==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 17-JAN-08 3BZ9 . COMPND 2 MOLECULE: MYOSIN-2 HEAVY CHAIN, NON MUSCLE; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR J.S.ALLINGHAM,I.RAYMENT . 703 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 10.8 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 42 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 2 0 2 1 4 4 3 0 1 1 0 3 1 1 0 1 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 3 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 5 2 4 1 1 2 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 . 3 4 1 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 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 N >> 0 0 114 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 101.9 40.2 37.4 78.6 2 3 A P T 34 + 0 0 56 0, 0.0 9,-0.3 0, 0.0 6,-0.3 0.777 360.0 69.4 -61.7 -29.2 36.5 38.4 77.8 3 4 A I T 34 S+ 0 0 16 1,-0.2 138,-0.0 7,-0.1 148,-0.0 0.845 108.5 32.1 -50.4 -45.2 36.2 34.8 76.5 4 5 A H T <4 S+ 0 0 143 -3,-0.8 2,-0.8 1,-0.0 -1,-0.2 0.665 100.5 92.4 -94.5 -17.3 36.4 33.4 80.1 5 6 A D >< - 0 0 76 -4,-1.3 3,-1.6 1,-0.1 6,-0.4 -0.683 62.5-157.8 -81.0 108.4 34.7 36.4 81.8 6 7 A R T 3 S+ 0 0 79 -2,-0.8 -1,-0.1 1,-0.3 12,-0.1 0.684 90.3 56.7 -59.8 -21.5 30.9 35.7 82.1 7 8 A T T 3 S+ 0 0 124 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.520 83.2 110.8 -88.5 -9.4 30.2 39.5 82.4 8 9 A S S <> S- 0 0 16 -3,-1.6 4,-2.4 -6,-0.3 5,-0.1 -0.156 80.8-116.8 -60.2 157.2 31.9 40.5 79.0 9 10 A D H > S+ 0 0 98 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.874 117.3 62.9 -59.2 -39.3 29.9 41.7 76.0 10 11 A Y H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.934 109.5 37.3 -48.9 -50.4 31.3 38.6 74.3 11 12 A H H > S+ 0 0 46 -6,-0.4 4,-1.6 -9,-0.3 -2,-0.2 0.932 116.1 53.6 -67.0 -46.7 29.4 36.3 76.8 12 13 A K H < S+ 0 0 92 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 124.5 23.1 -55.9 -45.2 26.4 38.6 76.9 13 14 A Y H < S+ 0 0 80 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.616 132.2 32.0-103.3 -15.4 25.9 38.6 73.1 14 15 A L H < S+ 0 0 6 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.453 104.2 72.4-123.1 -4.9 27.6 35.4 71.7 15 16 A K S < S- 0 0 51 -4,-1.6 2,-0.2 -5,-0.3 3,-0.1 -0.855 84.1-103.6-121.0 147.6 27.2 32.8 74.5 16 17 A V - 0 0 58 -2,-0.3 2,-0.1 70,-0.2 3,-0.1 -0.492 48.4-109.4 -63.2 130.4 24.3 30.9 75.8 17 18 A K - 0 0 89 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.0 -0.391 39.7 -90.2 -62.1 136.3 23.1 32.4 79.1 18 19 A Q - 0 0 177 -2,-0.1 -1,-0.1 -12,-0.1 2,-0.1 -0.203 43.5-129.0 -41.5 122.2 23.8 30.4 82.3 19 20 A G - 0 0 33 -3,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.408 23.8-127.0 -74.0 160.1 20.8 28.1 83.1 20 21 A D > - 0 0 99 -2,-0.1 4,-2.9 1,-0.0 5,-0.1 -0.378 29.5 -88.0-103.7-177.8 19.3 28.2 86.6 21 22 A S H > S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.786 125.8 53.7 -62.6 -32.3 18.5 25.7 89.3 22 23 A D H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.948 111.2 46.1 -65.5 -47.7 15.0 24.9 87.8 23 24 A L H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.915 107.9 57.9 -59.1 -42.0 16.7 24.2 84.4 24 25 A F H X S+ 0 0 139 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.915 105.2 50.4 -53.0 -48.6 19.3 22.1 86.2 25 26 A K H X S+ 0 0 120 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.887 112.0 47.2 -53.8 -46.1 16.6 19.9 87.6 26 27 A L H < S+ 0 0 114 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.855 109.0 55.8 -63.5 -34.3 15.1 19.5 84.1 27 28 A T H < S+ 0 0 52 -4,-2.6 56,-0.2 1,-0.2 -2,-0.2 0.824 108.6 45.3 -71.8 -30.0 18.5 18.8 82.6 28 29 A V H < S+ 0 0 85 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.508 85.0 125.2 -94.3 -8.7 19.2 15.8 85.0 29 30 A S < - 0 0 50 -4,-0.7 -3,-0.0 -3,-0.4 -4,-0.0 -0.214 59.7-142.2 -48.9 137.2 15.7 14.2 84.6 30 31 A D + 0 0 163 2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.404 67.1 115.1 -80.3 -5.2 15.6 10.5 83.4 31 32 A K - 0 0 112 19,-0.0 2,-0.3 1,-0.0 21,-0.1 -0.370 54.5-148.9 -70.5 152.6 12.5 11.4 81.2 32 33 A R - 0 0 97 19,-0.5 19,-3.2 49,-0.1 2,-0.3 -0.939 10.1-157.6-127.7 148.6 12.8 11.1 77.4 33 34 A Y E -A 50 0A 72 46,-0.4 46,-2.6 -2,-0.3 2,-0.3 -0.845 7.4-156.7-134.9 158.3 11.0 13.1 74.7 34 35 A I E -AB 49 78A 2 15,-1.9 15,-2.7 44,-0.3 2,-0.6 -0.948 20.7-128.3-134.9 143.1 9.9 12.9 71.1 35 36 A W E +AB 48 77A 9 42,-3.7 42,-0.6 -2,-0.3 2,-0.3 -0.907 41.2 171.1 -93.1 120.3 9.1 15.6 68.5 36 37 A Y E -A 47 0A 14 