==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA BINDING PROTEIN 23-JUL-09 3IEY . COMPND 2 MOLECULE: TRNA-SPLICING ENDONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NANOARCHAEUM EQUITANS; . AUTHOR M.MITCHELL,H.LI . 299 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 18.7 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 0 0 1 0 0 0 3 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 4 3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 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 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 2 A I 0 0 125 0, 0.0 2,-0.3 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 1.0 97.6 72.1 4.7 2 3 A G - 0 0 1 28,-2.8 2,-0.4 18,-0.0 9,-0.2 -0.870 360.0-154.9-122.3 151.9 93.9 73.1 5.4 3 4 A Y E -A 10 0A 132 7,-2.1 7,-2.5 -2,-0.3 2,-0.5 -0.973 17.8-136.7-126.9 119.8 92.0 76.0 6.9 4 5 A L E +A 9 0A 13 28,-1.1 2,-0.4 -2,-0.4 5,-0.2 -0.600 28.9 167.5 -77.4 118.3 88.5 75.7 8.5 5 6 A F E > -A 8 0A 132 3,-2.9 3,-1.3 -2,-0.5 2,-0.3 -0.865 61.7 -62.1-134.3 99.1 86.1 78.5 7.5 6 7 A G T 3 S- 0 0 66 -2,-0.4 41,-0.1 1,-0.2 -1,-0.0 -0.479 118.5 -13.3 64.4-122.6 82.5 77.8 8.3 7 8 A N T 3 S+ 0 0 58 -2,-0.3 10,-0.6 -3,-0.1 2,-0.3 0.040 126.9 71.3-100.4 24.5 81.3 74.7 6.4 8 9 A R E < -AB 5 16A 112 -3,-1.3 -3,-2.9 8,-0.2 2,-0.5 -0.978 64.7-145.8-133.9 150.6 84.3 74.6 4.0 9 10 A V E -AB 4 15A 0 6,-2.9 6,-3.0 -2,-0.3 2,-0.5 -0.982 18.9-149.7-114.1 120.4 88.0 73.7 4.4 10 11 A L E +A 3 0A 73 -7,-2.5 -7,-2.1 -2,-0.5 -2,-0.0 -0.774 30.7 152.3 -92.9 127.9 90.3 75.8 2.1 11 12 A V 0 0 54 -2,-0.5 -1,-0.2 -9,-0.2 0, 0.0 0.752 360.0 360.0-118.7 -58.1 93.5 74.1 0.9 12 13 A D 0 0 193 -10,-0.0 -2,-0.0 0, 0.0 -10,-0.0 0.237 360.0 360.0-141.4 360.0 94.9 75.3 -2.4 13 ! 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 14 16 A E 0 0 159 0, 0.0 -4,-0.2 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 150.9 87.5 74.8 -1.2 15 17 A L E -B 9 0A 28 -6,-3.0 -6,-2.9 2,-0.0 2,-0.1 -0.858 360.0-117.3-111.4 139.9 86.5 71.4 0.2 16 18 A P E >> -B 8 0A 53 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.379 36.1-108.2 -64.8 154.6 83.3 70.2 1.9 17 19 A L H 3> S+ 0 0 10 -10,-0.6 4,-1.9 1,-0.2 5,-0.1 0.779 117.0 56.9 -59.3 -31.9 83.7 69.0 5.5 18 20 A I H 3> S+ 0 0 21 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.860 109.4 44.5 -69.0 -35.9 83.1 65.3 4.5 19 21 A E H <> S+ 0 0 60 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.805 113.7 50.4 -78.0 -31.6 86.0 65.3 2.0 20 22 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.816 109.2 51.7 -72.6 -33.4 88.3 67.2 4.4 21 23 A Y H X S+ 0 0 24 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.903 