==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-05 2B52 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MUCKELBAUER . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 66.1 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 13.8 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 . 1 0.4 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 . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.1 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+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 1 0 0 2 0 1 0 1 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 0 3 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 . 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 1 A M > 0 0 50 0, 0.0 3,-1.2 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 144.4 93.5 59.0 26.6 2 2 A E T 3 + 0 0 127 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.843 360.0 41.4 -61.8 -35.0 96.9 57.5 27.0 3 3 A N T 3 S+ 0 0 56 21,-0.1 21,-2.5 20,-0.1 22,-0.6 0.300 110.3 69.5 -97.6 9.8 96.4 55.2 24.0 4 4 A F E < -A 23 0A 22 -3,-1.2 2,-0.4 19,-0.3 19,-0.2 -0.941 54.4-165.8-130.7 151.7 94.7 57.8 21.8 5 5 A Q E -A 22 0A 94 17,-0.6 17,-1.4 -2,-0.3 2,-0.9 -0.938 28.8-124.2-140.0 114.0 95.7 60.9 20.0 6 6 A K E +A 21 0A 97 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.387 33.2 174.6 -58.0 97.7 93.2 63.4 18.6 7 7 A V E - 0 0 67 13,-2.0 2,-0.3 -2,-0.9 14,-0.2 0.753 65.0 -10.9 -78.6 -25.2 94.3 63.5 15.0 8 8 A E E -A 20 0A 119 12,-1.1 12,-2.9 -3,-0.1 2,-0.8 -0.986 65.3-108.5-168.1 163.2 91.4 65.7 13.9 9 9 A K E - 0 0 90 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.807 25.7-177.2-107.2 92.7 88.1 67.2 15.0 10 10 A I E - 0 0 81 -2,-0.8 9,-0.2 8,-0.3 2,-0.2 0.866 55.4 -89.5 -54.7 -40.1 85.4 65.5 13.1 11 11 A G E -A 18 0A 18 7,-2.6 7,-2.0 -3,-0.1 2,-0.3 -0.610 43.4 -62.6 141.9 159.1 82.8 67.7 14.7 12 12 A E E -A 17 0A 106 5,-0.3 5,-0.3 -2,-0.2 21,-0.0 -0.553 49.6-165.1 -75.4 127.5 80.5 68.2 17.7 13 13 A G - 0 0 26 3,-2.5 -1,-0.1 -2,-0.3 4,-0.1 0.160 37.1 -89.8 -89.4-148.9 77.8 65.6 18.0 14 14 A T S S+ 0 0 52 1,-0.1 3,-0.1 3,-0.0 137,-0.1 0.756 125.0 32.0 -96.5 -33.5 74.6 65.6 20.0 15 15 A Y S S- 0 0 70 1,-0.4 21,-1.4 21,-0.0 2,-0.3 0.380 133.7 -41.9-105.0 0.3 76.1 64.0 23.1 16 16 A G E S- B 0 35A 3 19,-0.2 -3,-2.5 20,-0.1 -1,-0.4 -0.869 78.6 -49.2 155.6 172.3 79.6 65.4 22.8 17 17 A V E -AB 12 34A 32 17,-0.5 17,-2.2 -5,-0.3 2,-0.5 -0.364 42.6-145.8 -73.5 151.1 82.4 66.2 20.4 18 18 A V E +AB 11 33A 27 -7,-2.0 -7,-2.6 15,-0.2 -8,-0.3 -0.975 18.4 179.3-121.5 122.0 83.8 63.7 17.9 19 19 A Y E - B 0 32A 45 13,-2.6 13,-2.4 -2,-0.5 2,-0.9 -0.808 34.6-116.1-117.6 159.1 87.5 63.7 16.9 20 20 A K E -AB 8 31A 49 -12,-2.9 -13,-2.0 -2,-0.3 -12,-1.1 -0.860 