==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-06 2HVV . COMPND 2 MOLECULE: DEOXYCYTIDYLATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR H.F.HOU,Z.Q.GAO,L.F.LI,Y.H.LIANG,X.D.SU,Y.H.DONG . 286 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 0 2 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 5 A L 0 0 121 0, 0.0 140,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 152.9 36.4 -0.6 -1.8 2 6 A S > - 0 0 64 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.253 360.0-105.2 -73.4 169.6 35.8 2.7 0.0 3 7 A W H > S+ 0 0 137 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.944 124.5 49.0 -62.8 -45.3 32.2 3.9 0.4 4 8 A Q H > S+ 0 0 60 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.916 110.4 50.7 -57.9 -45.9 32.9 6.5 -2.3 5 9 A D H > S+ 0 0 30 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.844 110.3 50.4 -61.9 -34.2 34.3 3.9 -4.5 6 10 A Y H X S+ 0 0 102 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.875 116.2 40.6 -72.2 -38.7 31.2 1.7 -4.0 7 11 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 3,-0.3 0.955 116.5 45.8 -75.6 -53.0 28.8 4.5 -4.8 8 12 A M H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.3 5,-0.2 0.798 110.4 59.1 -60.0 -26.0 30.7 6.0 -7.7 9 13 A A H X S+ 0 0 11 -4,-1.0 4,-1.9 -5,-0.4 -1,-0.3 0.918 106.6 45.3 -67.7 -43.2 31.1 2.4 -8.9 10 14 A N H X S+ 0 0 42 -4,-1.3 4,-4.3 -3,-0.3 5,-0.4 0.884 108.1 57.4 -67.4 -38.7 27.3 2.1 -8.9 11 15 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.965 112.6 40.0 -54.2 -54.8 26.9 5.4 -10.7 12 16 A E H < S+ 0 0 70 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.846 118.4 52.3 -61.6 -34.0 29.1 4.2 -13.5 13 17 A L H >< S+ 0 0 99 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.961 110.0 43.0 -68.5 -54.5 27.4 0.8 -13.2 14 18 A I H >< S+ 0 0 35 -4,-4.3 3,-2.2 1,-0.3 -2,-0.2 0.795 100.8 70.8 -66.0 -27.2 23.8 1.9 -13.4 15 19 A S G >< S+ 0 0 6 -4,-1.9 3,-1.8 -5,-0.4 -1,-0.3 0.769 84.0 72.9 -62.0 -21.2 24.5 4.3 -16.3 16 20 A K G < S+ 0 0 139 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.642 85.4 65.1 -67.5 -13.7 25.0 1.2 -18.4 17 21 A R G < S+ 0 0 148 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.474 74.0 131.3 -87.6 -2.0 21.3 0.7 -18.4 18 22 A S < - 0 0 5 -3,-1.8 24,-0.2 -4,-0.2 6,-0.1 -0.103 47.7-156.0 -49.3 146.2 20.8 3.9 -20.4 19 23 A T + 0 0 25 22,-2.4 32,-1.3 1,-0.1 2,-0.5 0.141 66.4 87.1-114.5 20.2 18.5 3.5 -23.4 20 24 A C > - 0 0 2 3,-0.5 3,-2.3 21,-0.5 -1,-0.1 -0.931 65.5-148.5-127.1 109.6 19.8 6.5 -25.4 21 25 A N T 3 S+ 0 0 99 