.8 7.1 23.3 116 117 A W H 3X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.4 -1,-0.3 0.934 111.5 43.5 -59.2 -48.9 4.7 9.3 26.3 117 118 A N H X>S+ 0 0 19 -4,-3.0 3,-4.1 -5,-0.2 5,-1.2 0.971 115.0 36.3 -46.5 -85.7 -0.2 6.8 26.4 119 120 A L H 3<5S+ 0 0 8 -4,-1.7 -2,-0.2 5,-0.6 -1,-0.2 0.841 111.0 64.4 -34.2 -49.9 2.1 5.3 29.1 120 121 A M H 3<5S+ 0 0 0 -4,-2.8 19,-0.8 -5,-0.3 22,-0.3 0.660 111.0 37.3 -52.8 -16.9 1.7 8.5 31.2 121 122 A V H <<5S- 0 0 46 -3,-4.1 -2,-0.2 -4,-0.6 -3,-0.1 0.849 133.2 -62.5-103.2 -78.1 -2.0 7.6 31.5 122 123 A G T <5S+ 0 0 69 -4,-0.7 -3,-0.2 -5,-0.1 2,-0.1 0.096 101.5 107.0-162.6 11.1 -2.7 3.8 31.9 123 124 A E < - 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0 0 29 -2,-3.5 2,-0.3 -3,-0.3 -1,-0.1 -0.656 68.4-145.2-144.8 82.0 5.1 17.8 38.4 336 338 A N 0 0 140 -2,-0.1 -2,-0.1 1,-0.1 -3,-0.1 -0.315 360.0 360.0 -61.1 110.6 3.0 16.4 41.2 337 339 A G 0 0 76 -2,-0.3 -196,-0.3 -200,-0.1 -195,-0.1 -0.208 360.0 360.0-105.8 360.0 0.6 13.9 39.5 338 !* 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 0.0 339 2 B P 0 0 45 0, 0.0 4,-0.2 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 162.4 33.7 55.0 -12.8 340 3 B F + 0 0 24 43,-0.1 2,-0.5 2,-0.1 43,-0.1 0.790 360.0 55.2 -58.0 -29.8 30.3 55.6 -11.3 341 4 B T S S- 0 0 106 42,-0.0 2,-0.4 70,-0.0 -1,-0.0 -0.923 110.5-104.0 -99.3 131.4 29.0 55.6 -14.8 342 5 B Y - 0 0 54 -2,-0.5 2,-0.6 1,-0.1 -2,-0.1 -0.371 40.3-165.6 -58.2 110.8 29.9 52.4 -16.6 343 6 B S > - 0 0 31 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 -0.894 14.2-163.1 -97.9 119.7 32.7 53.3 -18.9 344 7 B I H >> S+ 0 0 112 -2,-0.6 4,-1.8 2,-0.2 3,-1.0 0.988 92.2 52.6 -54.0 -78.6 33.5 50.7 -21.7 345 8 B E H 3> S+ 0 0 121 1,-0.3 4,-2.8 2,-0.2 3,-0.2 0.743 111.9 47.9 -22.3 -54.2 37.0 52.2 -22.4 346 9 B A H 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.945 107.6 53.1 -59.5 -53.7 37.8 52.0 -18.7 347 10 B T H << S+ 0 0 3 -4,-2.1 3,-0.4 -3,-1.0 -1,-0.2 0.813 114.2 44.9 -51.7 -32.4 36.6 48.4 -18.4 348 11 B R H < S+ 0 0 173 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.881 105.7 58.5 -77.3 -42.9 39.0 47.7 -21.3 349 12 B N S < S+ 0 0 118 -4,-2.8 2,-0.5 -5,-0.3 -1,-0.2 0.421 91.1 111.3 -65.1 3.8 41.8 49.7 -19.9 350 13 B L - 0 0 33 -3,-0.4 5,-0.1 -4,-0.2 4,-0.1 -0.709 68.5-135.5 -90.8 122.5 41.4 47.3 -17.0 351 14 B A > - 0 0 47 -2,-0.5 4,-0.8 1,-0.1 3,-0.4 -0.081 31.4-113.0 -50.2 172.6 44.0 44.7 -16.1 352 15 B T T 4 S+ 0 0 89 2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.808 118.3 61.9 -88.5 -29.5 42.3 41.4 -15.4 353 16 B T T 4 S+ 0 0 108 1,-0.2 -1,-0.2 5,-0.0 -2,-0.1 0.438 108.8 50.0 -67.1 3.9 43.3 41.4 -11.7 354 17 B E T 4 S+ 0 0 82 -3,-0.4 -2,-0.2 -7,-0.1 -1,-0.2 0.683 80.5 