==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-07 2Z1J . COMPND 2 MOLECULE: RIBONUCLEASE HI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.J.YOU,S.FUKUCHI,K.NISHIKAWA,Y.KOGA,K.TAKANO,S.KANAYA . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 11 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 1 0 1 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 1 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 0 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 1 A M 0 0 240 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.2 25.9 76.0 3.2 2 2 A L - 0 0 74 1,-0.1 2,-0.4 61,-0.1 61,-0.1 -0.115 360.0 -89.9 -62.5 162.8 24.8 72.4 3.0 3 3 A K E -a 63 0A 69 59,-0.6 61,-3.2 1,-0.0 2,-0.6 -0.618 39.8-145.2 -76.8 128.6 21.1 71.5 2.6 4 4 A R E +a 64 0A 126 -2,-0.4 2,-0.4 59,-0.2 25,-0.3 -0.855 22.5 179.0 -99.0 124.7 19.4 71.1 6.0 5 5 A V E -a 65 0A 8 59,-3.2 61,-2.2 -2,-0.6 2,-0.5 -0.977 20.2-148.6-130.9 140.0 16.8 68.4 6.3 6 6 A E E -aB 66 27A 64 21,-2.3 21,-2.4 -2,-0.4 2,-0.4 -0.885 16.1-168.5-105.1 132.0 14.6 67.1 9.1 7 7 A I E -aB 67 26A 0 59,-2.4 61,-3.1 -2,-0.5 2,-0.4 -0.977 5.6-173.8-125.0 133.7 13.5 63.5 9.1 8 8 A F E +aB 68 25A 16 17,-1.9 17,-2.7 -2,-0.4 2,-0.3 -0.966 13.3 178.7-124.0 140.5 10.9 61.9 11.3 9 9 A T E + B 0 24A 0 59,-1.5 61,-0.5 -2,-0.4 2,-0.3 -0.943 15.5 154.2-143.2 162.3 10.2 58.2 11.4 10 10 A D E + B 0 23A 12 13,-1.4 13,-2.9 -2,-0.3 2,-0.3 -0.900 9.7 174.8-176.5 157.7 8.1 55.5 13.0 11 11 A G E + B 0 22A 1 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.957 7.5 147.4-169.7 155.3 6.9 52.0 12.0 12 12 A S E - B 0 21A 32 9,-2.0 9,-2.3 -2,-0.3 2,-0.2 -0.969 39.0 -94.6-178.9 172.4 5.1 49.0 13.5 13 13 A C E - B 0 20A 15 -2,-0.3 3,-0.3 7,-0.3 7,-0.3 -0.685 23.1-130.0-102.0 156.5 2.7 46.1 12.8 14 14 A L S S+ 0 0 81 5,-2.7 2,-0.3 1,-0.4 -1,-0.1 0.894 110.9 4.9 -67.4 -35.6 -1.0 46.0 13.2 15 15 A G S S- 0 0 37 4,-0.7 -1,-0.4 -3,-0.1 -3,-0.0 -0.944 102.6-101.4-148.7 120.2 -0.1 42.8 15.1 16 16 A N S S+ 0 0 91 -2,-0.3 27,-0.1 -3,-0.3 2,-0.1 -0.789 108.5 25.5 -95.3 123.0 3.5 41.9 15.7 17 17 A P S S+ 0 0 59 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.619 119.2 52.7 -85.4 155.8 4.6 39.8 13.9 18 18 A G E S+ C 0 42A 5 24,-2.1 24,-2.2 -2,-0.1 21,-0.1 -0.990 93.4 11.2 156.4-155.5 2.3 40.3 10.9 19 19 A P E S+ 0 0 54 0, 0.0 -5,-2.7 0, 0.0 -4,-0.7 -0.284 74.3 163.2 -53.6 130.1 1.1 43.1 8.5 20 20 A G E -BC 13 39A 0 19,-2.2 19,-3.5 -7,-0.3 2,-0.3 -0.932 20.3-175.4-146.9 169.7 3.2 46.1 9.1 21 21 A G E -BC 12 38A 0 -9,-2.3 -9,-2.0 -2,-0.3 2,-0.3 -0.969 15.7-130.6-157.5 171.5 4.3 49.4 7.7 22 22 A Y E -BC 11 37A 20 15,-1.8 15,-0.9 -2,-0.3 2,-0.4 -0.868 11.1-160.5-127.0 162.9 6.6 