==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAR-96 1CRK . COMPND 2 MOLECULE: CREATINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR K.FRITZ-WOLF,T.SCHNYDER,T.WALLIMANN,W.KABSCH . 1520 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1029 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 105 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 199 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 401 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 10 10 0 4 4 4 2 4 0 0 0 0 4 0 0 0 0 0 4 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 12 4 0 5 15 3 0 4 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 4 0 0 0 0 4 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 T 0 0 203 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.8 6.2 51.7 0.8 2 2 A V + 0 0 65 39,-0.2 39,-1.1 2,-0.0 2,-0.3 -0.866 360.0 163.0 -99.8 122.3 9.8 53.0 0.5 3 3 A H B -A 40 0A 76 -2,-0.5 37,-0.2 37,-0.2 36,-0.1 -0.858 29.4-161.3-152.8 118.7 10.8 53.5 -3.1 4 4 A E - 0 0 49 35,-1.2 -1,-0.1 -2,-0.3 36,-0.1 0.860 7.2-172.5 -64.1 -44.3 13.6 55.5 -4.6 5 5 A K + 0 0 127 34,-0.7 -1,-0.1 1,-0.0 -2,-0.0 0.945 12.7 171.3 26.9 56.3 12.5 55.8 -8.2 6 6 A R + 0 0 84 1,-0.1 -1,-0.0 2,-0.0 -3,-0.0 0.983 14.5 161.9 -43.0 -51.4 15.9 57.4 -8.7 7 7 A K + 0 0 112 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.756 18.2 134.1 36.5 35.0 14.6 57.0 -12.3 8 8 A L S S+ 0 0 117 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.584 85.1 5.3 -85.7 -9.4 17.1 59.4 -13.6 9 9 A F S S- 0 0 119 5,-0.0 -1,-0.3 0, 0.0 -2,-0.2 -0.961 101.5 -81.9-154.3 159.7 17.6 56.8 -16.3 10 10 A P > - 0 0 30 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.547 55.4-112.0 -64.1 128.5 15.9 53.6 -17.0 11 11 A P G > S+ 0 0 16 0, 0.0 3,-1.6 0, 0.0 885,-0.0 0.656 113.5 65.6 -38.2 -34.7 17.7 51.2 -14.6 12 12 A S G > S+ 0 0 13 1,-0.3 3,-2.9 2,-0.2 1014,-0.1 0.924 91.5 63.3 -60.6 -34.3 19.5 49.2 -17.3 13 13 A A G < S+ 0 0 43 -3,-2.7 -1,-0.3 1,-0.3 1013,-0.1 0.726 102.7 53.4 -60.8 -14.8 21.4 52.3 -18.1 14 14 A D G < S+ 0 0 55 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.294 79.1 129.9-102.0 8.6 22.7 51.9 -14.6 15 15 A Y < - 0 0 37 -3,-2.9 -3,-0.1 1009,-0.2 1011,-0.1 -0.417 60.3-117.4 -69.0 133.9 23.9 48.3 -15.0 16 16 A P - 0 0 18 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.259 17.8-120.5 -68.7 150.9 27.5 47.6 -13.8 17 17 A D + 0 0 82 1,-0.1 3,-0.3 39,-0.1 1007,-0.1 -0.812 44.6 163.1 -86.4 92.9 30.1 46.4 -16.3 18 18 A L > + 0 0 21 -2,-1.1 3,-1.7 1005,-0.3 -1,-0.1 0.138 30.2 119.6-101.0 25.7 30.9 43.1 -14.5 19 19 A R T 3 S+ 0 0 108 1,-0.3 -1,-0.2 1004,-0.1 1005,-0.0 0.857 81.3 35.3 -63.1 -39.5 32.6 41.5 -17.5 20 20 A K T 3 S+ 0 0 150 -3,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.171 98.3 113.8-101.9 19.1 36.0 41.1 -15.9 21 21 A H < - 0 0 41 -3,-1.7 2,-0.3 5,-0.1 39,-0.1 -0.660 39.6-177.8 -97.0 140.5 34.7 40.3 -12.5 22 22 A N + 0 0 63 37,-2.6 2,-0.3 -2,-0.3 39,-0.1 -0.781 41.4 113.5-132.5 83.9 34.8 37.1 -10.5 23 23 A N S > S- 0 0 6 -2,-0.3 4,-2.8 37,-0.1 5,-0.2 -0.940 77.3-105.8-140.1 158.6 33.0 37.6 -7.2 24 24 A C H > S+ 0 0 9 42,-2.2 4,-1.3 -2,-0.3 44,-0.2 0.861 119.6 53.4 -56.5 -29.4 29.8 35.9 -6.1 25 25 A M H >> S+ 0 0 0 42,-2.2 4,-2.3 2,-0.2 3,-0.9 0.974 112.2 41.6 -65.0 -59.2 27.9 39.2 -6.7 26 26 A A H 34 S+ 0 0 16 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.886 113.5 56.5 -55.5 -36.6 29.0 39.6 -10.3 27 27 A E H 3< S+ 0 0 148 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.806 117.2 32.2 -69.9 -26.0 28.5 35.9 -10.8 28 28 A C H << S+ 0 0 31 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.640 92.0 102.9-111.4 -15.0 24.9 36.0 -9.7 29 29 A L < - 0 0 10 -4,-2.3 3,-0.1 -5,-0.1 54,-0.1 -0.367 46.9-173.5 -72.5 146.3 23.6 39.5 -10.8 30 30 A T >> - 0 0 56 1,-0.1 4,-2.6 -2,-0.1 3,-0.9 -0.996 38.5-111.4-140.7 147.5 21.5 39.7 -13.9 31 31 A P H 3> S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.855 119.0 50.4 -41.3 -40.8 20.0 42.5 -16.0 32 32 A A H 3> S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.831 110.2 46.3 -71.8 -40.9 16.5 41.5 -14.7 33 33 A I H <> S+ 0 0 24 -3,-0.9 4,-2.1 2,-0.2 5,-0.2 0.939 114.0 50.2 -66.1 -44.7 17.4 41.4 -11.0 34 34 A Y H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.944 111.4 46.8 -58.6 -49.4 19.2 44.7 -11.2 35 35 A A H < S+ 0 0 35 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.884 113.3 49.9 -61.9 -37.0 16.3 46.4 -13.0 36 36 A K H < S+ 0 0 114 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 121.0 32.5 -69.8 -34.7 13.8 45.0 -10.5 37 37 A L H >< S+ 0 0 7 -4,-2.1 3,-2.1 -3,-0.3 11,-0.5 0.596 87.1 96.5-102.1 -16.4 15.7 46.1 -7.4 38 38 A R T 3< S+ 0 0 0 -4,-2.1 10,-0.5 1,-0.3 11,-0.3 0.899 94.6 33.3 -48.2 -52.8 17.5 49.3 -8.3 39 39 A D T 3 S+ 0 0 13 -4,-0.4 -35,-1.2 8,-0.1 -34,-0.7 0.074 90.1 110.0 -97.3 19.7 14.9 51.7 -6.9 40 40 A K B < -A 3 0A 88 -3,-2.1 8,-0.6 -37,-0.2 2,-0.3 -0.863 53.0-162.2 -89.5 128.4 13.7 49.6 -3.9 41 41 A L B -B 47 0B 32 -39,-1.1 -39,-0.2 -2,-0.5 6,-0.2 -0.830 16.9-121.5-108.7 152.6 14.9 