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.795 94.2 60.4 -32.8 -51.4 22.8 6.1 -27.7 22 26 A R T 3 S+ 0 0 142 1,-0.1 2,-0.3 40,-0.0 -1,-0.3 0.637 111.9 21.9 -62.2 -21.1 23.9 9.6 -27.2 23 27 A A < - 0 0 33 -3,-2.3 2,-0.6 18,-0.1 -3,-0.5 -0.950 47.3-165.1-158.7 136.5 24.5 9.5 -23.4 24 28 A Y + 0 0 106 -2,-0.3 2,-0.3 -5,-0.1 -9,-0.1 -0.890 31.6 160.3-119.1 97.4 25.2 7.0 -20.6 25 29 A V - 0 0 17 -2,-0.6 16,-1.1 -10,-0.2 2,-0.3 -0.819 17.3-170.0-116.9 156.1 24.6 8.7 -17.3 26 30 A G E -A 40 0A 0 -2,-0.3 65,-1.4 14,-0.2 2,-0.4 -0.945 2.6-166.7-152.1 126.7 24.0 7.3 -13.9 27 31 A A E -AB 39 90A 0 12,-2.7 12,-2.0 -2,-0.3 2,-0.5 -0.930 1.7-166.1-117.8 137.6 22.9 8.9 -10.6 28 32 A V E -AB 38 89A 0 61,-2.7 61,-1.9 -2,-0.4 2,-0.5 -0.968 8.5-154.9-124.5 115.6 23.0 7.3 -7.1 29 33 A L E -AB 37 88A 0 8,-3.1 7,-2.6 -2,-0.5 8,-1.1 -0.783 18.0-169.5 -91.7 127.3 21.1 9.0 -4.3 30 34 A V E +AB 35 87A 1 57,-3.6 57,-3.0 -2,-0.5 2,-0.4 -0.946 16.7 179.6-124.5 140.4 22.6 8.2 -0.9 31 35 A K E > S-A 34 0A 64 3,-2.0 3,-1.9 -2,-0.4 55,-0.1 -0.990 79.2 -15.6-137.0 125.6 21.4 8.8 2.7 32 36 A N T 3 S- 0 0 129 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.927 129.3 -52.4 43.9 56.5 23.4 7.7 5.7 33 37 A N T 3 S+ 0 0 79 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.634 113.3 119.0 57.2 19.4 25.5 5.4 3.5 34 38 A R E < -A 31 0A 131 -3,-1.9 -3,-2.0 0, 0.0 2,-0.5 -0.960 67.3-128.3-118.8 128.7 22.5 3.7 1.9 35 39 A I E +A 30 0A 54 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.606 36.8 168.3 -68.5 119.8 21.7 3.7 -1.8 36 40 A I E + 0 0 31 -7,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.678 59.7 0.1-108.6 -25.3 18.0 4.9 -1.6 37 41 A A E -A 29 0A 2 -8,-1.1 -8,-3.1 2,-0.0 -1,-0.4 -0.978 61.9-169.0-160.9 154.4 17.3 5.7 -5.3 38 42 A T E -A 28 0A 41 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.889 0.7-169.5-142.3 173.8 19.1 5.7 -8.6 39 43 A G E -A 27 0A 4 -12,-2.0 -12,-2.7 -2,-0.3 2,-0.3 -0.994 5.4-175.9-163.6 158.6 18.8 6.8 -12.2 40 44 A Y E -A 26 0A 62 -2,-0.3 2,-1.6 -14,-0.3 26,-0.2 -0.921 54.1 -65.2-149.6 171.4 20.2 6.6 -15.7 41 45 A N S S+ 0 0 11 -16,-1.1 -22,-2.4 -2,-0.3 -21,-0.5 -0.454 82.1 134.2 -67.3 91.1 19.6 8.1 -19.1 42 46 A G B -E 66 0B 4 -2,-1.6 24,-2.8 24,-1.2 3,-0.1 -0.968 49.3-126.9-141.8 156.2 16.1 6.8 -19.8 43 47 A G - 0 0 13 -2,-0.3 22,-0.2 22,-0.3 23,-0.1 -0.084 61.5 -48.3 -86.0-168.6 12.7 7.9 -21.0 44 48 A V S > S- 0 0 4 20,-0.4 3,-0.9 4,-0.2 -1,-0.2 -0.383 70.3-103.5 -62.7 138.2 9.4 7.4 -19.2 45 49 A A T 3 S+ 0 0 43 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.352 