52.4 8.1 23 23 A G E +BC 10 36A 0 -13,-2.9 -13,-1.4 -2,-0.3 2,-0.3 -0.985 12.7 172.0-145.3 131.5 6.1 56.2 8.0 24 24 A A E -BC 9 35A 0 11,-2.3 11,-1.7 -2,-0.4 2,-0.4 -0.973 16.1-153.4-138.8 154.8 8.6 58.9 7.5 25 25 A I E -BC 8 34A 1 -17,-2.7 -17,-1.9 -2,-0.3 2,-0.5 -0.991 3.5-165.8-132.7 126.0 8.5 62.7 7.0 26 26 A L E -BC 7 33A 19 7,-2.1 7,-2.1 -2,-0.4 2,-0.4 -0.948 10.6-172.2-109.8 127.6 11.1 64.8 5.2 27 27 A R E +BC 6 32A 43 -21,-2.4 -21,-2.3 -2,-0.5 2,-0.3 -0.980 11.8 162.4-124.2 132.8 10.9 68.5 5.7 28 28 A Y E > S- C 0 31A 96 3,-2.5 3,-2.0 -2,-0.4 -23,-0.1 -0.963 70.2 -7.6-150.4 128.0 12.9 71.1 3.9 29 29 A R T 3 S- 0 0 198 -25,-0.3 3,-0.1 -2,-0.3 -24,-0.1 0.878 129.9 -53.1 52.7 43.4 12.3 74.8 3.5 30 30 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.548 115.4 117.2 72.4 6.3 8.9 74.5 5.2 31 31 A R E < -C 28 0A 199 -3,-2.0 -3,-2.5 2,-0.0 2,-0.3 -0.885 48.5-156.1-110.5 139.5 7.8 71.8 2.8 32 32 A E E -C 27 0A 84 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.878 6.5-165.5-117.1 147.1 7.0 68.2 3.8 33 33 A K E -C 26 0A 134 -7,-2.1 -7,-2.1 -2,-0.3 2,-0.2 -0.998 16.5-137.5-132.9 128.6 7.0 64.9 1.9 34 34 A T E -C 25 0A 76 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.585 16.2-172.2 -87.1 145.2 5.3 61.7 3.1 35 35 A F E +C 24 0A 33 -11,-1.7 -11,-2.3 -2,-0.2 2,-0.3 -0.999 18.6 144.6-137.2 131.0 6.9 58.3 2.9 36 36 A S E +C 23 0A 55 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.971 13.2 168.4-166.3 150.5 5.1 55.0 3.7 37 37 A A E -C 22 0A 16 -15,-0.9 -15,-1.8 -2,-0.3 2,-0.3 -0.966 20.2-139.1-161.2 151.9 4.8 51.4 2.6 38 38 A G E -C 21 0A 4 -2,-0.3 108,-2.2 -17,-0.2 107,-1.0 -0.911 8.4-152.9-121.2 149.1 3.2 48.2 4.0 39 39 A Y E -Cd 20 146A 20 -19,-3.5 -19,-2.2 -2,-0.3 3,-0.2 -0.950 20.8-132.0-121.6 140.5 4.4 44.6 4.2 40 40 A E E S+ 0 0 110 106,-2.2 2,-0.3 -2,-0.4 107,-0.1 0.893 96.0 5.9 -53.3 -44.4 2.4 41.4 4.3 41 41 A R E S+ 0 0 127 105,-0.2 107,-0.4 -22,-0.1 -1,-0.2 -0.934 84.0 116.7-149.8 122.0 4.5 40.1 7.1 42 42 A T E -C 18 0A 0 -24,-2.2 -24,-2.1 -2,-0.3 2,-0.3 -0.817 49.3 -96.3-158.8-165.4 7.2 41.7 9.2 43 43 A T > - 0 0 24 -2,-0.2 4,-2.1 -26,-0.2 5,-0.2 -0.848 27.9-113.4-127.5 164.3 8.1 42.9 12.7 44 44 A N H > S+ 0 0 45 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.957 116.4 53.3 -60.5 -49.5 7.9 46.2 14.6 45 45 A N H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.875 109.1 47.8 -52.5 -45.4 11.7 46.3 14.8 46 46 A R H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.909 112.5 48.7 -65.7 -40.5 12.2 45.9 11.1 47 47 A M H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.854 108.3 54.7 -67.6 -33.6 9.5 48.6 10.4 48 48 A E H X S+ 0 0 34 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.876 