==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-JUN-11 3SOA . COMPND 2 MOLECULE: CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.H.CHAO,J.KURIYAN . 436 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 4 1 0 0 2 0 0 0 0 0 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 PARALLEL BRIDGES PER LADDER . 4 0 2 0 2 1 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 7 A T > 0 0 78 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -56.1 -23.1 -7.7 46.1 2 8 A R H > + 0 0 99 1,-0.2 4,-1.8 71,-0.2 3,-0.4 0.773 360.0 60.0 -81.3 -29.5 -25.8 -7.6 48.7 3 9 A F H > S+ 0 0 8 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.611 96.5 66.4 -71.9 -13.5 -28.6 -9.1 46.6 4 10 A T H 4 S+ 0 0 77 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.876 108.7 34.4 -70.9 -42.9 -26.4 -12.1 46.2 5 11 A E H < S+ 0 0 147 -4,-0.6 -2,-0.2 -3,-0.4 -3,-0.1 0.914 121.0 40.1 -80.6 -48.6 -26.6 -13.0 49.9 6 12 A E H < S+ 0 0 40 -4,-1.8 20,-3.2 20,-0.1 21,-0.6 0.807 107.9 60.6 -76.5 -31.5 -30.1 -12.0 51.0 7 13 A Y E < -A 25 0A 15 -4,-0.7 2,-0.4 -5,-0.2 18,-0.2 -0.701 59.0-151.0-110.3 148.6 -32.2 -13.2 48.0 8 14 A Q E -A 24 0A 104 16,-2.2 16,-1.8 -2,-0.3 2,-0.3 -0.956 21.9-135.7-113.8 142.4 -32.9 -16.4 46.1 9 15 A L E +A 23 0A 50 -2,-0.4 14,-0.2 14,-0.2 2,-0.2 -0.680 27.3 162.4-103.0 144.8 -33.8 -16.3 42.4 10 16 A F E - 0 0 68 12,-2.6 -1,-0.0 1,-0.3 14,-0.0 -0.565 43.4 -14.4-139.8-162.3 -36.5 -18.2 40.5 11 17 A E E - 0 0 96 -2,-0.2 11,-2.7 10,-0.2 -1,-0.3 0.102 66.4-103.1 -50.2 149.4 -38.4 -18.1 37.2 12 18 A E E -A 21 0A 101 9,-0.3 9,-0.3 1,-0.1 -1,-0.1 -0.459 25.8-172.3 -66.9 143.4 -38.4 -15.3 34.7 13 19 A L E - 0 0 75 7,-1.8 2,-0.2 1,-0.4 8,-0.2 0.792 65.4 -22.6 -97.5 -55.3 -41.5 -13.0 34.5 14 20 A G E - 0 0 25 6,-0.5 6,-1.6 2,-0.0 -1,-0.4 -0.820 59.0-130.1-147.3-175.3 -40.6 -10.9 31.5 15 21 A K E A 19 0A 83 -2,-0.2 4,-0.2 4,-0.2 6,-0.0 -0.994 360.0 360.0-148.1 154.3 -37.7 -9.7 29.3 16 22 A G 0 0 63 2,-2.6 -2,-0.0 -2,-0.3 0, 0.0 -0.829 360.0 360.0-176.6 360.0 -36.2 -6.6 27.6 17 ! 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 18 25 A S 0 0 20 0, 0.0 -2,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 162.5 -32.4 -7.0 31.0 19 26 A V E -AB 15 36A 26 17,-1.6 17,-2.4 -4,-0.2 2,-0.3 -0.993 360.0-137.9-144.3 135.2 -34.7 -9.7 32.6 20 27 A V E + B 0 35A 29 -6,-1.6 -7,-1.8 -2,-0.3 -6,-0.5 -0.711 31.3 174.0 -83.9 139.6 -37.5 -9.7 35.2 21 28 A R E -AB 12 34A 82 13,-1.5 13,-3.3 -2,-0.3 -9,-0.3 -0.995 31.4-117.0-147.7 143.3 -37.4 -12.6 37.6 22 29 A R E + B 0 33A 48 -11,-2.7 -12,-2.6 -2,-0.3 2,-0.3 -0.534 40.7 164.7 -72.5 142.0 -39.2 -13.7 40.7 23 30 A C E -AB 9 32A 0 9,-2.0 9,-2.2 -14,-0.2 2,-0.3 -0.880 26.1-139.1-141.8 177.9 -37.2 -14.0 43.9 24 31 A V E -AB 8 31A 32 -16,-1.8 -16,-2.2 -2,-0.3 2,-0.3 -0.988 22.1-120.1-142.1 135.1 -37.8 -14.2 47.6 25 32 A K E > -AB 7 30A 33 5,-3.0 5,-0.9 -2,-0.3 -18,-0.2 -0.593 19.6-159.3 -71.3 129.2 -35.9 -12.6 50.4 26 33 A V T 5S+ 0 0 90 -20,-3.2 3,-0.4 -2,-0.3 -1,-0.2 0.921 83.8 55.3 -74.0 -44.2 -34.4 -15.2 52.7 27 34 A L T 5S+ 0 0 127 -21,-0.6 2,-0.6 1,-0.3 -1,-0.1 0.922 127.5 14.9 -65.5 -54.3 -33.9 -13.1 55.8 28 35 A A T 5S- 0 0 68 -22,-0.1 -1,-0.3 2,-0.1 2,-0.3 -0.938 103.1-124.1-113.6 106.0 -37.5 -11.9 56.2 29 36 A G T 5 + 0 0 67 -2,-0.6 2,-0.3 -3,-0.4 -3,-0.2 -0.250 56.3 130.6 -65.0 115.0 -39.2 -14.3 53.9 30 37 A Q E < -B 25 0A 111 -5,-0.9 -5,-3.0 -2,-0.3 2,-0.2 -0.972 50.8-116.3-157.9 147.1 -41.1 -12.5 51.2 31 38 A E E +B 24 0A 104 -2,-0.3 53,-0.4 -7,-0.3 -7,-0.3 -0.498 36.1 162.1 -80.9 150.8 -41.5 -12.6 47.4 32 39 A Y E -B 23 0A 21 -9,-2.2 -9,-2.0 -2,-0.2 2,-0.4 -0.890 36.4-112.5-146.2-177.6 -40.5 -9.7 45.1 33 40 A A E -BC 22 82A 1 49,-1.4 49,-1.2 -2,-0.3 2,-0.5 -0.993 28.9-151.8-124.9 127.3 -39.8 -9.2 41.4 34 41 A A E -BC 21 81A 0 -13,-3.3 -13,-1.5 -2,-0.4 2,-0.6 -0.853 7.6-147.5-108.6 122.2 -36.2 -8.3 40.4 35 42 A M E -BC 20 80A 41 45,-2.7 45,-1.7 -2,-0.5 2,-0.9 -0.740 15.0-155.8 -78.9 120.4 -35.2 -6.3 37.3 36 43 A I E -BC 19 79A 16 -17,-2.4 -17,-1.6 -2,-0.6 2,-0.8 -0.849 11.3-173.3-102.0 104.7 -31.8 -7.6 36.2 37 44 A I E - C 0 78A 11 41,-2.4 41,-1.8 -2,-0.9 4,-0.1 -0.843 21.2-133.7-102.9 108.8 -30.2 -4.8 34.3 38 45 A N E - C 0 77A 17 -2,-0.8 39,-0.2 39,-0.2 38,-0.0 -0.239 22.7-111.8 -61.7 150.3 -27.0 -6.1 32.8 39 46 A T S S+ 0 0 87 37,-1.6 2,-0.8 1,-0.1 -1,-0.2 0.600 106.3 79.7 -61.9 -7.0 -24.0 -3.9 33.2 40 47 A K + 0 0 53 36,-0.2 -2,-0.2 1,-0.1 -1,-0.1 -0.880 54.6 129.9 -99.5 106.7 -24.3 -3.3 29.5 41 48 A K S S- 0 0 55 -2,-0.8 2,-0.1 -4,-0.1 -1,-0.1 0.587 82.2 -58.6-118.4 -90.6 -27.0 -0.8 29.0 42 49 A L > - 0 0 76 1,-0.6 4,-2.0 329,-0.1 5,-0.5 -0.571 64.3-109.8-144.9 96.5 -26.1 2.2 26.8 43 50 A S H > S- 0 0 70 1,-0.2 4,-1.4 2,-0.1 -1,-0.6 0.211 94.2 -10.8 24.4-120.4 -23.1 3.8 28.5 44 51 A A H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.926 127.9 61.5 -72.3 -53.9 -24.7 7.0 29.8 45 52 A R H > S+ 0 0 160 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.805 112.9 44.4 -50.6 -30.9 -28.2 7.5 28.3 46 53 A D H >X S+ 0 0 28 -4,-2.0 4,-1.8 2,-0.2 3,-0.6 0.946 107.8 52.9 -75.6 -53.2 -29.2 4.3 30.0 47 54 A H H 3X S+ 0 0 80 -4,-1.4 4,-1.8 -5,-0.5 5,-0.2 0.863 107.3 56.4 -54.8 -34.4 -27.5 4.9 33.4 48 55 A Q H 3X S+ 0 0 95 -4,-2.4 4,-1.5 1,-0.2 -1,-0.3 0.918 107.9 46.0 -61.8 -43.0 -29.4 8.2 33.6 49 56 A K H X S+ 0 0 103 -4,-1.8 4,-1.8 -5,-0.2 3,-0.9 0.952 111.0 50.3 -70.1 -53.5 -35.8 7.4 42.1 56 63 A I H 3X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.3 -2,-0.2 0.890 112.3 48.4 -50.8 -44.0 -39.4 7.9 40.8 57 64 A C H 3< S+ 0 0 18 -4,-2.1 11,-1.1 2,-0.3 -1,-0.3 0.661 106.0 55.7 -76.4 -19.9 -40.3 4.4 42.1 58 65 A R H << S+ 0 0 174 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.790 115.3 41.7 -75.7 -31.6 -38.9 5.2 45.5 59 66 A L H < S+ 0 0 63 -4,-1.8 2,-1.1 1,-0.1 -2,-0.3 0.779 99.6 79.2 -81.6 -33.0 -41.1 8.2 45.5 60 67 A L < + 0 0 9 -4,-2.1 2,-0.5 -5,-0.2 8,-0.3 -0.678 49.0 158.1 -89.0 105.6 -44.2 6.6 44.0 61 68 A K + 0 0 120 -2,-1.1 5,-0.1 6,-0.1 6,-0.1 -0.877 14.3 145.5-124.2 102.5 -46.0 4.7 46.7 62 69 A H B > -E 65 0B 18 3,-0.6 3,-1.2 -2,-0.5 53,-0.1 -0.919 56.9-123.3-130.3 149.9 -49.6 4.2 45.8 63 70 A P T 3 S+ 0 0 88 0, 0.0 81,-0.1 0, 0.0 4,-0.1 0.797 117.1 48.5 -63.6 -27.9 -51.8 1.2 46.6 64 71 A N T 3 S+ 0 0 21 47,-0.1 83,-1.4 2,-0.1 2,-0.4 0.336 104.7 71.9 -93.9 3.1 -52.3 0.8 42.8 65 72 A I B < S-Ef 62 147B 3 -3,-1.2 -3,-0.6 81,-0.2 83,-0.1 -0.981 88.4-110.7-125.9 131.3 -48.6 1.2 41.9 66 73 A V - 0 0 32 81,-0.7 2,-0.4 -2,-0.4 83,-0.1 -0.265 37.3-145.1 -51.9 128.9 -45.9 -1.4 42.4 67 74 A R - 0 0 103 -4,-0.1 16,-0.5 -6,-0.1 -9,-0.1 -0.839 6.6-129.6-105.9 142.4 -43.6 -0.0 45.1 68 75 A L E -D 82 0A 30 -11,-1.1 14,-0.3 -2,-0.4 3,-0.1 -0.210 15.1-168.8 -80.5 174.3 -39.8 -0.6 45.1 69 76 A H E - 0 0 91 12,-2.3 2,-0.3 1,-0.5 13,-0.2 0.557 63.0 -24.7-129.8 -64.5 -37.9 -1.9 48.1 70 77 A D E -D 81 0A 30 11,-0.8 11,-2.3 12,-0.1 -1,-0.5 -0.948 47.0-136.1-141.4 173.4 -34.2 -1.4 47.3 71 78 A S E -D 80 0A 50 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.918 25.9-164.7-130.3 111.3 -31.8 -1.1 44.3 72 79 A I E -D 79 0A 2 7,-1.3 7,-3.0 -2,-0.4 2,-0.7 -0.757 10.1-148.6-104.4 135.2 -28.6 -3.1 44.7 73 80 A S E +D 78 0A 77 -2,-0.4 5,-0.2 5,-0.2 -71,-0.2 -0.875 21.0 176.3-105.4 116.6 -25.5 -2.8 42.6 74 81 A E - 0 0 43 3,-1.8 5,-0.0 -2,-0.7 0, 0.0 -0.429 42.8 -90.0-102.3-178.5 -23.4 -5.9 42.0 75 82 A E S S+ 0 0 172 1,-0.2 -1,-0.0 -2,-0.1 3,-0.0 0.980 116.8 9.6 -58.5 -69.0 -20.3 -6.5 39.9 76 83 A G S S+ 0 0 31 -38,-0.0 -37,-1.6 -3,-0.0 2,-0.3 0.248 131.7 40.4-100.7 12.4 -21.6 -7.4 36.5 77 84 A H E -C 38 0A 63 -39,-0.2 -3,-1.8 -38,-0.1 2,-0.4 -0.976 61.3-142.5-151.4 161.3 -25.2 -6.6 37.2 78 85 A H E -CD 37 73A 27 -41,-1.8 -41,-2.4 -2,-0.3 2,-0.4 -0.979 18.2-154.1-125.2 148.1 -27.6 -4.2 38.8 79 86 A Y E -CD 36 72A 22 -7,-3.0 -7,-1.3 -2,-0.4 2,-0.5 -0.971 9.0-170.2-124.7 134.3 -30.8 -5.2 40.5 80 87 A L E -CD 35 71A 14 -45,-1.7 -45,-2.7 -2,-0.4 2,-0.8 -0.968 9.6-164.0-121.4 115.9 -34.0 -3.3 41.1 81 88 A I E +CD 34 70A 0 -11,-2.3 -12,-2.3 -2,-0.5 -11,-0.8 -0.820 21.5 154.3-110.5 103.3 -36.5 -4.8 43.4 82 89 A F E -CD 33 68A 52 -49,-1.2 -49,-1.4 -2,-0.8 -14,-0.3 -0.262 56.6 -51.5-100.7-169.0 -40.0 -3.4 43.3 83 90 A D - 0 0 49 -16,-0.5 -1,-0.2 -51,-0.2 -51,-0.1 -0.477 57.1-128.0 -73.7 138.1 -43.2 -5.3 44.2 84 91 A L + 0 0 18 -53,-0.4 2,-0.3 -2,-0.2 -51,-0.1 -0.406 28.0 175.3 -81.0 156.6 -43.9 -8.7 42.7 85 92 A V - 0 0 44 -2,-0.1 2,-0.2 -53,-0.1 53,-0.2 -0.972 29.1-166.4-153.5 149.0 -47.1 -10.0 40.9 86 93 A T B +i 138 0C 94 51,-0.8 53,-0.7 -2,-0.3 51,-0.1 -0.674 51.1 117.4-126.2 92.3 -48.7 -12.8 39.0 87 94 A G - 0 0 3 51,-0.3 51,-0.2 -2,-0.2 50,-0.1 0.530 62.4-129.6-119.2 -10.1 -51.8 -11.4 37.4 88 95 A G - 0 0 43 49,-0.1 48,-1.7 -3,-0.1 -1,-0.1 -0.103 51.1 -53.9 69.4 173.6 -51.5 -11.6 33.6 89 96 A E B > -G 135 0B 34 46,-0.2 4,-1.6 1,-0.1 46,-0.2 -0.434 45.4-128.4 -77.8 158.0 -52.2 -8.5 31.6 90 97 A L H > S+ 0 0 1 44,-1.5 4,-2.9 41,-0.4 3,-0.3 0.959 109.0 51.4 -72.6 -52.7 -55.4 -6.6 32.0 91 98 A F H > S+ 0 0 2 43,-0.4 4,-0.5 1,-0.3 -1,-0.2 0.647 114.0 51.0 -58.5 -16.9 -56.5 -6.4 28.3 92 99 A E H > S+ 0 0 67 2,-0.1 4,-0.9 3,-0.1 -1,-0.3 0.815 109.7 45.8 -84.6 -39.2 -55.8 -10.1 28.5 93 100 A D H >X S+ 0 0 50 -4,-1.6 4,-0.8 -3,-0.3 3,-0.7 0.922 106.4 60.1 -69.0 -44.3 -58.0 -10.8 31.6 94 101 A I H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.879 100.9 53.0 -51.6 -46.1 -60.9 -8.7 30.4 95 102 A V H 3< S+ 0 0 25 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.862 105.1 56.6 -60.7 -33.1 -61.4 -10.9 27.3 96 103 A A H << S+ 0 0 82 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.670 87.8 104.4 -70.5 -16.9 -61.5 -13.9 29.6 97 104 A R << - 0 0 63 -3,-1.3 3,-0.2 -4,-0.8 -3,-0.0 -0.377 60.9-156.1 -66.2 140.6 -64.4 -12.2 31.4 98 105 A E S S+ 