==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JUN-12 4FG7 . COMPND 2 MOLECULE: CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ZHA,C.ZHONG,Y.OU,J.WANG,L.HAN,J.DING . 250 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 2 0.8 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 1 2 0 0 0 3 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 1 2 1 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 1 0 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 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 9 A R 0 0 153 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.9 148.4 -36.1 39.1 2 10 A W - 0 0 81 1,-0.1 67,-0.1 65,-0.0 65,-0.0 -0.709 360.0 -88.7-102.5 158.4 147.4 -37.7 35.7 3 11 A K E -a 69 0A 111 65,-0.7 67,-3.0 -2,-0.3 2,-0.3 -0.219 37.9-137.6 -59.5 146.2 148.1 -41.1 34.3 4 12 A Q E -a 70 0A 131 65,-0.2 2,-0.4 67,-0.0 67,-0.2 -0.813 17.0-166.4-104.1 151.5 151.3 -41.6 32.3 5 13 A A - 0 0 14 65,-2.6 67,-0.3 -2,-0.3 3,-0.3 -0.999 24.4-151.3-140.3 137.2 151.5 -43.6 29.1 6 14 A E S S- 0 0 191 1,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.940 96.5 -4.5 -71.2 -46.4 154.4 -44.9 27.2 7 15 A D > - 0 0 73 -3,-0.1 3,-1.4 1,-0.1 4,-0.4 -0.949 56.9-152.7-147.3 129.2 152.3 -44.6 24.1 8 16 A I G >> S+ 0 0 7 -2,-0.3 4,-3.3 1,-0.3 3,-0.8 0.714 95.3 74.3 -68.9 -21.7 148.6 -43.6 23.9 9 17 A R G 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.2 5,-0.0 0.657 91.0 58.6 -65.0 -14.2 148.4 -45.7 20.7 10 18 A D G <4 S+ 0 0 114 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.771 116.5 31.5 -80.0 -28.9 148.5 -48.8 23.1 11 19 A I T <4 S+ 0 0 48 -3,-0.8 21,-2.0 -4,-0.4 22,-0.4 0.797 125.0 38.4 -97.4 -39.1 145.4 -47.6 24.9 12 20 A Y E < -B 31 0A 6 -4,-3.3 2,-0.9 19,-0.2 19,-0.2 -0.941 66.7-139.2-123.6 140.0 143.5 -45.9 22.1 13 21 A D E -B 30 0A 67 17,-3.2 17,-1.6 -2,-0.4 2,-0.1 -0.799 29.0-143.3 -96.6 101.9 143.1 -46.6 18.4 14 22 A F E +B 29 0A 67 -2,-0.9 15,-0.2 15,-0.2 3,-0.1 -0.377 29.6 159.1 -70.2 134.4 143.3 -43.3 16.6 15 23 A R E - 0 0 116 13,-3.3 -1,-0.1 1,-0.4 14,-0.1 0.101 46.6 -2.9-116.6-126.2 141.1 -42.6 13.5 16 24 A D E - 0 0 111 11,-0.1 12,-3.2 1,-0.1 2,-0.5 -0.285 66.8-110.1 -69.1 152.6 140.0 -39.3 11.8 17 25 A V E -B 27 0A 80 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.735 27.7-170.0 -79.9 126.2 140.8 -35.8 12.9 18 26 A L E - 0 0 88 8,-3.2 2,-0.3 -2,-0.5 9,-0.2 0.725 60.4 -33.6 -89.2 -23.6 137.5 -34.2 14.2 19 27 A G E -B 26 0A 31 7,-1.4 7,-2.7 2,-0.0 -1,-0.3 -0.965 51.5-129.0 175.4 168.1 138.8 -30.7 14.5 20 28 A T E -B 25 0A 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.901 14.9-166.3-137.6 161.3 141.7 -28.4 15.3 21 29 A G - 0 0 39 3,-2.7 3,-0.2 -2,-0.3 -2,-0.0 -0.814 44.7 -89.5-140.6 174.2 142.3 -25.4 17.5 22 30 A A S S+ 0 0 112 -2,-0.3 -1,-0.0 1,-0.2 3,-0.0 0.912 127.7 8.9 -56.6 -44.6 144.9 -22.7 17.9 23 31 A F S S+ 0 0 122 -3,-0.0 21,-0.7 20,-0.0 2,-0.3 0.064 126.9 58.5-124.0 21.8 146.9 -25.0 20.4 24 32 A S E - C 0 43A 23 -3,-0.2 -3,-2.7 19,-0.2 2,-0.3 -0.953 53.4-152.8-148.1 167.0 145.0 -28.3 20.1 25 33 A E E -BC 20 42A 87 17,-1.7 17,-2.9 -2,-0.3 2,-0.5 -0.969 14.4-147.8-145.9 130.4 143.9 -31.1 17.8 26 34 A V E -BC 19 41A 32 -7,-2.7 -8,-3.2 -2,-0.3 -7,-1.4 -0.864 17.8-172.1-104.7 120.1 140.8 -33.3 18.4 27 35 A I E -BC 17 40A 12 13,-2.4 13,-2.7 -2,-0.5 2,-0.5 -0.883 24.4-126.9-116.8 138.3 141.0 -37.0 17.1 28 36 A L E + C 0 39A 27 -12,-3.2 -13,-3.3 -2,-0.4 2,-0.3 -0.690 43.1 171.4 -75.7 123.1 138.3 -39.7 16.9 29 37 A A E -BC 14 38A 0 9,-2.8 9,-2.6 -2,-0.5 2,-0.5 -0.905 31.4-127.9-134.9 166.3 139.6 -42.7 18.7 30 38 A E E -BC 13 37A 37 -17,-1.6 -17,-3.2 -2,-0.3 2,-0.6 -0.960 23.4-126.8-112.9 126.0 138.5 -46.1 19.9 31 39 A D E > -B 12 0A 18 5,-3.3 4,-2.1 -2,-0.5 -19,-0.2 -0.626 20.8-151.7 -62.2 115.0 139.0 -47.3 23.4 32 40 A K T 4 S+ 0 0 111 -21,-2.0 -1,-0.2 -2,-0.6 -20,-0.1 0.822 90.8 42.4 -64.6 -31.9 140.9 -50.7 22.8 33 41 A R T 4 S+ 0 0 235 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.928 127.9 24.9 -77.3 -51.9 139.5 -52.2 26.0 34 42 A T T 4 S- 0 0 89 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.619 92.9-135.4 -94.2 -14.2 135.9 -51.1 26.1 35 43 A Q < + 0 0 146 -4,-2.1 2,-0.2 1,-0.3 -3,-0.1 0.549 57.1 139.2 67.9 10.2 135.5 -50.6 22.3 36 44 A K - 0 0 97 -5,-0.1 -5,-3.3 -6,-0.1 2,-0.4 -0.516 55.4-116.3 -79.6 151.1 133.7 -47.3 22.8 37 45 A L E +C 30 0A 83 -7,-0.2 44,-0.5 -2,-0.2 2,-0.3 -0.733 37.7 175.9 -89.1 136.0 134.4 -44.3 20.7 38 46 A V E -C 29 0A 2 -9,-2.6 -9,-2.8 -2,-0.4 2,-0.5 -0.866 29.8-124.0-133.2 166.1 135.9 -41.2 22.4 39 47 A A E -CD 28 79A 8 40,-2.9 40,-2.9 -2,-0.3 2,-0.7 -0.975 25.4-156.5-115.2 118.9 137.2 -37.7 21.3 40 48 A I E -CD 27 78A 0 -13,-2.7 -13,-2.4 -2,-0.5 2,-0.7 -0.884 4.7-153.0-106.6 114.6 140.8 -37.0 22.4 41 49 A K E -CD 26 77A 22 36,-2.4 36,-2.8 -2,-0.7 2,-0.5 -0.784 15.6-159.1 -81.1 114.6 141.9 -33.5 22.7 42 50 A C E -CD 25 76A 20 -17,-2.9 -17,-1.7 -2,-0.7 2,-0.4 -0.871 10.1-175.6 -99.1 122.4 145.6 -33.4 22.1 43 51 A I E CD 24 75A 5 32,-2.6 32,-2.1 -2,-0.5 -19,-0.2 -0.979 360.0 360.0-119.2 133.5 147.6 -30.4 23.5 44 52 A A 0 0 96 -21,-0.7 30,-0.2 -2,-0.4 29,-0.1 -0.459 360.0 360.0 -67.3 360.0 151.3 -29.9 22.9 45 ! 