51.1 -0.7 42 42 A T > - 0 0 0 4,-1.7 3,-3.1 -2,-0.3 34,-0.0 -0.536 46.1 -92.1 -77.3 156.7 15.3 49.6 2.8 43 43 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.776 132.2 39.9 -34.8 -39.2 13.3 51.3 5.6 44 44 A N T 3 S- 0 0 111 -42,-0.1 92,-0.0 2,-0.0 -3,-0.0 0.391 126.3-100.3 -99.0 -5.3 16.3 53.5 6.3 45 45 A G < + 0 0 30 -3,-3.1 2,-0.2 1,-0.3 -42,-0.0 0.638 61.1 157.5 104.9 16.0 17.2 54.0 2.7 46 46 A Y - 0 0 14 3,-0.0 -4,-1.7 4,-0.0 2,-0.3 -0.537 29.8-147.5 -68.7 142.1 20.0 51.5 1.8 47 47 A S B >> -B 41 0B 8 -2,-0.2 4,-1.7 -6,-0.2 3,-1.4 -0.844 23.2-118.5-118.1 153.1 20.1 50.9 -2.0 48 48 A L H 3> S+ 0 0 0 -8,-0.6 4,-2.3 -10,-0.5 5,-0.2 0.870 115.1 61.1 -54.4 -38.1 21.0 47.9 -4.1 49 49 A D H 3> S+ 0 0 23 -11,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.835 104.0 47.9 -59.1 -35.1 23.7 50.0 -5.6 50 50 A Q H <4 S+ 0 0 83 -3,-1.4 4,-0.4 2,-0.2 3,-0.3 0.845 108.9 54.7 -76.3 -36.0 25.4 50.4 -2.2 51 51 A C H < S+ 0 0 0 -4,-1.7 19,-0.6 1,-0.2 3,-0.4 0.984 116.0 36.1 -54.2 -54.3 25.2 46.7 -1.5 52 52 A I H X S+ 0 0 1 -4,-2.3 4,-1.1 17,-0.2 -1,-0.2 0.458 90.0 98.7 -87.5 1.8 27.0 45.7 -4.6 53 53 A Q H >X S+ 0 0 78 -4,-0.6 4,-2.6 -3,-0.3 3,-2.2 0.940 80.8 48.4 -61.3 -55.7 29.4 48.6 -4.8 54 54 A T H 3> S+ 0 0 7 -4,-0.4 4,-1.7 -3,-0.4 -1,-0.2 0.879 111.8 53.2 -53.2 -34.8 32.5 46.9 -3.4 55 55 A G H 34 S+ 0 0 1 13,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.693 110.6 46.1 -73.4 -23.7 31.9 44.0 -5.7 56 56 A V H << S+ 0 0 37 -3,-2.2 -1,-0.2 -4,-1.1 -2,-0.2 0.786 116.0 45.6 -81.2 -35.0 31.8 46.3 -8.7 57 57 A D H < S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.690 114.8 49.4 -80.6 -20.9 34.9 48.1 -7.5 58 58 A N < - 0 0 22 -4,-1.7 -1,-0.2 -5,-0.3 -36,-0.1 -0.830 58.4-177.5-126.3 88.3 36.8 45.0 -6.7 59 59 A P - 0 0 52 0, 0.0 -37,-2.6 0, 0.0 -1,-0.1 0.768 36.0-156.8 -58.5 -22.7 36.7 42.4 -9.6 60 60 A G - 0 0 26 -39,-0.1 -37,-0.1 -3,-0.1 5,-0.1 -0.177 19.5 -72.0 74.4-169.9 38.7 40.1 -7.2 61 61 A H > - 0 0 111 3,-0.4 3,-1.4 -39,-0.1 -40,-0.0 -0.977 31.9-122.6-134.0 138.9 40.9 37.3 -8.4 62 62 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -39,-0.0 0.436 104.7 62.7 -71.7 11.1 39.7 34.0 -9.7 63 63 A F T 3 S+ 0 0 163 1,-0.2 2,-0.5 2,-0.0 -3,-0.0 0.806 97.4 54.6-101.5 -33.8 41.5 32.0 -7.0 64 64 A I S < S- 0 0 104 -3,-1.4 -3,-0.4 2,-0.0 2,-0.3 -0.887 80.0-123.6-111.6 129.8 39.8 33.3 -3.9 65 65 A K + 0 0 111 -2,-0.5 2,-0.4 -3,-0.1 -42,-0.1 -0.491 37.1 171.8 -64.8 116.7 36.0 33.2 -3.1 66 66 A T - 0 0 23 -2,-0.3 -42,-2.2 1,-0.1 -41,-0.2 -0.990 