118.3-112.5 -31.5 41.1 44.5 -11.9 355 18 B R < - 0 0 45 -4,-0.8 20,-0.2 1,-0.1 23,-0.1 0.019 62.8-138.2 -36.5 136.9 38.0 43.1 -13.7 356 19 B C S S+ 0 0 1 1,-0.1 19,-2.2 18,-0.1 2,-0.5 0.830 93.2 53.6 -71.7 -31.6 34.8 43.3 -11.6 357 20 B I E S-K 374 0H 3 17,-0.2 2,-0.5 55,-0.1 17,-0.2 -0.917 75.2-159.5-105.4 126.1 33.9 39.8 -12.8 358 21 B Q E -K 373 0H 52 15,-2.2 15,-2.3 -2,-0.5 2,-0.3 -0.919 10.1-141.8-105.4 128.5 36.3 37.0 -12.3 359 22 B D E +K 372 0H 51 -2,-0.5 13,-0.2 13,-0.2 12,-0.1 -0.718 32.2 157.7 -79.7 137.6 36.1 33.8 -14.4 360 23 B I > + 0 0 20 11,-1.9 3,-1.8 -2,-0.3 12,-0.2 0.085 32.7 119.5-147.3 17.3 37.0 30.7 -12.3 361 24 B R T 3 S+ 0 0 73 10,-0.4 11,-0.1 1,-0.3 -2,-0.0 0.764 91.5 37.7 -56.7 -26.1 35.3 28.0 -14.3 362 25 B N T 3 S+ 0 0 152 1,-0.2 -1,-0.3 9,-0.1 9,-0.0 -0.392 118.7 48.4-120.1 50.4 38.8 26.6 -14.5 363 26 B A S < S- 0 0 64 -3,-1.8 -1,-0.2 8,-0.0 -2,-0.1 0.019 84.7-172.7-177.0 47.0 40.0 27.5 -11.0 364 27 B P - 0 0 100 0, 0.0 2,-0.5 0, 0.0 5,-0.1 0.195 23.4-115.3 -60.2 165.4 37.2 26.2 -8.8 365 28 B V B > -L 368 0I 50 3,-0.6 3,-2.1 5,-0.3 5,-0.2 -0.904 41.8 -96.8-104.1 127.6 36.6 26.6 -5.0 366 29 B R T 3 S- 0 0 96 -2,-0.5 3,-0.1 1,-0.3 -1,-0.0 -0.146 110.0 -0.8 -42.4 119.8 36.7 23.4 -2.9 367 30 B N T 3 S+ 0 0 111 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.827 112.3 113.1 61.5 37.9 33.0 22.4 -2.5 368 31 B R B < -L 365 0I 160 -3,-2.1 -3,-0.6 2,-0.1 -1,-0.2 -0.992 54.9-160.8-142.2 135.7 31.7 25.3 -4.6 369 32 B S + 0 0 116 -2,-0.4 2,-0.1 -5,-0.1 -3,-0.1 0.286 45.9 144.7 -90.6 10.0 29.9 25.6 -7.9 370 33 B T + 0 0 45 1,-0.2 -5,-0.3 -5,-0.2 3,-0.1 -0.296 19.9 172.4 -55.0 118.5 30.9 29.3 -8.0 371 34 B Q + 0 0 97 1,-0.3 -11,-1.9 54,-0.2 2,-0.4 0.806 66.6 27.3 -97.9 -41.3 31.6 29.9 -11.7 372 35 B F E S-K 359 0H 3 53,-0.4 -1,-0.3 -13,-0.2 -13,-0.2 -0.993 75.2-149.1-126.3 128.6 32.1 33.7 -11.7 373 36 B Q E -K 358 0H 93 -15,-2.3 -15,-2.2 -2,-0.4 2,-0.7 -0.563 13.8-126.4 -93.7 158.6 33.3 35.6 -8.7 374 37 B L E -K 357 0H 30 -17,-0.2 2,-1.8 -2,-0.2 -17,-0.2 -0.879 10.1-150.3-109.5 100.7 32.5 39.2 -7.7 375 38 B A + 0 0 16 -19,-2.2 3,-0.2 -2,-0.7 5,-0.1 -0.497 23.7 173.8 -64.2 88.8 35.5 41.3 -7.2 376 39 B Q S > S+ 0 0 30 -2,-1.8 4,-1.0 1,-0.2 3,-0.2 0.682 78.7 52.3 -78.3 -13.7 33.7 43.5 -4.7 377 40 B Q H > S+ 0 0 81 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.685 109.6 49.9 -88.2 -19.6 37.0 45.3 -4.0 378 41 B N H > S+ 0 0 28 2,-0.2 4,-0.5 3,-0.2 -2,-0.2 0.264 109.4 53.1 -93.8 6.1 37.3 45.9 -7.7 379 42 B M H > S+ 0 0 0 -3,-0.2 4,-1.4 3,-0.2 5,-0.3 0.618 108.8 46.6-114.0 -30.8 33.7 47.2 -7.7 380 43 B L H X S+ 0 0 0 -4,-1.0 4,-4.2 3,-0.2 5,-0.4 0.949 117.1 45.8 -62.5 -82.3 34.3 49.7 -5.0 381 44 B A H X S+ 0 0 29 -4,-1.1 