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 46 62 A S > 0 0 105 0, 0.0 4,-2.6 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 -52.6 145.3 -22.4 32.3 47 63 A M H > + 0 0 81 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.802 360.0 47.9 -67.4 -32.1 145.2 -26.0 31.0 48 64 A E H > S+ 0 0 151 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.793 110.3 51.6 -76.9 -32.9 145.3 -27.0 34.7 49 65 A N H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.963 109.4 50.9 -60.8 -53.5 142.6 -24.5 35.4 50 66 A E H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.857 111.4 46.8 -51.5 -45.0 140.6 -26.1 32.6 51 67 A I H X S+ 0 0 14 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.941 108.7 53.3 -67.5 -46.1 141.0 -29.6 34.0 52 68 A A H X S+ 0 0 40 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.865 111.0 49.3 -56.0 -40.0 140.1 -28.7 37.6 53 69 A V H >X S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 4,-0.6 0.936 106.9 52.9 -65.7 -49.5 136.9 -27.2 36.2 54 70 A L H 3< S+ 0 0 15 -4,-2.0 3,-0.5 1,-0.3 11,-0.4 0.733 101.8 61.6 -61.4 -24.8 136.0 -30.2 34.1 55 71 A H H 3< S+ 0 0 122 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.664 103.4 49.8 -76.8 -20.9 136.3 -32.5 37.2 56 72 A K H << S+ 0 0 115 -3,-1.5 2,-0.4 -4,-0.6 -1,-0.2 0.589 97.5 93.3 -83.8 -14.4 133.6 -30.6 39.0 57 73 A I < + 0 0 19 -4,-0.6 8,-0.3 -3,-0.5 2,-0.2 -0.682 33.8 154.3 -98.4 133.3 131.2 -30.9 36.0 58 74 A K + 0 0 180 -2,-0.4 5,-0.1 6,-0.1 -3,-0.0 -0.677 23.9 135.2-152.4 96.0 128.5 -33.5 35.3 59 75 A H > - 0 0 26 3,-0.4 3,-1.8 -2,-0.2 53,-0.0 -0.999 56.5-127.0-145.5 142.3 125.6 -32.3 33.1 60 76 A P T 3 S+ 0 0 78 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.745 111.6 48.3 -62.0 -25.6 123.8 -33.8 30.1 61 77 A N T 3 S+ 0 0 17 47,-0.1 83,-2.1 82,-0.1 2,-0.4 -0.002 99.5 78.3-107.3 28.1 124.4 -30.7 28.0 62 78 A I B < S-f 144 0B 2 -3,-1.8 -3,-0.4 81,-0.3 2,-0.2 -0.998 86.8-110.7-134.0 132.8 128.1 -30.3 28.8 63 79 A V - 0 0 9 81,-2.4 2,-0.2 -2,-0.4 -2,-0.1 -0.391 40.4-135.3 -60.5 123.4 130.9 -32.3 27.1 64 80 A A - 0 0 35 -2,-0.2 16,-2.6 -4,-0.1 2,-0.7 -0.507 3.2-136.6 -84.5 150.7 132.4 -34.6 29.8 65 81 A L E - E 0 79A 21 -11,-0.4 14,-0.2 -8,-0.3 3,-0.1 -0.935 19.4-177.9-102.8 116.0 