29.7-140.5-127.9 143.8 34.9 36.8 -2.3 67 67 A V - 0 0 9 -2,-0.4 -42,-2.2 -44,-0.2 -1,-0.1 0.956 17.6-151.2 -76.6 -51.0 31.3 37.7 -1.9 68 68 A G + 0 0 11 1,-0.3 -13,-1.0 -44,-0.2 2,-0.3 0.489 63.0 60.9 98.3 2.1 31.1 41.1 -3.6 69 69 A M - 0 0 3 -15,-0.2 2,-0.3 -14,-0.1 -1,-0.3 -0.951 58.0-155.6-151.7-178.6 28.3 42.7 -1.7 70 70 A V - 0 0 4 -19,-0.6 2,-0.5 -2,-0.3 208,-0.2 -0.890 21.4-114.5-158.1 155.4 27.4 43.8 1.8 71 71 A A - 0 0 0 206,-2.4 69,-0.2 -2,-0.3 3,-0.1 -0.939 15.8-170.0-108.5 126.8 24.3 44.5 3.9 72 72 A G S S- 0 0 0 -2,-0.5 65,-2.1 1,-0.2 68,-0.4 0.826 74.7 -0.4 -79.4 -36.4 23.8 48.0 5.1 73 73 A D S >> S- 0 0 4 63,-0.2 3,-1.5 66,-0.1 4,-0.6 -0.920 81.4 -94.5-146.7 173.4 21.0 47.1 7.4 74 74 A E T >4 S+ 0 0 40 -2,-0.3 3,-1.0 1,-0.3 4,-0.3 0.880 120.8 58.2 -62.7 -32.9 19.1 44.1 8.6 75 75 A E T >> S+ 0 0 58 1,-0.2 4,-3.5 2,-0.2 3,-1.3 0.682 86.1 78.7 -72.2 -17.2 16.4 44.7 6.1 76 76 A S H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.3 -1,-0.2 0.923 88.0 56.8 -57.2 -38.1 18.8 44.5 3.2 77 77 A Y H << S+ 0 0 4 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.714 117.9 34.3 -67.3 -17.4 18.8 40.7 3.4 78 78 A E H X4 S+ 0 0 148 -3,-1.3 3,-1.2 -4,-0.3 4,-0.2 0.845 117.2 48.7-106.8 -46.9 15.0 40.8 3.0 79 79 A V H 3< S+ 0 0 40 -4,-3.5 3,-0.3 1,-0.3 -3,-0.2 0.917 125.3 30.9 -62.7 -42.0 14.5 43.7 0.6 80 80 A F T >X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 3,-2.2 -0.041 78.8 128.1-110.1 33.7 17.2 42.5 -1.8 81 81 A A H <> + 0 0 18 -3,-1.2 4,-3.1 1,-0.3 -1,-0.2 0.873 60.3 74.4 -56.3 -33.7 16.8 38.8 -1.1 82 82 A E H 34 S+ 0 0 85 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.618 113.3 24.1 -62.0 -11.3 16.5 38.3 -4.9 83 83 A I H <> S+ 0 0 0 -3,-2.2 4,-1.6 3,-0.1 -1,-0.2 0.645 122.8 53.4-118.8 -30.8 20.2 38.9 -5.1 84 84 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 -8,-0.2 5,-0.2 0.903 101.5 59.7 -68.5 -43.5 21.4 38.0 -1.6 85 85 A D H X S+ 0 0 12 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.935 109.8 41.7 -56.2 -45.2 19.7 34.5 -1.5 86 86 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.933 113.9 52.1 -64.8 -45.3 21.7 33.3 -4.5 87 87 A V H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.913 112.0 47.2 -59.4 -37.4 25.0 34.9 -3.3 88 88 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.961 110.8 50.8 -68.8 -48.7 24.5 33.2 0.0 89 89 A K H <>S+ 0 0 80 -4,-2.5 5,-2.3 -5,-0.2 -1,-0.2 0.837 115.3 43.8 -58.1 -34.3 23.7 29.8 -1.6 90 90 A A H ><5S+ 0 0 37 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.956 