11,-2.1 11,-2.7 -2,-0.6 3,-0.1 -0.896 37.2-113.4-129.3 157.6 5.7 14.8 67.0 37 38 A N - 0 0 30 -2,-0.3 9,-0.2 9,-0.2 6,-0.1 -0.841 14.2-162.7 -88.2 108.6 3.2 16.5 64.7 38 39 A P S S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 0.893 92.8 37.8 -52.9 -37.7 -0.1 17.3 66.5 39 40 A D S > S- 0 0 66 6,-0.4 3,-1.3 3,-0.3 6,-0.3 -0.953 73.2-160.8-119.7 113.2 -1.5 17.6 63.0 40 41 A P T 3 S+ 0 0 99 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.687 92.6 62.6 -70.0 -16.8 -0.2 15.1 60.4 41 42 A K T 3 S+ 0 0 90 1,-0.2 2,-0.8 2,-0.1 -2,-0.0 0.812 102.3 56.7 -69.9 -28.2 -1.3 17.4 57.5 42 43 A E X + 0 0 104 -3,-1.3 3,-1.2 1,-0.1 -3,-0.3 -0.788 67.6 176.4-109.8 85.1 1.2 19.9 58.9 43 44 A R T 3 S+ 0 0 88 -2,-0.8 -1,-0.1 1,-0.2 -2,-0.1 0.617 74.4 52.4 -70.5 -14.3 4.6 18.2 59.0 44 45 A D T 3 S+ 0 0 7 1,-0.0 2,-0.7 2,-0.0 -1,-0.2 0.407 86.2 89.3-106.8 1.2 6.7 21.2 60.2 45 46 A S < + 0 0 33 -3,-1.2 -6,-0.4 -6,-0.3 2,-0.3 -0.870 61.9 175.3-103.7 110.7 4.6 22.0 63.2 46 47 A Y - 0 0 33 -2,-0.7 2,-0.3 -9,-0.2 -9,-0.2 -0.852 18.8-170.6-119.6 147.0 6.0 20.0 66.1 47 48 A E E -A 36 0A 100 -11,-2.7 -11,-2.1 -2,-0.3 2,-0.5 -0.848 31.0-106.4-122.9 172.5 5.3 19.7 69.8 48 49 A C E -A 35 0A 37 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.832 34.6-173.5-100.0 130.6 7.2 17.9 72.5 49 50 A G E -A 34 0A 2 -15,-2.7 -15,-1.9 -2,-0.5 2,-0.3 -0.984 25.1-119.3-126.5 134.5 5.8 14.7 74.0 50 51 A E E -A 33 0A 43 -2,-0.4 12,-2.3 -17,-0.2 2,-0.6 -0.492 25.9-127.4 -68.1 127.2 7.0 12.5 76.9 51 52 A I E +C 61 0B 19 -19,-3.2 -19,-0.5 -2,-0.3 10,-0.3 -0.702 32.0 176.3 -73.5 116.9 7.9 8.9 75.9 52 53 A V E - 0 0 62 8,-2.7 2,-0.3 -2,-0.6 9,-0.2 0.693 59.0 -8.9 -99.1 -25.3 5.8 6.8 78.4 53 54 A S E -C 60 0B 64 7,-1.6 7,-2.8 2,-0.0 2,-0.3 -0.977 57.7-159.2-161.1 169.3 6.6 3.3 77.2 54 55 A E E -C 59 0B 96 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.987 3.2-161.5-148.6 158.0 8.3 1.4 74.5 55 56 A T - 0 0 71 3,-2.1 5,-0.0 -2,-0.3 -2,-0.0 -0.353 55.5 -73.7-111.1-155.5 8.3 -2.1 72.9 56 57 A S S S+ 0 0 116 -2,-0.2 3,-0.0 1,-0.1 -2,-0.0 0.807 130.9 15.0 -66.2 -30.6 10.9 -3.7 70.6 57 58 A D S S+ 0 0 77 16,-0.1 16,-2.4 1,-0.0 17,-0.5 0.344 119.9 49.6-131.7 5.3 9.8 -1.5 67.7 58 59 A S E - D 0 72B 0 14,-0.3 -3,-2.1 15,-0.1 2,-0.3 -0.950 53.5-143.3-149.3 159.6 7.7 1.4 69.0 59 60 A F E -CD 54 71B 4 12,-2.5 12,-1.9 -2,-0.3 2,-0.4 -0.952 11.0-151.3-120.4 146.8 7.4 4.3 71.5 60 61 A T E +CD 53 70B 25 -7,-2.8 -8,-2.7 -2,-0.3 -7,-1.6 -0.982 24.5 178.3-113.9 134.0 4.2 5.5 73.2 61 62 A F E -CD 51 69B 8 8,-2.8 8,-2.6 -2,-0.4 -10,-0.2 -0.942 30.4-112.3-133.8 151.2 4.2 9.2 74.1 62 63 A K E - D 0 68B 93 -12,-2.3 2,-0.3 -2,-0.3 6,-0.2 -0.490 30.6-140.0 -69.9 148.4 1.9 11.7 75.7 63 64 A T - 0 0 10 4,-2.3 -13,-0.1 2,-0.2 -14,-0.1 -0.739 25.6-107.1-106.0 164.6 0.6 14.5 73.4 64 65 A V 0 0 73 -2,-0.3 -1,-0.1 -15,-0.0 -2,-0.0 0.834 360.0 360.0 -63.5 -34.1 0.3 18.2 74.6 65 66 A D 0 0 136 -3,-0.0 -2,-0.2 2,-0.0 0, 0.0 0.158 360.0 360.0 -72.5 360.0 -3.5 18.1 74.8 66 ! 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 67 68 A Q 0 0 98 0, 0.0 -4,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 177.2 -4.1 11.7 74.5 68 69 A D E -D 62 0B 90 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.964 360.0-174.3-115.2 143.2 -1.3 9.1 74.1 69 70 A R E -D 61 0B 88 -8,-2.6 -8,-2.8 -2,-0.4 2,-0.3 -0.905 13.8-140.3-130.1 166.7 0.0 8.0 70.7 70 71 A Q E -D 60 0B 115 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.869 16.3-179.5-124.8 153.1 2.4 5.4 69.4 71 72 A V E -D 59 0B 35 -12,-1.9 -12,-2.5 -2,-0.3 2,-0.2 -0.975 35.9-102.7-150.0 142.9 5.1 5.6 66.6 72 73 A K E > -D 58 0B 97 -2,-0.3 3,-1.6 -14,-0.2 4,-0.5 -0.472 29.9-126.5 -62.7 138.0 7.5 3.1 65.2 73 74 A K G > S+ 0 0 60 -16,-2.4 3,-0.9 1,-0.3 -15,-0.1 0.820 111.9 60.9 -55.9 -29.6 11.0 3.7 66.5 74 75 A D G 3 S+ 0 0 159 -17,-0.5 -1,-0.3 1,-0.2 -16,-0.1 0.739 109.9 40.4 -71.5 -22.4 12.1 3.8 62.8 75 76 A D G < S+ 0 0 114 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 0.355 92.3 118.6-101.6 3.4 9.8 6.8 62.3 76 77 A A < - 0 0 21 -3,-0.9 2,-0.9 -4,-0.5 -40,-0.1 -0.553 51.6-156.0 -87.1 129.9 10.6 8.6 65.5 77 78 A N E -B 35 0A 49 -42,-0.6 -42,-3.7 -2,-0.3 2,-0.1 -0.835 26.2-156.7 -96.2 90.6 12.1 12.1 65.8 78 79 A Q E -B 34 0A 35 -2,-0.9 2,-0.4 -44,-0.2 -44,-0.3 -0.395 13.6-121.4 -70.6 142.1 13.6 11.8 69.3 79 80 A R - 0 0 49 -46,-2.6 -46,-0.4 -30,-0.2 -1,-0.1 -0.699 29.7-115.2 -80.0 136.0 14.2 15.0 71.2 80 81 A N - 0 0 7 -2,-0.4 5,-0.1 15,-0.2 -1,-0.1 -0.371 