136.1 -35.3 30.5 66 82 A D E - 0 0 72 12,-2.7 2,-0.2 -2,-0.7 13,-0.2 0.855 58.6 -46.1 -85.6 -40.4 136.4 -39.0 31.0 67 83 A D E - E 0 78A 36 11,-1.3 11,-3.3 2,-0.0 2,-0.3 -0.938 49.2-118.2-173.9-176.0 140.2 -39.0 31.8 68 84 A I E - E 0 77A 9 -2,-0.2 -65,-0.7 9,-0.2 2,-0.4 -0.950 13.6-162.3-135.8 145.9 143.7 -37.7 30.9 69 85 A Y E -aE 3 76A 25 7,-1.7 7,-1.9 -2,-0.3 2,-0.5 -0.999 10.2-149.6-131.7 135.6 147.0 -39.2 29.8 70 86 A E E +aE 4 75A 41 -67,-3.0 -65,-2.6 -2,-0.4 2,-0.3 -0.903 30.7 157.4 -97.1 125.8 150.4 -37.8 29.8 71 87 A S E > - E 0 74A 9 3,-1.7 3,-1.2 -2,-0.5 -65,-0.1 -0.867 64.7 -17.9-154.5 114.6 152.6 -39.2 27.0 72 88 A G T 3 S- 0 0 65 -2,-0.3 3,-0.1 -67,-0.3 -66,-0.0 0.878 121.6 -52.5 60.6 48.8 155.7 -37.6 25.5 73 89 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 -29,-0.1 -1,-0.3 0.436 115.9 110.0 71.2 -0.9 155.2 -34.0 26.7 74 90 A H E < - E 0 71A 79 -3,-1.2 -3,-1.7 -30,-0.2 2,-0.4 -0.900 62.0-138.5-110.6 132.9 151.6 -34.0 25.2 75 91 A L E -DE 43 70A 19 -32,-2.1 -32,-2.6 -2,-0.4 2,-0.5 -0.727 12.6-161.9 -86.5 138.2 148.4 -34.0 27.2 76 92 A Y E -DE 42 69A 31 -7,-1.9 -7,-1.7 -2,-0.4 2,-0.7 -0.920 1.1-162.4-125.0 102.7 145.6 -36.2 25.9 77 93 A L E -DE 41 68A 7 -36,-2.8 -36,-2.4 -2,-0.5 2,-0.7 -0.772 12.2-148.0 -85.1 111.0 142.1 -35.2 27.3 78 94 A I E -DE 40 67A 0 -11,-3.3 -12,-2.7 -2,-0.7 -11,-1.3 -0.733 30.6-179.3 -86.9 116.3 139.8 -38.2 26.7 79 95 A M E -DE 39 65A 27 -40,-2.9 -40,-2.9 -2,-0.7 -14,-0.2 -0.806 35.0 -89.6-128.1 155.1 136.5 -36.7 26.2 80 96 A Q - 0 0 49 -16,-2.6 2,-0.3 -2,-0.3 -42,-0.1 -0.357 50.6-119.7 -60.0 129.2 132.9 -37.6 25.5 81 97 A L - 0 0 42 -44,-0.5 2,-0.4 -2,-0.1 -1,-0.1 -0.578 29.6-175.6 -74.5 129.7 132.3 -37.8 21.7 82 98 A V - 0 0 22 -2,-0.3 53,-0.2 1,-0.1 52,-0.2 -0.979 5.9-174.6-119.9 141.0 129.8 -35.5 20.1 83 99 A S + 0 0 64 51,-2.2 52,-0.2 -2,-0.4 51,-0.2 0.358 60.6 86.8-121.8 8.7 129.1 -36.0 16.4 84 100 A G S S- 0 0 5 49,-2.0 50,-0.2 1,-0.2 51,-0.2 0.470 81.7-134.8 -92.2 -3.2 126.8 -33.1 15.5 85 101 A G - 0 0 38 48,-0.4 48,-3.1 -3,-0.2 2,-0.2 -0.078 43.6 -41.8 71.7-177.1 129.4 -30.5 14.7 86 102 A E B >> -G 132 0B 63 46,-0.2 4,-1.4 1,-0.1 3,-0.6 -0.542 41.5-124.2 -93.2 153.8 129.1 -27.0 15.9 87 103 A L H 3> S+ 0 0 0 44,-3.1 4,-2.0 41,-0.8 5,-0.2 0.869 108.1 67.6 -53.7 -39.1 126.1 -24.7 16.1 88 104 A F H >> S+ 0 0 85 40,-1.2 4,-1.5 43,-0.3 3,-0.5 0.918 101.0 47.7 -47.8 -50.9 128.0 -22.1 14.0 89 105 A D H <> S+ 0 0 84 -3,-0.6 4,-3.0 1,-0.2 -1,-0.2 0.913 110.0 