4,-1.6 1,-0.2 166,-0.2 0.758 118.9 39.7 -11.8 -78.5 37.5 50.8 -6.8 382 45 B Y H < S+ 0 0 21 -4,-0.5 -1,-0.2 1,-0.2 3,-0.2 0.913 127.3 32.3 -54.0 -51.0 35.9 50.9 -10.3 383 46 B T H < S+ 0 0 1 -4,-1.4 4,-0.2 -3,-0.3 -2,-0.2 0.846 135.8 22.7 -80.3 -33.8 32.6 52.4 -9.3 384 47 B F H < S+ 0 0 0 -4,-4.2 163,-3.8 -5,-0.3 -3,-0.2 0.101 81.9 112.4-123.2 21.6 33.7 54.6 -6.3 385 48 B G S < S+ 0 0 17 -4,-1.6 161,-0.3 -5,-0.4 163,-0.2 0.715 98.3 23.1 -71.3 -18.4 37.4 55.2 -6.9 386 49 B E S S+ 0 0 162 -5,-0.2 2,-0.3 -4,-0.2 -1,-0.2 0.702 117.5 68.1-113.1 -29.9 36.6 58.9 -7.5 387 50 B V - 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0 0 0 10,-2.0 4,-0.8 1,-0.1 10,-0.1 -0.694 29.8-146.8 -80.5 122.5 16.7 47.5 27.5 632 296 B L T >4 S+ 0 0 3 -2,-0.5 3,-0.8 1,-0.2 -1,-0.1 0.863 95.2 56.8 -64.3 -44.2 16.6 44.3 29.5 633 297 B Y G >4 S+ 0 0 54 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.969 106.1 52.4 -36.4 -65.6 19.5 45.2 31.8 634 298 B G G >4 S+ 0 0 4 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.604 89.7 75.2 -57.0 -21.3 17.6 48.3 32.9 635 299 B L G << S+ 0 0 18 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.1 0.329 97.3 51.2 -77.9 8.2 14.3 46.5 33.8 636 300 B A G < S+ 0 0 44 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.372 124.2 22.9-115.6 -5.3 16.2 45.4 36.8 637 301 B E < 0 0 71 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.472 360.0 360.0-121.7 -98.8 17.3 48.9 37.8 638 302 B G 0 0 76 3,-0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.582 360.0 360.0-161.9 360.0 15.6 52.2 36.7 639 ! 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 0.0 640 306 B V 0 0 80 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 0.000 360.0 360.0 360.0 162.5 15.2 52.8 31.6 641 307 B H - 0 0 32 -10,-0.1 -10,-2.0 -12,-0.0 -7,-0.1 -0.955 360.0 -63.7-164.1 173.3 15.4 53.5 27.9 642 308 B R B -S 630 0M 89 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.2 -0.320 31.2-145.9 -64.0 153.7 15.3 51.8 24.5 643 309 B A S S+ 0 0 1 -14,-2.3 -32,-0.6 1,-0.3 2,-0.6 0.913 95.8 39.0 -77.1 -74.9 17.9 49.3 23.6 644 310 B I E S-p 611 0J 1 -15,-0.3 -1,-0.3 1,-0.2 -32,-0.2 -0.674 80.6-154.8 -75.5 118.0 18.0 50.3 19.9 645 311 B R E - 0 0 60 -34,-2.7 2,-0.3 -2,-0.6 -33,-0.2 0.894 64.5 -23.2 -64.0 -44.7 17.7 54.1 19.8 646 312 B E E -p 612 0J 87 -35,-0.7 -33,-2.0 -3,-0.1 2,-0.5 -0.985 49.4-126.1-163.0 163.7 16.2 54.2 16.3 647 313 B L E -p 613 0J 7 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.993 35.9-159.3-119.3 123.6 15.9 52.5 12.9 648 314 B Y E -p 614 0J 16 -35,-3.5 -33,-2.3 -2,-0.5 -2,-0.0 -0.821 18.0-166.2-118.9 144.3 17.0 54.8 10.1 649 315 B V - 0 0 56 -2,-0.3 -33,-0.1 -35,-0.2 -35,-0.1 -0.812 16.3-151.6-131.7 91.2 16.3 54.8 