114.3 49.0 -74.2 -48.5 26.9 30.1 -3.7 91 91 A R H 3<5S+ 0 0 69 -4,-3.0 2,-0.8 1,-0.3 -2,-0.2 0.909 115.6 41.5 -57.4 -53.7 29.1 31.4 -0.9 92 92 A H T ><5S- 0 0 17 -4,-3.1 3,-2.0 3,-0.2 -1,-0.3 -0.304 110.7-122.7 -95.5 56.6 28.1 28.7 1.6 93 93 A N T < 5S- 0 0 76 -3,-1.1 -3,-0.2 -2,-0.8 -2,-0.1 0.601 85.3 -4.3 -12.4 88.4 28.2 26.0 -1.1 94 94 A G T 3 > - 0 0 14 1,-0.1 4,-2.9 -3,-0.1 3,-1.5 -0.871 14.2-163.0-116.0 102.3 19.8 27.9 0.4 97 97 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.695 89.5 64.3 -57.8 -18.1 18.1 30.5 2.7 98 98 A R T 34 S+ 0 0 124 -13,-0.1 -3,-0.0 1,-0.1 -13,-0.0 0.923 120.0 17.0 -69.5 -38.2 15.0 30.2 0.6 99 99 A T T <4 S+ 0 0 97 -3,-1.5 2,-0.2 172,-0.1 -1,-0.1 0.726 116.5 65.6-113.7 -24.3 14.4 26.6 1.5 100 100 A M < - 0 0 52 -4,-2.9 2,-0.3 171,-0.1 -5,-0.0 -0.501 59.5-146.4-106.9 160.5 16.4 25.8 4.6 101 101 A K - 0 0 91 -2,-0.2 2,-0.4 171,-0.1 170,-0.2 -0.820 16.7-130.7-116.1 167.1 16.4 26.9 8.2 102 102 A H - 0 0 6 168,-3.0 2,-0.4 -2,-0.3 171,-0.2 -0.975 9.2-149.9-130.0 132.9 19.3 27.4 10.6 103 103 A H - 0 0 78 -2,-0.4 2,-0.3 235,-0.3 238,-0.1 -0.797 6.4-158.1-107.3 127.8 19.8 26.1 14.1 104 104 A T + 0 0 47 -2,-0.4 2,-0.2 236,-0.2 236,-0.1 -0.857 13.4 176.1-101.5 148.2 21.8 27.9 16.7 105 105 A D + 0 0 35 -2,-0.3 237,-1.3 1,-0.0 238,-0.1 -0.733 14.5 169.2-159.8 93.3 23.2 25.9 19.7 106 106 A L + 0 0 21 -2,-0.2 2,-1.4 235,-0.1 147,-0.1 -0.028 34.5 129.5-106.5 35.9 25.5 27.5 22.3 107 107 A D > + 0 0 58 1,-0.2 3,-0.8 2,-0.0 4,-0.2 -0.620 31.1 179.7 -87.6 86.2 25.4 24.7 24.8 108 108 A A G > S+ 0 0 5 -2,-1.4 3,-0.7 1,-0.2 138,-0.2 0.482 71.6 76.8 -72.1 -5.8 29.1 24.3 25.4 109 109 A S G 3 S+ 0 0 73 1,-0.2 -1,-0.2 137,-0.1 137,-0.1 0.995 83.1 68.8 -58.6 -50.7 28.4 21.5 27.9 110 110 A K G < S+ 0 0 112 -3,-0.8 -1,-0.2 2,-0.0 -2,-0.2 0.451 80.2 95.1 -48.2 -19.7 27.8 19.3 24.9 111 111 A I < + 0 0 6 -3,-0.7 232,-0.0 -4,-0.2 231,-0.0 -0.503 46.9 175.3 -81.2 154.9 31.4 19.3 23.7 112 112 A T + 0 0 91 -2,-0.2 2,-1.0 234,-0.0 -1,-0.1 0.750 60.2 45.4-119.8 -75.4 33.8 16.5 24.7 113 113 A H + 0 0 131 1,-0.2 2,-1.5 233,-0.1 128,-0.2 0.095 65.6 136.0 -82.4 40.3 37.4 16.1 23.5 114 114 A G + 0 0 1 -2,-1.0 128,-1.6 1,-0.2 129,-0.5 -0.014 42.3 89.4 -84.7 39.1 38.4 19.7 24.0 115 115 A Q - 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0 0 36 -3,-1.7 2,-0.2 5,-0.1 39,-0.2 -0.657 39.2-178.5 -99.4 141.0 8.9 46.2 38.9 1165 22 D N B +k 1203 0P 35 37,-2.7 39,-0.5 -2,-0.3 44,-0.5 -0.762 41.4 113.4-133.7 82.8 6.3 43.6 39.7 1166 23 D N S > S- 