==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-DEC-10 3PY1 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,E.SCHONBRUNN . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 0 1 0 1 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 2 0 1 1 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 0 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 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 -3 A S 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.8 -92.3 -109.2 44.4 2 -2 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 72,-0.1 -0.169 360.0-141.7 -54.8 139.5 -93.4 -105.9 42.8 3 -1 A E - 0 0 32 70,-0.3 2,-0.4 2,-0.0 70,-0.0 -0.695 10.2-153.0 -99.4 156.1 -90.8 -103.1 42.8 4 0 A F > - 0 0 114 -2,-0.3 3,-2.8 70,-0.1 4,-0.2 -0.960 27.6-116.8-128.4 147.3 -91.8 -99.5 43.4 5 1 A M G > S+ 0 0 33 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.751 112.8 68.4 -56.3 -21.5 -89.9 -96.5 42.1 6 2 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.610 89.6 65.9 -73.0 -8.3 -89.1 -95.5 45.7 7 3 A N G < S+ 0 0 37 -3,-2.8 21,-2.2 20,-0.1 22,-0.5 0.445 91.4 77.8 -89.1 -1.4 -86.9 -98.6 45.8 8 4 A F E < -A 27 0A 17 -3,-1.5 2,-0.5 19,-0.2 19,-0.2 -0.938 64.1-154.5-118.2 131.6 -84.5 -97.0 43.2 9 5 A Q E -A 26 0A 109 17,-2.8 17,-2.5 -2,-0.4 2,-0.1 -0.871 23.5-123.9-101.6 126.8 -81.9 -94.4 43.7 10 6 A K E +A 25 0A 135 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.477 31.1 174.0 -68.2 138.9 -80.9 -92.2 40.8 11 7 A V E - 0 0 57 13,-2.6 2,-0.3 1,-0.3 14,-0.2 0.762 57.0 -46.1-107.9 -59.4 -77.2 -92.4 40.1 12 8 A E E -A 24 0A 120 12,-1.2 12,-3.1 0, 0.0 -1,-0.3 -0.961 55.9 -89.5-171.4 158.2 -76.7 -90.4 36.8 13 9 A K E +A 23 0A 125 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.583 38.7 173.5 -75.5 136.5 -78.2 -89.9 33.3 14 10 A I E + 0 0 28 8,-2.8 2,-0.3 1,-0.3 9,-0.2 0.517 56.1 11.9-123.2 -10.1 -76.4 -92.3 30.9 15 11 A G E -A 22 0A 21 7,-1.5 7,-3.0 2,-0.0 2,-0.5 -0.998 49.5-137.3-164.0 164.6 -78.4 -91.8 27.8 16 12 A E E +A 21 0A 114 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.961 40.2 168.0-127.5 106.5 -80.9 -89.9 25.7 17 13 A G E > -A 20 0A 6 3,-3.8 3,-2.3 -2,-0.5 148,-0.2 -0.425 54.3 -74.5-111.0-171.4 -83.2 -92.3 23.9 18 14 A T T 3 S+ 0 0 19 1,-0.3 142,-0.5 -2,-0.1 3,-0.1 0.800 133.1 44.3 -53.0 -34.3 -86.4 -92.1 21.9 19 15 A Y T 3 S- 0 0 41 1,-0.3 -1,-0.3 140,-0.1 2,-0.2 -0.006 122.0-101.9-102.5 26.7 -88.3 -91.6 25.2 20 16 A G E < S+A 17 0A 11 -3,-2.3 -3,-3.8 140,-0.3 -1,-0.3 -0.594 78.2 11.0 94.8-154.1 -86.0 -89.1 26.7 21 17 A V E -A 16 0A 53 -5,-0.3 17,-0.6 -2,-0.2 2,-0.5 -0.278 