0 0 137 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.625 85.7 44.4 -91.7 -14.6 -67.8 -13.5 30.7 99 106 A Y + 0 0 168 -5,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.833 66.1 167.9-131.1 106.6 -69.5 -10.3 31.7 100 107 A Y + 0 0 5 -2,-0.4 176,-1.8 -3,-0.2 2,-0.2 -0.941 13.8 155.3-117.6 125.5 -68.0 -7.0 30.4 101 108 A S >> - 0 0 13 -2,-0.5 4,-1.7 174,-0.2 3,-0.9 -0.780 61.4 -90.8-140.3 175.6 -70.0 -3.8 30.7 102 109 A E H 3> S+ 0 0 10 170,-2.3 4,-1.7 -2,-0.2 171,-0.2 0.820 125.5 59.4 -59.7 -26.4 -69.7 -0.1 30.9 103 110 A A H 3> S+ 0 0 19 169,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.695 102.8 47.4 -81.5 -21.2 -69.5 -0.8 34.7 104 111 A D H <> S+ 0 0 47 -3,-0.9 4,-0.8 2,-0.2 -1,-0.2 0.793 112.2 51.4 -81.6 -33.3 -66.4 -3.0 34.5 105 112 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.838 108.6 50.4 -71.9 -32.7 -64.7 -0.4 32.3 106 113 A S H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.768 105.4 57.6 -73.9 -26.6 -65.5 2.4 34.8 107 114 A H H X S+ 0 0 87 -4,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.752 110.7 44.8 -72.1 -26.3 -64.1 0.3 37.5 108 115 A C H X S+ 0 0 0 -4,-0.8 4,-2.6 2,-0.2 3,-0.3 0.960 110.3 48.3 -79.9 -62.3 -60.9 0.2 35.5 109 116 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.743 109.0 59.5 -53.4 -24.5 -60.5 3.8 34.5 110 117 A Q H X S+ 0 0 41 -4,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.975 108.3 40.2 -68.5 -53.9 -61.2 4.7 38.1 111 118 A Q H X S+ 0 0 24 -4,-1.0 4,-1.7 -3,-0.3 -2,-0.2 0.889 116.5 53.7 -61.1 -40.9 -58.2 2.7 39.6 112 119 A I H >X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 3,-0.9 0.981 107.9 46.5 -54.1 -62.4 -56.1 3.9 36.6 113 120 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.711 108.0 62.6 -56.5 -18.7 -56.9 7.6 37.2 114 121 A E H 3X S+ 0 0 85 -4,-1.1 4,-1.6 2,-0.2 -1,-0.3 0.901 105.5 41.1 -74.9 -42.9 -56.1 6.8 40.9 115 122 A A H X S+ 0 0 44 -4,-1.6 3,-0.7 1,-0.2 4,-0.6 0.960 112.8 36.7 -47.7 -62.6 -51.3 10.3 42.9 119 126 A C H ><>S+ 0 0 4 -4,-1.7 3,-1.4 1,-0.3 5,-1.1 0.871 108.8 61.8 -62.7 -42.0 -48.1 10.9 41.0 120 127 A H H ><5S+ 0 0 7 -4,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.825 106.5 49.7 -52.8 -30.1 -49.4 14.1 39.2 121 128 A Q H <<5S+ 0 0 131 -4,-1.7 -1,-0.3 -3,-0.7 -2,-0.2 0.706 106.8 56.6 -76.1 -22.9 -49.6 15.4 42.7 122 129 A M T <<5S- 0 0 89 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.278 119.7-107.6 -93.2 7.4 -46.0 14.2 43.2 123 