==== 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 HYDROLASE 19-SEP-05 2B34 . COMPND 2 MOLECULE: MAR1 RIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR N.SCHORMANN,E.KARPOVA,S.LI,J.SYMERSKY,Y.ZHANG,S.LU,Q.ZHOU, . 1536 8 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1119 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 232 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 114 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 195 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 466 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.1 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 16 6 7 3 0 8 0 7 1 0 8 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 16 0 16 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 . 21 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 8 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 8 A A 0 0 60 0, 0.0 2,-0.7 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 99.1 -17.1 9.0 36.3 2 9 A R - 0 0 68 304,-0.0 2,-0.2 5,-0.0 5,-0.1 -0.854 360.0-152.7-112.7 98.8 -15.1 9.5 33.1 3 10 A I + 0 0 25 -2,-0.7 5,-0.0 92,-0.0 94,-0.0 -0.430 22.8 160.8 -70.3 136.0 -12.0 11.7 33.5 4 11 A N >> - 0 0 60 -2,-0.2 3,-1.3 158,-0.0 4,-0.5 -0.924 54.7 -96.7-141.2 167.9 -10.5 13.7 30.7 5 12 A P T 34 S+ 0 0 26 0, 0.0 3,-0.1 0, 0.0 157,-0.1 0.690 120.4 53.5 -57.7 -19.3 -8.1 16.7 30.7 6 13 A T T 34 S+ 0 0 124 1,-0.2 -3,-0.0 39,-0.1 38,-0.0 0.598 112.9 37.9 -94.9 -12.7 -11.0 19.2 30.4 7 14 A N T <4 S+ 0 0 19 -3,-1.3 88,-2.5 87,-0.1 89,-2.2 0.269 104.8 82.1-117.5 11.1 -13.1 18.0 33.4 8 15 A S E < -a 96 0A 0 -4,-0.5 2,-0.3 86,-0.2 89,-0.2 -0.805 48.8-165.5-124.7 154.5 -10.4 17.2 35.9 9 16 A A E -a 97 0A 0 87,-1.7 89,-3.2 -2,-0.3 2,-0.6 -0.991 20.3-132.6-133.6 146.1 -8.1 18.8 38.5 10 17 A L E -ab 98 47A 2 36,-2.9 38,-3.0 -2,-0.3 2,-0.6 -0.885 18.5-163.1 -98.2 121.5 -5.0 17.4 40.2 11 18 A F E -ab 99 48A 0 87,-3.4 89,-2.5 -2,-0.6 2,-0.7 -0.921 3.6-169.2-104.9 120.9 -4.9 17.9 44.0 12 19 A V E -ab 100 49A 0 36,-3.1 38,-2.3 -2,-0.6 2,-0.7 -0.925 15.0-159.4-108.0 106.9 -1.5 17.4 45.6 13 20 A a E -ab 101 50A 0 87,-2.5 89,-2.1 -2,-0.7 38,-0.1 -0.815 51.2 -40.5-105.8 116.5 -1.9 17.3 49.4 14 21 A D + 0 0 0 36,-1.8 2,-2.0 -2,-0.7 -1,-0.2 0.662 66.2 160.1 60.8 30.3 0.7 18.0 52.0 15 22 A L + 0 0 0 35,-0.3 46,-2.4 85,-0.1 2,-0.2 -0.522 30.2 159.5 -81.2 74.6 3.7 16.2 50.4 16 23 A Q B > -F 60 0B 0 -2,-2.0 3,-1.5 44,-0.3 4,-0.3 -0.601 53.3-107.3-110.5 163.1 6.2 18.2 52.5 17 24 A E G > S+ 0 0 92 42,-2.1 3,-1.8 1,-0.3 4,-0.2 0.829 109.6 57.0 -54.4 -48.5 9.8 17.8 53.6 18 25 A K G 3 S+ 0 0 141 39,-2.0 -1,-0.3 1,-0.3 3,-0.3 0.530 99.3 62.7 -68.8 -6.5 9.3 17.0 57.3 19 26 A F G X S+ 0 0 31 -3,-1.5 3,-2.0 38,-0.3 4,-0.3 0.575 74.0 99.3 -88.3 -12.9 7.2 13.9 56.4 20 27 A A T < S+ 0 0 49 -3,-1.8 3,-0.4 -4,-0.3 6,-0.2 0.777 88.8 35.3 -48.6 -40.1 10.0 12.2 54.6 21 28 A S T 3 S+ 0 0 109 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.435 115.8 55.7 -98.2 0.5 11.0 9.9 57.4 22 29 A N S < S+ 0 0 80 -3,-2.0 2,-0.4 2,-0.1 -1,-0.2 0.103 89.1 82.0-120.2 19.2 7.5 9.3 58.8 23 30 A I S > S- 0 0 18 -3,-0.4 3,-1.4 -4,-0.3 109,-0.3 -0.992 79.0-118.0-130.5 126.7 5.6 7.9 55.8 24 31 A K T 3 S+ 0 0 80 107,-2.6 107,-0.1 -2,-0.4 5,-0.1 -0.420 100.7 1.6 -59.5 130.6 5.6 4.4 54.5 25 32 A Y T 3> S+ 0 0 53 -2,-0.1 4,-2.4 3,-0.1 -1,-0.3 0.838 81.6 159.0 56.5 40.5 7.0 4.3 50.9 26 33 A F H <> S+ 0 0 15 -3,-1.4 4,-2.1 -6,-0.2 5,-0.2 0.950 71.4 47.7 -57.9 -51.9 7.7 8.1 50.9 27 34 A P H > S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.882 113.4 48.6 -57.1 -39.8 10.3 8.0 48.1 28 35 A E H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.919 110.6 50.3 -63.8 -46.7 8.0 5.8 45.9 29 36 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.819 109.7 51.3 -63.4 -35.6 5.0 8.1 46.5 30 37 A I H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.946 110.6 48.2 -65.5 -50.8 7.1 11.1 45.5 31 38 A T H X S+ 0 0 70 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.917 117.4 42.3 -53.4 -46.7 8.3 9.5 42.3 32 39 A T H X S+ 0 0 0 -4,-2.6 4,-1.4 95,-0.2 -2,-0.2 0.884 111.8 52.9 -73.8 -39.8 4.7 8.5 41.4 33 40 A S H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.870 105.8 56.5 -60.2 -36.9 3.2 11.8 42.5 34 41 A R H X S+ 0 0 56 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.850 101.7 57.1 -62.5 -34.5 5.8 13.5 40.2 35 42 A R H X S+ 0 0 27 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.897 109.3 44.2 -61.1 -43.0 4.4 11.4 37.3 36 43 A L H X S+ 0 0 4 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.879 112.1 52.1 -70.4 -40.6 0.9 12.8 37.8 37 44 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 112.4 46.2 -58.7 -45.8 2.2 16.3 38.2 38 45 A D H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.901 112.5 50.6 -62.2 -44.5 4.1 15.9 34.9 39 46 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 109.7 50.4 -61.2 -41.8 1.0 14.4 33.3 40 47 A A H <>S+ 0 0 3 -4,-2.7 5,-2.9 2,-0.2 4,-0.5 0.893 111.3 47.9 -64.5 -41.3 -1.2 17.3 34.5 41 48 A R H ><5S+ 0 0 94 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.920 113.6 48.1 -63.1 -45.4 1.3 19.9 33.1 42 49 A I H 3<5S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 117.8 40.2 -60.5 -44.2 1.5 18.0 29.7 43 50 A L T 3<5S- 0 0 13 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.349 110.5-118.0 -92.7 5.5 -2.3 17.7 29.5 44 51 A S T < 5 + 0 0 104 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.863 55.5 162.6 58.7 39.2 -3.0 21.3 30.8 45 52 A I < - 0 0 4 -5,-2.9 -1,-0.2 -6,-0.2 