51.1 -59.6 -44.8 127.8 -24.4 11.0 90 106 A R H 3< S+ 0 0 44 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.730 105.2 56.1 -73.1 -18.3 124.2 -25.2 11.4 91 107 A I H XX S+ 0 0 13 -4,-2.0 4,-2.6 -3,-0.5 3,-0.9 0.888 111.9 45.0 -70.9 -36.2 123.3 -21.5 11.5 92 108 A V H 3< S+ 0 0 104 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.928 110.5 51.5 -71.7 -46.9 125.1 -21.2 8.2 93 109 A E T 3< S+ 0 0 174 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.1 0.146 124.7 29.7 -78.8 24.2 123.5 -24.2 6.6 94 110 A K T <4 S- 0 0 105 -3,-0.9 2,-1.3 -5,-0.1 -2,-0.2 0.413 90.6-136.8-153.1 -27.2 120.0 -22.8 7.7 95 111 A G S < S- 0 0 38 -4,-2.6 2,-0.3 -5,-0.1 -4,-0.1 -0.452 75.1 -10.7 93.8 -64.1 120.2 -19.0 7.7 96 112 A F S S- 0 0 121 -2,-1.3 2,-0.3 -6,-0.1 92,-0.2 -0.957 70.4-111.3-160.0 164.9 118.4 -18.5 11.0 97 113 A Y - 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0 0 84 -33,-2.9 -1,-0.1 -2,-0.3 -32,-0.0 -0.149 31.4-131.4 -58.0 150.9 134.9 -18.2 41.9 154 170 A D 0 0 145 1,-0.2 -1,-0.1 0, 0.0 -34,-0.0 -0.623 360.0 360.0 -95.1 158.3 136.9 -17.2 44.9 155 171 A P 0 0 180 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.990 360.0 360.0 -48.1 360.0 136.0 -17.2 48.6 156 ! 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 0.0 157 180 A G 0 0 75 0, 0.0 -32,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 148.4 137.8 -13.7 24.2 158 181 A T >> - 0 0 43 1,-0.1 3,-1.8 3,-0.1 4,-0.7 -0.549 360.0-120.9 -71.0 118.4 136.1 -13.4 20.8 159 182 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.217 97.1 40.2 -57.9 141.2 134.8 -9.9 20.0 160 183 A G T 34 S+ 0 0 10 2,-0.3 34,-0.1 42,-0.1 -2,-0.0 -0.229 118.1 49.9 114.7 -42.6 131.1 -9.8 19.4 161 184 A Y T <4 S+ 0 0 28 -3,-1.8 2,-0.3 2,-0.1 -35,-0.1 0.482 87.6 95.9-107.1 -7.5 130.3 -12.2 22.1 162 185 A V S < S- 0 0 11 -4,-0.7 -2,-0.3 -5,-0.1 14,-0.1 -0.675 78.9-107.2 -91.7 144.0 132.3 -10.6 25.0 163 186 A A >> - 0 0 0 -2,-0.3 3,-1.8 12,-0.1 4,-1.1 -0.344 24.0-116.4 -72.2 141.8 130.6 -8.3 27.5 164 187 A P H >> S+ 0 0 6 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.853 115.3 53.8 -42.1 -50.4 131.3 -4.5 27.5 165 188 A E H 3> S+ 0 0 56 70,-0.2 4,-0.8 1,-0.2 5,-0.1 0.774 101.9 59.7 -59.7 -27.5 132.9 -4.6 31.0 166 189 A V H <4 S+ 0 0 29 -3,-1.8 -1,-0.2 1,-0.2 3,-0.1 0.844 109.1 44.5 -67.1 -34.3 135.3 -7.4 29.8 167 190 A L H << S+ 0 0 36 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.787 101.3 63.7 -83.2 -30.8 136.6 -5.0 27.2 168 191 A A H < S- 0 0 74 -4,-1.6 -1,-0.2 39,-0.1 -2,-0.2 0.780 130.6 -14.4 -63.0 -23.7 136.9 -1.9 29.4 169 192 A Q < 0 0 178 -4,-0.8 -3,-0.1 -3,-0.1 -4,-0.0 -0.133 360.0 360.0-141.0-124.1 139.5 -3.9 31.3 170 193 A K 0 0 116 -5,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.445 360.0 360.0-139.6 360.0 140.6 -7.6 31.5 171 ! 