0 0 0 -2,-0.2 4,-2.8 42,-0.2 44,-0.2 -0.944 77.4-105.9-139.0 158.6 3.2 44.4 37.8 1167 24 D C H > S+ 0 0 12 42,-2.8 4,-1.5 -2,-0.3 44,-0.2 0.876 119.4 53.4 -55.9 -30.6 1.5 42.4 35.1 1168 25 D M H >> S+ 0 0 0 42,-2.5 4,-2.3 41,-0.3 3,-0.8 0.971 112.5 41.4 -63.7 -59.7 2.7 44.9 32.5 1169 26 D A H 34 S+ 0 0 15 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.888 113.4 56.5 -55.2 -35.9 6.4 44.8 33.5 1170 27 D E H 3< S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.829 117.5 32.0 -70.3 -26.0 6.0 41.0 33.9 1171 28 D C H << S+ 0 0 31 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.624 92.0 102.7-111.2 -15.3 4.8 40.6 30.3 1172 29 D L < - 0 0 10 -4,-2.3 3,-0.1 -5,-0.2 54,-0.1 -0.405 47.3-173.5 -72.5 145.7 6.6 43.3 28.3 1173 30 D T >> - 0 0 56 -2,-0.1 4,-2.6 1,-0.1 3,-0.7 -0.990 38.6-110.9-140.6 147.8 9.5 42.3 26.1 1174 31 D P H 3> S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.857 119.2 50.5 -43.2 -39.7 12.1 44.3 24.0 1175 32 D A H 3> S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.857 110.2 45.6 -69.5 -45.5 10.5 42.9 20.9 1176 33 D I H <> S+ 0 0 26 -3,-0.7 4,-2.1 2,-0.2 5,-0.2 0.934 114.2 50.8 -63.4 -43.4 6.9 43.7 21.7 1177 34 D Y H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.944 111.6 46.4 -60.7 -47.4 7.9 47.2 22.8 1178 35 D A H < S+ 0 0 35 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.2 0.902 113.2 50.3 -63.0 -38.8 9.9 47.8 19.6 1179 36 D K H < S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 120.7 32.1 -68.2 -34.5 7.0 46.5 17.5 1180 37 D L H >< S+ 0 0 7 -4,-2.1 3,-2.0 -3,-0.2 11,-0.5 0.590 86.8 96.8-103.1 -14.7 4.3 48.6 19.1 1181 38 D R T 3< S+ 0 0 0 -4,-2.0 10,-0.5 1,-0.3 11,-0.3 0.903 94.5 33.8 -49.6 -52.6 6.0 51.9 20.1 1182 39 D D T 3 S+ 0 0 16 -4,-0.4 -35,-1.4 8,-0.1 2,-0.5 0.078 90.0 109.5 -97.5 21.0 5.0 53.9 17.0 1183 40 D K B < -J 1146 0O 62 -3,-2.0 8,-0.6 -37,-0.2 2,-0.3 -0.858 53.3-162.3 -89.7 128.9 1.6 52.3 16.4 1184 41 D L B -L 1190 0Q 24 -39,-1.8 -39,-0.3 -2,-0.5 6,-0.2 -0.855 17.2-121.1-109.8 152.4 -1.2 54.7 17.2 1185 42 D T > - 0 0 1 4,-1.7 3,-2.8 -2,-0.3 34,-0.0 -0.510 46.1 -92.5 -77.7 157.3 -4.9 54.2 17.8 1186 43 D P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.759 132.0 39.7 -35.9 -38.0 -7.3 56.0 15.5 1187 44 D N T 3 S- 0 0 112 2,-0.1 92,-0.0 0, 0.0 -3,-0.0 0.402 126.6 -99.9 -98.8 -6.4 -7.4 58.9 18.0 1188 45 D G < + 0 0 33 -3,-2.8 2,-0.2 1,-0.3 -5,-0.0 0.637 61.1 157.5 105.8 16.4 -3.7 58.7 18.8 1189 46 D Y - 0 0 13 4,-0.0 -4,-1.7 3,-0.0 2,-0.3 -0.560 29.7-147.9 -69.7 