24,-0.2 -0.804 46.1-107.6 -89.9 126.6 -5.0 19.9 33.8 46 53 A P - 0 0 56 0, 0.0 -36,-2.9 0, 0.0 2,-0.4 -0.283 37.4-156.8 -54.5 130.1 -5.4 22.4 36.6 47 54 A T E -b 10 0A 6 -38,-0.2 2,-0.4 -36,-0.0 -36,-0.2 -0.937 10.6-170.1-115.8 137.7 -3.2 21.5 39.6 48 55 A I E -b 11 0A 4 -38,-3.0 -36,-3.1 -2,-0.4 2,-0.4 -0.994 3.8-166.8-126.1 132.5 -3.7 22.6 43.2 49 56 A V E -bc 12 74A 1 24,-1.9 26,-2.7 -2,-0.4 2,-0.3 -0.970 1.3-168.0-120.7 132.5 -1.1 22.1 46.0 50 57 A T E -bc 13 75A 0 -38,-2.3 -36,-1.8 -2,-0.4 2,-0.4 -0.913 5.2-159.7-113.8 150.2 -1.7 22.4 49.7 51 58 A E E - c 0 76A 10 24,-2.5 26,-1.8 -2,-0.3 2,-0.5 -0.996 16.0-136.6-127.2 125.3 0.9 22.5 52.5 52 59 A Q E S- c 0 77A 8 -2,-0.4 5,-0.3 1,-0.2 26,-0.2 -0.702 77.2 -32.1 -81.0 125.2 -0.1 21.7 56.1 53 60 A Y S >> S- 0 0 105 24,-2.8 4,-2.3 -2,-0.5 3,-1.8 0.803 70.1-169.8 30.4 63.8 1.4 24.2 58.7 54 61 A P H 3> S+ 0 0 25 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.624 76.3 72.3 -60.5 -12.4 4.5 24.8 56.6 55 62 A K H 34 S+ 0 0 176 2,-0.2 -2,-0.1 1,-0.1 4,-0.1 0.866 116.7 19.3 -65.7 -37.9 6.1 26.6 59.5 56 63 A G H <4 S+ 0 0 28 -3,-1.8 -1,-0.1 2,-0.1 -3,-0.1 0.724 134.3 40.4-100.9 -28.1 6.6 23.3 61.4 57 64 A L H < S- 0 0 40 -4,-2.3 -39,-2.0 -5,-0.3 -38,-0.3 0.459 98.5-136.5-105.3 -3.7 6.3 20.8 58.5 58 65 A G < - 0 0 16 -4,-1.2 -1,-0.3 -5,-0.3 2,-0.2 -0.208 34.0 -54.7 73.4-168.4 8.3 22.6 55.8 59 66 A H - 0 0 95 1,-0.2 -42,-2.1 -43,-0.1 -41,-0.1 -0.513 67.1 -62.0-108.1 169.2 7.3 23.0 52.2 60 67 A T B S-F 16 0B 3 -44,-0.2 -44,-0.3 -2,-0.2 -1,-0.2 -0.201 71.0 -88.8 -46.9 131.8 6.4 20.7 49.2 61 68 A V >> - 0 0 18 -46,-2.4 4,-1.4 1,-0.1 3,-1.4 -0.226 38.0-122.5 -47.5 125.1 9.3 18.4 48.3 62 69 A P H 3> S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.813 107.4 57.3 -40.8 -50.3 11.5 20.1 45.7 63 70 A T H 3> S+ 0 0 61 1,-0.2 4,-0.8 2,-0.2 -2,-0.1 0.837 107.0 49.3 -55.4 -37.8 11.2 17.5 42.9 64 71 A L H X> S+ 0 0 0 -3,-1.4 4,-0.7 1,-0.2 3,-0.6 0.898 109.8 50.3 -69.8 -41.5 7.4 17.9 42.9 65 72 A K H >< S+ 0 0 99 -4,-1.4 3,-0.6 1,-0.2 -2,-0.2 0.833 102.3 63.2 -63.3 -35.0 7.6 21.7 42.7 66 73 A E H 3< S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.796 107.6 42.4 -58.8 -33.0 10.0 21.3 39.7 67 74 A G H << S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.591 85.7 122.5 -91.7 -13.6 7.3 19.6 37.7 68 75 A L S << S- 0 0 26 -4,-0.7 -30,-0.1 -3,-0.6 -31,-0.0 -0.199 71.2-102.2 -57.0 137.8 4.4 21.8 38.6 69 76 A A > - 0 0 26 -32,-0.2 3,-1.5 -24,-0.2 -1,-0.1 -0.215 44.7 -95.9 -56.1 152.6 2.5 23.6 35.7 70 77 A E T 3 S+ 0 0 188 1,-0.3 -1,-0.1 -29,-0.1 -2,-0.1 0.717 116.2 32.3 -50.3 -42.9 3.5 27.2 35.3 71 78 A N T 3 S+ 0 0 153 2,-0.0 -1,-0.3 -24,-0.0 -2,-0.1 -0.151 80.9 155.4-111.3 39.8 0.7 29.0 37.3 72 79 A T < - 0 0 27 -3,-1.5 -24,-0.1 1,-0.1 