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 0.0 172 196 A S > 0 0 97 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 143.8 131.7 -12.8 37.2 173 197 A K T >> + 0 0 84 1,-0.3 4,-1.2 2,-0.2 3,-0.7 0.735 360.0 72.1 -62.6 -26.2 128.6 -14.7 36.2 174 198 A A H 3> S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.817 85.5 70.9 -57.9 -31.4 127.0 -11.7 34.3 175 199 A V H <> S+ 0 0 13 -3,-1.5 4,-1.6 1,-0.2 3,-0.3 0.906 98.7 44.9 -50.9 -49.9 129.7 -12.3 31.6 176 200 A D H <> S+ 0 0 0 -3,-0.7 4,-2.1 -4,-0.4 -1,-0.2 0.879 107.2 59.1 -67.9 -37.0 128.1 -15.6 30.3 177 201 A C H X S+ 0 0 2 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.855 103.7 52.0 -63.7 -31.3 124.5 -14.1 30.4 178 202 A W H >X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.3 3,-0.8 0.975 108.3 51.0 -63.5 -55.5 125.6 -11.4 27.9 179 203 A S H 3X S+ 0 0 4 -4,-1.6 4,-2.1 1,-0.3 -2,-0.2 0.820 106.5 54.4 -49.0 -40.6 127.0 -14.0 25.5 180 204 A I H 3X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.865 106.4 52.1 -68.9 -32.6 123.8 -16.0 25.6 181 205 A G H S- 0 0 86 1,-0.1 4,-2.9 -3,-0.1 3,-0.2 -0.731 70.8-155.2 -79.5 114.5 136.7 -1.2 11.2 199 223 A D H > S+ 0 0 124 -2,-0.6 4,-2.7 1,-0.2 -1,-0.1 0.845 95.0 52.8 -52.6 -43.2 137.8 -3.2 14.2 200 224 A A H > S+ 0 0 70 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.863 112.0 45.8 -66.6 -36.6 138.3 -0.1 16.3 201 225 A K H >> S+ 0 0 131 2,-0.2 4,-2.0 -3,-0.2 3,-0.8 0.931 111.9 51.2 -68.9 -48.1 134.7 1.0 15.5 202 226 A L H >X S+ 0 0 28 -4,-2.9 4,-1.9 1,-0.3 3,-0.5 0.938 108.5 52.3 -48.5 -51.7 133.4 -2.5 16.2 203 227 A F H 3X S+ 0 0 88 -4,-2.7 4,-1.3 1,-0.3 -1,-0.3 0.718 108.5 51.6 -61.5 -24.3 135.2 -2.4 19.5 204 228 A E H S+ 0 0 55 -4,-2.0 5,-2.0 -3,-0.5 4,-0.5 0.919 110.3 43.7 -66.6 -44.9 130.1 -0.5 19.5 206 230 A I H <5S+ 0 0 1 -4,-1.9 3,-0.2 3,-0.2 -1,-0.2 0.876 112.3 52.8 -67.9 -40.6 130.4 -3.3 22.0 207 231 A L H <5S+ 0 0 42 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.900 114.2 41.7 -60.4 -45.2 131.8 -1.0 24.7 208 232 A K H <5S- 0 0 116 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.574 106.7-136.3 -78.8 -9.7 129.0 1.4 24.4 209 233 A A T <5 + 0 