45.1-173.0 -96.0 103.9 89.4 61.4 14.5 21 21 A A E -AB 6 30A 0 9,-1.6 9,-2.9 -2,-0.9 2,-0.5 -0.671 22.0-142.2-102.1 155.9 91.7 59.6 16.9 22 22 A R E -AB 5 29A 115 -17,-1.4 2,-0.6 -2,-0.2 -17,-0.6 -0.966 23.1-127.8-117.1 115.6 94.6 57.2 16.1 23 23 A N E > -A 4 0A 11 5,-3.2 4,-1.8 -2,-0.5 5,-0.5 -0.492 15.4-153.1 -64.2 110.4 95.0 54.3 18.6 24 24 A K T 4 S+ 0 0 116 -21,-2.5 -1,-0.2 -2,-0.6 -20,-0.1 0.760 90.4 42.2 -57.6 -28.2 98.6 54.5 19.7 25 25 A L T 4 S+ 0 0 114 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.944 125.7 28.7 -85.9 -52.1 98.8 50.8 20.5 26 26 A T T 4 S- 0 0 69 -23,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.430 96.2-133.1 -88.6 0.1 96.9 49.2 17.6 27 27 A G < + 0 0 51 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.797 58.3 140.1 52.8 32.3 97.8 52.0 15.1 28 28 A E - 0 0 81 -5,-0.5 -5,-3.2 0, 0.0 2,-0.4 -0.744 54.1-122.6-108.0 154.8 94.2 52.2 14.0 29 29 A V E +B 22 0A 57 -2,-0.3 50,-0.6 -7,-0.2 2,-0.3 -0.817 40.1 165.2 -95.5 132.8 92.0 55.2 13.1 30 30 A V E -BC 21 78A 0 -9,-2.9 -9,-1.6 -2,-0.4 2,-0.7 -0.840 42.3-106.3-137.8 173.4 88.8 55.5 15.1 31 31 A A E -BC 20 77A 11 46,-2.8 46,-3.0 -2,-0.3 2,-0.7 -0.923 35.1-159.8-108.5 109.0 86.1 58.0 15.9 32 32 A L E -BC 19 76A 2 -13,-2.4 -13,-2.6 -2,-0.7 2,-0.6 -0.812 4.4-166.1 -95.6 114.8 86.6 59.2 19.5 33 33 A K E -BC 18 75A 8 42,-3.3 42,-2.7 -2,-0.7 2,-0.7 -0.883 9.4-150.8-104.8 118.7 83.5 60.7 21.1 34 34 A K E -BC 17 74A 44 -17,-2.2 -17,-0.5 -2,-0.6 2,-0.3 -0.778 19.4-146.7 -87.6 111.7 84.1 62.7 24.3 35 35 A I E BC 16 73A 28 38,-3.4 38,-0.9 -2,-0.7 -19,-0.2 -0.653 360.0 360.0 -89.0 137.8 80.9 62.4 26.4 36 36 A R 0 0 164 -21,-1.4 3,-0.2 -2,-0.3 -1,-0.1 0.736 360.0 360.0 -82.1 360.0 79.7 65.2 28.6 37 ! 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 38 41 A T 0 0 54 0, 0.0 34,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 137.4 80.9 65.1 33.5 39 42 A E - 0 0 168 -3,-0.2 32,-0.1 32,-0.0 33,-0.1 -0.254 360.0 -40.9-120.7 42.8 80.0 65.5 37.2 40 43 A G S S- 0 0 30 31,-0.4 31,-0.1 30,-0.1 32,-0.0 -0.223 80.5-118.3 130.9 -45.5 80.1 61.9 38.3 41 44 A V - 0 0 17 -5,-0.1 5,-0.1 32,-0.0 30,-0.1 0.888 31.9 -98.6 73.5 102.7 78.4 60.1 35.4 42 45 A P > - 0 0 76 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.179 20.6-143.2 -50.9 132.6 75.2 58.1 36.2 43 46 A S T 4 S+ 0 0 68 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.640 101.1 58.4 -73.3 -15.1 75.7 54.4 36.7 44 47 A T T > S+ 0 0 99 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.813 106.0 48.5 -81.6 -33.4 72.4 53.7 35.1 45 48 A A H > S+ 0 0 39 -3,-0.2 4,-2.1 2,-0.2 3,-0.4 0.902 108.4 52.4 -71.8 -43.8 73.5 55.4 31.9 46 49 A I H < S+ 0 0 51 -4,-1.7 4,-0.5 1,-0.3 -1,-0.2 0.709 108.9 52.1 -65.7 -20.9 76.9 53.6 