2,-0.1 -0.537 37.3-134.4 -76.7 119.8 0.1 26.4 40.0 73 80 A P - 0 0 46 0, 0.0 -24,-1.9 0, 0.0 2,-0.4 -0.448 15.3-164.5 -68.4 142.0 -1.4 27.7 43.3 74 81 A I E -c 49 0A 65 -26,-0.2 2,-0.4 -2,-0.1 -24,-0.2 -0.962 10.9-170.9-129.3 114.0 0.1 26.5 46.6 75 82 A F E -c 50 0A 51 -26,-2.7 -24,-2.5 -2,-0.4 2,-0.2 -0.841 14.1-140.7-109.2 140.0 -2.0 27.2 49.6 76 83 A D E +c 51 0A 115 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.654 29.0 167.0 -91.2 155.7 -1.2 26.8 53.3 77 84 A K E -c 52 0A 12 -26,-1.8 -24,-2.8 -2,-0.2 5,-0.0 -0.986 40.5-159.2-160.0 160.7 -3.7 25.4 55.8 78 85 A T S S+ 0 0 34 -2,-0.3 666,-2.5 -26,-0.2 667,-0.2 0.539 76.6 90.8-115.4 -26.6 -4.2 24.0 59.3 79 86 A K B S-G 743 0C 96 664,-0.3 664,-0.3 665,-0.1 663,-0.1 -0.452 80.5-132.2 -62.8 142.7 -7.5 22.3 58.5 80 87 A F S S+ 0 0 6 662,-2.9 31,-0.2 658,-0.1 2,-0.2 0.869 83.1 81.1 -72.5 -34.9 -6.8 18.7 57.3 81 88 A S S S- 0 0 0 661,-0.5 -2,-0.1 29,-0.2 27,-0.1 -0.472 72.3-143.4 -73.4 140.7 -9.1 18.9 54.2 82 89 A M S S+ 0 0 0 25,-0.4 2,-2.1 -2,-0.2 -1,-0.1 0.592 77.9 102.3 -71.5 -15.4 -7.8 20.6 51.1 83 90 A C + 0 0 8 3,-0.1 -1,-0.1 4,-0.1 -2,-0.1 -0.519 49.6 144.6 -78.0 79.4 -11.3 22.0 50.5 84 91 A I > - 0 0 18 -2,-2.1 3,-2.7 -5,-0.0 4,-0.5 -0.778 66.9 -92.9-111.5 158.2 -10.5 25.5 51.7 85 92 A P G > S+ 0 0 96 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.809 121.5 60.1 -39.6 -48.1 -12.1 28.8 50.3 86 93 A P G 3 S+ 0 0 65 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.651 103.7 52.5 -57.6 -17.1 -9.2 29.4 47.8 87 94 A T G <> S+ 0 0 0 -3,-2.7 4,-2.0 1,-0.1 5,-0.1 0.505 85.1 88.3 -95.6 -5.9 -9.9 26.0 46.1 88 95 A E H <> S+ 0 0 78 -3,-1.8 4,-1.7 -4,-0.5 5,-0.2 0.913 84.8 50.2 -62.1 -47.6 -13.6 26.7 45.5 89 96 A D H 4 S+ 0 0 123 -4,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.847 111.3 50.2 -60.9 -37.9 -13.4 28.4 42.1 90 97 A T H >> S+ 0 0 32 -4,-0.3 3,-1.0 1,-0.2 4,-0.5 0.918 110.3 50.6 -61.7 -45.7 -11.2 25.6 40.8 91 98 A L H 3< S+ 0 0 12 -4,-2.0 3,-0.4 1,-0.3 -2,-0.2 0.747 102.7 59.0 -69.1 -27.4 -13.7 23.0 42.0 92 99 A K T 3< S+ 0 0 155 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.653 105.0 52.3 -74.1 -15.7 -16.7 24.8 40.4 93 100 A K T <4 S+ 0 0 173 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 0.583 108.1 56.8 -94.1 -13.5 -14.9 24.3 37.0 94 101 A V < - 0 0 17 -4,-0.5 -86,-0.2 -3,-0.4 -87,-0.1 -0.775 50.4-164.3-121.2 162.6 -14.3 20.5 37.3 95 102 A Q S S+ 0 0 126 -88,-2.5 26,-2.9 -2,-0.3 2,-0.4 0.505 80.8 52.0-113.3 -15.8 -16.3 17.3 37.8 96 103 A N E -ad 8 121A 2 -89,-2.2 -87,-1.7 24,-0.2 2,-0.5 -0.974 58.9-164.3-129.9 135.9 -13.3 15.1 38.7 97 104 A V E -ad 9 122A 0 24,-3.1 26,-3.3 -2,-0.4 2,-0.5 -0.983 8.5-155.6-118.9 125.1 -10.5 15.4 41.2 98 105 A I E -ad 10 123A 3 -89,-3.2 -87,-3.4 -2,-0.5 