114.8 40.4 -66.3 -35.3 11.3 50.9 12.9 49 49 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.883 111.2 55.8 -78.5 -42.5 14.5 50.4 10.9 50 50 A M H X S+ 0 0 6 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.879 100.3 59.9 -58.4 -41.2 13.0 50.6 7.5 51 51 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.938 110.5 40.9 -53.8 -49.9 11.4 54.0 8.2 52 52 A A H X S+ 0 0 0 -4,-0.9 4,-2.4 2,-0.2 5,-0.2 0.918 114.5 52.7 -65.8 -44.2 14.8 55.5 8.8 53 53 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.946 111.5 44.4 -57.1 -52.4 16.5 53.6 5.9 54 54 A V H X S+ 0 0 25 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.912 112.2 52.1 -62.1 -43.5 13.9 54.7 3.3 55 55 A A H >X S+ 0 0 0 -4,-1.9 3,-0.6 -5,-0.3 4,-0.6 0.935 114.6 42.9 -58.7 -46.9 13.9 58.4 4.5 56 56 A L H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.896 109.3 55.7 -68.3 -39.8 17.7 58.5 4.2 57 57 A E H 3< S+ 0 0 63 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.679 97.3 68.5 -68.0 -12.8 17.9 56.7 0.9 58 58 A A H << S+ 0 0 33 -4,-1.0 2,-0.3 -3,-0.6 -1,-0.2 0.803 74.8 98.1 -74.4 -29.6 15.5 59.4 -0.5 59 59 A L << - 0 0 23 -3,-1.2 4,-0.1 -4,-0.6 -3,-0.0 -0.452 56.3-166.3 -64.2 119.3 18.1 62.1 -0.2 60 60 A K + 0 0 203 -2,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.524 69.2 31.5 -85.2 -6.3 19.7 62.6 -3.6 61 61 A E S S- 0 0 102 -58,-0.0 2,-0.4 0, 0.0 52,-0.0 -0.946 101.1 -74.7-145.2 165.6 22.6 64.7 -2.4 62 62 A H + 0 0 94 -2,-0.3 -59,-0.6 52,-0.1 2,-0.2 -0.486 62.3 171.1 -64.8 118.0 24.8 65.1 0.7 63 63 A C E -a 3 0A 5 -2,-0.4 52,-2.1 50,-0.3 2,-0.6 -0.744 41.9-112.8-124.1 170.8 22.7 66.8 3.4 64 64 A E E -ae 4 115A 35 -61,-3.2 -59,-3.2 -2,-0.2 2,-0.4 -0.953 45.2-162.7-103.4 118.9 22.8 67.8 7.0 65 65 A V E -ae 5 116A 2 50,-3.0 52,-2.9 -2,-0.6 2,-0.6 -0.859 24.9-163.2-112.4 142.7 20.1 65.6 8.6 66 66 A I E -ae 6 117A 41 -61,-2.2 -59,-2.4 -2,-0.4 2,-0.6 -0.907 21.3-166.7-120.5 96.5 18.3 65.9 11.9 67 67 A L E -ae 7 118A 0 50,-1.1 52,-3.1 -2,-0.6 2,-0.5 -0.788 3.8-169.6 -93.5 121.3 16.7 62.5 12.4 68 68 A S E +ae 8 119A 3 -61,-3.1 -59,-1.5 -2,-0.6 2,-0.3 -0.941 18.1 149.2-114.5 122.8 14.1 62.2 15.1 69 69 A T E - e 0 120A 2 50,-1.7 52,-1.8 -2,-0.5 -59,-0.1 -0.994 42.0-148.7-150.6 149.2 12.7 58.8 16.2 70 70 A D + 0 0 38 -61,-0.5 2,-0.8 -2,-0.3 3,-0.1 0.185 58.4 128.4-101.4 13.7 11.3 57.3 19.4 71 71 A S > - 0 0 2 1,-0.2 4,-2.7 -23,-0.1 5,-0.1 -0.624 41.2-169.3 -76.8 108.9 12.7 53.8 18.4 72 72 A H H > S+ 0 0 124 -2,-0.8 4,-2.9 1,-0.2 5,-0.3 0.862 90.0 58.8 -62.5 -35.1 14.7 52.4 21.3 73 73 A Y H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.950 109.2 40.9 -58.5 -53.5 15.8 49.7 18.9 74 74 