142.7 -3.2 56.8 22.0 1190 47 D S B >> -L 1184 0Q 7 -2,-0.2 4,-1.7 -6,-0.2 3,-1.5 -0.842 23.4-118.0-117.7 153.3 0.3 55.4 22.2 1191 48 D L H 3> S+ 0 0 0 -8,-0.6 4,-2.4 -10,-0.5 5,-0.2 0.860 115.2 60.3 -54.2 -36.8 1.7 52.2 23.8 1192 49 D D H 3> S+ 0 0 15 -11,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.829 104.2 48.3 -62.1 -34.2 3.8 54.5 26.0 1193 50 D Q H <4 S+ 0 0 83 -3,-1.5 4,-0.4 2,-0.2 3,-0.3 0.836 108.8 54.4 -76.2 -35.8 0.7 56.1 27.5 1194 51 D C H < S+ 0 0 0 -4,-1.7 19,-0.6 1,-0.2 3,-0.3 0.984 116.3 36.4 -54.6 -54.4 -0.9 52.7 28.1 1195 52 D I H X S+ 0 0 1 -4,-2.4 4,-1.1 17,-0.2 5,-0.2 0.461 89.7 98.6 -85.8 1.6 2.1 51.4 30.1 1196 53 D Q H >X S+ 0 0 77 -4,-0.5 4,-2.7 -3,-0.3 3,-2.4 0.942 81.1 48.5 -61.0 -54.9 3.0 54.6 31.9 1197 54 D T H 3> S+ 0 0 7 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.876 111.7 53.5 -53.5 -34.5 1.3 54.0 35.3 1198 55 D G H 34 S+ 0 0 1 13,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.672 110.7 45.4 -73.1 -22.4 3.0 50.6 35.3 1199 56 D V H << S+ 0 0 38 -3,-2.4 -1,-0.2 -4,-1.1 -2,-0.2 0.797 116.3 46.1 -84.8 -35.1 6.4 52.1 34.7 1200 57 D D H < S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.665 112.4 53.2 -79.0 -21.1 5.8 54.8 37.3 1201 58 D N < - 0 0 21 -4,-1.6 -1,-0.2 -5,-0.3 -36,-0.1 -0.834 59.9-173.5-125.5 96.4 4.4 52.4 39.9 1202 59 D P - 0 0 58 0, 0.0 -37,-2.7 0, 0.0 -1,-0.1 0.765 31.1-165.0 -65.2 -24.2 6.7 49.4 40.6 1203 60 D G B -k 1165 0P 43 -39,-0.2 -37,-0.1 -3,-0.1 5,-0.1 -0.442 21.7 -67.4 79.2-151.3 4.0 47.9 42.8 1204 61 D H - 0 0 93 3,-0.8 5,-0.1 -39,-0.5 -40,-0.0 -0.970 23.5-127.4-141.4 152.2 4.5 45.1 45.2 1205 62 D P S S+ 0 0 84 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.928 108.4 46.9 -61.6 -44.7 5.4 41.4 45.0 1206 63 D F S S+ 0 0 187 1,-0.3 2,-0.7 -3,-0.1 -3,-0.0 0.927 122.5 30.1 -71.1 -51.2 2.5 40.3 47.2 1207 64 D I S S- 0 0 129 -42,-0.0 -3,-0.8 -41,-0.0 2,-0.3 -0.955 80.7-166.7-108.3 106.7 -0.2 42.3 45.6 1208 65 D K - 0 0 68 -2,-0.7 2,-0.2 -3,-0.2 -42,-0.2 -0.692 4.6-151.9 -85.8 149.8 0.5 42.8 41.9 1209 66 D T - 0 0 40 -44,-0.5 -42,-2.8 -2,-0.3 -41,-0.3 -0.686 27.2-108.0-113.6 169.5 -1.4 45.3 39.8 1210 67 D V - 0 0 8 -2,-0.2 -42,-2.5 -44,-0.2 -41,-0.1 0.984 37.5-151.9 -69.2 -52.0 -2.1 45.3 36.1 1211 68 D G + 0 0 10 1,-0.3 -13,-1.1 -44,-0.2 2,-0.3 0.480 60.1 60.8 99.7 2.9 0.3 48.1 35.2 1212 69 D M - 0 0 2 -15,-0.2 -1,-0.3 -14,-0.1 2,-0.3 -0.953 57.8-154.9-153.6-179.6 -1.4 49.5 32.1 1213 70 D V - 0 0 4 -19,-0.6 2,-0.5 -2,-0.3 208,-0.2 -0.890 21.4-114.5-157.8 155.4 -4.6 