31.8 47 50 A R H > S+ 0 0 164 -4,-0.4 4,-0.7 2,-0.2 -1,-0.3 0.747 106.3 53.6 -85.1 -26.6 74.9 50.4 32.0 48 51 A E H >X S+ 0 0 109 -4,-0.9 4,-1.2 -3,-0.4 3,-0.7 0.901 111.8 43.8 -71.1 -43.9 72.7 51.4 29.1 49 52 A I H 3X S+ 0 0 16 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.732 102.4 70.3 -71.5 -23.3 75.7 52.0 26.9 50 53 A S H 34 S+ 0 0 69 -4,-0.5 -1,-0.2 -5,-0.2 3,-0.2 0.815 98.8 48.5 -63.5 -31.3 77.0 48.7 28.3 51 54 A L H XX S+ 0 0 118 -4,-0.7 3,-3.3 -3,-0.7 4,-0.6 0.941 97.2 69.9 -73.2 -48.6 74.3 47.0 26.3 52 55 A L H >< S+ 0 0 37 -4,-1.2 3,-0.9 1,-0.3 11,-0.2 0.724 84.9 68.2 -39.3 -37.9 75.1 48.8 23.0 53 56 A K T 3< S+ 0 0 50 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.741 102.5 47.8 -60.8 -20.7 78.4 47.0 22.6 54 57 A E T <4 S+ 0 0 135 -3,-3.3 2,-2.0 -4,-0.2 -1,-0.3 0.636 86.9 91.2 -92.6 -17.8 76.4 43.9 22.0 55 58 A L << + 0 0 21 -3,-0.9 2,-0.5 -4,-0.6 8,-0.1 -0.546 60.4 166.3 -79.5 77.7 74.1 45.5 19.5 56 59 A N + 0 0 75 -2,-2.0 5,-0.1 6,-0.1 -3,-0.0 -0.864 4.5 154.8-104.3 124.5 76.2 44.7 16.4 57 60 A H > - 0 0 40 -2,-0.5 3,-1.9 3,-0.3 54,-0.0 -0.986 51.3-119.3-144.3 147.6 74.7 45.0 13.0 58 61 A P T 3 S+ 0 0 97 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.774 117.1 49.2 -57.4 -26.7 76.3 45.6 9.6 59 62 A N T 3 S+ 0 0 7 48,-0.1 81,-2.7 80,-0.1 2,-0.4 0.077 96.8 82.5-103.7 24.9 74.3 48.8 9.3 60 63 A I B < S-e 140 0B 12 -3,-1.9 -3,-0.3 79,-0.3 81,-0.2 -0.992 88.3-112.4-130.0 123.4 75.2 50.2 12.7 61 64 A V - 0 0 11 79,-2.3 2,-0.2 -2,-0.4 81,-0.1 -0.375 45.5-116.6 -54.7 119.7 78.5 52.0 13.3 62 65 A K - 0 0 83 -2,-0.1 16,-2.2 -4,-0.1 2,-0.9 -0.388 13.9-138.3 -67.3 132.4 80.4 49.6 15.6 63 66 A L E -D 77 0A 9 -11,-0.2 14,-0.3 14,-0.2 3,-0.1 -0.822 20.5-173.8 -91.1 106.9 81.2 50.7 19.1 64 67 A L E - 0 0 38 12,-1.6 2,-0.3 -2,-0.9 -1,-0.2 0.964 58.2 -17.7 -68.2 -54.5 84.7 49.5 19.6 65 68 A D E -D 76 0A 92 11,-1.5 11,-1.7 2,-0.0 2,-0.4 -0.891 49.9-134.0-146.8 176.0 85.2 50.3 23.2 66 69 A V E -D 75 0A 65 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.951 17.8-169.2-140.3 114.1 83.9 52.4 26.2 67 70 A I E +D 74 0A 26 7,-2.5 7,-3.4 -2,-0.4 2,-0.5 -0.925 9.6 176.1-109.9 115.2 86.4 54.3 28.4 68 71 A H E +D 73 0A 77 -2,-0.6 2,-0.4 5,-0.2 3,-0.4 -0.652 23.8 153.6-115.8 70.8 85.1 55.8 31.6 69 72 A T E > +D 72 0A 46 3,-0.7 3,-1.9 -2,-0.5 -2,-0.1 -0.843 64.2 2.6-105.8 141.4 88.2 57.2 33.2 70 73 A E T 3 S- 0 0 152 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.883 128.5 -62.4 54.8 44.2 88.3 60.1 35.7 71 74 A N T 3 S+ 0 0 87 -3,-0.4 -31,-0.4 1,-0.2 2,-0.4 0.546 114.0 123.1 61.5 5.3 84.5 60.4 35.6 72 75 A K E < - D 0 69A 47 -3,-1.9 -3,-0.7 -33,-0.1 2,-0.6 -0.809 54.2-146.5 -98.5 137.2 84.9 61.2 31.9 73 76 A L E -CD 35 68A 14 -38,-0.9 -38,-3.4 -2,-0.4 2,-0.4 -0.919 15.7-176.4-110.9 121.7 83.2 58.9 29.4 74 77 A Y E -CD 34 67A 31 -7,-3.4 -7,-2.5 -2,-0.6 2,-0.5 -0.942 9.5-160.2-116.7 134.8 84.8 58.2 26.0 75 78 A L E -CD 33 66A 4 -42,-2.7 -42,-3.3 -2,-0.4 2,-0.6 -0.968 5.8-159.5-117.3 117.8 83.1 56.2 23.2 76 79 A V E -CD 32 65A 2 -11,-1.7 -12,-1.6 -2,-0.5 -11,-1.5 -0.882 16.3-179.0-101.6 118.2 85.4 54.8 20.6 77 80 A F E -CD 31 63A 45 -46,-3.0 -46,-2.8 -2,-0.6 -14,-0.2 -0.714 36.5 -92.5-111.9 162.8 83.6 54.0 17.3 78 81 A E E -C 30 0A 48 -16,-2.2 2,-0.6 -2,-0.2 -48,-0.2 -0.425 49.6-115.4 -68.3 153.0 84.8 52.5 14.1 79 82 A F - 0 0 40 -50,-0.6 2,-0.3 -2,-0.1 -50,-0.1 -0.835 30.3-172.0-101.6 119.3 85.8 55.3 11.7 80 83 A L - 0 0 19 -2,-0.6 53,-0.2 1,-0.1 3,-0.1 -0.707 26.7-125.8-100.8 158.4 83.8 55.8 8.4 81 84 A H S S+ 0 0 100 51,-0.4 2,-0.3 -2,-0.3 52,-0.2 0.645 76.6 5.6 -83.4 -11.7 84.9 58.2 5.8 82 85 A Q E -F 132 0B 15 50,-1.3 50,-3.4 201,-0.0 2,-0.3 -0.994 58.6-123.6-166.6 158.1 81.9 60.4 5.2 83 86 A D E > -F 131 0B 38 -2,-0.3 4,-2.2 48,-0.2 48,-0.2 -0.701 30.4-118.1-103.9 158.0 78.3 61.3 6.3 84 87 A L H > S+ 0 0 0 46,-2.5 4,-2.7 43,-1.0 44,-0.2 0.817 111.6 60.1 -63.0 -34.4 75.2 61.3 4.1 85 88 A K H > S+ 0 0 80 42,-0.6 4,-2.2 45,-0.2 -1,-0.2 0.962 109.6 43.2 -57.6 -51.9 74.6 65.1 4.5 86 89 A K H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.924 112.2 53.1 -59.9 -48.6 78.0 65.7 3.0 87 90 A F H X S+ 0 0 10 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.885 109.5 49.5 -56.7 -40.1 77.5 63.1 0.3 88 91 A M H >X S+ 0 0 21 -4,-2.7 3,-1.1 2,-0.2 4,-0.8 0.925 109.1 49.9 -66.9 -44.1 74.2 64.8 -0.7 89 92 A D H 3< S+ 0 0 97 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.853 110.9 52.5 -61.7 -31.7 75.7 68.3 -0.9 90 93 A A H 3< S+ 0 0 77 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.637 113.7 42.5 -77.5 -15.6 78.4 66.7 -3.0 91 94 A S H XX S+ 0 0 16 -3,-1.1 4,-5.1 -4,-0.6 3,-0.9 0.382 80.2 110.1-108.8 0.6 75.7 65.2 -5.3 92 95 A A T 3< S+ 0 0 53 -4,-0.8 -1,-0.1 -3,-0.4 -2,-0.1 0.745 73.7 57.2 -46.5 -33.2 73.5 68.3 -5.4 93 96 A L T 34 S+ 0 0 155 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.917 130.9 6.8 -68.8 -44.2 74.3 69.0 -9.0 94 97 A T T <4 S- 0 0 103 -3,-0.9 -2,-0.2 3,-0.0 -1,-0.1 0.663 101.9-125.7-112.5 -24.8 73.1 65.7 -10.3 95 98 A G < - 0 0 8 -4,-5.1 -3,-0.1 -7,-0.2 89,-0.1 0.264 39.3 -65.3 86.7 143.3 71.5 64.0 -7.3 96 99 A I - 0 0 13 87,-0.4 2,-0.1 1,-0.1 5,-0.0 -0.418 64.2-104.7 -61.9 134.7 72.3 60.6 -5.9 97 100 A P >> - 0 0 76 0, 0.0 3,-2.0 0, 0.0 4,-2.0 -0.423 27.5-118.6 -64.8 134.4 71.4 57.9 -8.5 98 101 A L H 3> S+ 0 0 63 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.781 112.0 59.3 -43.9 -40.6 68.1 56.1 -7.6 99 102 A P H 3> S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 