106.3 24.0 -61.9 144.7 9.0 3.8 -18.1 46 50 A D T 3 S+ 0 0 137 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.834 104.3 100.7 67.9 33.3 6.6 1.9 -20.3 47 51 A T S < S- 0 0 17 -3,-0.9 -1,-0.3 226,-0.1 -4,-0.1 -0.966 84.7 -77.5-141.6 155.5 7.2 4.1 -23.4 48 52 A D - 0 0 65 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.2 -0.091 48.1-144.3 -49.3 153.3 9.3 3.7 -26.5 49 53 A N >>> - 0 0 27 1,-0.1 4,-1.5 -6,-0.1 3,-0.7 -0.958 26.3-113.9-127.5 145.5 13.1 4.4 -26.0 50 54 A a H 3>5S+ 0 0 4 -2,-0.3 4,-0.7 1,-0.3 -30,-0.2 0.805 119.0 61.7 -44.4 -25.8 15.7 6.0 -28.3 51 55 A D H 345S+ 0 0 78 -32,-1.3 -1,-0.3 2,-0.1 4,-0.1 0.959 112.1 27.9 -67.4 -55.0 17.1 2.4 -28.1 52 56 A D H <45S+ 0 0 137 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.1 0.965 136.4 21.9 -76.7 -53.9 14.1 0.5 -29.7 53 57 A V H <5S- 0 0 78 -4,-1.5 -3,-0.2 1,-0.3 -1,-0.1 0.368 111.6-108.4 -97.4 5.5 12.4 3.0 -32.0 54 58 A G << - 0 0 30 -4,-0.7 -1,-0.3 -5,-0.7 -2,-0.1 -0.233 52.9 -41.6 92.7 173.4 15.3 5.4 -32.5 55 59 A H - 0 0 64 -5,-0.1 2,-0.4 -4,-0.1 7,-0.0 -0.188 33.9-140.7 -76.4 167.6 15.8 8.9 -31.2 56 60 A E + 0 0 65 1,-0.2 7,-2.7 2,-0.1 8,-0.1 -0.760 35.1 174.2-125.2 77.6 13.3 11.8 -30.9 57 61 A M > + 0 0 60 -2,-0.4 4,-1.7 5,-0.3 -1,-0.2 0.917 11.2 169.6 -56.4 -68.1 15.6 14.6 -31.9 58 62 A E T 4 S+ 0 0 100 1,-0.2 3,-0.4 2,-0.2 -2,-0.1 0.893 83.5 2.2 44.3 100.8 13.9 18.0 -32.3 59 63 A D T 4 S- 0 0 152 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.539 137.3 -56.9 72.8 8.4 16.7 20.6 -32.7 60 64 A G T 4 S+ 0 0 34 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.737 112.6 96.1 97.6 25.2 19.4 18.0 -32.5 61 65 A H S < S- 0 0 122 -4,-1.7 2,-0.8 -3,-0.4 -1,-0.1 -0.845 75.1-121.8-150.3 112.0 18.8 16.1 -29.2 62 66 A a > - 0 0 11 -2,-0.3 3,-0.5 1,-0.2 -5,-0.3 -0.279 32.1-171.8 -52.2 95.0 16.9 12.9 -28.6 63 67 A I T 3 + 0 0 31 -7,-2.7 -1,-0.2 -2,-0.8 -6,-0.1 0.247 59.9 95.8 -76.9 11.9 14.5 14.6 -26.1 64 68 A R T 3 + 0 0 5 -8,-0.1 -20,-0.4 -21,-0.1 -1,-0.2 0.970 68.6 72.6 -67.5 -55.4 13.1 11.2 -25.2 65 69 A T S < S- 0 0 11 -3,-0.5 2,-0.4 -22,-0.2 -22,-0.3 -0.008 70.9-136.0 -61.9 163.1 15.2 10.5 -22.1 66 70 A V B -E 42 0B 12 -24,-2.8 -24,-1.2 -26,-0.2 -26,-0.1 -0.976 39.0 -95.9-119.8 132.8 15.0 12.0 -18.6 67 71 A H >> - 0 0 92 -2,-0.4 4,-2.4 -26,-0.2 3,-0.5 -0.203 27.7-125.0 -55.0 134.6 18.3 13.0 -17.0 68 72 A A H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.890 111.3 57.0 -44.0 -51.8 19.6 10.4 -14.6 69 73 A E H 3> S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.922 111.8 43.0 -48.4 -50.6 