==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 10-MAY-10 3MYL . COMPND 2 MOLECULE: MYOSIN-2 HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR J.J.FRYE,V.A.KLENCHIN,C.R.BAGSHAW,I.RAYMENT . 744 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 9.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 1 0.1 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 . 44 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 1 0 5 1 4 3 2 1 1 1 0 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 3 1 5 1 1 1 1 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 1 1 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 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 X N >> 0 0 112 0, 0.0 3,-2.8 0, 0.0 4,-1.5 0.000 360.0 360.0 360.0 109.5 50.2 -45.7 -32.5 2 3 X P T 34 + 0 0 53 0, 0.0 9,-0.3 0, 0.0 6,-0.2 0.707 360.0 63.5 -51.9 -28.9 50.3 -45.3 -28.7 3 4 X I T 34 S+ 0 0 20 1,-0.2 3,-0.0 7,-0.1 138,-0.0 0.712 115.8 30.9 -67.7 -19.5 47.6 -48.1 -28.2 4 5 X H T <4 S+ 0 0 132 -3,-2.8 2,-1.0 1,-0.1 -1,-0.2 0.530 99.3 89.5-117.0 -14.4 50.1 -50.6 -29.7 5 6 X D >< - 0 0 74 -4,-1.5 3,-2.5 1,-0.1 6,-0.4 -0.754 60.6-163.0 -85.1 100.1 53.4 -49.1 -28.6 6 7 X R T 3 S+ 0 0 102 -2,-1.0 -1,-0.1 1,-0.3 12,-0.1 0.561 87.2 60.2 -64.3 -5.4 54.0 -50.7 -25.1 7 8 X T T 3 S+ 0 0 106 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.513 84.1 109.3 -93.8 -6.1 56.6 -47.9 -24.3 8 9 X S S <> S- 0 0 14 -3,-2.5 4,-2.1 -6,-0.2 5,-0.1 -0.178 82.4-116.7 -67.5 162.0 54.0 -45.1 -24.7 9 10 X D H > S+ 0 0 87 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.833 115.8 63.9 -59.3 -34.3 52.6 -43.1 -21.7 10 11 X Y H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.939 107.5 39.7 -54.7 -50.9 49.2 -44.6 -22.6 11 12 X H H > S+ 0 0 12 -6,-0.4 4,-1.4 -9,-0.3 -2,-0.2 0.937 117.3 49.2 -70.0 -40.0 50.5 -48.1 -21.8 12 13 X K H < S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.916 122.9 29.8 -66.8 -43.5 52.5 -46.9 -18.7 13 14 X Y H < S+ 0 0 75 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.613 129.8 28.7 -95.4 -11.5 49.6 -44.9 -17.2 14 15 X L H < S+ 0 0 8 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.430 107.9 62.3-129.3 -6.4 46.4 -46.6 -18.2 15 16 X K S < S- 0 0 36 -4,-1.4 2,-0.3 -5,-0.3 -1,-0.1 -0.921 81.1-109.1-124.0 154.1 47.2 -50.3 -18.7 16 17 X V - 0 0 48 -2,-0.3 2,-0.1 70,-0.2 -3,-0.1 -0.637 58.4-100.7 -69.7 131.8 48.4 -53.2 -16.7 17 18 X K - 0 0 162 -2,-0.3 2,-0.4 -5,-0.1 -1,-0.1 -0.425 37.6-140.6 -66.3 134.7 51.9 -53.7 -18.0 18 19 X Q - 0 0 89 -2,-0.1 4,-0.1 -12,-0.1 -1,-0.1 -0.799 13.4-150.5 -98.0 132.7 52.1 -56.6 -20.6 19 20 X G - 0 0 50 -2,-0.4 -1,-0.1 2,-0.3 3,-0.0 -0.161 39.5 -81.5 -84.7-176.8 55.0 -58.9 -20.6 20 21 X D S S+ 0 0 162 1,-0.1 2,-0.3 -2,-0.1 -2,-0.0 0.828 112.7 32.1 -54.6 -32.4 56.6 -60.9 -23.4 21 22 X S - 0 0 58 1,-0.1 -2,-0.3 2,-0.1 -1,-0.1 -0.978 45.1-176.8-135.3 144.1 54.0 -63.7 -23.1 22 23 X D + 0 0 71 -2,-0.3 5,-0.1 -4,-0.1 -1,-0.1 0.111 38.9 149.9-116.6 18.7 50.2 -64.1 -22.0 23 24 X L > - 0 0 100 1,-0.1 3,-1.8 2,-0.1 4,-0.5 -0.238 55.9-122.7 -60.2 136.3 50.1 -67.9 -22.3 24 25 X F G > S+ 0 0 17 668,-0.3 3,-1.3 1,-0.3 4,-0.3 0.822 108.4 63.9 -37.9 -50.4 47.7 -69.8 -20.0 25 26 X K G > S+ 0 0 121 1,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.793 88.9 68.2 -53.3 -31.7 50.6 -71.9 -18.6 26 27 X L G < S+ 0 0 121 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.812 104.7 42.1 -58.6 -28.6 52.3 -68.8 -17.0 27 28 X T G < S+ 0 0 41 -3,-1.3 -1,-0.3 -4,-0.5 55,-0.2 0.352 81.7 131.0-110.2 6.0 49.6 -68.4 -14.5 28 29 X V < + 0 0 92 -3,-1.3 2,-0.3 -4,-0.3 716,-0.1 -0.330 25.8 156.2 -59.4 137.7 49.1 -72.0 -13.6 29 30 X S - 0 0 61 -2,-0.1 -2,-0.0 2,-0.1 53,-0.0 -0.972 43.0-145.5-159.5 144.5 49.0 -72.7 -9.8 30 31 X D + 0 0 138 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 0.406 69.7 107.5 -94.3 8.7 47.5 -75.4 -7.6 31 32 X K - 0 0 86 19,-0.0 2,-0.4 2,-0.0 21,-0.1 -0.665 48.5-168.4 -87.4 137.8 46.7 -72.9 -4.7 32 33 X R - 0 0 78 19,-0.4 19,-3.0 -2,-0.3 2,-0.3 -0.979 10.3-165.8-122.7 138.6 43.1 -71.9 -4.1 33 34 X Y E -A 50 0A 75 -2,-0.4 46,-2.1 46,-0.4 2,-0.3 -0.802 12.2-154.0-125.7 162.7 42.3 -69.0 -1.8 34 35 X I E -AB 49 78A 3 15,-2.5 15,-3.3 -2,-0.3 2,-0.5 -0.940 19.7-128.7-128.6 148.8 39.4 -67.5 0.1 35 36 X W E +AB 48 77A 14 42,-3.2 42,-0.6 -2,-0.3 2,-0.3 -0.899 40.7 171.4 -91.7 127.0 38.7 -63.9 1.2 36 37 X Y E -A 47 0A 17 11,-2.4 11,-2.5 -2,-0.5 3,-0.1 -0.970 36.9-113.0-135.9 153.8 37.8 -63.9 5.0 37 38 X N - 0 0 39 -2,-0.3 9,-0.2 9,-0.2 6,-0.1 -0.760 14.4-159.1 -80.0 111.7 37.2 -61.4 7.8 38 39 X P S S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 0.910 93.5 33.4 -57.1 -37.3 39.9 -61.7 10.5 39 40 X D S > S- 0 0 46 6,-0.4 3,-2.2 3,-0.3 6,-0.2 -0.929 76.3-153.5-120.5 112.0 37.4 -60.0 12.7 40 41 X P T 3 S+ 0 0 105 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.627 94.2 63.8 -58.4 -14.6 33.7 -60.8 12.1 41 42 X K T 3 S+ 0 0 181 1,-0.2 2,-0.9 2,-0.1 3,-0.1 0.743 94.4 66.5 -79.7 -23.3 32.5 -57.5 13.5 42 43 X E X + 0 0 101 -3,-2.2 3,-1.6 1,-0.2 -3,-0.3 -0.726 68.1 179.5 -91.3 78.6 34.4 -55.8 10.6 43 44 X R T 3 S+ 0 0 150 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.723 76.7 43.6 -55.7 -30.5 32.3 -57.0 7.7 44 45 X D T 3 S+ 0 0 10 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.021 88.6 88.7-119.8 39.1 34.4 -55.2 5.1 45 46 X S < + 0 0 25 -3,-1.6 -6,-0.4 -6,-0.2 2,-0.3 -0.989 59.0 177.6-122.0 118.3 38.0 -55.8 6.2 46 47 X Y - 0 0 29 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.806 20.6-165.8-121.1 158.5 39.3 -59.1 4.6 47 48 X E E -A 36 0A 89 -11,-2.5 -11,-2.4 -2,-0.3 2,-0.5 -0.864 33.7-102.5-132.7 168.6 42.5 -61.1 4.4 48 49 X C E -A 35 0A 29 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.844 33.7-166.1-100.6 123.1 43.4 -63.9 2.0 49 50 X G E -A 34 0A 0 -15,-3.3 -15,-2.5 -2,-0.5 2,-0.4 -0.889 18.1-131.7-111.6 138.1 43.3 -67.5 3.2 50 51 X E E -AC 33 62A 63 12,-1.3 12,-2.2 -2,-0.4 2,-0.4 -0.694 24.8-127.9 -87.1 126.8 44.7 -70.6 1.5 51 52 