178,-0.4 0.865 110.4 43.7 -60.5 -32.4 69.8 52.7 -7.3 100 103 A L H <> S+ 0 0 3 -3,-2.0 4,-2.7 2,-0.2 5,-0.2 0.916 113.1 50.5 -75.7 -45.4 72.1 54.1 -4.6 101 104 A I H X S+ 0 0 5 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.932 112.4 48.2 -55.9 -46.3 69.2 55.9 -2.9 102 105 A K H X S+ 0 0 11 -4,-3.3 4,-2.1 -5,-0.2 -1,-0.2 0.899 111.7 50.0 -62.4 -41.6 67.3 52.6 -3.0 103 106 A S H X S+ 0 0 5 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.931 110.7 47.5 -64.6 -46.9 70.3 50.7 -1.6 104 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.896 112.9 49.7 -60.7 -42.2 70.9 53.1 1.3 105 108 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.903 110.7 50.0 -63.3 -43.7 67.2 53.1 2.3 106 109 A F H X S+ 0 0 48 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.930 112.5 46.8 -61.3 -46.5 67.1 49.3 2.2 107 110 A Q H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 112.3 49.0 -62.5 -45.6 70.2 49.1 4.4 108 111 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.854 109.1 53.5 -63.3 -36.9 68.9 51.6 6.9 109 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.877 109.0 50.1 -65.8 -35.4 65.6 49.8 7.1 110 113 A Q H X S+ 0 0 69 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.939 111.8 47.1 -66.5 -46.5 67.5 46.6 7.9 111 114 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.950 115.1 45.8 -58.6 -50.7 69.5 48.4 10.6 112 115 A L H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.920 108.4 55.4 -58.7 -48.2 66.3 49.9 12.1 113 116 A A H X S+ 0 0 24 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.905 111.0 48.3 -51.4 -41.5 64.4 46.6 11.9 114 117 A F H X S+ 0 0 47 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.940 113.7 43.0 -65.8 -51.4 67.3 45.2 13.9 115 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.8 0.968 114.8 51.4 -58.4 -52.8 67.4 47.9 16.6 116 119 A H H ><5S+ 0 0 20 -4,-3.3 3,-1.8 1,-0.3 -1,-0.2 0.838 103.2 56.8 -54.8 -38.7 63.6 47.9 16.8 117 120 A S H 3<5S+ 0 0 88 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.699 109.0 50.1 -68.9 -14.2 63.4 44.2 17.3 118 121 A H T <<5S- 0 0 100 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.167 121.9-107.0-106.6 16.9 65.7 44.8 20.3 119 122 A R T < 5S+ 0 0 189 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.776 76.7 135.7 64.6 29.5 63.5 47.6 21.8 120 123 A V < - 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0 0 4 -4,-1.8 24,-0.2 24,-0.5 -3,-0.2 0.250 44.6 -62.2 82.9 148.2 47.2 68.4 5.9 208 221 A T - 0 0 8 22,-1.8 24,-0.1 1,-0.1 -8,-0.0 -0.514 62.6-122.6 -67.2 122.7 46.3 69.1 9.5 209 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.319 34.7 177.4 -68.1 147.6 45.5 65.7 11.2 210 223 A D > - 0 0 56 -2,-0.0 4,-2.8 7,-0.0 7,-0.2 -0.768 