57.1-150.7 -66.4 144.1 -83.3 -89.6 29.3 22 18 A V E -AB 15 37A 36 -7,-3.0 -8,-2.8 15,-0.1 -7,-1.5 -0.973 18.9-149.9-114.3 129.5 -82.2 -93.1 30.4 23 19 A Y E -AB 13 36A 57 13,-2.0 13,-2.9 -2,-0.5 2,-0.5 -0.812 14.0-138.9-107.8 146.1 -81.0 -93.3 34.0 24 20 A K E +AB 12 35A 46 -12,-3.1 -13,-2.6 -2,-0.3 -12,-1.2 -0.828 40.5 174.3 -91.1 135.9 -78.4 -95.5 35.8 25 21 A A E -AB 10 34A 0 9,-2.6 9,-2.7 -2,-0.5 2,-0.5 -0.931 29.4-129.1-141.9 166.7 -80.0 -96.3 39.1 26 22 A R E -AB 9 33A 110 -17,-2.5 -17,-2.8 -2,-0.3 2,-1.0 -0.975 19.6-129.7-125.4 123.3 -79.4 -98.4 42.2 27 23 A N E > -A 8 0A 11 5,-2.8 4,-3.3 -2,-0.5 5,-0.3 -0.593 19.4-149.3 -69.2 103.1 -82.0 -100.7 43.7 28 24 A K T 4 S+ 0 0 104 -21,-2.2 -1,-0.2 -2,-1.0 -20,-0.1 0.697 91.8 51.9 -47.4 -23.6 -81.7 -99.6 47.3 29 25 A L T 4 S+ 0 0 118 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.966 123.5 19.0 -81.9 -59.9 -82.6 -103.1 48.4 30 26 A T T 4 S- 0 0 101 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.653 94.2-127.4 -87.6 -16.4 -80.2 -105.4 46.5 31 27 A G < + 0 0 37 -4,-3.3 2,-0.2 1,-0.3 -3,-0.1 0.464 59.3 148.3 81.8 1.2 -77.6 -102.7 45.8 32 28 A E - 0 0 96 -5,-0.3 -5,-2.8 -6,-0.1 -1,-0.3 -0.468 45.5-131.3 -72.6 133.6 -77.8 -103.7 42.1 33 29 A V E +B 26 0A 45 -7,-0.2 53,-0.6 -2,-0.2 2,-0.3 -0.647 34.4 169.4 -86.4 144.3 -77.3 -101.1 39.4 34 30 A V E -BC 25 85A 0 -9,-2.7 -9,-2.6 -2,-0.3 2,-0.4 -0.853 33.0-113.0-143.1 174.3 -79.8 -100.9 36.6 35 31 A A E -BC 24 84A 11 49,-2.3 49,-3.3 -2,-0.3 2,-0.5 -0.967 28.0-151.8-117.1 137.4 -80.9 -98.7 33.7 36 32 A L E -BC 23 83A 17 -13,-2.9 -13,-2.0 -2,-0.4 2,-0.5 -0.933 11.3-170.9-118.3 129.8 -84.3 -97.0 33.8 37 33 A K E -BC 22 82A 34 45,-2.1 45,-3.0 -2,-0.5 2,-0.5 -0.971 14.6-155.7-114.5 123.4 -86.5 -96.0 30.8 38 34 A K E - C 0 81A 69 -17,-0.6 2,-0.5 -2,-0.5 43,-0.2 -0.886 7.9-170.0-105.3 132.5 -89.5 -93.8 31.7 39 35 A I E - C 0 80A 7 41,-3.4 41,-1.7 -2,-0.5 2,-0.5 -0.964 13.4-145.6-126.1 118.3 -92.5 -93.7 29.5 40 36 A R E - C 0 79A 136 -2,-0.5 118,-2.4 118,-0.3 2,-0.4 -0.680 17.2-147.0 -83.9 125.3 -95.3 -91.1 30.0 41 37 A L - 0 0 37 37,-3.4 2,-0.6 -2,-0.5 116,-0.1 -0.749 7.3-157.5 -95.3 139.1 -98.7 -92.5 29.2 42 38 A D - 0 0 83 -2,-0.4 2,-2.3 5,-0.1 5,-0.3 -0.680 8.2-173.5-116.5 76.2 -101.5 -90.3 27.7 43 39 A T + 0 0 85 -2,-0.6 5,-0.1 1,-0.1 -2,-0.0 -0.455 46.3 110.4 -70.2 78.7 -104.7 -92.1 28.6 44 40 A E + 0 0 126 -2,-2.3 -1,-0.1 3,-0.3 4,-0.1 0.528 62.4 34.0-113.9-103.1 -107.0 -89.8 26.5 45 41 A T S S- 0 0 116 1,-0.2 -2,-0.1 -3,-0.2 3,-0.1 0.710 142.9 -32.6 -28.0 -46.4 -108.9 -90.5 23.3 46 42 A E S S- 0 0 182 1,-0.3 2,-0.4 