2,-0.5 -0.872 22.4-156.1 -93.3 125.5 -7.4 13.3 41.0 99 106 A L E +ad 11 124A 0 24,-2.9 26,-2.2 -2,-0.5 2,-0.3 -0.924 22.6 161.9-119.4 123.7 -5.8 13.0 44.5 100 107 A V E +a 12 0A 0 -89,-2.5 -87,-2.5 -2,-0.5 2,-0.3 -0.891 32.7 65.3-124.6 160.8 -2.3 12.3 45.5 101 108 A G E -ad 13 129A 0 27,-2.3 29,-1.0 -2,-0.3 2,-0.2 -0.774 64.1 -35.8 125.5-165.2 -0.5 12.9 48.8 102 109 A I E S+ d 0 130A 0 -89,-2.1 5,-0.3 -2,-0.3 6,-0.2 -0.684 89.6 42.9-129.2 169.2 -0.3 12.1 52.5 103 110 A E > > - 0 0 25 27,-1.3 5,-2.3 -2,-0.2 3,-1.4 0.913 61.5-168.8 54.4 74.3 -2.0 11.2 55.6 104 111 A A T 3 5S+ 0 0 0 26,-1.3 5,-0.4 1,-0.3 27,-0.1 0.848 86.9 42.9 -51.6 -37.5 -4.2 8.9 53.5 105 112 A H T 3 5S+ 0 0 4 3,-0.2 -1,-0.3 4,-0.1 627,-0.1 0.307 127.8 28.1 -96.7 4.8 -6.4 8.5 56.6 106 113 A V T <>5S+ 0 0 1 -3,-1.4 4,-3.2 -26,-0.1 5,-0.3 0.433 129.7 15.2-126.0 -91.1 -6.3 12.2 57.5 107 114 A a H >5S+ 0 0 0 -5,-0.3 4,-2.9 1,-0.2 -25,-0.4 0.924 132.3 44.4 -53.5 -51.2 -5.8 15.0 54.7 108 115 A V H > S+ 0 0 3 -6,-0.6 4,-2.6 -5,-0.4 -2,-0.2 0.934 117.2 45.3 -65.5 -49.7 -9.6 11.0 53.5 110 117 A Q H X S+ 0 0 20 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.891 115.1 48.2 -63.0 -41.1 -11.0 14.3 54.8 111 118 A T H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.947 110.6 52.7 -60.0 -49.3 -10.4 16.0 51.4 112 119 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.904 110.8 46.1 -51.8 -50.6 -12.0 13.0 49.7 113 120 A Y H X S+ 0 0 31 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.913 113.6 48.5 -60.3 -47.2 -15.2 13.3 51.9 114 121 A D H X S+ 0 0 17 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.887 113.0 48.4 -60.1 -42.7 -15.4 17.1 51.4 115 122 A L H <>S+ 0 0 0 -4,-2.9 5,-2.0 2,-0.2 3,-0.4 0.918 111.0 49.5 -63.7 -46.1 -15.0 16.6 47.6 116 123 A L H ><5S+ 0 0 40 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.848 106.1 57.4 -62.9 -36.1 -17.7 13.9 47.5 117 124 A E H 3<5S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.828 102.4 55.5 -60.8 -34.8 -20.0 16.1 49.5 118 125 A R T 3<5S- 0 0 111 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.400 123.3-107.4 -78.8 0.9 -19.7 18.8 46.7 119 126 A G T < 5S+ 0 0 64 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.637 74.2 139.6 81.1 15.3 -20.8 16.2 44.1 120 127 A L < - 0 0 10 -5,-2.0 2,-0.4 -24,-0.0 -1,-0.3 -0.609 55.2-120.1 -86.9 149.3 -17.3 15.8 42.6 121 128 A N E -d 96 0A 62 -26,-2.9 -24,-3.1 -2,-0.2 2,-0.5 -0.776 27.2-149.6 -85.1 134.7 -15.9 12.4 41.6 122 129 A V E -d 97 0A 1 -2,-0.4 28,-3.2 26,-0.3 2,-0.7 -0.937 10.3-166.0-113.0 120.6 -12.6 11.6 43.5 123 130 A H E -de 98 150A 7 -26,-3.3 -24,-2.9 -2,-0.5 2,-0.6 -0.897 11.7-159.0-105.6 102.4 -9.9 9.5 41.9 124 131 A V E -de 99 151A 0 26,-3.1 28,-2.5 -2,-0.7 2,-1.2 -0.747 9.1-145.9 -87.1 