51.3 -78.3-136.9-177.5 42.2 65.1 12.9 211 224 A E T 4 S+ 0 0 81 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.682 124.9 60.8 -60.3 -17.0 40.5 62.3 14.6 212 225 A V T 4 S+ 0 0 121 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.962 117.9 22.7 -75.9 -54.8 39.7 60.8 11.2 213 226 A V T 4 S+ 0 0 70 1,-0.3 44,-0.5 -3,-0.1 -2,-0.2 0.747 140.0 28.6 -84.8 -22.5 43.3 60.2 9.9 214 227 A W S >< S- 0 0 11 -4,-2.8 3,-2.2 42,-0.1 4,-0.3 -0.673 80.0-150.9-140.9 83.3 44.8 60.2 13.4 215 228 A P T 3 S+ 0 0 71 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.274 85.9 18.5 -54.7 129.1 42.5 58.9 16.2 216 229 A G T > S+ 0 0 32 41,-0.0 3,-1.7 4,-0.0 4,-0.3 0.356 87.1 121.8 90.9 -5.9 43.4 60.5 19.5 217 230 A V G X + 0 0 0 -3,-2.2 3,-1.5 1,-0.3 6,-0.1 0.845 67.9 58.7 -57.4 -39.4 45.4 63.3 17.9 218 231 A T G 3 S+ 0 0 60 1,-0.3 -1,-0.3 -4,-0.3 -7,-0.0 0.467 101.0 58.4 -73.1 0.3 43.2 66.0 19.5 219 232 A S G < S+ 0 0 98 -3,-1.7 -1,-0.3 3,-0.0 -2,-0.2 0.467 76.1 122.5-104.1 -7.7 44.2 64.6 22.9 220 233 A M S X S- 0 0 25 -3,-1.5 3,-1.3 -4,-0.3 -57,-0.1 -0.233 72.8-118.8 -55.0 145.3 47.9 65.2 22.3 221 234 A P T 3 S+ 0 0 76 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.915 110.9 35.1 -52.9 -51.7 49.5 67.4 25.0 222 235 A D T 3 S+ 0 0 71 -60,-2.7 2,-0.4 2,-0.1 -59,-0.2 0.161 88.8 121.5 -93.7 19.3 50.6 70.2 22.6 223 236 A Y < - 0 0 44 -3,-1.3 3,-0.0 -61,-0.4 -61,-0.0 -0.702 46.3-160.9 -83.7 128.4 47.6 69.9 20.3 224 237 A K > - 0 0 103 -2,-0.4 3,-2.1 1,-0.1 -2,-0.1 -0.944 21.0-146.1-114.5 128.2 45.6 73.1 20.0 225 238 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.764 102.4 67.6 -57.1 -23.0 42.0 73.2 18.7 226 239 A S T 3 S+ 0 0 104 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.179 71.8 129.1 -83.2 14.4 43.1 76.5 17.3 227 240 A F S < S- 0 0 20 -3,-2.1 -19,-0.0 1,-0.1 -4,-0.0 -0.500 70.2-102.0 -71.2 138.0 45.5 74.9 14.8 228 241 A P - 0 0 54 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.291 32.3-124.0 -60.0 146.8 45.0 76.1 11.3 229 242 A K + 0 0 137 -3,-0.1 2,-0.2 -22,-0.1 -25,-0.0 -0.758 36.4 177.0 -99.0 92.0 43.1 73.6 9.1 230 243 A W - 0 0 67 -2,-0.9 -22,-1.8 1,-0.0 2,-0.2 -0.630 24.0-125.6 -93.7 151.5 45.2 72.8 6.0 231 244 A A - 0 0 73 -2,-0.2 -24,-0.5 -24,-0.2 2,-0.1 -0.569 33.5 -95.1 -92.0 157.6 44.3 70.3 3.3 232 245 A R - 0 0 120 -26,-0.3 2,-0.2 -2,-0.2 -26,-0.2 -0.452 37.6-135.9 -73.5 142.7 46.5 67.4 2.2 233 246 A Q - 0 0 73 -28,-2.5 2,-0.2 -2,-0.1 -1,-0.1 -0.653 25.5 -97.5 -97.7 156.7 48.8 67.9 -0.8 234 247 A D >> - 0 0 106 -2,-0.2 4,-1.2 1,-0.1 3,-1.0 -0.518 21.7-142.8 -72.8 135.7 49.3 65.5 -3.6 235 248 A F H 3> S+ 0 0 18 1,-0.2 4,-2.8 -2,-0.2 -1,-0.1 0.809 99.2 68.3 -68.0 -30.3 52.4 63.4 -3.3 236 249 A S H 34 S+ 0 0 55 