3,-0.0 -1,-0.2 0.355 93.4-105.5-157.6 -16.2 -109.6 -94.1 24.4 47 43 A G S S+ 0 0 21 -5,-0.3 -3,-0.3 2,-0.0 -1,-0.3 -0.942 76.9 1.1 120.6-141.2 -106.6 -95.2 26.4 48 44 A V S S- 0 0 81 -2,-0.4 2,-0.3 -5,-0.1 109,-0.1 -0.785 73.1-126.9 -91.7 122.1 -103.8 -97.6 25.4 49 45 A P > - 0 0 36 0, 0.0 4,-1.7 0, 0.0 3,-0.3 -0.507 4.1-142.6 -71.6 125.9 -104.1 -98.9 21.8 50 46 A S H > S+ 0 0 104 -2,-0.3 4,-2.2 1,-0.2 -2,-0.0 0.872 98.9 64.3 -52.5 -41.5 -103.9 -102.7 21.5 51 47 A T H >> S+ 0 0 64 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.940 102.9 45.4 -48.5 -57.2 -101.9 -102.3 18.2 52 48 A A H 3> S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.911 111.2 54.4 -54.8 -43.6 -99.0 -100.7 20.0 53 49 A I H 3X S+ 0 0 66 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.826 101.7 59.3 -62.3 -31.5 -99.2 -103.4 22.7 54 50 A R H < S+ 0 0 43 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.928 107.9 55.1 -64.1 -43.6 -90.4 -107.4 21.7 60 56 A K H 3< S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 104.5 54.3 -57.0 -36.0 -91.1 -108.8 25.2 61 57 A E H 3< S+ 0 0 144 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.735 82.3 111.4 -73.1 -24.5 -90.8 -112.3 23.8 62 58 A L << + 0 0 23 -4,-1.0 2,-0.3 -3,-0.9 60,-0.0 -0.224 40.5 175.9 -54.9 137.0 -87.4 -111.7 22.4 63 59 A N + 0 0 132 6,-0.1 5,-0.1 58,-0.0 6,-0.1 -0.877 19.6 132.4-147.2 104.6 -84.7 -113.6 24.2 64 60 A H > - 0 0 31 -2,-0.3 3,-1.8 3,-0.3 54,-0.0 -0.985 60.9-118.7-157.8 144.1 -81.2 -113.4 22.8 65 61 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.750 113.7 51.4 -56.7 -23.0 -77.7 -112.7 24.1 66 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.015 94.3 80.4-107.1 28.5 -77.4 -109.6 21.9 67 63 A I B < S-e 147 0B 14 -3,-1.8 -3,-0.3 79,-0.3 81,-0.2 -0.998 91.6-106.5-131.0 124.2 -80.6 -108.0 23.0 68 64 A V - 0 0 19 79,-2.5 2,-0.4 -2,-0.4 -2,-0.1 -0.159 37.8-115.4 -51.5 141.7 -80.6 -106.1 26.3 69 65 A K - 0 0 115 -4,-0.1 16,-2.1 -6,-0.1 2,-0.6 -0.690 14.8-141.7 -88.3 130.8 -82.4 -107.9 29.1 70 66 A L E -D 84 0A 71 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.806 18.4-177.6 -88.3 122.6 -85.6 -106.4 30.6 71 67 A L E - 0 0 72 12,-2.8 2,-0.3 -2,-0.6 13,-0.2 0.773 59.0 -18.3 -94.3 -28.7 -85.5 -107.1 34.4 72 68 A D E -D 83 0A 57 11,-1.9 11,-3.2 2,-0.0 2,-0.4 -0.985 50.0-133.1-170.3 164.4 -88.8 -105.6 35.4 73 69 A V E -D 82 0A 48 -2,-0.3 2,-0.5 9,-0.2 -70,-0.3 -0.994 17.1-161.0-129.9 133.6 -91.7 -103.2 34.6 74 70 A I E -D 81 0A 8 7,-3.1 7,-2.6 -2,-0.4 2,-0.3 -0.957 3.7-164.8-124.4 119.1 -93.1 -100.7 37.0 75 71 A H E +D 80 0A 136 