X I E + C 0 61A 25 -19,-3.0 -19,-0.4 -2,-0.4 10,-0.3 -0.653 28.1 179.9 -75.2 132.7 42.2 -73.4 1.3 52 53 X V E - 0 0 82 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.668 60.5 -20.0-110.8 -26.5 43.9 -76.5 2.8 53 54 X S E - C 0 60A 63 7,-1.6 7,-3.5 2,-0.0 -1,-0.4 -0.970 58.4-143.4-168.0 174.4 41.0 -79.0 2.4 54 55 X E E - C 0 59A 120 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.954 2.6-157.3-141.7 160.4 37.3 -79.4 1.9 55 56 X T - 0 0 80 3,-3.0 5,-0.0 -2,-0.3 -2,-0.0 -0.599 55.2 -76.1-115.5-168.9 34.3 -81.5 2.9 56 57 X S S S+ 0 0 118 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.844 128.6 11.5 -59.2 -39.0 31.0 -81.8 1.0 57 58 X D S S+ 0 0 91 16,-0.1 16,-3.4 1,-0.1 17,-0.5 0.492 121.7 57.7-123.9 -3.1 29.8 -78.4 2.2 58 59 X S E - D 0 72A 5 14,-0.3 -3,-3.0 15,-0.1 2,-0.4 -0.928 57.5-144.0-123.3 158.0 32.8 -76.6 3.8 59 60 X F E -CD 54 71A 13 12,-2.9 12,-2.0 -2,-0.3 2,-0.5 -0.897 13.2-149.4-103.9 147.4 36.3 -75.4 3.1 60 61 X T E +CD 53 70A 33 -7,-3.5 -8,-3.0 -2,-0.4 -7,-1.6 -0.959 26.4 179.3-108.0 131.7 39.0 -75.6 5.7 61 62 X F E -CD 51 69A 6 8,-2.5 8,-2.3 -2,-0.5 2,-0.5 -0.923 31.2-121.8-131.6 161.3 41.6 -72.8 5.3 62 63 X K E -CD 50 68A 47 -12,-2.2 -12,-1.3 -2,-0.3 6,-0.2 -0.860 29.5-143.3 -93.6 120.5 44.8 -71.4 6.9 63 64 X T > - 0 0 8 4,-2.5 3,-1.7 -2,-0.5 -14,-0.1 -0.232 37.0 -88.5 -72.0 177.8 44.5 -67.7 8.0 64 65 X V T 3 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.1 -15,-0.0 0.766 126.6 45.5 -67.0 -24.4 47.5 -65.4 7.6 65 66 X D T 3 S- 0 0 138 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.099 126.8 -92.5-113.1 40.4 49.0 -66.2 11.0 66 67 X G S < S+ 0 0 51 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.344 75.9 140.0 83.6 1.9 48.6 -69.9 10.7 67 68 X Q - 0 0 89 -5,-0.1 -4,-2.5 1,-0.1 2,-0.4 -0.635 48.5-124.1 -90.6 140.0 45.2 -70.7 12.3 68 69 X D E +D 62 0A 111 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.564 36.5 164.9 -79.2 124.0 42.6 -73.2 10.9 69 70 X R E -D 61 0A 77 -8,-2.3 -8,-2.5 -2,-0.4 2,-0.3 -0.875 19.6-149.4-125.7 170.6 39.2 -71.9 10.3 70 71 X Q E -D 60 0A 128 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.945 10.2-173.4-140.2 157.6 36.4 -73.3 8.3 71 72 X V E -D 59 0A 33 -12,-2.0 -12,-2.9 -2,-0.3 2,-0.2 -0.984 32.1-103.7-149.1 143.8 33.6 -71.9 6.3 72 73 X K E >> -D 58 0A 60 -2,-0.3 3,-1.8 -14,-0.2 4,-0.5 -0.496 29.0-128.5 -69.1 137.6 30.5 -73.2 4.5 73 74 X K G >4 S+ 0 0 56 -16,-3.4 3,-1.5 1,-0.3 -15,-0.1 0.908 111.8 56.5 -48.9 -49.0 30.9 -73.4 0.7 74 75 X D G 34 S+ 0 0 161 -17,-0.5 -1,-0.3 1,-0.3 -16,-0.1 0.675 112.6 40.3 -58.4 -22.2 27.7 -71.5 0.4 75 76 X D G <4 S+ 0 0 115 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.375 92.5 114.7-104.2 1.0 29.1 -68.6 2.6 76 77 X A << - 0 0 21 -3,-1.5 2,-0.8 -4,-0.5 -40,-0.1 -0.484 56.2-148.6 -81.3 145.7 32.6 -68.6 1.2 77 78 X N E -B 35 0A 41 -42,-0.6 -42,-3.2 -2,-0.2 -1,-0.1 -0.848 25.4-156.9-105.0 89.9 34.1 -65.6 -0.8 78 79 X Q E -B 34 0A 50 -2,-0.8 2,-0.5 -44,-0.2 19,-0.3 -0.386 13.8-121.2 -70.3 149.2 36.4 -67.5 -3.2 79 80 X R - 0 0 50 -46,-2.1 -46,-0.4 -30,-0.1 3,-0.1 -0.812 26.5-114.7 -91.1 131.8 39.3 -65.5 -4.6 80 81 X N - 0 0 7 -2,-0.5 -1,-0.0 15,-0.2 5,-0.0 -0.296 39.6 -95.9 -57.8 143.3 39.6 -65.2 -8.4 81 82 X P > - 0 0 20 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.243 43.3-100.0 -58.6 154.1 42.6 -66.9 -10.1 82 83 X I G > S+ 0 0 90 1,-0.3 3,-2.1 -55,-0.2 -2,-0.1 0.735 116.8 70.1 -58.2 -25.6 45.5 -64.6 -10.7 83 84 X K G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -56,-0.2 -3,-0.0 0.798 95.7 57.8 -62.6 -26.1 44.7 -64.0 -14.4 84 85 X F G X S+ 0 0 11 -3,-2.4 3,-1.5 2,-0.1 2,-0.7 0.501 77.7 111.5 -80.4 -6.7 41.7 -62.0 -13.2 85 86 X D T < S+ 0 0 33 -3,-2.1 19,-0.1 1,-0.2 20,-0.0 -0.610 88.0 10.9 -76.5 111.9 43.8 -59.5 -11.2 86 87 X G T 3 S+ 0 0 6 -2,-0.7 -1,-0.2 1,-0.2 -70,-0.2 0.488 82.4 163.3 107.5 -3.1 43.6 -56.1 -12.9 87 88 X V < - 0 0 26 -3,-1.5 -1,-0.2 1,-0.1 21,-0.1 -0.275 42.9-127.1 -55.3 151.4 40.8 -56.8 -15.4 88 89 X E S S+ 0 0 45 1,-0.1 29,-2.7 28,-0.1 2,-0.4 0.582 92.5 41.2 -80.9 -11.1 39.3 -53.6 -16.9 89 90 X D B > -e 117 0B 20 27,-0.2 3,-2.3 1,-0.1 29,-0.2 -0.995 69.4-144.4-139.8 128.1 35.7 -54.5 -16.1 90 91 X M G > S+ 0 0 3 27,-2.4 3,-1.9 -2,-0.4 28,-0.2 0.738 99.3 73.9 -62.8 -22.6 34.4 -56.1 -12.9 91 92 X S G 3 S+ 0 0 25 1,-0.3 -1,-0.3 26,-0.1 592,-0.2 0.624 86.6 65.0 -66.4 -9.1 31.9 -57.9 -15.1 92 93 X E G < S+ 0 0 96 -3,-2.3 -1,-0.3 590,-0.1 2,-0.2 0.526 79.1 102.6 -88.4 -6.5 34.9 -60.0 -16.2 93 94 X L < - 0 0 2 -3,-1.9 3,-0.1 -4,-0.2 646,-0.1 -0.563 58.7-156.9 -76.8 142.4 35.4 -61.5 -12.8 94 95 X S S S+ 0 0 0 -2,-0.2 643,-1.7 1,-0.2 2,-0.6 0.888 87.5 50.8 -84.8 -44.8 34.2 -65.1 -12.2 95 96 X Y S S- 0 0 20 641,-0.2 -15,-0.2 642,-0.1 -1,-0.2 -0.851 71.8-176.5 -89.5 118.4 33.8 -64.9 -8.4 96 97 X L + 0 0 5 -2,-0.6 581,-0.1 -3,-0.1 -1,-0.1 0.084 29.5 132.4-108.6 22.0 31.8 -61.7 -7.9 97 98 X N S > S- 0 0 16 -19,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.224 70.3 -99.0 -69.0 163.2 31.6 -61.4 -4.1 98 99 X E H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.871 120.0 46.1 -56.3 -48.9 32.4 -58.1 -2.3 99 100 X P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.860 111.5 54.5 -68.3 -30.6 36.1 -58.7 -1.3 100 101 X A H > S+ 0 0 3 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.884 110.1 47.2 -64.9 -39.4 36.8 -60.0 -4.8 101 102 X V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.945 113.7 46.8 -66.7 -47.1 35.4 -56.7 -6.2 102 103 X F H X S+ 0 0 9 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.893 109.5 55.6 -60.4 -40.4 37.4 -54.6 -3.8 103 104 X H H X S+ 0 0 17 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.919 106.1 49.3 -59.5 -46.4 40.5 -56.7 -4.6 104 105 X N H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.940 112.0 49.0 -63.6 -41.6 40.3 -56.0 -8.3 105 106 X L H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.873 113.2 47.3 -53.6 -45.8 39.9 -52.3 -7.6 106 107 X R H X S+ 0 0 72 