130 A G T < 5S+ 0 0 15 -3,-0.6 2,-0.3 -4,-0.3 33,-0.2 0.919 80.5 118.8 68.8 45.6 -44.6 16.2 40.3 124 131 A V < - 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0 0 59 -5,-2.6 -1,-0.2 -6,-0.2 -19,-0.1 -0.800 61.8 -82.9-115.1 157.8 -44.8 22.1 21.9 182 189 A P + 0 0 78 0, 0.0 -19,-0.3 0, 0.0 2,-0.2 -0.254 57.6 178.1 -55.3 150.5 -44.0 22.2 25.6 183 190 A Y B +K 162 0E 4 -21,-4.4 -21,-2.3 -23,-0.1 2,-0.2 -0.788 17.5 165.8-145.6-169.2 -46.1 19.7 27.7 184 191 A G > - 0 0 1 -2,-0.2 3,-1.9 -23,-0.2 4,-0.3 -0.839 65.6 -14.5-177.0-155.2 -46.7 18.2 31.1 185 192 A K T >> S+ 0 0 22 1,-0.3 3,-2.4 -2,-0.2 4,-0.8 0.791 117.5 71.8 -41.9 -40.4 -49.1 16.1 33.1 186 193 A P H >> S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.800 81.9 68.9 -48.5 -39.4 -51.8 16.5 30.4 187 194 A V H <4 S+ 0 0 9 -3,-1.9 4,-0.5 1,-0.3 -13,-0.2 0.652 99.6 53.4 -60.7 -14.5 -50.0 14.2 27.9 188 195 A D H <> S+ 0 0 1 -3,-2.4 4,-1.6 -4,-0.3 -1,-0.3 0.826 103.9 52.9 -82.1 -39.2 -50.9 11.5 30.4 189 196 A L H > S+ 0 0 2 -4,-0.5 4,-2.0 -3,-0.2 3,-0.7 0.962 104.5 53.4 -62.4 -51.6 -53.5 8.5 26.8 192 199 A C H 3X S+ 0 0 0 -4,-1.6 4,-3.8 1,-0.3 -2,-0.2 0.850 106.8 54.4 -50.3 -38.9 -56.3 7.5 29.2 193 200 A G H 3X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.3 -1,-0.3 0.844 109.6 44.3 -66.9 -37.6 -58.7 8.9 26.7 194 201 A V H S- 0 0 57 1,-0.2 4,-1.9 -3,-0.1 3,-0.4 -0.669 77.7-156.3 -69.8 119.4 -48.8 5.4 7.3 211 218 A Q H > S+ 0 0 92 -2,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.743 90.8 64.2 -77.7 -19.6 -47.5 6.7 10.7 212 219 A H H > S+ 0 0 131 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.865 107.8 43.5 -64.5 -34.7 -47.3 10.2 9.2 213 220 A R H > S+ 0 0 135 -3,-0.4 4,-2.2 2,-0.2 3,-0.5 0.884 107.5 56.6 -79.1 -42.0 -51.1 9.9 8.8 214 221 A L H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.3 -2,-0.2 0.870 108.4 50.5 -54.4 -37.9 -51.8 8.4 12.2 215 222 A Y H X S+ 0 0 36 -4,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.780 105.4 55.5 -73.0 -28.3 -50.0 11.4 13.7 216 223 A Q H X S+ 0 0 113 -4,-0.7 4,-1.7 -3,-0.5 -2,-0.2 0.910 109.4 46.1 -72.2 -45.2 -52.1 13.8 11.7 217 224 A Q H X>S+ 0 0 49 -4,-2.2 5,-1.8 2,-0.2 4,-1.1 0.944 113.1 50.4 -56.4 -49.4 -55.3 12.3 13.0 218 225 A I H <5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.781 114.9 43.7 -65.9 -26.8 -53.7 12.4 16.5 219 226 A K H <5S+ 0 0 96 -4,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.672 118.3 45.1 -83.0 -23.2 -52.8 