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.731 107.6 40.4 -60.4 -21.9 53.0 63.6 -7.0 237 250 A K H <4 S+ 0 0 148 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.706 114.8 53.5 -94.9 -29.4 53.7 67.3 -6.4 238 251 A V H < S+ 0 0 33 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.2 0.921 121.6 19.3 -75.4 -49.0 55.7 66.7 -3.1 239 252 A V S >< S- 0 0 1 -4,-2.8 3,-1.9 3,-0.1 -1,-0.2 -0.377 85.6-170.7-125.3 59.6 58.3 64.2 -4.2 240 253 A P T 3 + 0 0 66 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.678 66.3 29.6 -86.3 149.4 58.7 64.2 -8.0 241 254 A P T 3 S+ 0 0 122 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.434 86.5 119.9-102.5 65.8 60.3 62.4 -9.8 242 255 A L < - 0 0 3 -3,-1.9 -3,-0.1 -6,-0.1 5,-0.0 -0.746 63.8-121.1 -87.2 130.7 59.8 59.5 -7.5 243 256 A D > - 0 0 62 -2,-0.4 4,-2.8 1,-0.1 3,-0.5 -0.235 31.4 -96.2 -66.8 161.0 57.9 56.6 -9.2 244 257 A E H > S+ 0 0 123 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.807 124.9 54.7 -46.6 -41.5 54.6 55.3 -7.7 245 258 A D H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.943 112.1 43.5 -59.6 -48.9 56.3 52.5 -5.9 246 259 A G H > S+ 0 0 0 -3,-0.5 4,-2.9 1,-0.2 -2,-0.2 0.952 115.9 47.8 -61.2 -50.2 58.6 55.0 -4.2 247 260 A R H X S+ 0 0 47 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.878 109.7 53.6 -58.4 -41.4 55.8 57.4 -3.5 248 261 A S H X S+ 0 0 48 -4,-3.1 4,-1.5 -5,-0.3 -1,-0.2 0.947 112.1 43.8 -58.9 -51.4 53.6 54.6 -2.1 249 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.921 112.9 52.8 -60.9 -45.4 56.3 53.5 0.3 250 263 A L H >X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 3,-0.8 0.919 106.2 51.4 -58.4 -47.2 57.1 57.1 1.3 251 264 A S H 3< S+ 0 0 34 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.871 108.8 53.2 -60.3 -33.5 53.5 57.9 2.1 252 265 A Q H 3< S+ 0 0 66 -4,-1.5 10,-2.3 1,-0.2 3,-0.4 0.747 109.0 48.3 -73.4 -22.6 53.3 54.8 4.3 253 266 A M H << S+ 0 0 0 -4,-1.2 -76,-0.2 -3,-0.8 -1,-0.2 0.675 111.7 51.3 -86.8 -20.6 56.4 56.0 6.3 254 267 A L S < S+ 0 0 2 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.134 77.4 141.5-103.7 18.6 54.9 59.5 6.7 255 268 A H - 0 0 67 -3,-0.4 6,-0.1 1,-0.1 -3,-0.1 -0.334 50.8-138.6 -60.3 139.5 51.6 58.3 8.1 256 269 A Y S S+ 0 0 14 1,-0.1 -97,-0.2 -50,-0.1 -1,-0.1 0.950 87.7 72.0 -65.0 -51.4 50.3 60.6 10.9 257 270 A D S >> S- 0 0 19 -44,-0.5 4,-1.8 1,-0.2 3,-1.7 -0.560 76.5-148.3 -71.2 106.6 49.0 57.8 13.1 258 271 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.794 99.1 53.6 -44.8 -34.0 52.2 56.1 14.5 259 272 A N T 34 S+ 0 0 151 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.810 108.5 47.4 -73.0 -32.2 50.2 52.8 14.6 260 273 A K T <4 S+ 0 0 97 -3,-1.7 -1,-0.2 2,-0.1 3,-0.1 0.718 89.5 108.1 -80.4 -21.2 49.3 