0 16 -4,-0.5 2,-0.7 -3,-0.2 -3,-0.2 0.886 44.2 160.7 53.4 46.7 126.7 -1.6 24.1 210 234 A E < + 0 0 156 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.853 4.5 142.1-103.9 110.2 124.7 -0.0 21.3 211 235 A Y - 0 0 33 -2,-0.7 2,-0.3 -17,-0.1 -17,-0.1 -0.934 27.6-154.4-139.4 165.5 122.7 -2.5 19.2 212 236 A E - 0 0 136 -2,-0.3 2,-1.5 -19,-0.3 -2,-0.0 -0.997 27.1-128.7-144.6 145.7 119.3 -2.4 17.5 213 237 A F - 0 0 25 -2,-0.3 2,-0.1 5,-0.1 5,-0.1 -0.765 50.5-153.4 -86.3 84.6 116.6 -4.8 16.4 214 238 A D > - 0 0 42 -2,-1.5 4,-1.9 1,-0.1 5,-0.2 -0.393 15.0 -86.7 -74.5 139.9 116.7 -3.2 13.0 215 239 A S T 4 S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 -0.652 100.7 17.8 -81.3 142.9 113.7 -3.1 10.6 216 240 A P T >4 S+ 0 0 80 0, 0.0 3,-1.1 0, 0.0 4,-0.4 -0.998 122.4 54.3 -91.5 -3.2 112.7 -5.0 8.5 217 241 A Y T 34 S+ 0 0 149 1,-0.3 3,-0.2 2,-0.1 -2,-0.2 0.826 119.2 35.8 -60.4 -32.6 114.6 -8.1 9.8 218 242 A W T >< S+ 0 0 1 -4,-1.9 3,-0.9 1,-0.2 -1,-0.3 0.401 87.5 107.2-102.6 -2.1 113.3 -7.8 13.3 219 243 A D T < S+ 0 0 82 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.845 90.0 26.2 -41.6 -54.1 109.8 -6.6 12.3 220 244 A D T 3 S+ 0 0 150 -4,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.338 87.8 114.4-108.1 5.3 107.9 -9.8 13.1 221 245 A I S < S- 0 0 30 -3,-0.9 5,-0.1 1,-0.1 -3,-0.0 -0.624 82.1 -95.1 -68.3 134.5 110.2 -11.3 15.8 222 246 A S > - 0 0 39 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.171 16.5-126.7 -59.3 140.7 108.0 -11.2 18.9 223 247 A D H > S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.835 113.5 58.2 -47.0 -36.1 108.2 -8.4 21.5 224 248 A S H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 27,-0.2 0.922 103.8 48.7 -68.2 -44.8 108.8 -11.1 24.0 225 249 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.930 114.8 47.0 -56.1 -45.4 111.9 -12.5 22.2 226 250 A K H X S+ 0 0 36 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.859 110.6 50.6 -66.8 -37.9 113.2 -8.9 22.0 227 251 A D H X S+ 0 0 68 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.899 109.9 52.2 -67.8 -38.6 112.5 -8.2 25.7 228 252 A F H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.942 111.8 45.2 -58.7 -51.8 114.3 -11.4 26.5 229 253 A I H >X S+ 0 0 0 -4,-2.5 4,-3.7 1,-0.2 3,-0.6 0.891 109.4 54.7 -62.1 -41.1 117.4 -10.3 24.5 230 254 A R H 3< S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.875 106.8 52.6 -60.0 -37.5 117.4 -6.7 26.0 231 255 A H H 3< S+ 0 0 68 -4,-1.7 10,-3.0 -3,-0.2 