105.7 55.4 -69.0 -42.0 87.4 64.7 7.2 22 24 A Y H X S+ 0 0 15 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.914 111.4 43.1 -53.0 -49.2 88.3 61.8 4.9 23 25 A L H X>S+ 0 0 30 -4,-1.4 4,-1.9 2,-0.2 5,-1.7 0.838 113.4 51.0 -72.4 -34.9 91.8 63.1 4.2 24 26 A L H <5S+ 0 0 29 -4,-1.7 -1,-0.2 4,-0.2 -2,-0.2 0.892 113.1 46.8 -63.5 -42.4 92.4 64.1 7.8 25 27 A D H <5S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.775 113.6 48.5 -69.8 -30.0 91.4 60.5 8.8 26 28 A K H <5S- 0 0 83 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.762 116.9-114.9 -83.3 -29.4 93.6 59.1 6.1 27 29 A G T <5S+ 0 0 61 -4,-1.9 -3,-0.2 2,-0.2 -4,-0.1 0.453 87.8 102.9 112.6 4.1 96.6 61.2 7.1 28 30 A E S 0 0 112 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 135.9 90.5 64.2 15.3 38 43 A E H > + 0 0 152 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.745 360.0 63.6 -67.5 -23.4 87.7 64.6 17.7 39 44 A E H > S+ 0 0 122 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.960 106.5 39.4 -64.4 -53.2 88.0 68.4 17.4 40 45 A F H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.844 113.4 55.7 -68.1 -36.3 87.1 68.5 13.7 41 46 A L H X S+ 0 0 33 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.890 103.8 54.0 -63.3 -41.6 84.4 65.8 14.0 42 47 A K H X S+ 0 0 131 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.869 111.4 46.1 -60.4 -38.3 82.6 67.8 16.8 43 48 A K H X S+ 0 0 94 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.871 111.3 51.9 -69.9 -40.5 82.5 70.8 14.4 44 49 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.862 111.0 47.4 -63.3 -39.0 81.3 68.7 11.5 45 50 A L H < S+ 0 0 55 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.756 104.3 60.7 -76.4 -27.4 78.5 67.3 13.6 46 51 A T H < S+ 0 0 116 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.885 114.3 37.1 -60.3 -41.0 77.5 70.8 14.7 47 52 A Y H < S+ 0 0 139 -4,-1.4 2,-0.4 1,-0.3 -2,-0.2 0.868 131.4 24.4 -79.3 -40.2 76.9 71.6 11.1 48 53 A D >< - 0 0 26 -4,-2.3 3,-1.7 -5,-0.1 -1,-0.3 -0.940 57.3-165.2-136.8 110.1 75.4 68.2 10.0 49 54 A E T 3 S+ 0 0 168 -2,-0.4 3,-0.3 1,-0.3 4,-0.2 0.745 95.5 51.4 -65.9 -23.8 73.7 65.8 12.5 50 55 A R T 3> S+ 0 0 42 1,-0.2 4,-2.8 2,-0.1 -1,-0.3 0.226 76.8 113.5 -95.9 13.0 73.9 63.0 9.9 51 56 A F H <> S+ 0 0 6 -3,-1.7 4,-3.2 1,-0.2 5,-0.2 0.899 75.8 46.5 -53.9 -51.4 77.6 63.5 9.3 52 57 A L H > S+ 0 0 64 -3,-0.3 4,-2.6 -4,-0.2 -1,-0.2 0.891 113.8 49.5 -60.4 -42.5 78.8 60.2 10.9 53 58 A I H > S+ 0 0 35 -4,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.956 116.5 41.9 -58.0 -53.6 76.1 58.3 8.9 54 59 A R H X S+ 0 0 63 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.868 