53.1 10.9 261 274 A R S < S- 0 0 12 -4,-1.8 -8,-0.2 -6,-0.1 -9,-0.1 -0.336 81.1-105.7 -61.8 132.1 52.9 54.0 10.0 262 275 A I - 0 0 23 -10,-2.3 2,-0.1 -13,-0.2 -1,-0.1 -0.197 32.8-122.0 -58.3 145.1 54.7 51.1 8.2 263 276 A S > - 0 0 64 1,-0.1 4,-2.5 -3,-0.1 5,-0.1 -0.463 20.1-113.6 -85.3 164.0 57.3 49.1 10.2 264 277 A A H > S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 -151,-0.1 0.917 118.5 46.9 -62.9 -43.7 60.9 48.8 9.1 265 278 A K H > S+ 0 0 169 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.883 112.2 50.0 -67.0 -38.0 60.5 45.0 8.5 266 279 A A H >4 S+ 0 0 46 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.923 107.0 55.5 -66.1 -41.5 57.2 45.6 6.5 267 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 6,-0.2 0.842 97.6 63.4 -59.6 -34.8 59.0 48.3 4.4 268 281 A L H 3< S+ 0 0 41 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.856 101.5 51.5 -59.1 -33.7 61.7 45.8 3.4 269 282 A A T << S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.406 82.9 122.6 -83.6 0.5 59.0 43.7 1.7 270 283 A H S X S- 0 0 18 -3,-1.7 3,-2.5 -4,-0.2 4,-0.1 -0.422 74.3-120.8 -68.4 135.3 57.7 46.7 -0.3 271 284 A P G > S+ 0 0 71 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.625 105.5 79.5 -51.2 -12.9 57.7 46.2 -4.1 272 285 A F G 3 S+ 0 0 0 1,-0.3 3,-0.5 -27,-0.2 -26,-0.1 0.837 94.9 46.0 -63.6 -32.5 60.0 49.3 -4.3 273 286 A F G X S+ 0 0 11 -3,-2.5 3,-1.2 -6,-0.2 -1,-0.3 0.131 80.4 104.2 -96.6 18.6 62.9 47.1 -3.3 274 287 A Q T < S+ 0 0 163 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.906 92.5 33.2 -64.9 -39.7 62.0 44.4 -5.8 275 288 A D T 3 S+ 0 0 92 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.3 -0.252 89.2 151.7-110.1 43.5 64.8 45.6 -8.0 276 289 A V < + 0 0 47 -3,-1.2 2,-0.3 -174,-0.1 -3,-0.1 -0.573 15.4 172.8 -80.5 138.0 67.2 46.6 -5.2 277 290 A T - 0 0 82 -178,-0.4 -174,-0.1 -2,-0.3 -2,-0.0 -0.895 35.3-118.1-136.8 163.8 71.0 46.5 -5.9 278 291 A K - 0 0 126 -2,-0.3 -178,-0.1 -175,-0.1 -141,-0.0 -0.724 37.0-176.2-109.5 83.2 74.1 47.6 -4.0 279 292 A P - 0 0 34 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.225 25.6-117.9 -71.6 165.2 75.9 50.2 -6.2 280 293 A V - 0 0 104 3,-0.0 -145,-0.1 2,-0.0 -144,-0.1 -0.917 29.1-128.0-106.8 129.9 79.2 51.8 -5.2 281 294 A P - 0 0 17 0, 0.0 2,-1.5 0, 0.0 -145,-0.0 -0.371 13.7-121.0 -76.8 154.0 79.3 55.6 -4.7 282 295 A H - 0 0 190 -2,-0.1 2,-0.2 2,-0.0 -148,-0.0 -0.667 48.1-176.3 -91.3 77.5 81.7 58.1 -6.3 283 296 A L - 0 0 17 -2,-1.5 2,-0.6 -149,-0.1 -201,-0.0 -0.529 20.8-151.8 -81.4 143.8 83.0 59.3 -3.0 284 297 A R 0 0 185 -2,-0.2 -2,-0.0 1,-0.1 -194,-0.0 -0.935 360.0 360.0-119.3 108.0 85.5 62.1 -2.6 285 298 A L 0 0 111 -2,-0.6 -1,-0.1 -203,-0.0 -2,-0.0 0.815 360.0 360.0-104.9 360.0 87.8 61.8 0.5