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.915 114.2 54.5 -62.6 -43.5 17.3 52.3 16.5 75 75 A R H X S+ 0 0 76 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.968 110.5 43.9 -54.3 -58.8 18.7 54.3 19.3 76 76 A K H X>S+ 0 0 57 -4,-2.9 4,-2.5 1,-0.2 5,-1.4 0.899 113.3 53.1 -53.9 -44.9 20.6 51.3 20.8 77 77 A G H <>S+ 0 0 0 -4,-2.2 5,-1.0 -5,-0.3 6,-0.4 0.939 115.3 38.2 -58.0 -50.4 21.8 50.2 17.4 78 78 A I H <5S+ 0 0 36 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.909 122.8 41.7 -70.9 -38.6 23.3 53.6 16.5 79 79 A T H <5S- 0 0 69 -4,-3.2 -2,-0.2 -5,-0.3 -3,-0.2 0.849 137.2 -9.4 -75.0 -35.4 24.7 54.4 20.0 80 80 A E T >X5S+ 0 0 82 -4,-2.5 4,-0.9 -5,-0.3 3,-0.7 0.667 120.4 52.9-128.1 -67.9 26.1 51.0 21.0 81 81 A W H >> S+ 0 0 116 -3,-0.7 4,-1.0 -6,-0.4 -1,-0.3 0.942 114.2 37.0 -55.8 -52.4 30.0 49.6 16.5 84 84 A N H << S+ 0 0 69 -3,-1.5 4,-0.4 -4,-0.9 7,-0.2 0.860 112.4 59.7 -70.0 -36.3 30.7 46.3 18.1 85 85 A W H ><>S+ 0 0 27 -4,-1.9 5,-2.5 1,-0.2 3,-1.5 0.918 103.8 49.8 -59.0 -45.7 28.8 44.3 15.5 86 86 A K H ><5S+ 0 0 102 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.827 103.7 60.5 -64.3 -30.5 31.0 45.6 12.7 87 87 A K T 3<5S+ 0 0 142 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.547 109.7 43.5 -73.7 -6.1 34.1 44.6 14.7 88 88 A R T < 5S- 0 0 122 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 -0.025 125.6 -93.8-127.8 29.6 33.0 41.0 14.7 89 89 A G T < 5S- 0 0 61 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.907 88.3 -51.1 58.5 42.0 31.9 40.7 11.1 90 90 A W S - 0 0 76 4,-2.5 3,-0.9 -2,-0.3 6,-0.1 -0.092 35.9-100.8 -72.7 176.8 27.0 39.4 18.6 93 93 A A T 3 S+ 0 0 72 1,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.826 120.7 59.2 -69.3 -29.5 29.3 38.5 21.6 94 94 A D T 3 S- 0 0 93 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.209 122.7-102.5-103.7 33.9 27.6 35.1 22.1 95 95 A K S < S+ 0 0 150 -3,-0.9 -2,-0.1 1,-0.2 -1,-0.1 0.274 80.3 136.0 81.8 7.0 28.6 34.1 18.5 96 96 A K - 0 0 104 1,-0.1 -4,-2.5 -5,-0.1 -1,-0.2 -0.607 60.4-100.3 -99.0 139.4 25.2 34.7 17.3 97 97 A P B -F 91 0B 100 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.088 38.5-108.5 -68.9 143.3 24.1 36.4 14.1 98 98 A V > - 0 0 7 -8,-1.2 3,-1.0 -13,-0.1 6,-0.1 -0.553 39.3-121.2 -68.5 121.9 23.0 40.0 14.3 99 99 A K T 3 S+ 0 0 154 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 -0.381 92.1 10.3 -65.9 144.2 19.2 40.0 13.8 100 100 A N T 3> S+ 0 0 23 50,-0.2 4,-2.4 1,-0.1 3,-0.4 0.845 77.1 158.0 53.8 39.0 18.0 42.0 10.7 101 101 A V H <> + 0 0 49 -3,-1.0 4,-2.4 1,-0.2 5,-0.3 0.815 66.2 64.8 -61.2 -29.7 21.6 42.5 9.6 102 102 A D H > S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.936 108.7 37.9 -60.4 -44.8 20.2 