116.2 49.8 -61.3 -40.8 77.1 60.0 5.6 55 60 A Y H X S+ 0 0 11 -4,-3.2 4,-3.6 -5,-0.3 5,-0.3 0.915 105.3 54.1 -70.2 -45.2 80.8 59.7 6.3 56 61 A K H X S+ 0 0 90 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.913 114.7 42.0 -55.2 -46.4 80.9 56.0 7.2 57 62 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.915 116.3 50.0 -63.8 -44.5 79.2 55.2 3.9 58 63 A Y H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.924 111.4 46.5 -61.6 -50.5 81.4 57.7 2.0 59 64 A K H X S+ 0 0 68 -4,-3.6 4,-2.0 1,-0.2 -1,-0.2 0.896 109.6 57.0 -58.4 -44.4 84.7 56.4 3.5 60 65 A E H X S+ 0 0 65 -4,-1.8 4,-1.0 -5,-0.3 -2,-0.2 0.915 113.3 36.3 -52.1 -52.9 83.6 52.8 2.7 61 66 A L H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 -1,-0.2 0.885 114.5 53.3 -75.8 -41.1 83.0 53.2 -1.0 62 67 A R H ><5S+ 0 0 83 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.836 109.0 52.1 -63.7 -34.0 85.9 55.7 -1.7 63 68 A D H 3<5S+ 0 0 78 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.825 105.4 55.8 -66.4 -34.5 88.3 53.2 -0.1 64 69 A K T 3<5S- 0 0 68 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.342 128.6 -95.7 -83.5 5.3 86.9 50.4 -2.4 65 70 A G T < 5S+ 0 0 35 -3,-0.9 19,-0.6 1,-0.3 20,-0.3 0.361 82.6 131.8 98.5 -4.5 87.7 52.5 -5.5 66 71 A Y < - 0 0 1 -5,-2.3 2,-0.5 17,-0.2 -1,-0.3 -0.468 48.6-138.5 -75.3 151.0 84.3 54.1 -6.0 67 72 A T E -C 81 0B 41 14,-1.6 14,-2.7 -2,-0.1 2,-0.4 -0.961 17.6-161.8-116.4 131.2 84.1 57.9 -6.7 68 73 A L E +C 80 0B 27 -2,-0.5 2,-0.3 12,-0.2 12,-0.2 -0.859 12.5 173.2-114.6 143.4 81.4 60.0 -5.1 69 74 A G E -C 79 0B 16 10,-2.0 10,-3.3 -2,-0.4 -2,-0.0 -0.936 43.9 -78.8-136.9 162.4 80.0 63.4 -5.8 70 75 A T E -C 78 0B 92 -2,-0.3 8,-0.3 8,-0.2 7,-0.1 -0.217 30.4-174.2 -59.2 147.4 77.0 65.4 -4.4 71 76 A A E >>> +C 76 0B 0 6,-1.1 5,-2.0 5,-0.7 3,-1.8 0.066 45.2 123.0-126.6 22.4 73.5 64.5 -5.6 72 77 A L G >45 + 0 0 136 5,-0.3 3,-0.9 1,-0.3 5,-0.1 0.812 63.5 65.4 -56.8 -38.5 71.8 67.4 -3.8 73 78 A K G 345S+ 0 0 165 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.753 110.8 39.6 -57.9 -22.8 70.2 68.9 -6.9 74 79 A F G <45S- 0 0 59 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.521 122.4-108.2 -98.1 -12.7 68.2 65.6 -7.1 75 80 A G T <<5S+ 0 0 56 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.631 81.5 116.6 91.9 17.2 67.6 65.4 -3.3 76 81 A A E < -C 71 0B 4 -5,-2.0 -5,-0.7 1,-0.1 -1,-0.4 -0.785 68.5-125.5-112.7 160.1 70.0 62.6 -2.7 77 82 A D E S+ 0 0 29 25,-0.7 -6,-1.1 -2,-0.3 -5,-0.3 0.963 83.4 2.1 -69.4 -53.9 73.2 62.5 -0.6 78 83 A F E -CD 70 102B 17 24,-1.9 24,-4.0 -8,-0.3 2,-0.4 -0.974 50.7-145.0-138.4 149.1 75.7 61.2 -3.2 79 84 A R E -CD 69 101B 61 -10,-3.3 -10,-2.0 -2,-0.3 2,-0.5 -0.876 29.6-151.0-101.5 148.8 76.0 60.0 -6.8 80 85 A V E -C 68 0B 1 20,-2.2 2,-0.4 -2,-0.4 -12,-0.2 -0.964 9.9-155.0-135.9 109.8 78.4 57.1 -7.3 81 86 A Y E -C 67 0B 13 -14,-2.7 -14,-1.6 -2,-0.5 4,-0.1 -0.798 34.7-108.0 -79.1 137.8 80.6 56.2 -10.3 82 87 A D - 0 0 50 -2,-0.4 -15,-0.1 3,-0.2 -1,-0.1 -0.097 48.4 -73.4 -61.7 161.0 81.6 52.5 -10.5 83 88 A I S S+ 0 0 73 1,-0.2 -17,-0.2 -17,-0.1 -1,-0.1 -0.335 123.0 39.2 -57.7 136.4 85.2 51.3 -9.8 84 89 A G S S+ 0 0 71 -19,-0.6 -1,-0.2 -3,-0.1 -2,-0.1 0.951 95.9 167.0 75.8 68.7 87.6 52.2 -12.6 85 90 A V - 0 0 16 -20,-0.3 -3,-0.2 -4,-0.1 -18,-0.1 0.474 35.0-165.3 -51.9 -72.3 85.8 55.5 -12.9 86 91 A I - 0 0 116 1,-0.1 2,-0.9 -5,-0.1 8,-0.2 0.402 7.3-157.9-143.0 108.3 86.6 58.1 -14.5 87 92 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.618 91.6 26.7 -76.4 108.5 84.7 61.3 -13.6 88 93 A K S > S+ 0 0 179 -2,-0.9 2,-2.9 -3,-0.1 4,-0.8 -0.533 73.0 170.8 139.5 -65.9 85.2 63.4 -16.7 89 94 A K T 4 - 0 0 66 2,-0.1 2,-0.2 4,-0.1 4,-0.1 -0.212 58.2 -76.0 68.8 -55.1 85.7 60.7 -19.4 90 95 A G T 4 S- 0 0 65 -2,-2.9 3,-0.2 4,-0.0 -1,-0.1 -0.671 107.6 -7.8 165.9-107.6 85.6 63.0 -22.6 91 96 A K T 4 S- 0 0 194 1,-0.4 2,-0.4 -2,-0.2 -2,-0.1 -0.393 119.3-106.4-103.7 45.9 82.4 64.4 -24.0 92 97 A R < + 0 0 79 -4,-0.8 -1,-0.4 1,-0.1 0, 0.0 -0.829 65.8 145.7 91.6-143.1 81.1 62.1 -21.4 93 98 A S + 0 0 65 -2,-0.4 2,-2.8 -3,-0.2 -4,-0.1 -0.720 26.8 112.9-141.6 48.2 79.8 59.7 -21.6 94 99 A E S S- 0 0 93 -8,-0.2 4,-0.4 1,-0.2 3,-0.2 -0.489 115.5 -60.3 -71.4 66.3 80.1 56.8 -19.2 95 100 A R S S- 0 0 167 -2,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.387 81.0-102.1 66.3 3.6 76.4 57.3 -18.3 96 101 A E S S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.923 103.0 5.2 62.3 84.1 76.8 60.9 -17.0 97 102 A H S S- 0 0 53 -3,-0.2 3,-0.4 1,-0.1 -17,-0.2 0.581 120.3-146.0 78.8 27.9 76.8 61.6 -13.2 98 103 A S - 0 0 1 -4,-0.4 2,-0.3 1,-0.2 -2,-0.2 0.356 29.2 -11.7 -58.6 144.8 76.8 57.8 -13.7 99 104 A K S S+ 0 0 82 28,-0.3 2,-0.3 -4,-0.3 -1,-0.2 -0.093 98.4 27.5 82.9 -3.4 75.4 54.7 -12.0 100 105 A W - 0 0 12 -3,-0.4 -20,-2.2 -2,-0.3 2,-0.5 -0.899 49.6-144.8-175.6 142.6 73.9 54.9 -8.4 101 106 A V E -De 79 130B 0 28,-0.8 30,-4.4 -2,-0.3 2,-0.5 -0.979 32.0-145.7-107.0 124.3 72.2 57.5 -6.3 102 107 A L E -De 78 131B 0 -24,-4.0 -24,-1.9 -2,-0.5 -25,-0.7 -0.822 20.0-173.0-105.7 128.1 73.3 56.8 -2.7 103 108 A Y E - e 0 132B 9 28,-2.9 30,-1.4 -2,-0.5 2,-0.3 -0.853 15.0-153.6-115.2 92.0 71.3 57.3 0.5 104 109 A P E + e 0 133B 1 0, 0.0 2,-0.3 0, 0.0 30,-0.2 -0.504 28.1 172.8 -62.7 128.2 73.5 56.8 3.6 105 110 A V E - e 0 134B 4 28,-2.1 30,-2.6 -2,-0.3 2,-0.3 -0.976 33.2-112.3-144.8 147.0 71.1 55.7 6.3 106 111 A S E > - e 0 135B 31 -2,-0.3 3,-1.2 28,-0.2 157,-0.4 -0.630 21.9-130.9 -83.4 142.7 71.2 54.4 9.9 107 112 A K T 3 S+ 0 0 83 28,-2.7 157,-2.0 -2,-0.3 158,-0.3 0.698 110.0 45.9 -63.5 -21.0 70.1 50.8 10.6 108 113 A D T 3 S+ 0 0 126 27,-0.3 -1,-0.3 155,-0.2 2,-0.2 0.433 87.3 110.0-104.1 -2.7 67.9 52.0 13.5 109 114 A E < - 0 0 59 -3,-1.2 154,-1.9 153,-0.1 155,-0.2 -0.528 63.2-134.4 -70.8 138.6 66.3 54.9 11.5 110 115 A T E +L 262 0C 73 152,-0.2 2,-0.3 -2,-0.2 152,-0.3 -0.594 25.4 176.0 -92.4 156.9 62.6 54.4 10.6 111 116 A F E -L 261 0C 0 150,-2.6 150,-2.9 -2,-0.2 2,-0.2 -0.980 21.5-138.5-151.8 150.4 61.0 55.1 7.3 112 117 A D E > -L 260 0C 42 -2,-0.3 4,-1.5 148,-0.2 3,-0.2 -0.623 35.7-106.4-100.2 174.2 57.6 54.8 5.6 113 118 A F H > S+ 0 0 2 144,-1.5 4,-2.3 146,-0.7 145,-0.2 0.572 116.4 67.1 -85.7 -5.6 57.1 53.5 2.1 114 119 A Y H > S+ 0 0 139 143,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.912 105.5 45.5 -64.9 -46.3 56.2 56.9 0.8 115 120 A E H > S+ 0 0 61 142,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.912 113.1 50.1 -59.6 -44.9 59.9 57.8 1.6 116 121 A F H X S+ 0 0 2 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.940 112.5 45.5 -60.9 -50.9 61.0 54.5 -0.0 117 122 A A H X S+ 0 0 29 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.850 111.6 54.0 -59.7 -37.9 59.1 55.1 -3.2 118 123 A S H X S+ 0 0 70 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.944 105.7 51.7 -62.1 -49.5 60.3 58.7 -3.3 119 124 A K H X S+ 0 0 32 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.847 113.5 44.8 -56.0 -39.5 64.0 57.6 -3.1 120 125 A N H X S+ 0 0 9 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.830 108.5 56.9 -74.0 -35.3 63.5 55.3 -6.0 121 126 A R H X S+ 0 0 173 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.910 107.9 46.7 -64.8 -42.6 61.6 57.8 -8.1 122 127 A V H X S+ 0 0 29 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.900 112.5 50.4 -67.4 -39.0 64.4 60.3 -8.0 123 128 A A H ><>S+ 0 0 1 -4,-1.4 5,-2.3 -5,-0.2 3,-1.1 0.950 112.0 48.2 -57.3 -49.8 67.0 57.6 -8.8 124 129 A H H ><5S+ 0 0 92 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.868 104.7 59.5 -58.0 -39.7 64.7 56.6 -11.8 125 130 A S H 3<5S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.675 108.8 44.4 -65.2 -20.0 64.4 60.3 -12.9 126 131 A T T <<5S- 0 0 22 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.352 115.1-116.3-101.2 2.8 68.2 60.4 -13.3 127 132 A R T < 5S+ 0 0 230 -3,-1.5 -28,-0.3 -4,-0.3 -3,-0.2 0.889 77.6 119.7 58.3 44.0 68.3 57.0 -15.1 128 133 A K < - 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