40.4 -87.4 -63.2 147.4 17.8 15.5 72.2 81 82 A P > - 0 0 61 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.363 45.7-119.0 -47.7 136.2 18.7 15.6 75.9 82 83 A I G > S+ 0 0 40 1,-0.3 3,-1.4 -56,-0.2 -55,-0.1 0.574 108.5 79.5 -68.8 -9.0 18.1 19.3 76.7 83 84 A K G 3 S+ 0 0 153 1,-0.2 -1,-0.3 -56,-0.2 -56,-0.0 0.778 90.4 58.8 -63.5 -22.9 21.8 19.7 77.7 84 85 A F G X S+ 0 0 32 -3,-2.8 3,-2.2 2,-0.1 2,-0.4 0.583 77.7 115.0 -77.1 -11.1 22.2 19.9 73.9 85 86 A D T < S+ 0 0 39 -3,-1.4 19,-0.1 1,-0.3 20,-0.0 -0.461 85.2 14.0 -68.8 116.6 19.8 22.9 73.7 86 87 A G T 3 S+ 0 0 5 -2,-0.4 -1,-0.3 1,-0.2 -70,-0.2 0.428 86.6 166.9 98.6 -0.4 21.9 25.8 72.5 87 88 A V < - 0 0 24 -3,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.186 35.9-138.5 -55.3 143.9 24.9 23.7 71.3 88 89 A E S S+ 0 0 50 1,-0.2 29,-3.0 28,-0.1 2,-0.4 0.730 90.5 35.6 -77.6 -28.5 27.3 25.7 69.1 89 90 A D B > -e 117 0C 23 27,-0.2 3,-1.5 29,-0.1 -1,-0.2 -0.979 68.1-157.7-130.1 115.8 28.0 22.9 66.6 90 91 A M G > S+ 0 0 0 27,-2.5 3,-1.6 -2,-0.4 28,-0.1 0.594 82.8 82.5 -74.7 -7.6 25.1 20.7 65.7 91 92 A S G 3 S+ 0 0 25 1,-0.3 -1,-0.3 26,-0.1 27,-0.1 0.750 87.1 62.8 -63.9 -16.6 27.3 17.8 64.6 92 93 A E G < S+ 0 0 114 -3,-1.5 -1,-0.3 -8,-0.1 -2,-0.2 0.550 76.1 115.3 -80.3 -11.3 27.4 17.0 68.3 93 94 A L < - 0 0 3 -3,-1.6 3,-0.1 1,-0.1 8,-0.0 -0.362 61.2-145.2 -60.2 144.2 23.7 16.4 68.6 94 95 A S S S+ 0 0 62 1,-0.2 2,-0.6 -13,-0.1 -1,-0.1 0.928 92.0 43.4 -73.7 -47.7 22.8 12.7 69.6 95 96 A Y S S- 0 0 73 -14,-0.1 2,-0.8 2,-0.0 -1,-0.2 -0.892 73.3-164.0-102.3 118.7 19.7 12.8 67.5 96 97 A L + 0 0 18 -2,-0.6 2,-0.3 -3,-0.1 -18,-0.1 -0.873 38.3 127.1-100.0 99.1 20.1 14.4 64.0 97 98 A N > - 0 0 15 -2,-0.8 4,-2.5 1,-0.1 5,-0.3 -0.957 68.1 -97.3-149.2 167.5 16.6 15.1 62.8 98 99 A E H > S+ 0 0 60 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.929 118.6 41.2 -58.9 -55.4 14.5 18.0 61.4 99 100 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.849 115.7 51.7 -64.4 -32.0 12.7 19.1 64.5 100 101 A A H > S+ 0 0 4 2,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.896 112.1 45.7 -67.9 -41.9 15.8 18.7 66.7 101 102 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.974 116.3 46.1 -65.0 -50.8 18.0 20.8 64.3 102 103 A F H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.928 110.5 54.0 -56.9 -43.8 15.3 23.4 64.1 103 104 A H H X S+ 0 0 15 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.892 106.9 50.3 -58.3 -41.1 14.9 23.3 67.8 104 105 A N H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.915 111.8 47.2 -65.4 -40.4 18.6 24.0 68.4 105 106 A L H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.865 111.1 54.5 -63.5 -37.1 18.5 27.0 66.0 106 107 A R H X S+ 0 0 63 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.918 106.4 49.7 -61.5 -48.5 15.3 28.1 67.8 107 108 A V H X S+ 0 0 27 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.928 115.3 43.4 -59.6 -45.0 17.0 28.1 71.3 108 109 A R H ><>S+ 0 0 3 -4,-1.9 5,-2.8 1,-0.2 3,-1.5 0.951 113.9 49.6 -67.0 -43.8 19.9 30.1 70.0 109 110 A Y H ><5S+ 0 0 9 -4,-2.7 3,-2.7 1,-0.3 -2,-0.2 0.880 101.6 63.1 -61.1 -40.4 17.8 32.6 68.0 110 111 A N H 3<5S+ 0 0 118 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.668 108.6 43.5 -58.7 -23.4 15.5 33.2 71.0 111 112 A Q T <<5S- 0 0 73 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.037 125.3-102.0-108.3 21.3 18.6 34.6 72.7 112 113 A D T < 5S+ 0 0 54 -3,-2.7 2,-0.9 1,-0.2 -3,-0.2 0.714 77.1 141.3 61.2 27.4 19.8 36.6 69.7 113 114 A L < + 0 0 6 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.828 17.3 166.7 -97.3 92.0 22.5 33.9 68.9 114 115 A I + 0 0 6 -2,-0.9 11,-2.3 -3,-0.1 2,-0.4 0.633 51.1 77.0 -87.1 -17.2 22.1 34.0 65.1 115 116 A Y E + F 0 124C 3 37,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.856 51.7 159.1-103.3 131.6 25.3 32.0 64.3 116 117 A T E - 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0 0 77 -5,-0.6 -1,-0.2 -6,-0.5 -2,-0.2 -0.962 62.9-112.9-130.2 133.2 46.0 28.8 48.5 171 172 A N - 0 0 38 -2,-0.4 471,-2.4 469,-0.4 2,-0.3 -0.345 37.5-155.6 -62.4 143.0 43.3 31.2 47.4 172 173 A Q E -hi 443 642C 0 270,-2.1 272,-2.4 469,-0.3 2,-0.3 -0.832 9.4-156.6-119.8 160.5 40.0 31.0 49.4 173 174 A S E -hi 444 643C 0 469,-2.1 471,-2.2 -2,-0.3 2,-0.5 -0.994 9.4-151.3-136.7 151.2 36.3 31.8 48.8 174 175 A L E -hi 445 644C 0 270,-2.6 272,-2.6 -2,-0.3 2,-0.7 -0.980 15.4-165.2-118.5 116.2 33.4 32.5 51.1 175 176 A L E -hi 446 645C 0 469,-2.9 471,-2.6 -2,-0.5 2,-0.7 -0.912 2.2-167.7-110.1 