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.773 17.5 156.1-100.1 144.2 -96.6 -99.1 36.5 76 72 A T - 0 0 53 3,-1.8 -1,-0.0 -2,-0.3 -72,-0.0 -0.344 59.9 -49.0-134.0-142.8 -97.8 -96.0 38.3 77 73 A E S S- 0 0 171 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.986 123.3 -18.2 -62.5 -85.7 -100.5 -93.4 37.5 78 74 A N S S+ 0 0 81 -3,-0.1 -37,-3.4 -36,-0.0 2,-0.3 -0.170 121.7 89.9-116.7 35.2 -99.8 -92.4 33.9 79 75 A K E -C 40 0A 60 -39,-0.2 -3,-1.8 -37,-0.0 2,-0.4 -0.922 52.3-160.4-135.3 160.2 -96.3 -93.7 33.8 80 76 A L E -CD 39 75A 18 -41,-1.7 -41,-3.4 -2,-0.3 2,-0.5 -0.995 8.3-166.7-139.6 126.0 -94.3 -96.8 32.9 81 77 A Y E -CD 38 74A 39 -7,-2.6 -7,-3.1 -2,-0.4 2,-0.5 -0.977 6.6-156.6-117.9 125.9 -90.8 -97.5 34.1 82 78 A L E -CD 37 73A 25 -45,-3.0 -45,-2.1 -2,-0.5 2,-0.7 -0.887 6.4-151.0-103.8 129.9 -88.8 -100.2 32.5 83 79 A V E -CD 36 72A 4 -11,-3.2 -12,-2.8 -2,-0.5 -11,-1.9 -0.901 23.2-179.0-102.1 115.9 -85.9 -101.6 34.6 84 80 A F E -CD 35 70A 36 -49,-3.3 -49,-2.3 -2,-0.7 -14,-0.2 -0.739 36.0 -93.4-113.9 162.1 -83.1 -103.0 32.4 85 81 A E E -C 34 0A 30 -16,-2.1 2,-0.4 -2,-0.3 -51,-0.2 -0.457 47.9-121.3 -67.9 145.4 -79.8 -104.7 33.0 86 82 A F - 0 0 52 -53,-0.6 2,-0.3 -2,-0.1 -53,-0.1 -0.785 26.9-166.0 -93.6 132.8 -77.1 -102.0 33.1 87 83 A L - 0 0 16 -2,-0.4 53,-0.2 1,-0.1 52,-0.1 -0.886 29.6-112.1-115.9 152.3 -74.2 -102.2 30.6 88 84 A H S S- 0 0 55 -2,-0.3 2,-0.3 51,-0.1 52,-0.2 0.845 81.2 -21.3 -46.4 -56.2 -71.0 -100.3 30.8 89 85 A Q E -F 139 0B 11 50,-1.7 50,-2.5 -3,-0.0 2,-0.3 -0.883 59.3-112.0-148.6 175.5 -71.2 -97.9 27.8 90 86 A D E > -F 138 0B 13 -2,-0.3 4,-2.0 48,-0.3 48,-0.2 -0.725 38.1-105.7-110.7 167.1 -72.9 -97.4 24.5 91 87 A L H > S+ 0 0 0 46,-2.4 4,-2.6 43,-1.1 5,-0.2 0.823 117.2 58.1 -63.5 -33.6 -71.1 -97.5 21.1 92 88 A K H > S+ 0 0 68 42,-0.8 4,-2.6 45,-0.2 -1,-0.2 0.960 109.0 43.8 -62.3 -48.9 -71.3 -93.8 20.7 93 89 A K H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.900 113.7 52.1 -62.5 -39.8 -69.4 -93.1 23.9 94 90 A F H X S+ 0 0 5 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.912 110.9 46.3 -63.7 -44.0 -66.9 -95.9 23.1 95 91 A M H >X S+ 0 0 12 -4,-2.6 3,-0.7 1,-0.2 4,-0.6 0.922 111.1 52.5 -65.1 -41.6 -66.2 -94.5 19.7 96 92 A D H 3< S+ 0 0 94 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.846 111.2 47.4 -61.8 -33.7 -65.8 -91.0 21.1 97 93 A A H 3< S+ 0 0 71 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.639 118.0 42.2 -80.5 -16.8 -63.3 -92.3 23.6 98 94 A S H XX S+ 0 0 16 -4,-0.9 4,-4.5 -3,-0.7 3,-1.2 0.278 79.9 109.3-111.4 8.5 -61.5 -94.2 20.9 99 95 A A T 3< S+ 0 0 39 -4,-0.6 -1,-0.1 -3,-0.4 -2,-0.1 0.666 73.3 57.8 -61.0 -19.6 -61.5 -91.5 18.2 100 96 A L T 34 S+ 0 0 171 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.732 130.2 9.6 -85.2 -19.7 -57.8 -90.8 18.5 101 97 A T T <4 S- 0 0 112 -3,-1.2 -2,-0.2 3,-0.0 -1,-0.1 0.499 104.0-130.4-130.0 -18.3 -56.8 -94.3 17.7 102 98 A G < - 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0 0 81 -2,-0.1 4,-2.7 1,-0.0 3,-0.4 -0.310 42.8 -81.5 -89.9-179.7 -59.6 -104.2 2.7 261 257 A E H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.819 129.5 52.7 -54.5 -37.2 -61.6 -105.9 -0.1 262 258 A D H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.902 112.5 45.0 -66.5 -40.8 -63.4 -108.3 2.3 263 259 A G H > S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 -2,-0.2 0.918 115.2 46.6 -68.2 -45.2 -64.6 -105.3 4.4 264 260 A R H X S+ 0 0 64 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.858 109.9 55.2 -63.9 -36.9 -65.6 -103.2 1.4 265 261 A S H X S+ 0 0 36 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.935 112.5 42.0 -62.7 -45.1 -67.4 -106.2 -0.1 266 262 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.4 0.964 115.2 49.9 -66.8 -49.3 -69.5 -106.6 3.1 267 263 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 3,-0.4 0.901 108.8 52.7 -55.9 -42.6 -70.1 -102.9 3.4 268 264 A S H < S+ 0 0 42 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.843 108.6 49.9 -63.1 -34.4 -71.2 -102.6 -0.2 269 265 A Q H < S+ 0 0 68 -4,-1.5 10,-2.3 -3,-0.4 3,-0.5 0.754 111.5 49.0 -76.0 -23.1 -73.7 -105.4 0.2 270 266 A M H < S+ 0 0 0 -4,-1.5 -76,-0.3 -3,-0.4 -2,-0.2 0.776 114.1 45.2 -85.3 -27.0 -75.1 -103.7 3.3 271 267 A L S < S+ 0 0 8 -4,-1.9 -1,-0.2 -5,-0.2 2,-0.2 0.007 78.5 139.9-104.8 27.7 -75.4 -100.3 1.7 272 268 A H - 0 0 57 -3,-0.5 6,-0.1 1,-0.1 -3,-0.1 -0.512 52.6-137.5 -71.4 138.2 -76.9 -101.5 -1.5 273 269 A Y S S+ 0 0 11 -2,-0.2 -97,-0.2 -50,-0.1 -1,-0.1 0.939 87.5 73.1 -60.9 -49.6 -79.7 -99.1 -2.7 274 270 A D S >> S- 0 0 12 -44,-0.4 3,-2.0 1,-0.2 4,-1.4 -0.566 73.4-150.8 -71.2 114.8 -82.1 -101.9 -3.8 275 271 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.750 97.1 60.5 -56.8 -22.4 -83.5 -103.5 -0.6 276 272 A N T 34 S+ 0 0 146 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.693 108.7 39.7 -78.6 -21.4 -83.8 -106.7 -2.6 277 273 A K T <4 S+ 0 0 95 -3,-2.0 -1,-0.2 2,-0.1 2,-0.1 0.566 89.9 110.7-102.1 -12.4 -80.1 -106.9 -3.3 278 274 A R S < S- 0 0 14 -4,-1.4 -8,-0.2 -6,-0.1 -9,-0.1 -0.390 79.0-106.4 -64.2 133.5 -79.1 -105.8 0.2 279 275 A I - 0 0 18 -10,-2.3 2,-0.2 -13,-0.2 -1,-0.1 -0.217 31.2-122.5 -63.1 149.9 -77.5 -108.6 2.1 280 276 A S > - 0 0 61 