19.8 12.9 -11.8 70 74 A M H X> S+ 0 0 26 -3,-0.5 4,-3.4 1,-0.2 3,-0.9 0.967 109.7 53.6 -60.8 -57.5 16.1 13.6 -12.3 71 75 A N H 3X S+ 0 0 18 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.844 106.6 55.1 -47.4 -37.0 15.0 10.0 -12.6 72 76 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.3 0.911 113.7 40.8 -64.3 -40.1 16.7 9.3 -9.4 73 77 A L H S+ 0 0 0 -4,-1.2 5,-1.0 2,-0.2 4,-0.5 0.960 113.8 44.4 -59.7 -51.5 12.1 9.1 -4.7 77 81 A A H ><5S+ 0 0 1 -4,-2.7 3,-2.9 1,-0.2 150,-0.8 0.984 111.1 52.5 -55.1 -64.4 8.9 11.0 -5.3 78 82 A K H 3<5S+ 0 0 59 -4,-3.1 150,-0.7 1,-0.3 -1,-0.2 0.707 116.4 40.2 -44.9 -29.8 7.1 8.1 -6.9 79 83 A E T 3<5S- 0 0 115 -4,-1.5 -1,-0.3 -3,-0.4 147,-0.3 0.327 106.0-120.2-106.5 7.4 7.9 5.8 -4.0 80 84 A G T < 5 + 0 0 18 -3,-2.9 2,-0.5 -4,-0.5 -3,-0.2 0.501 65.5 145.1 68.2 0.5 7.4 8.2 -1.1 81 85 A I < - 0 0 55 -5,-1.0 143,-0.3 -6,-0.3 -1,-0.2 -0.621 50.3-121.2 -77.2 120.7 11.1 7.7 -0.2 82 86 A S - 0 0 25 -2,-0.5 140,-0.2 142,-0.3 139,-0.1 -0.313 25.5-173.3 -66.2 141.5 12.6 10.9 1.1 83 87 A A > + 0 0 0 138,-2.6 3,-0.9 22,-0.2 139,-0.2 0.149 40.9 133.3-116.9 13.8 15.6 12.6 -0.5 84 88 A N T 3 S+ 0 0 31 138,-0.5 22,-0.2 137,-0.4 23,-0.1 -0.459 79.1 1.7 -68.6 137.1 16.0 15.3 2.1 85 89 A N T 3 S+ 0 0 110 21,-1.5 -1,-0.3 -2,-0.2 22,-0.2 0.911 100.5 141.7 51.1 48.6 19.6 15.7 3.3 86 90 A T < - 0 0 5 -3,-0.9 22,-2.7 20,-0.5 23,-0.5 -0.494 46.0-129.3-108.6-176.4 20.9 13.1 0.9 87 91 A E E -Bc 30 109A 38 -57,-3.0 -57,-3.6 20,-0.2 2,-0.4 -0.998 16.9-148.4-136.0 137.5 24.1 12.9 -1.2 88 92 A I E -Bc 29 110A 0 21,-2.7 23,-3.2 -2,-0.4 2,-0.5 -0.853 7.2-162.7-114.7 146.4 24.3 12.2 -4.9 89 93 A Y E +Bc 28 111A 6 -61,-1.9 -61,-2.7 -2,-0.4 2,-0.3 -0.995 21.2 177.9-121.8 124.6 27.0 10.4 -6.9 90 94 A V E -Bc 27 112A 0 21,-1.7 23,-1.0 -2,-0.5 24,-0.3 -0.965 38.5-135.6-133.6 148.0 26.8 11.1 -10.7 91 95 A T E S+ 0 0 2 -65,-1.4 23,-2.4 -2,-0.3 22,-0.6 0.939 99.3 22.1 -63.6 -44.6 28.9 10.1 -13.7 92 96 A H E S- c 0 114A 78 21,-0.2 23,-0.2 20,-0.1 -1,-0.2 -0.953 96.8 -98.0-124.8 143.1 28.7 13.6 -15.0 93 97 A F - 0 0 3 21,-2.1 23,-0.2 -2,-0.4 24,-0.1 -0.344 55.9 -92.8 -60.5 136.8 28.1 16.9 -13.1 94 98 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 28,-0.0 -0.008 31.3-117.9 -50.3 145.1 24.5 18.0 -13.3 95 99 A C > - 0 0 30 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.281 45.6 -91.2 -74.0 173.9 23.2 20.4 -15.9 96 100 A I H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.855 125.3 49.0 -60.9 -35.9 21.8 23.6 -14.5 97 101 A N H > S+ 0 0 98 