110.3 30.1 31.4 49.5 176 177 A I E - i 0 646C 1 270,-1.4 272,-0.4 -2,-0.7 471,-0.2 -0.893 10.4-170.5-106.2 108.7 27.2 32.9 51.3 177 178 A T E + i 0 647C 8 469,-2.8 471,-2.4 -2,-0.7 2,-0.2 -0.559 20.3 123.7 -97.2 164.1 23.9 31.3 50.2 178 179 A G - 0 0 4 -2,-0.2 273,-0.7 469,-0.2 471,-0.1 -0.653 54.6 -94.8 159.0 148.9 20.3 32.3 50.9 179 180 A E B > S-l 451 0D 36 469,-0.3 3,-1.9 271,-0.3 5,-0.3 -0.290 74.4 -59.1 -69.0 169.2 16.9 33.2 49.4 180 181 A S T 3 S+ 0 0 4 271,-3.3 -1,-0.2 1,-0.2 273,-0.1 -0.234 127.2 16.4 -54.1 132.4 16.2 36.9 49.0 181 182 A G T 3 S+ 0 0 4 -3,-0.1 -1,-0.2 47,-0.1 46,-0.1 0.444 88.2 120.0 88.8 -1.9 16.3 38.9 52.3 182 183 A A S < S- 0 0 1 -3,-1.9 -56,-0.4 466,-0.1 467,-0.4 0.753 89.1 -94.8 -72.1 -29.3 18.2 36.1 54.2 183 184 A G S > S+ 0 0 11 -4,-0.2 4,-2.4 465,-0.2 5,-0.2 0.550 79.4 132.8 128.6 18.8 21.3 38.2 55.1 184 185 A K H > S+ 0 0 12 -5,-0.3 4,-2.5 1,-0.2 5,-0.1 0.915 78.2 44.7 -62.3 -47.7 23.9 37.5 52.4 185 186 A T H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 113.1 50.6 -66.8 -40.7 24.8 41.1 51.8 186 187 A E H > S+ 0 0 87 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.923 113.8 45.1 -65.3 -41.7 25.0 42.0 55.5 187 188 A N H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.901 108.9 56.8 -66.9 -35.2 27.3 39.0 56.1 188 189 A T H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.935 105.3 51.5 -57.1 -50.5 29.4 39.8 53.1 189 190 A K H X S+ 0 0 55 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.849 108.9 51.1 -56.7 -36.4 30.0 43.3 54.6 190 191 A K H X S+ 0 0 43 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.857 107.6 52.2 -72.1 -35.7 31.2 41.7 57.9 191 192 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.955 113.1 44.6 -60.6 -51.2 33.6 39.4 56.1 192 193 A I H X S+ 0 0 19 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.919 113.2 50.9 -57.3 -51.2 35.1 42.4 54.3 193 194 A Q H X S+ 0 0 48 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.903 112.9 46.7 -51.3 -45.5 35.2 44.5 57.6 194 195 A Y H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.920 113.0 46.6 -68.3 -48.1 36.9 41.7 59.4 195 196 A L H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.876 111.6 52.0 -61.7 -39.0 39.5 41.0 56.7 196 197 A A H < S+ 0 0 7 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.869 114.2 44.6 -70.4 -37.5 40.3 44.7 56.3 197 198 A S H >< S+ 0 0 43 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.960 118.6 38.6 -67.1 -57.3 40.8 45.0 60.1 198 199 A V H 3< S+ 0 0 27 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.797 129.9 31.2 -71.3 -27.1 42.9 41.9 60.7 199 200 A A T 3< S+ 0 0 1 -4,-2.3 47,-2.8 -5,-0.3 -1,-0.2 0.314 102.5 110.3-107.4 5.0 45.0 42.2 57.5 200 201 A G < 0 0 23 -3,-0.6 -3,-0.1 -4,-0.4 -4,-0.0 -0.061 360.0 360.0 -81.8 175.5 45.0 46.0 57.2 201 202 A R 0 0 196 -5,-0.1 4,-0.3 44,-0.1 3,-0.1 -0.968 360.0 360.0-131.0 360.0 47.5 48.9 57.6 202 ! 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 0.0 203 210 A V > 0 0 112 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -48.5 43.3 55.0 52.8 204 211 A L H > + 0 0 28 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.890 360.0 49.9 -59.6 -46.2 43.0 51.7 50.8 205 212 A E H > S+ 0 0 21 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.840 111.5 49.0 -62.2 -39.9 41.0 49.9 53.5 206 213 A Q H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.879 110.3 50.9 -64.7 -40.6 38.7 52.9 53.8 207 214 A Q H X S+ 0 0 30 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.879 107.3 53.6 -68.4 -35.7 38.2 52.9 50.0 208 215 A I H >< S+ 0 0 11 -4,-2.4 3,-0.5 1,-0.2 4,-0.5 0.947 113.3 43.6 -60.9 -43.5 37.4 49.1 50.0 209 216 A L H >< S+ 0 0 55 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.820 110.7 53.7 -70.2 -33.9 34.7 49.7 52.6 210 217 A Q H 3X S+ 0 0 40 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.594 89.7 77.7 -83.2 -11.4 33.3 52.9 50.9 211 218 A A H XX S+ 0 0 3 -4,-1.0 4,-2.4 -3,-0.5 3,-0.6 0.880 87.3 63.8 -55.9 -36.9 32.8 51.0 47.6 212 219 A N H <> S+ 0 0 25 -3,-0.7 4,-3.1 -4,-0.5 5,-0.2 0.853 95.3 49.6 -68.9 -45.2 29.7 49.4 49.1 213 220 A P H 3> S+ 0 0 32 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.761 112.8 52.2 -63.0 -25.0 27.4 52.3 49.8 214 221 A I H - 0 0 36 -3,-0.3 -3,-3.2 1,-0.1 3,-1.0 -0.919 53.4-148.1-158.3 127.0 13.8 42.7 51.0 227 234 A N T 3 S+ 0 0 51 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.653 108.4 35.7 -69.2 -19.4 13.9 46.5 51.6 228 235 A N T 3 S+ 0 0 38 -6,-0.1 -1,-0.3 -3,-0.1 2,-0.2 -0.350 85.7 172.5-127.2 53.4 17.5 46.5 50.6 229 236 A S E < -M 221 0E 4 -8,-1.6 -8,-2.2 -3,-1.0 2,-0.5 -0.437 32.6-129.5 -72.6 127.0 17.5 43.9 47.9 230 237 A S E -M 220 0E 8 -10,-0.2 -10,-0.2 -2,-0.2 220,-0.2 -0.675 20.4-171.5 -67.9 119.2 20.7 43.4 45.8 231 238 A R S S+ 0 0 4 -12,-2.8 26,-2.3 -2,-0.5 2,-0.3 0.261 71.5 43.7-103.8 13.4 19.6 43.6 42.1 232 239 A F S S- 0 0 2 24,-0.2 2,-0.2 -13,-0.2 24,-0.2 -0.960 81.6-129.6-144.2 149.2 23.1 42.5 40.9 233 240 A G - 0 0 8 22,-0.4 21,-2.7 -2,-0.3 2,-0.3 -0.643 25.0-166.5 -92.9 160.5 25.3 39.8 42.2 234 241 A K E -JK 253 447C 3 213,-2.0 213,-3.1 -2,-0.2 2,-0.5 -0.997 22.6-152.8-146.6 150.4 29.0 40.3 43.0 235 242 A F E -JK 252 446C 6 17,-2.3 17,-2.7 -2,-0.3 2,-0.6 -0.996 22.5-157.3-116.4 117.2 32.2 38.4 43.7 236 243 A I E -JK 251 445C 11 209,-2.7 209,-2.4 -2,-0.5 2,-0.8 -0.885 0.9-158.2-100.0 113.7 34.6 40.5 45.9 237 244 A E E -JK 250 444C 35 13,-3.0 13,-1.7 -2,-0.6 2,-0.5 -0.824 2.5-162.0 -90.9 110.8 38.3 39.6 45.7 238 245 A I E -JK 249 443C 1 205,-3.6 205,-2.3 -2,-0.8 2,-0.3 -0.835 19.3-149.2 -88.8 124.2 40.1 40.8 48.8 239 246 A Q E -JK 248 442C 16 9,-2.3 8,-2.3 -2,-0.5 9,-1.3 -0.803 16.7-174.7-107.5 142.9 43.8 40.8 47.8 240 247 A F E -JK 246 441C 0 201,-2.4 200,-2.5 -2,-0.3 201,-2.1 -0.929 19.9-125.0-132.8 150.1 46.8 40.2 50.0 241 248 A N > - 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0 0 28 -21,-2.7 373,-0.1 -2,-0.3 -19,-0.0 -0.582 46.5 -43.1-113.6 174.5 27.2 40.5 37.4 255 262 A L - 0 0 61 -2,-0.2 -22,-0.4 -23,-0.1 2,-0.3 -0.072 58.8-136.0 -48.3 131.7 24.3 41.5 35.3 256 263 A L - 0 0 26 -24,-0.2 2,-2.6 -3,-0.1 -24,-0.2 -0.664 19.9-114.6 -85.7 140.9 22.1 44.2 36.8 257 264 A E > + 0 0 13 -26,-2.3 3,-1.4 -2,-0.3 4,-0.2 -0.406 45.4 169.7 -71.9 75.1 18.3 44.1 36.8 258 265 A K G > + 0 0 47 -2,-2.6 3,-1.9 1,-0.3 4,-0.4 0.772 63.4 73.8 -61.0 -32.2 18.0 47.1 34.4 259 266 A S G >> S+ 0 0 19 1,-0.3 4,-1.5 -3,-0.2 3,-1.0 0.816 83.1 69.7 -55.2 -26.4 14.3 46.6 33.9 260 267 A R G <4 S+ 0 0 8 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.759 85.2 68.7 -62.9 -24.8 13.6 47.9 37.4 261 268 A V G <4 S+ 0 0 0 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.875 113.6 26.8 -61.3 -37.2 14.7 51.5 36.2 262 269 A V T <4 S+ 0 0 17 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.2 0.587 128.2 35.0-104.5 -15.5 11.5 51.8 34.0 263 270 A F < + 0 0 123 -4,-1.5 2,-0.4 36,-0.0 -1,-0.2 -0.994 53.5 175.4-146.5 134.0 9.1 49.4 35.9 264 271 A Q - 0 0 5 -2,-0.3 3,-0.1 -3,-0.1 6,-0.1 -0.997 27.8-125.1-138.0 137.3 8.3 48.4 39.5 265 272 A S > - 0 0 48 -2,-0.4 3,-1.8 1,-0.2 38,-0.1 -0.311 55.4 -63.6 -66.4 162.0 5.5 46.1 40.8 266 273 A E T 3 S+ 0 0 158 1,-0.2 38,-0.2 -2,-0.1 -1,-0.2 -0.172 122.2 11.1 -56.1 141.8 3.2 47.4 43.5 267 274 A T T 3 S+ 0 0 66 36,-2.5 -1,-0.2 1,-0.3 37,-0.1 0.027 105.7 110.3 76.4 -19.4 4.9 48.3 46.9 268 275 A E < - 0 0 6 -3,-1.8 37,-0.4 35,-0.1 2,-0.3 -0.125 57.6-139.3 -74.8 172.8 8.4 48.0 45.4 269 276 A R - 0 0 0 -47,-2.2 -4,-0.1 -3,-0.1 3,-0.1 -0.920 13.1-116.5-125.5 161.8 10.8 50.9 44.7 270 277 A N S S- 0 0 0 -2,-0.3 -48,-0.6 1,-0.2 -9,-0.1 -0.134 70.7 -46.6 -69.7-178.7 13.2 51.8 41.9 271 278 A Y B >> -N 221 0E 0 -50,-0.2 3,-1.2 1,-0.1 4,-0.7 -0.266 58.2-117.2 -55.7 144.2 16.9 51.9 42.8 272 279 A H H >> S+ 0 0 17 -52,-1.8 4,-2.5 -56,-0.4 3,-0.9 0.842 106.6 71.4 -53.4 -43.4 17.7 53.8 46.1 273 280 A I H 3> S+ 0 0 0 -56,-3.0 4,-2.7 1,-0.3 -1,-0.3 0.800 91.7 57.4 -45.8 -39.3 19.7 56.5 44.3 274 281 A F H <> S+ 0 0 0 -3,-1.2 4,-1.9 -57,-0.2 -1,-0.3 0.910 111.8 40.6 -61.4 -43.8 16.7 58.0 42.7 275 282 A Y H - 0 0 81 -2,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.094 37.7-101.5 -48.9 159.0 20.2 71.2 47.6 283 290 A A T 4 S+ 0 0 70 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.772 124.6 34.3 -64.9 -26.8 17.4 73.5 46.6 284 291 A E T > S+ 0 0 24 2,-0.3 4,-1.6 3,-0.1 -1,-0.2 0.432 106.5 64.5-112.8 -11.0 19.4 74.6 43.5 285 292 A E H > S+ 0 0 34 2,-0.2 4,-1.1 3,-0.1 -2,-0.2 0.856 111.2 44.7 -56.6 -38.4 21.0 71.3 42.9 286 293 A K H <>S+ 0 0 40 -4,-2.3 5,-2.8 1,-0.2 4,-0.3 0.838 111.9 50.1 -74.3 -32.2 17.3 70.6 42.3 287 294 A K H >45S+ 0 0 160 -4,-0.4 3,-0.9 3,-0.2 -1,-0.2 0.929 111.4 48.4 -71.1 -45.1 16.7 73.8 40.3 288 295 A A H 3<5S+ 0 0 64 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.713 115.3 43.5 -69.4 -24.5 19.6 73.1 38.0 289 296 A L T 3<5S- 0 0 4 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.381 109.3-122.1-100.9 2.1 18.5 69.4 37.4 290 297 A H T < 5 + 