3,-0.3 0.689 117.9 35.3 -76.6 -21.9 117.5 -8.2 29.5 232 256 A L H << S+ 0 0 0 -4,-0.9 2,-1.8 -3,-0.6 -2,-0.2 0.841 115.6 55.2 -90.1 -51.2 120.5 -10.4 28.8 233 257 A M S < S+ 0 0 2 -4,-3.7 2,-0.5 -5,-0.2 -1,-0.2 -0.294 82.8 142.2 -74.7 53.0 122.1 -7.9 26.5 234 258 A E - 0 0 61 -2,-1.8 6,-0.2 -3,-0.3 -3,-0.1 -0.863 51.1-142.9-102.3 128.4 122.0 -5.3 29.2 235 259 A K S S+ 0 0 111 -2,-0.5 -70,-0.2 -26,-0.2 -1,-0.1 0.870 83.8 72.9 -55.2 -47.1 124.9 -2.9 29.6 236 260 A D > - 0 0 65 1,-0.2 4,-1.9 -72,-0.1 -2,-0.1 -0.617 68.7-154.9 -79.7 119.5 124.8 -2.8 33.4 237 261 A P T 4 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.790 95.5 55.8 -64.0 -28.3 126.1 -6.0 34.9 238 262 A E T 4 S+ 0 0 177 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.939 114.2 37.6 -66.6 -47.8 124.0 -5.3 38.1 239 263 A K T 4 S+ 0 0 157 2,-0.1 -1,-0.2 -5,-0.0 -4,-0.1 0.685 93.7 115.2 -76.3 -21.1 120.7 -5.0 36.1 240 264 A R S < S- 0 0 6 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.209 75.0-103.1 -55.5 136.9 121.7 -7.8 33.7 241 265 A F - 0 0 29 -10,-3.0 2,-0.2 -13,-0.1 -1,-0.1 -0.293 29.4-141.1 -57.4 139.4 119.6 -11.0 33.8 242 266 A T > - 0 0 69 1,-0.1 4,-1.9 -65,-0.0 5,-0.2 -0.452 33.9 -99.3 -87.0 171.4 120.9 -14.1 35.5 243 267 A C H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -129,-0.1 0.826 125.5 55.2 -59.8 -31.3 120.4 -17.5 34.1 244 268 A E H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.933 108.3 45.1 -67.9 -44.8 117.5 -17.9 36.6 245 269 A Q H > S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.851 114.1 50.5 -68.7 -31.2 115.7 -14.8 35.5 246 270 A A H < S+ 0 0 0 -4,-1.9 6,-0.3 2,-0.2 -1,-0.2 0.805 107.9 52.6 -76.3 -33.3 116.2 -15.8 31.8 247 271 A L H < S+ 0 0 20 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.781 109.6 50.2 -68.2 -30.8 114.8 -19.3 32.5 248 272 A Q H < S+ 0 0 123 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.835 84.2 108.6 -74.5 -38.2 111.8 -17.7 34.1 249 273 A H S >X S- 0 0 13 -4,-1.4 4,-2.3 1,-0.1 3,-1.9 -0.082 78.5-123.8 -49.1 134.6 111.2 -15.3 31.1 250 274 A P T 34 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.742 107.4 67.0 -58.2 -23.8 108.0 -16.4 29.1 251 275 A W T 34 S+ 0 0 26 -27,-0.2 -26,-0.1 1,-0.2 -2,-0.1 0.827 116.1 28.7 -65.5 -27.6 110.0 -16.7 25.9 252 276 A I T <4 0 0 16 -3,-1.9 -1,-0.2 -6,-0.3 -5,-0.1 0.842 360.0 360.0 -95.2 -48.0 111.9 -19.6 27.5 253 277 A A < 0 0 102 -4,-2.3 -2,-0.2 -5,-0.2 -4,-0.1 0.845 360.0 360.0 -70.3 360.0 109.3 -21.0 29.9