43.1 6.1 103 103 A L H > S+ 0 0 2 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.931 113.4 55.2 -72.8 -45.7 18.5 46.3 7.3 104 104 A W H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.901 109.2 47.4 -54.5 -43.9 21.3 47.4 9.7 105 105 A K H X S+ 0 0 107 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.938 111.5 51.4 -62.4 -45.4 23.8 47.3 6.9 106 106 A R H X S+ 0 0 105 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.912 113.2 44.9 -57.3 -44.5 21.5 49.2 4.6 107 107 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.961 111.0 52.4 -64.8 -52.4 21.0 51.9 7.3 108 108 A D H X S+ 0 0 45 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.906 109.7 50.6 -50.2 -45.4 24.7 52.1 8.1 109 109 A A H < S+ 0 0 50 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.903 111.7 47.5 -61.0 -42.1 25.4 52.7 4.4 110 110 A A H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.897 106.6 56.5 -67.5 -41.2 22.8 55.4 4.3 111 111 A L H >< S+ 0 0 27 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.884 99.6 60.9 -57.8 -40.8 24.1 57.2 7.4 112 112 A G T 3< S+ 0 0 69 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.637 93.9 64.1 -63.8 -14.8 27.6 57.5 5.9 113 113 A R T < S+ 0 0 115 -3,-1.5 2,-0.3 -4,-0.4 -50,-0.3 0.441 107.8 38.8 -89.3 1.1 26.3 59.6 3.0 114 114 A H S < S- 0 0 16 -3,-1.8 2,-0.8 -4,-0.2 -50,-0.2 -0.932 81.4-109.4-145.6 166.5 25.2 62.5 5.3 115 115 A K E -e 64 0A 135 -52,-2.1 -50,-3.0 -2,-0.3 2,-0.4 -0.894 49.3-167.1 -97.7 110.1 26.1 64.5 8.4 116 116 A I E -e 65 0A 37 -2,-0.8 2,-0.6 -52,-0.2 -50,-0.2 -0.866 25.1-166.6-112.8 136.4 23.4 63.3 10.8 117 117 A K E -e 66 0A 126 -52,-2.9 -50,-1.1 -2,-0.4 2,-0.3 -0.956 24.1-145.6-115.2 108.6 22.3 64.7 14.2 118 118 A W E -e 67 0A 50 -2,-0.6 2,-0.5 -52,-0.2 -50,-0.2 -0.562 11.3-165.6 -78.9 137.7 20.2 62.0 16.0 119 119 A E E -e 68 0A 83 -52,-3.1 -50,-1.7 -2,-0.3 2,-0.7 -0.910 5.0-160.0-126.5 101.0 17.3 63.1 18.1 120 120 A W E -e 69 0A 83 -2,-0.5 2,-0.3 -52,-0.2 -50,-0.2 -0.730 15.3-163.5 -82.8 112.6 16.0 60.4 20.4 121 121 A V - 0 0 14 -52,-1.8 3,-0.1 -2,-0.7 6,-0.0 -0.708 23.7-131.0-100.0 152.7 12.5 61.4 21.5 122 122 A K - 0 0 201 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.918 69.3 -65.5 -65.1 -46.3 10.5 59.9 24.3 123 123 A G - 0 0 14 2,-0.3 -1,-0.2 -52,-0.0 7,-0.1 -0.913 67.3 -50.6-176.2-157.8 7.3 59.2 22.3 124 124 A H S > S+ 0 0 49 -2,-0.3 3,-2.6 6,-0.1 2,-0.4 0.798 97.8 99.4 -71.6 -31.4 4.4 60.8 20.4 125 125 A A T 3 S+ 0 0 92 1,-0.3 -2,-0.3 6,-0.0 -3,-0.1 -0.437 101.8 5.1 -60.8 115.4 3.6 63.2 23.2 126 126 A G T 3 S+ 0 0 70 -2,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.579 116.1 90.5 84.2 10.1 5.1 66.5 22.3 127 127 A H <> + 0 0 47 -3,-2.6 4,-1.7 1,-0.1 3,-0.3 -0.626 46.5 173.1-140.5 77.4 6.2 65.2 18.9 128 128 A P H > S+ 0 0 84 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.883 78.0 52.9 -51.2 -50.3 3.5 65.7 16.2 129 129 A E H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.878 108.2 50.3 -59.6 -39.4 5.5 64.6 13.2 130 130 A N H > S+ 0 0 0 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.883 109.7 50.4 -67.7 -36.2 6.4 61.2 14.8 131 131 A E H X S+ 0 0 99 -4,-1.7 4,-1.3 -7,-0.3 -1,-0.2 0.850 109.8 52.0 -68.6 -31.5 2.8 60.6 15.7 132 132 A R H X S+ 0 0 96 -4,-1.9 4,-2.5 2,-0.2 3,-0.2 0.901 105.2 54.1 -70.2 -41.0 1.9 61.4 12.1 133 133 A C H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.891 105.6 54.5 -58.8 -38.9 4.5 58.9 10.9 134 134 A D H X S+ 0 0 52 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.853 108.0 48.9 -63.6 -35.1 2.8 56.3 13.1 135 135 A E H X S+ 0 0 135 -4,-1.3 4,-2.5 -3,-0.2 -2,-0.2 0.901 109.4 51.0 -72.1 -41.2 -0.5 57.0 11.4 136 136 A L H X S+ 0 0 38 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.900 110.0 52.3 -61.2 -38.6 1.1 56.7 7.9 137 137 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.952 109.0 48.5 -61.3 -50.2 2.5 53.4 9.1 138 138 A R H X S+ 0 0 143 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.921 109.7 51.1 -56.8 -49.5 -0.9 52.1 10.2 139 139 A A H X S+ 0 0 62 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.926 114.0 45.0 -55.1 -46.5 -2.6 53.1 6.9 140 140 A A H >< S+ 0 0 14 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.904 110.2 53.6 -64.6 -42.9 0.1 51.3 5.0 141 141 A A H 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 101.9 61.0 -63.4 -27.3 -0.1 48.2 7.2 142 142 A M H 3< S+ 0 0 104 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.748 121.6 21.9 -70.7 -26.9 -3.9 48.0 6.6 143 143 A K S << S- 0 0 152 -3,-1.0 -1,-0.3 -4,-0.7 -105,-0.2 -0.466 84.9-174.9-139.6 64.7 -3.2 47.5 2.9 144 144 A P + 0 0 41 0, 0.0 -105,-0.2 0, 0.0 -3,-0.1 -0.347 13.0 175.5 -64.9 138.9 0.3 46.2 2.5 145 145 A K + 0 0 165 -107,-1.0 2,-0.2 -2,-0.1 -106,-0.2 0.423 56.3 69.8-122.9 -1.5 1.6 45.8 -1.1 146 146 A L B -d 39 0A 80 -108,-2.2 -106,-2.2 2,-0.0 2,-0.4 -0.678 69.0-132.3-114.2 167.7 5.2 44.7 -0.5 147 147 A E - 0 0 124 -2,-0.2 2,-1.4 -108,-0.2 3,-0.1 -0.968 13.4-137.0-120.1 136.8 6.8 41.6 0.9 148 148 A D > + 0 0 17 -2,-0.4 3,-2.3 -107,-0.4 -109,-0.0 -0.660 27.1 176.2 -91.7 80.2 9.6 41.8 3.5 149 149 A T T 3 S+ 0 0 136 -2,-1.4 -1,-0.2 1,-0.3 0, 0.0 0.738 75.6 62.8 -57.5 -23.7 11.9 39.2 1.9 150 150 A G T 3 0 0 36 1,-0.2 -1,-0.3 -3,-0.1 -50,-0.2 0.563 360.0 360.0 -79.2 -7.8 14.4 39.9 4.6 151 151 A Y < 0 0 115 -3,-2.3 -2,-0.2 -110,-0.2 -1,-0.2 0.905 360.0 360.0 -87.1 360.0 12.0 38.6 7.2