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.912 112.1 47.2 -70.8 -41.5 18.2 22.4 -14.2 98 102 A C H > S+ 0 0 3 2,-0.2 4,-3.8 1,-0.2 5,-0.2 0.903 109.6 55.7 -64.5 -39.7 19.1 19.1 -12.5 99 103 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.954 110.6 44.3 -55.7 -50.6 21.3 21.1 -10.2 100 104 A K H X S+ 0 0 2 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.981 114.7 48.2 -56.5 -60.2 18.3 23.2 -9.2 101 105 A A H X S+ 0 0 4 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.924 112.8 49.3 -45.5 -54.8 16.1 20.2 -8.9 102 106 A L H X>S+ 0 0 0 -4,-3.8 5,-2.0 2,-0.2 4,-0.8 0.919 114.2 43.3 -54.6 -50.4 18.7 18.4 -6.8 103 107 A L H ><5S+ 0 0 1 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.2 0.938 114.1 50.9 -61.9 -45.5 19.2 21.4 -4.4 104 108 A Q H 3<5S+ 0 0 28 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.5 58.2 -61.0 -28.4 15.5 22.0 -4.2 105 109 A A H 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.723 122.1-109.0 -73.5 -22.4 15.1 18.3 -3.4 106 110 A G T <<5 + 0 0 1 -3,-1.3 -21,-1.5 -4,-0.8 -20,-0.5 0.610 62.9 152.0 104.6 14.8 17.4 18.8 -0.4 107 111 A V < - 0 0 0 -5,-2.0 -1,-0.3 -22,-0.2 -20,-0.2 -0.588 25.8-166.1 -78.7 142.1 20.6 17.0 -1.4 108 112 A K + 0 0 72 -22,-2.7 24,-2.0 -2,-0.2 2,-0.3 0.373 64.0 39.7-111.5 4.1 23.7 18.5 0.2 109 113 A K E -cd 87 132A 52 -23,-0.5 -21,-2.7 22,-0.2 2,-0.5 -0.982 53.3-162.8-155.5 141.3 26.6 17.0 -1.8 110 114 A I E -cd 88 133A 0 22,-2.2 24,-1.5 -2,-0.3 2,-0.9 -0.890 9.7-171.2-127.7 98.3 27.2 16.2 -5.4 111 115 A T E +cd 89 134A 0 -23,-3.2 -21,-1.7 -2,-0.5 24,-0.2 -0.778 17.4 180.0 -94.9 100.1 30.1 13.8 -5.9 112 116 A Y E -cd 90 135A 32 22,-1.9 24,-2.0 -2,-0.9 -21,-0.2 -0.540 30.2-160.5 -99.4 165.1 30.9 13.7 -9.7 113 117 A N E S+ 0 0 31 -23,-1.0 2,-0.3 -22,-0.6 -21,-0.2 0.781 81.0 25.5-105.0 -50.6 33.4 11.8 -11.8 114 118 A T E +c 92 0A 70 -23,-2.4 -21,-2.1 -24,-0.3 -1,-0.3 -0.840 65.5 179.4-117.0 154.6 33.4 13.9 -15.0 115 119 A A - 0 0 37 -2,-0.3 3,-0.1 -23,-0.2 -23,-0.0 -0.894 15.8-167.2-162.1 126.9 32.6 17.6 -15.5 116 120 A Y S S- 0 0 138 -2,-0.3 2,-0.7 -23,-0.2 -1,-0.1 0.675 74.4 -34.8 -76.3-117.8 32.5 20.0 -18.4 117 121 A R - 0 0 186 -24,-0.1 -1,-0.2 0, 0.0 -2,-0.0 -0.902 66.7-130.8-111.9 101.8 32.2 23.6 -17.4 118 122 A I - 0 0 24 -2,-0.7 5,-0.1 1,-0.1 -23,-0.1 -0.286 33.7-107.3 -52.1 126.7 30.0 23.9 -14.3 119 123 A H > - 0 0 44 1,-0.1 4,-1.4 2,-0.1 3,-0.2 -0.253 19.6-127.4 -57.0 141.8 27.5 26.6 -15.0 120 124 A P H > S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.899 112.3 52.2 -57.9 -44.5 28.1 29.9 -13.1 121 125 A F