0 0 96 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.2 0.856 56.7 163.5 55.1 44.1 14.9 70.5 37.0 291 298 A L < + 0 0 18 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.637 18.2 162.5 -94.4 144.8 13.9 68.1 39.8 292 299 A A - 0 0 46 -2,-0.3 -1,-0.0 1,-0.2 5,-0.0 -0.477 50.6 -43.0-127.3-147.8 10.8 67.9 41.9 293 300 A G > - 0 0 30 -2,-0.2 3,-2.3 1,-0.1 4,-0.2 -0.389 55.4-106.0 -81.9 161.8 9.3 65.2 44.2 294 301 A P G > S+ 0 0 33 0, 0.0 3,-2.0 0, 0.0 6,-0.3 0.820 116.9 65.9 -57.9 -32.8 9.2 61.4 43.4 295 302 A E G 3 S+ 0 0 75 1,-0.3 6,-0.1 5,-0.1 5,-0.0 0.693 92.6 64.9 -60.6 -18.5 5.4 61.6 42.7 296 303 A S G < S+ 0 0 64 -3,-2.3 2,-0.5 1,-0.1 -1,-0.3 0.547 92.1 76.6 -76.5 -9.8 6.3 63.8 39.7 297 304 A F X> - 0 0 5 -3,-2.0 3,-2.4 -4,-0.2 4,-1.4 -0.917 67.1-149.9-118.7 123.2 8.1 61.0 37.9 298 305 A N T 34 S+ 0 0 75 -2,-0.5 4,-0.3 1,-0.3 3,-0.2 0.822 101.7 57.0 -53.8 -34.4 6.6 58.1 36.0 299 306 A Y T 34 S+ 0 0 7 46,-0.3 -1,-0.3 1,-0.2 -29,-0.1 0.555 119.3 30.8 -77.2 -5.7 9.6 55.9 36.9 300 307 A L T <4 S+ 0 0 0 -3,-2.4 -2,-0.2 -6,-0.3 -1,-0.2 0.392 112.3 61.0-125.3 -6.7 9.0 56.6 40.7 301 308 A N S < S+ 0 0 65 -4,-1.4 -2,-0.1 -3,-0.2 -3,-0.1 0.148 83.5 74.3-117.1 19.8 5.2 57.0 41.0 302 309 A Q S S+ 0 0 81 -4,-0.3 -1,-0.1 -5,-0.1 -3,-0.1 0.812 86.9 56.2-100.7 -36.3 3.7 53.7 39.8 303 310 A S S S- 0 0 4 2,-0.2 -36,-2.5 -37,-0.1 -35,-0.1 0.698 98.4-124.1 -75.0 -22.3 4.4 51.3 42.6 304 311 A G S S+ 0 0 78 -38,-0.2 2,-0.4 -4,-0.1 -1,-0.1 0.421 82.2 98.0 91.7 -0.4 2.6 53.3 45.4 305 312 A C + 0 0 15 -37,-0.4 -2,-0.2 1,-0.1 -1,-0.1 -0.978 27.2 150.5-129.7 118.4 5.8 53.3 47.5 306 313 A V + 0 0 42 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.455 67.0 52.5-115.0 -11.3 8.3 56.1 47.7 307 314 A D - 0 0 116 5,-0.0 2,-0.5 6,-0.0 -1,-0.1 -0.932 66.9-142.4-128.0 151.3 9.7 55.7 51.3 308 315 A I > - 0 0 6 3,-0.4 3,-2.4 -2,-0.3 5,-0.1 -0.953 35.7-100.7-114.3 131.3 11.1 52.7 53.2 309 316 A K T 3 S+ 0 0 90 -2,-0.5 3,-0.1 1,-0.3 -82,-0.0 -0.201 106.5 5.0 -44.8 119.6 10.3 52.2 56.9 310 317 A G T 3 S+ 0 0 91 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.551 105.4 115.3 82.4 7.9 13.2 53.4 59.0 311 318 A V < - 0 0 54 -3,-2.4 2,-0.7 4,-0.0 -3,-0.4 -0.948 49.8-160.3-119.5 127.4 15.2 54.8 56.1 312 319 A S > - 0 0 33 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 -0.917 2.2-167.8-100.8 110.2 16.0 58.4 55.5 313 320 A D H > S+ 0 0 12 -2,-0.7 4,-2.0 1,-0.2 -33,-0.2 0.853 89.5 55.3 -67.4 -33.8 16.8 58.7 51.8 314 321 A S H > S+ 0 0 38 2,-0.2 4,-1.5 -35,-0.2 -1,-0.2 0.937 109.7 45.1 -61.4 -48.0 18.2 62.2 52.5 315 322 A E H > S+ 0 0 123 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.899 112.6 52.0 -65.7 -39.5 20.7 60.8 55.2 316 323 A E H X S+ 0 0 69 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.879 102.7 59.1 -63.2 -35.9 21.6 57.9 52.8 317 324 A F H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.920 103.6 51.9 -57.3 -46.0 22.4 60.4 50.1 318 325 A K H X S+ 0 0 120 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.883 110.5 48.8 -52.5 -43.3 25.0 62.1 52.4 319 326 A I H X S+ 0 0 68 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.899 110.4 50.0 -68.1 -40.3 26.6 58.7 52.9 320 327 A T H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.958 113.1 46.6 -65.7 -47.6 26.6 57.9 49.2 321 328 A R H X S+ 0 0 56 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.903 112.1 50.0 -59.8 -44.1 28.3 61.3 48.5 322 329 A Q H X S+ 0 0 116 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.913 111.3 49.6 -59.1 -43.8 30.8 60.8 51.3 323 330 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.923 109.7 51.0 -62.5 -42.9 31.6 57.4 49.9 324 331 A M H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-1.7 0.914 110.1 50.6 -59.3 -42.4 32.1 58.9 46.4 325 332 A D H <5S+ 0 0 80 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.931 111.2 48.0 -57.7 -48.5 34.5 61.5 47.9 326 333 A I H <5S+ 0 0 71 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 111.1 48.6 -64.0 -41.8 36.5 58.8 49.7 327 334 A V H <5S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.812 122.0-108.8 -70.7 -27.5 36.8 56.6 46.6 328 335 A G T <5 + 0 0 52 -4,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.656 57.3 159.4 112.5 18.9 37.9 59.6 44.6 329 336 A F < - 0 0 9 -5,-2.5 -1,-0.3 1,-0.1 -2,-0.1 -0.622 42.6-122.3 -70.0 127.5 35.1 60.7 42.3 330 337 A S > - 0 0 53 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.082 20.1-107.9 -62.1 165.3 35.7 64.3 41.4 331 338 A Q H > S+ 