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.897 107.5 54.7 -68.9 -41.7 42.9 -52.3 -5.3 107 108 X V H X S+ 0 0 20 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.932 114.5 42.7 -53.2 -46.4 45.1 -54.2 -7.7 108 109 X R H ><>S+ 0 0 2 -4,-2.1 5,-2.5 -5,-0.2 3,-1.9 0.965 112.4 51.7 -68.2 -46.8 44.4 -51.6 -10.3 109 110 X Y H ><5S+ 0 0 12 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.834 101.7 61.9 -59.0 -33.2 44.8 -48.7 -7.8 110 111 X N H 3<5S+ 0 0 116 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.718 107.5 44.7 -62.1 -24.9 48.2 -50.1 -6.7 111 112 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1,-0.3 -1,-0.2 0.769 100.7 58.6 -62.3 -30.7 43.6 -38.0 -29.4 141 142 X I H << S+ 0 0 20 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.842 104.5 50.4 -64.0 -35.5 44.0 -41.7 -28.5 142 143 X F H X< S+ 0 0 0 -4,-1.1 3,-2.2 -3,-1.0 -1,-0.2 0.692 80.3 121.3 -79.6 -15.4 40.4 -42.0 -27.4 143 144 X K T 3< S- 0 0 73 -4,-0.9 13,-0.0 -3,-0.3 -3,-0.0 -0.219 91.0 -9.6 -53.9 119.0 38.9 -40.5 -30.6 144 145 X G T 3 S+ 0 0 43 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.518 98.6 137.9 80.0 -1.1 36.6 -42.9 -32.3 145 146 X R < - 0 0 62 -3,-2.2 -1,-0.2 1,-0.1 5,-0.1 -0.707 50.7-126.8 -91.3 130.7 37.5 -45.9 -30.1 146 147 X R >> - 0 0 155 -2,-0.4 3,-2.4 1,-0.1 4,-0.7 -0.281 31.1-105.1 -62.0 154.7 35.0 -48.3 -28.7 147 148 X R G >4 S+ 0 0 78 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.866 121.2 51.2 -50.9 -39.0 34.9 -49.1 -25.0 148 149 X N G 34 S+ 0 0 138 1,-0.2 -1,-0.3 4,-0.0 3,-0.1 0.432 103.7 58.5 -87.3 5.0 36.5 -52.5 -25.6 149 150 X E G <4 S+ 0 0 52 -3,-2.4 2,-0.3 2,-0.1 -1,-0.2 0.491 108.2 38.9-102.3 -15.4 39.4 -51.1 -27.7 150 151 X V S << S- 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0 0 77 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.858 108.6 52.6 -61.9 -33.9 35.9 -30.7 -16.6 190 191 X K H X S+ 0 0 37 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.860 105.9 52.5 -71.2 -39.3 37.6 -33.6 -18.5 191 192 X V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.957 112.9 45.1 -58.2 -47.3 34.4 -34.5 -20.3 192 193 X I H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.923 112.8 51.4 -62.4 -42.6 34.0 -30.8 -21.4 193 194 X Q H X S+ 0 0 41 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.942 112.3 47.7 -54.6 -46.5 37.7 -30.7 -22.4 194 195 X Y H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 3,-0.4 0.935 112.8 45.0 -66.3 -52.5 37.2 -33.9 -24.4 195 196 X L H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.915 109.5 56.5 -59.2 -40.5 34.0 -32.8 -26.3 196 197 X A H X S+ 0 0 18 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.806 113.7 42.7 -59.1 -33.5 35.5 -29.3 -27.0 197 198 X S H < S+ 0 0 35 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.906 119.2 38.5 -81.2 -50.6 38.3 -31.0 -28.7 198 199 X V H < S+ 0 0 25 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.835 134.2 24.1 -70.2 -23.9 36.6 -33.8 -30.6 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