H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.829 102.1 63.0 -62.1 -31.8 24.6 29.9 -11.8 122 126 A A H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.924 108.3 40.0 -58.5 -46.0 25.2 26.4 -10.6 123 127 A I H X S+ 0 0 52 -4,-1.4 4,-3.1 -3,-0.3 5,-0.3 0.907 111.0 56.5 -71.8 -41.8 27.9 27.6 -8.3 124 128 A E H X S+ 0 0 67 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.946 115.4 41.2 -53.1 -45.9 25.9 30.7 -7.3 125 129 A L H X S+ 0 0 1 -4,-3.0 4,-3.3 2,-0.2 5,-0.2 0.976 114.7 46.7 -65.8 -60.3 23.3 28.2 -6.2 126 130 A M H <>S+ 0 0 1 -4,-3.1 5,-2.8 1,-0.2 -1,-0.2 0.857 115.6 51.2 -52.3 -34.9 25.4 25.5 -4.6 127 131 A T H ><5S+ 0 0 91 -4,-3.1 3,-1.8 3,-0.2 -2,-0.2 0.989 115.4 37.8 -66.3 -60.6 27.2 28.4 -2.8 128 132 A Q H 3<5S+ 0 0 69 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.970 120.0 47.3 -54.1 -56.3 24.0 30.1 -1.5 129 133 A K T 3<5S- 0 0 32 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.340 110.2-128.2 -68.9 8.9 22.4 26.7 -0.8 130 134 A E T < 5 + 0 0 168 -3,-1.8 2,-0.4 -5,-0.2 -3,-0.2 0.808 53.0 153.9 44.2 44.0 25.6 25.6 0.9 131 135 A V < - 0 0 6 -5,-2.8 2,-0.3 -6,-0.2 -22,-0.2 -0.805 34.7-140.6 -99.0 138.9 25.9 22.4 -1.1 132 136 A E E -d 109 0A 107 -24,-2.0 -22,-2.2 -2,-0.4 2,-0.4 -0.792 9.4-156.8-103.2 146.6 29.4 21.0 -1.6 133 137 A Y E -d 110 0A 86 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.982 12.6-177.2-124.0 125.8 30.5 19.4 -4.9 134 138 A V E -d 111 0A 47 -24,-1.5 -22,-1.9 -2,-0.4 2,-0.3 -0.938 19.3-137.9-126.8 145.9 33.4 16.9 -5.1 135 139 A Q E +d 112 0A 77 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.735 29.3 161.6 -97.3 145.8 35.2 15.0 -7.9 136 140 A H - 0 0 41 -24,-2.0 2,-0.0 -2,-0.3 -2,-0.0 -0.884 30.5-123.7-164.8 129.7 36.1 11.3 -7.5 137 141 A D - 0 0 105 -2,-0.3 -129,-0.1 1,-0.1 -128,-0.1 -0.300 32.6 -96.2 -79.6 163.8 37.0 8.7 -10.1 138 142 A V - 0 0 41 -130,-0.1 -1,-0.1 -129,-0.1 -133,-0.1 -0.665 45.4-123.0 -77.0 112.5 35.4 5.3 -10.7 139 143 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.258 27.8-107.2 -56.4 141.9 37.5 2.8 -8.8 140 144 A R - 0 0 227 1,-0.0 2,-0.4 -3,-0.0 -131,-0.0 -0.602 47.8-159.4 -71.0 127.5 38.8 0.1 -11.0 141 145 A V - 0 0 78 -2,-0.4 -1,-0.0 1,-0.2 -3,-0.0 -0.914 13.3-139.1-122.9 145.5 36.8 -3.0 -10.1 142 146 A K 0 0 154 -2,-0.4 -1,-0.2 1,-0.2 0, 0.0 0.530 360.0 360.0 -66.8-145.4 37.1 -6.8 -10.5 143 147 A L 0 0 219 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.059 360.0 360.0 -37.8 360.0 34.4 -9.3 -11.4 144 !