6.4 650 316 B P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 -248,-0.1 -0.392 12.0-171.9 -62.9 131.9 18.5 57.1 4.4 651 317 B P S S+ 0 0 60 0, 0.0 -250,-4.2 0, 0.0 -249,-0.3 0.788 75.1 9.9 -84.2 -39.9 17.0 58.5 1.1 652 318 B T S > S- 0 0 28 -252,-0.2 4,-2.1 -251,-0.2 3,-0.3 -0.942 73.7-113.1-140.6 157.7 20.3 60.0 -0.0 653 319 B A H > S+ 0 0 0 -254,-0.4 4,-2.4 -257,-0.4 -255,-0.2 0.899 120.3 57.6 -56.7 -39.3 23.9 59.9 0.9 654 320 B A H > S+ 0 0 9 -257,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.864 102.7 51.0 -58.2 -41.0 23.4 63.6 1.8 655 321 B D H > S+ 0 0 61 -3,-0.3 4,-2.6 -258,-0.3 5,-0.2 0.953 109.0 52.3 -64.6 -48.3 20.6 62.7 4.3 656 322 B L H X S+ 0 0 3 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.932 111.8 46.3 -45.2 -54.5 23.0 60.2 5.9 657 323 B A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.896 111.9 48.8 -63.4 -43.2 25.7 62.9 6.2 658 324 B R H X S+ 0 0 116 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.867 109.6 54.3 -65.1 -34.8 23.4 65.6 7.6 659 325 B R H X S+ 0 0 48 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.900 107.3 48.9 -65.3 -40.3 22.0 63.2 10.2 660 326 B F H X S+ 0 0 7 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.876 109.1 53.4 -71.3 -38.8 25.4 62.2 11.6 661 327 B F H X S+ 0 0 10 -4,-1.8 4,-3.8 2,-0.2 5,-0.2 0.956 108.2 48.0 -58.8 -53.6 26.5 65.8 11.9 662 328 B A H X S+ 0 0 60 -4,-2.1 4,-1.2 2,-0.2 5,-0.2 0.881 110.4 54.6 -58.7 -34.8 23.5 66.8 13.9 663 329 B F H >X S+ 0 0 14 -4,-1.7 4,-2.9 2,-0.2 3,-0.9 0.971 113.3 40.3 -59.8 -57.0 24.1 63.8 16.1 664 330 B L H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.918 112.3 58.4 -50.7 -46.6 27.6 64.9 16.7 665 331 B N H 3< S+ 0 0 42 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.719 117.7 30.8 -64.4 -20.2 26.4 68.4 17.1 666 332 B E H << S+ 0 0 151 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.703 123.4 47.2-108.2 -27.8 24.1 67.5 19.9 667 333 B R H >< S+ 0 0 22 -4,-2.9 3,-1.9 -5,-0.2 4,-0.4 0.889 100.3 59.0 -86.5 -45.1 26.1 64.6 21.4 668 334 B M T 3< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.683 83.5 86.7 -62.6 -14.8 29.7 66.0 21.7 669 335 B E T 3 S+ 0 0 114 -5,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.891 83.3 59.9 -48.3 -39.4 28.2 68.7 23.9 670 336 B L S < S+ 0 0 111 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.900 86.4 85.2 -58.7 -48.4 28.7 66.2 26.7 671 337 B V S S- 0 0 29 -3,-0.5 2,-0.4 -4,-0.4 -191,-0.1 -0.272 91.1-115.3 -48.5 140.4 32.5 66.0 26.1 672 338 B N 0 0 136 -193,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.724 360.0 360.0 -86.6 134.8 34.2 68.8 28.0 673 339 B G 0 0 74 -2,-0.4 -196,-0.1 -4,-0.2 -1,-0.1 -0.048 360.0 360.0 -60.3 360.0 35.8 71.4 25.8