1,-0.1 4,-2.5 -3,-0.1 5,-0.1 -0.535 20.5-114.7 -88.0 162.5 -79.6 -110.3 4.9 281 277 A A H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -161,-0.1 0.930 118.0 49.7 -61.0 -45.3 -78.3 -110.5 8.5 282 278 A K H > S+ 0 0 143 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.940 113.0 44.8 -60.8 -47.1 -78.1 -114.3 8.2 283 279 A A H >4 S+ 0 0 48 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.887 107.4 59.9 -66.3 -35.4 -76.2 -114.2 5.0 284 280 A A H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 -1,-0.2 0.861 94.2 64.1 -61.5 -34.1 -73.9 -111.5 6.3 285 281 A L H 3< S+ 0 0 42 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.778 101.3 52.1 -60.1 -26.4 -72.8 -113.8 9.1 286 282 A A T << S+ 0 0 86 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.394 83.0 124.2 -91.5 4.5 -71.3 -116.1 6.5 287 283 A H S X S- 0 0 15 -3,-2.2 3,-2.4 -4,-0.2 4,-0.1 -0.354 71.3-123.0 -67.2 141.2 -69.3 -113.4 4.8 288 284 A P G > S+ 0 0 53 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.705 104.8 79.0 -58.3 -17.2 -65.6 -113.9 4.5 289 285 A F G 3 S+ 0 0 2 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.813 94.1 50.6 -59.8 -26.7 -65.0 -110.7 6.4 290 286 A F G X S+ 0 0 10 -3,-2.4 3,-1.8 -6,-0.2 -1,-0.3 0.265 74.0 111.5 -96.8 12.9 -65.7 -112.8 9.5 291 287 A Q T < S+ 0 0 153 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.836 90.2 30.6 -53.1 -38.1 -63.3 -115.6 8.7 292 288 A D T 3 S+ 0 0 104 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.050 87.0 148.1-112.4 26.0 -61.1 -114.6 11.7 293 289 A V < + 0 0 43 -3,-1.8 2,-0.2 -184,-0.1 -186,-0.1 -0.324 19.0 172.3 -63.3 138.9 -63.7 -113.2 14.0 294 290 A T - 0 0 83 -188,-0.4 -1,-0.0 -2,-0.0 -2,-0.0 -0.633 39.9-105.0-131.3-168.3 -63.1 -113.6 17.7 295 291 A K + 0 0 122 -2,-0.2 -188,-0.1 2,-0.0 -151,-0.1 -0.518 45.4 174.7-124.4 63.7 -64.5 -112.4 21.0 296 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.261 29.1-125.5 -69.7 155.9 -62.1 -109.7 22.3 297 293 A V - 0 0 102 1,-0.1 -155,-0.1 -154,-0.0 -156,-0.1 -0.880 31.5-119.9-102.6 133.4 -62.8 -107.7 25.5 298 294 A P - 0 0 16 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.133 12.9-116.5 -69.6 166.5 -62.7 -103.8 25.0 299 295 A H - 0 0 152 2,-0.0 2,-0.4 0, 0.0 -158,-0.0 -0.698 42.0-173.1-103.6 76.8 -60.5 -101.2 26.7 300 296 A L + 0 0 40 -2,-0.9 2,-0.3 -159,-0.1 -206,-0.0 -0.577 9.1 170.4 -80.4 128.3 -63.1 -99.3 28.6 301 297 A R 0 0 191 -2,-0.4 -204,-0.1 -207,-0.0 -2,-0.0 -0.948 360.0 360.0-133.2 153.6 -62.1 -96.0 30.4 302 298 A L 0 0 177 -2,-0.3 -2,-0.0 -205,-0.0 0, 0.0 -0.893 360.0 360.0-153.2 360.0 -64.2 -93.3 32.0