* 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 0.0 145 5 B L 0 0 168 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.4 -18.2 23.4 -4.8 146 6 B S > - 0 0 53 1,-0.1 4,-3.2 4,-0.0 5,-0.2 -0.285 360.0-114.9 -76.6 162.3 -16.7 20.4 -6.6 147 7 B W H > S+ 0 0 136 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.892 116.6 59.0 -62.6 -40.8 -13.2 19.0 -6.0 148 8 B Q H > S+ 0 0 79 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.910 112.5 40.6 -54.9 -41.9 -12.2 19.9 -9.5 149 9 B D H > S+ 0 0 35 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.956 113.0 52.4 -71.9 -49.6 -13.0 23.5 -8.5 150 10 B Y H X S+ 0 0 99 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.873 118.5 39.5 -53.1 -38.2 -11.5 23.3 -5.1 151 11 B F H X S+ 0 0 0 -4,-3.3 4,-1.6 2,-0.2 -2,-0.2 0.937 115.9 47.6 -78.2 -48.1 -8.4 22.0 -6.6 152 12 B M H X S+ 0 0 0 -4,-3.2 4,-1.4 -5,-0.3 -2,-0.2 0.764 111.4 54.2 -65.0 -24.1 -8.3 24.2 -9.7 153 13 B A H X S+ 0 0 22 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.880 104.8 53.1 -75.5 -39.4 -8.9 27.1 -7.4 154 14 B N H X S+ 0 0 37 -4,-1.2 4,-2.8 -5,-0.3 -2,-0.2 0.838 105.7 54.9 -63.8 -33.3 -6.0 26.2 -5.2 155 15 B A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.954 106.8 48.8 -64.6 -50.4 -3.7 26.2 -8.2 156 16 B E H X S+ 0 0 83 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.842 113.6 49.1 -58.0 -35.9 -4.7 29.7 -9.3 157 17 B L H >< S+ 0 0 100 -4,-1.7 3,-1.3 2,-0.2 4,-0.3 0.964 113.5 43.7 -68.7 -53.2 -4.0 30.8 -5.7 158 18 B I H >< S+ 0 0 35 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.821 105.0 64.4 -61.0 -33.2 -0.6 29.2 -5.4 159 19 B S H >< S+ 0 0 5 -4,-2.8 3,-1.4 1,-0.3 10,-0.3 0.748 91.7 65.6 -63.0 -23.0 0.3 30.4 -8.9 160 20 B K T << S+ 0 0 136 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.698 89.9 65.7 -72.6 -17.7 0.0 33.9 -7.4 161 21 B R T < S+ 0 0 165 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.443 70.8 136.7 -82.1 -0.7 3.0 33.0 -5.2 162 22 B S < - 0 0 4 -3,-1.4 24,-0.2 1,-0.2 6,-0.1 -0.235 48.6-150.8 -49.1 130.3 5.2 32.8 -8.3 163 23 B T S S+ 0 0 18 22,-2.1 32,-1.1 1,-0.2 2,-0.3 0.059 78.8 60.8 -96.1 24.8 8.5 34.5 -7.4 164 24 B C > - 0 0 2 21,-0.4 3,-2.6 3,-0.3 -1,-0.2 -0.798 68.0-152.6-153.5 103.5 9.2 35.6 -11.1 165 25 B N T 3 S+ 0 0 83 1,-0.3 3,-0.2 -2,-0.3 -1,-0.1 0.769 87.5 82.0 -47.3 -34.0 6.7 37.9 -12.9 166 26 B R T 3 S+ 0 0 106 1,-0.2 -1,-0.3 28,-0.0 2,-0.2 0.738 111.3 10.1 -46.3 -23.0 7.8 36.4 -16.3 167 27 B A < - 0 0 41 -3,-2.6 2,-0.7 18,-0.1 -3,-0.3 -0.799 58.8-162.9-166.3 121.0 5.4 33.6 -15.4 168 28 B Y + 0 0 116 -2,-0.2 2,-0.4 -3,-0.2 -9,-0.1 -0.888 33.8 148.6-105.6 107.0 2.7 