0 0 134 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.873 122.6 48.2 -66.1 -35.7 33.1 66.9 42.0 332 339 A E H > S+ 0 0 92 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.877 109.7 53.4 -70.2 -39.7 32.3 67.2 38.3 333 340 A E H > S+ 0 0 30 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.965 110.7 46.6 -59.3 -52.2 32.1 63.4 38.0 334 341 A Q H X S+ 0 0 3 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.857 111.1 51.1 -54.6 -41.3 29.6 63.4 40.8 335 342 A M H X S+ 0 0 54 -4,-1.9 4,-2.8 2,-0.2 3,-0.3 0.981 110.4 49.4 -61.9 -54.9 27.6 66.2 39.2 336 343 A S H X S+ 0 0 10 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.894 107.5 55.8 -51.1 -44.2 27.6 64.3 35.9 337 344 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.926 110.7 43.6 -51.8 -49.0 26.4 61.1 37.8 338 345 A F H X S+ 0 0 0 -4,-2.1 4,-3.4 -3,-0.3 5,-0.2 0.871 109.2 56.9 -72.4 -33.0 23.4 63.0 39.2 339 346 A K H X S+ 0 0 71 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.881 107.8 48.9 -57.9 -39.5 22.7 64.6 35.8 340 347 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.944 112.8 47.3 -66.5 -45.6 22.4 61.1 34.3 341 348 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.934 115.1 45.5 -60.1 -51.9 20.1 60.1 37.2 342 349 A A H X S+ 0 0 0 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.905 111.3 52.8 -56.7 -44.6 17.9 63.3 36.7 343 350 A G H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.2 -2,-0.2 0.872 105.9 53.8 -65.7 -35.7 17.9 62.9 32.9 344 351 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.929 108.6 49.6 -58.8 -46.0 16.6 59.3 33.2 345 352 A L H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -46,-0.3 0.927 112.9 47.3 -60.0 -42.8 13.8 60.6 35.4 346 353 A H H >X S+ 0 0 10 -4,-2.2 3,-1.6 1,-0.2 4,-0.6 0.948 107.9 54.2 -63.1 -49.5 13.0 63.2 32.7 347 354 A L H >< S+ 0 0 0 -4,-3.2 3,-1.2 1,-0.3 -1,-0.2 0.875 104.8 56.2 -49.8 -37.8 13.1 60.7 29.9 348 355 A G H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.725 101.5 58.2 -72.9 -19.6 10.5 58.6 31.8 349 356 A N H << S+ 0 0 48 -3,-1.6 2,-0.3 -4,-0.7 -1,-0.3 0.554 76.8 113.9 -84.0 -12.1 8.2 61.7 31.8 350 357 A I << - 0 0 3 -3,-1.2 2,-0.7 -4,-0.6 15,-0.1 -0.473 54.9-156.2 -60.4 126.2 8.2 62.0 28.0 351 358 A K - 0 0 121 13,-0.4 12,-0.4 -2,-0.3 13,-0.4 -0.887 4.7-161.7-113.2 104.5 4.6 61.2 26.8 352 359 A F - 0 0 8 -2,-0.7 2,-0.3 52,-0.2 10,-0.2 -0.493 12.4-178.7 -73.2 147.9 4.3 60.0 23.2 353 360 A E E -O 361 0F 71 8,-1.8 8,-3.0 -2,-0.2 2,-0.2 -0.955 34.4 -84.5-139.6 166.2 0.9 60.2 21.5 354 361 A K E -O 360 0F 126 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.473 41.2-157.8 -65.6 134.8 -0.5 59.3 18.1 355 362 A G - 0 0 17 4,-2.0 -1,-0.1 2,-0.2 6,-0.1 0.038 48.8 -66.0 -86.8-154.0 -0.1 61.8 15.3 356 363 A A S S+ 0 0 109 4,-0.1 4,-0.1 -2,-0.0 -2,-0.1 0.895 123.9 28.5 -66.6 -41.4 -2.2 62.1 12.2 357 364 A G S S- 0 0 46 2,-0.2 -2,-0.2 3,-0.0 0, 0.0 0.036 113.8 -72.7 -94.5-151.8 -1.0 58.8 11.0 358 365 A E S S+ 0 0 78 -4,-0.1 46,-0.3 2,-0.1 2,-0.0 0.724 101.1 95.8 -79.9 -22.5 0.2 55.7 12.8 359 366 A G S S- 0 0 9 44,-0.1 -4,-2.0 1,-0.1 44,-0.3 -0.311 78.0-111.1 -71.6 150.2 3.6 57.2 13.9 360 367 A A E -O 354 0F 2 42,-3.3 2,-0.3 27,-0.2 -6,-0.2 -0.395 29.0-163.5 -78.1 159.0 4.0 58.9 17.3 361 368 A V E -O 353 0F 48 -8,-3.0 -8,-1.8 -2,-0.1 2,-0.6 -0.909 18.6-133.0-130.0 164.4 4.4 62.6 18.0 362 369 A L + 0 0 11 -2,-0.3 -10,-0.1 -10,-0.2 3,-0.1 -0.941 28.2 166.6-117.1 108.9 5.6 64.7 20.9 363 370 A K S S+ 0 0 157 -2,-0.6 2,-0.7 -12,-0.4 -1,-0.2 0.842 73.1 48.7 -86.2 -38.8 3.2 67.6 21.5 364 371 A D + 0 0 108 -13,-0.4 -13,-0.4 1,-0.1 4,-0.3 -0.909 63.1 177.8-106.3 116.6 4.6 68.4 25.0 365 372 A K > + 0 0 77 -2,-0.7 4,-2.8 1,-0.1 5,-0.3 0.232 47.4 107.8-101.2 13.4 8.4 68.7 24.9 366 373 A T H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.957 85.3 39.1 -56.4 -59.2 9.1 69.7 28.5 367 374 A A H > S+ 0 0 17 -18,-0.2 4,-3.2 2,-0.2 5,-0.3 0.921 115.9 54.1 -56.0 -45.7 10.6 66.4 29.7 368 375 A L H > S+ 0 0 1 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.932 112.2 43.5 -53.8 -50.4 12.5 66.0 26.4 369 376 A N H X S+ 0 0 71 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.892 113.4 50.5 -65.7 -44.3 14.1 69.4 26.8 370 377 A A H X S+ 0 0 8 -4,-2.6 4,-2.4 -5,-0.3 5,-0.3 0.963 113.0 47.1 -59.4 -48.9 14.9 68.9 30.5 371 378 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.930 112.9 48.9 -55.0 -45.6 16.5 65.5 29.7 372 379 A S H X>S+ 0 0 4 -4,-2.4 5,-2.0 -5,-0.3 4,-1.8 0.924 110.0 51.7 -68.2 -38.9 18.5 67.0 26.8 373 380 A T H <5S+ 0 0 93 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.964 114.2 41.3 -58.3 -52.3 19.7 69.9 28.9 374 381 A V H <5S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 119.2 45.4 -71.8 -28.3 21.0 67.7 31.8 375 382 A F H <5S- 0 0 1 -4,-2.4 223,-0.6 -5,-0.3 -1,-0.2 0.716 107.0-126.5 -81.1 -22.5 22.5 65.1 29.4 376 383 A G T <5 + 0 0 20 -4,-1.8 221,-2.0 1,-0.3 2,-0.3 0.912 64.6 129.2 74.7 44.4 24.1 67.7 27.1 377 384 A V < - 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0 0 38 -4,-2.2 4,-3.9 -5,-0.3 3,-1.6 -0.746 65.2-154.3 -86.2 111.8 34.3 53.6 25.6 608 615 A P H 3> S+ 0 0 82 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.743 91.0 62.1 -62.9 -22.2 34.0 50.1 23.9 609 616 A N H 34 S+ 0 0 131 1,-0.1 -2,-0.0 2,-0.1 -3,-0.0 0.801 121.2 24.2 -71.4 -24.6 34.5 48.3 27.2 610 617 A I H <4 S+ 0 0 12 -3,-1.6 -1,-0.1 -7,-0.2 -6,-0.1 0.792 137.0 31.1 -96.4 -41.7 31.4 50.0 28.5 611 618 A A H < S+ 0 0 17 -4,-3.9 -2,-0.1 -8,-0.3 2,-0.1 0.796 95.5 87.1 -93.9 -36.5 29.5 50.7 25.3 612 619 A S < - 0 0 67 -4,-0.9 2,-0.4 -5,-0.4 -6,-0.0 -0.380 60.5-147.5 -76.1 145.2 30.5 48.0 22.7 613 620 A R - 0 0 66 -2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 -0.956 20.3-116.5-111.2 135.6 28.6 44.7 22.5 614 621 A A - 0 0 58 -2,-0.4 7,-2.3 6,-0.1 2,-0.4 -0.195 28.9-123.8 -60.6 155.8 30.2 41.4 21.5 615 622 A K E -T 620 0I 78 5,-0.3 2,-0.7 6,-0.0 5,-0.3 -0.914 15.3-163.6-108.8 130.8 29.2 39.6 18.3 616 623 A K E > -T 619 0I 66 3,-3.5 3,-2.7 -2,-0.4 2,-0.1 -0.935 69.8 -75.2 -97.0 99.2 28.0 36.0 17.9 617 624 A G T 3 S+ 0 0 80 -2,-0.7 4,-0.1 1,-0.3 -1,-0.0 -0.202 119.8 2.2 45.8-107.4 28.5 35.8 14.1 618 625 A A T 3 S+ 0 0 81 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.604 129.8 54.6 -84.9 -12.9 25.7 37.9 12.5 619 626 A N E < S-T 616 0I 90 -3,-2.7 -3,-3.5 3,-0.0 2,-0.1 -0.882 86.2-101.3-124.7 150.7 24.1 39.0 15.8 620 627 A F E -T 615 0I 127 -2,-0.3 -5,-0.3 -5,-0.3 -6,-0.1 -0.447 57.3 -86.5 -59.4 137.3 25.0 40.8 19.0 621 628 A I - 0 0 20 -7,-2.3 -1,-0.1 -2,-0.1 -7,-0.1 -0.202 49.5-124.9 -43.2 125.1 25.5 38.4 22.1 622 629 A T > - 0 0 18 1,-0.1 4,-2.5 -3,-0.1 -40,-0.2 -0.346 17.8-111.8 -74.3 165.5 22.1 37.8 23.8 623 630 A V H > S+ 0 0 23 -42,-2.2 4,-3.7 2,-0.2 5,-0.2 0.922 120.6 55.0 -63.7 -42.7 21.6 38.5 27.5 624 631 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 110.4 46.2 -53.8 -43.1 21.2 34.7 28.0 625 632 A A H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 113.0 48.7 -70.0 -40.6 24.7 34.3 26.4 626 633 A Q H X S+ 0 0 44 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.949 111.6 50.7 -58.7 -49.9 26.1 37.1 28.4 627 634 A Y H X S+ 0 0 14 -4,-3.7 4,-3.1 1,-0.2 -2,-0.2 0.936 110.4 49.3 -52.6 -51.4 24.6 35.6 31.6 628 635 A K H X S+ 0 0 32 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.902 109.1 51.2 -60.7 -40.4 26.1 32.1 30.7 629 636 A E H X S+ 0 0 130 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.903 112.4 47.0 -61.9 -45.2 29.6 33.6 30.1 630 637 A Q H X S+ 0 0 50 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.951 114.0 47.2 -59.9 -46.5 29.5 35.4 33.5 631 638 A L H X S+ 0 0 14 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.927 112.9 48.4 -61.8 -46.2 28.2 32.3 35.3 632 639 A A H X S+ 0 0 62 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.915 111.7 50.2 -62.4 -42.1 30.9 30.1 33.6 633 640 A S H X S+ 0 0 52 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.937 111.4 49.0 -61.3 -41.9 33.6 32.6 34.5 634 641 A L H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.951 111.3 48.0 -59.5 -53.2 32.4 32.6 38.2 635 642 A M H X S+ 0 0 36 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.863 110.5 53.2 -59.5 -34.8 32.4 28.8 38.4 636 643 A A H X S+ 0 0 60 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.926 109.1 48.6 -66.1 -45.5 35.9 28.7 36.9 637 644 A T H >< S+ 0 0 46 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.891 108.3 53.9 -58.5 -41.1 37.2 31.2 39.5 638 645 A L H >< S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.821 100.8 60.3 -65.1 -33.3 35.6 29.2 42.4 639 646 A E H 3< S+ 0 0 99 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 98.9 58.1 -68.0 -24.5 37.4 26.0 41.2 640 647 A T T << S+ 0 0 86 -4,-0.8 -469,-0.4 -3,-0.7 2,-0.3 0.417 105.1 69.1 -78.6 3.3 40.7 27.8 41.8 641 648 A T S < S- 0 0 9 -3,-1.7 -469,-0.3 -471,-0.1 -198,-0.1 -0.833 81.7-119.6-124.7 158.1 39.7 28.4 45.4 642 649 A N E - 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