51.1 31.0 1214 71 D A - 0 0 0 206,-2.3 69,-0.2 -2,-0.3 3,-0.1 -0.944 15.5-169.8-108.4 126.3 -6.7 51.6 27.8 1215 72 D G S S- 0 0 0 -2,-0.5 65,-2.1 1,-0.2 68,-0.4 0.827 75.2 -1.3 -77.8 -36.8 -7.0 55.1 26.5 1216 73 D D S >> S- 0 0 3 63,-0.2 3,-1.7 66,-0.1 4,-0.5 -0.935 81.5 -94.1-147.9 171.4 -9.7 54.1 24.0 1217 74 D E T >4 S+ 0 0 40 -2,-0.3 3,-1.0 1,-0.3 4,-0.3 0.867 120.5 58.8 -60.0 -34.8 -11.6 51.1 22.8 1218 75 D E T >> S+ 0 0 61 1,-0.2 4,-3.5 2,-0.2 3,-1.4 0.702 86.3 78.7 -71.1 -16.8 -9.1 50.5 20.0 1219 76 D S H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.922 88.2 56.4 -58.5 -36.9 -6.2 50.2 22.5 1220 77 D Y H << S+ 0 0 3 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.728 117.9 34.7 -68.0 -18.8 -7.3 46.7 23.3 1221 78 D E H X4 S+ 0 0 146 -3,-1.4 3,-1.3 -4,-0.3 4,-0.2 0.858 117.2 48.4-104.6 -48.5 -7.0 45.8 19.6 1222 79 D V H 3< S+ 0 0 40 -4,-3.5 3,-0.3 1,-0.3 -3,-0.2 0.902 125.3 31.0 -60.7 -42.4 -4.1 48.0 18.4 1223 80 D F T >X S+ 0 0 0 -4,-2.4 3,-2.4 -5,-0.3 4,-2.2 0.008 78.7 128.0-109.7 33.6 -1.9 46.9 21.3 1224 81 D A H <> + 0 0 18 -3,-1.3 4,-3.0 1,-0.3 -1,-0.2 0.863 60.2 74.7 -56.9 -32.6 -3.3 43.4 21.7 1225 82 D E H 34 S+ 0 0 87 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.620 113.0 24.2 -63.1 -10.0 0.2 42.0 21.6 1226 83 D I H <> S+ 0 0 0 -3,-2.4 4,-1.6 -6,-0.1 -1,-0.2 0.647 122.5 53.1-120.3 -31.9 0.7 43.3 25.1 1227 84 D F H X S+ 0 0 0 -4,-2.2 4,-2.9 -8,-0.2 5,-0.2 0.896 101.3 60.4 -67.5 -42.9 -2.8 43.5 26.4 1228 85 D D H X S+ 0 0 12 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.936 109.8 41.2 -56.6 -45.8 -3.8 39.8 25.6 1229 86 D P H > S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.936 114.0 52.1 -64.4 -45.5 -1.0 38.4 27.8 1230 87 D V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.915 112.1 47.5 -59.6 -37.6 -1.6 40.9 30.6 1231 88 D I H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.963 110.6 50.7 -68.1 -47.8 -5.3 40.0 30.5 1232 89 D K H <>S+ 0 0 81 -4,-2.4 5,-2.2 -5,-0.2 -1,-0.2 0.821 114.3 45.9 -59.5 -34.0 -4.5 36.3 30.5 1233 90 D A H ><5S+ 0 0 39 -4,-2.5 3,-1.1 3,-0.2 -1,-0.2 0.952 114.0 45.6 -73.7 -49.5 -2.2 36.8 33.5 1234 91 D R H 3<5S+ 0 0 82 -4,-2.9 2,-0.3 1,-0.3 -2,-0.2 0.876 116.4 44.2 -66.8 -38.7 -4.6 39.0 35.5 1235 92 D H T ><5S- 0 0 12 -4,-3.0 3,-2.0 3,-0.2 -1,-0.3 -0.228 110.1-125.8 -99.8 55.0 -7.6 36.8 35.0 1236 93 D N T < 5S- 0 0 95 -3,-1.1 -3,-0.2 -2,-0.3 2,-0.1 0.615 84.0 -3.3 -11.9 88.6 -5.6 33.7 35.7 1237 94 D G T 3 > - 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