33.0 -12.8 169 29 B V - 0 0 19 -2,-0.7 16,-1.1 -10,-0.3 2,-0.3 -0.999 22.4-169.5-142.9 138.6 1.8 29.3 -12.6 170 30 B G E -F 184 0C 0 -2,-0.4 65,-2.1 14,-0.2 2,-0.3 -0.903 1.7-166.2-127.1 156.1 0.6 27.0 -9.8 171 31 B A E -FG 183 234C 0 12,-3.4 12,-2.4 -2,-0.3 2,-0.4 -0.999 3.5-163.1-143.7 142.9 0.3 23.3 -9.5 172 32 B V E -FG 182 233C 0 61,-2.4 61,-2.4 -2,-0.3 2,-0.7 -0.993 10.5-148.3-131.3 130.5 -1.5 20.9 -7.0 173 33 B L E -FG 181 232C 0 8,-3.1 7,-3.1 -2,-0.4 8,-1.0 -0.856 21.2-170.0 -99.8 113.3 -0.9 17.2 -6.6 174 34 B V E +FG 179 231C 1 57,-1.8 57,-2.2 -2,-0.7 2,-0.3 -0.801 15.7 175.6-108.7 144.4 -4.0 15.3 -5.5 175 35 B K E > S-F 178 0C 50 3,-1.7 3,-0.9 -2,-0.3 55,-0.1 -0.940 82.0 -5.3-144.1 118.3 -4.4 11.7 -4.2 176 36 B N T 3 S- 0 0 121 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.951 129.3 -60.8 61.0 47.6 -7.8 10.5 -3.1 177 37 B N T 3 S+ 0 0 65 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.726 114.2 126.6 51.2 22.3 -9.1 14.1 -3.5 178 38 B R E < -F 175 0C 131 -3,-0.9 -3,-1.7 0, 0.0 -1,-0.2 -0.945 65.2-125.9-116.3 118.4 -6.5 15.0 -0.9 179 39 B I E +F 174 0C 57 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.398 35.7 167.3 -58.7 128.6 -3.8 17.7 -1.6 180 40 B I E - 0 0 25 -7,-3.1 2,-0.3 1,-0.5 -1,-0.2 0.650 61.2 -1.9-116.8 -28.2 -0.5 16.1 -1.0 181 41 B A E -F 173 0C 2 -8,-1.0 -8,-3.1 46,-0.0 -1,-0.5 -0.980 59.9-165.4-159.9 157.7 1.9 18.6 -2.5 182 42 B T E -F 172 0C 36 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.931 5.0-178.6-144.1 168.3 1.9 22.0 -4.3 183 43 B G E -F 171 0C 4 -12,-2.4 -12,-3.4 -2,-0.3 2,-0.2 -0.982 7.5-173.3-166.9 155.0 4.1 24.2 -6.3 184 44 B Y E -F 170 0C 77 -2,-0.3 2,-1.1 -14,-0.3 -14,-0.2 -0.788 52.4 -64.3-138.3-178.3 4.3 27.5 -8.2 185 45 B N S S+ 0 0 9 -16,-1.1 -22,-2.1 -2,-0.2 -21,-0.4 -0.626 81.6 120.4 -78.5 101.2 6.9 29.2 -10.4 186 46 B G E -J 210 0D 4 24,-1.3 24,-3.5 -2,-1.1 3,-0.1 -0.981 54.2-111.9-156.0 164.2 9.9 29.8 -8.2 187 47 B G E -J 209 0D 13 22,-0.3 22,-0.2 -2,-0.3 4,-0.1 -0.133 61.7 -48.1 -89.4-172.4 13.6 29.1 -7.8 188 48 B V S > S- 0 0 6 20,-0.5 3,-0.8 1,-0.1 -1,-0.2 -0.260 70.5-102.6 -56.4 142.8 15.5 27.0 -5.2 189 49 B A T 3 S+ 0 0 45 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.418 105.8 24.4 -69.6 145.2 14.4 27.8 -1.7 190 50 B D T 3 S+ 0 0 139 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.833 106.0 107.8 68.4 32.8 16.7 30.1 0.4 191 51 B T S < S- 0 0 20 -3,-0.8 -1,-0.3 1,-0.1 -4,-0.1 -0.917 81.1 -84.3-135.1 158.0 18.1 31.4 -2.9 192 52 B D - 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