115.9 -7.5 8.3 44.6 125 132 A V E > - e 0 152A 0 -26,-2.2 3,-2.0 -2,-0.6 -24,-0.2 -0.703 14.1-168.5 -85.1 96.5 -4.1 7.4 43.2 126 133 A V E > S+ 0 0 0 26,-2.6 3,-0.8 -2,-1.2 -1,-0.2 0.758 82.1 55.3 -64.1 -29.5 -3.3 4.5 45.6 127 134 A D E 3 S+ 0 0 6 25,-0.4 -1,-0.3 1,-0.2 -95,-0.2 0.355 113.1 43.8 -84.7 7.5 0.4 4.2 44.5 128 135 A A E < S+ 0 0 0 -3,-2.0 -27,-2.3 -29,-0.2 2,-0.4 0.147 103.9 77.6-130.6 12.5 0.9 8.0 45.3 129 136 A V E < +d 101 0A 0 -3,-0.8 2,-0.3 -29,-0.2 -27,-0.2 -0.992 55.8 146.9-129.6 131.1 -1.0 8.0 48.6 130 137 A S E -d 102 0A 0 -29,-1.0 -26,-1.3 -2,-0.4 -27,-1.3 -0.929 26.8-145.8-153.9 175.5 0.3 6.7 51.9 131 138 A S - 0 0 0 -2,-0.3 -107,-2.6 -28,-0.2 -105,-0.1 -0.833 37.6-102.8-137.4 174.6 0.4 7.0 55.8 132 139 A R S S+ 0 0 68 -109,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.880 110.8 47.6 -65.9 -39.8 2.9 6.6 58.7 133 140 A S S > S- 0 0 16 1,-0.1 4,-1.9 -109,-0.1 5,-0.1 -0.868 75.0-142.2-107.0 138.0 1.1 3.3 59.5 134 141 A H H > S+ 0 0 23 -2,-0.4 4,-2.7 1,-0.2 5,-0.1 0.860 105.2 53.2 -58.0 -41.2 0.3 0.5 57.0 135 142 A T H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.905 107.4 50.8 -64.3 -43.8 -3.0 -0.2 58.8 136 143 A D H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.914 114.0 44.5 -57.7 -47.2 -4.0 3.5 58.6 137 144 A R H X S+ 0 0 8 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.909 111.1 54.2 -63.1 -47.5 -3.3 3.5 54.8 138 145 A H H X S+ 0 0 65 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.929 115.6 37.4 -54.7 -51.6 -5.1 0.2 54.2 139 146 A F H X S+ 0 0 9 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.708 105.9 68.0 -80.6 -19.4 -8.3 1.2 55.8 140 147 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.950 103.4 46.5 -56.5 -49.0 -8.1 4.8 54.5 141 148 A F H X S+ 0 0 10 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.876 111.1 52.4 -62.0 -40.6 -8.6 3.3 51.0 142 149 A K H X S+ 0 0 35 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.919 111.3 45.4 -60.4 -47.6 -11.5 1.2 52.4 143 150 A Q H X S+ 0 0 6 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.871 111.7 53.7 -64.4 -39.4 -13.2 4.2 53.9 144 151 A M H X>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.2 4,-0.6 0.933 112.0 43.0 -60.7 -47.7 -12.6 6.2 50.7 145 152 A E H <5S+ 0 0 39 -4,-2.4 3,-0.5 3,-0.2 -2,-0.2 0.815 108.3 59.0 -72.3 -30.9 -14.3 3.5 48.5 146 153 A Q H <5S+ 0 0 55 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 107.5 48.4 -58.8 -39.2 -17.2 3.1 51.0 147 154 A A H <5S- 0 0 48 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.603 131.0 -95.4 -78.1 -14.4 -17.9 6.8 50.5 148 155 A G T <5S+ 0 0 47 -4,-0.6 -26,-0.3 -3,-0.5 -3,-0.2 0.522 74.3 144.1 111.0 10.1 -17.8 6.4 46.6 149 156 A A < - 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