16.1 15.9 220 227 A A H <5S- 0 0 61 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.431 105.1-126.0 -98.1 -2.1 -56.3 16.8 14.4 221 228 A G T <5 + 0 0 19 -4,-1.1 2,-1.1 1,-0.2 -3,-0.2 0.917 44.1 173.3 53.7 48.9 -58.3 14.9 17.0 222 229 A A < + 0 0 50 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.2 -0.719 21.4 119.7 -98.2 102.1 -60.0 12.9 14.4 223 230 A Y - 0 0 51 -2,-1.1 2,-0.3 -3,-0.1 -17,-0.1 -0.934 32.8-176.8-149.5 158.3 -62.1 10.2 16.1 224 231 A D - 0 0 101 -2,-0.3 -2,-0.0 -19,-0.2 0, 0.0 -0.943 35.3-108.7-155.6 168.6 -65.7 9.6 15.9 225 232 A F - 0 0 53 -2,-0.3 2,-0.1 5,-0.0 5,-0.1 -0.778 39.0-154.9-112.9 84.3 -68.2 7.3 17.5 226 233 A P > - 0 0 40 0, 0.0 4,-1.1 0, 0.0 5,-0.2 -0.365 27.2 -94.2 -62.9 130.3 -69.2 5.0 14.6 227 234 A S T 4 S+ 0 0 84 1,-0.2 2,-0.1 2,-0.2 0, 0.0 -0.450 92.0 27.1 -79.6 159.2 -72.6 3.4 14.9 228 235 A P T >> S+ 0 0 94 0, 0.0 3,-2.7 0, 0.0 4,-0.7 -0.984 119.5 48.6 -75.5 -27.8 -73.9 0.7 15.9 229 236 A E T 34 S+ 0 0 60 1,-0.3 3,-0.3 2,-0.2 -2,-0.2 0.737 115.7 44.9 -57.2 -27.7 -71.3 -0.2 18.5 230 237 A W T >< S+ 0 0 0 -4,-1.1 3,-0.9 1,-0.2 -1,-0.3 0.482 95.6 78.8 -92.2 -4.4 -71.3 3.2 20.1 231 238 A D T <4 S+ 0 0 93 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.817 91.4 51.0 -74.4 -29.8 -75.1 3.5 20.0 232 239 A T T 3< S+ 0 0 77 -4,-0.7 2,-0.5 -3,-0.3 -1,-0.2 0.376 91.9 104.8 -88.5 5.2 -75.4 1.3 23.1 233 240 A V S < S- 0 0 6 -3,-0.9 5,-0.1 1,-0.1 -3,-0.0 -0.766 79.3-111.6 -95.9 126.8 -72.9 3.5 24.9 234 241 A T > - 0 0 24 -2,-0.5 4,-1.8 1,-0.2 3,-0.2 -0.170 21.1-127.1 -51.5 139.6 -74.0 6.0 27.6 235 242 A P H > S+ 0 0 97 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.666 110.7 62.5 -65.6 -15.6 -73.6 9.6 26.5 236 243 A E H > S+ 0 0 61 2,-0.2 4,-2.4 3,-0.1 3,-0.4 0.924 100.3 51.4 -69.8 -48.6 -71.6 10.1 29.8 237 244 A A H > S+ 0 0 0 1,-0.3 4,-2.0 -3,-0.2 3,-0.3 0.982 111.9 46.5 -46.5 -62.9 -69.1 7.6 28.6 238 245 A K H X S+ 0 0 47 -4,-1.8 4,-1.0 1,-0.2 -1,-0.3 0.735 108.8 59.1 -55.6 -24.0 -68.8 9.6 25.4 239 246 A D H >X S+ 0 0 44 -4,-0.8 4,-1.4 -3,-0.4 3,-0.6 0.957 104.8 45.0 -70.8 -52.2 -68.6 12.8 27.4 240 247 A L H >X S+ 0 0 0 -4,-2.4 4,-2.0 -3,-0.3 3,-1.7 0.969 109.5 58.6 -53.1 -51.7 -65.5 11.9 29.5 241 248 A I H 3X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 -1,-0.3 0.796 106.0 48.1 -49.2 -35.4 -63.9 10.6 26.3 242 249 A N H << S+ 0 0 68 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.754 109.1 54.4 -77.1 -24.6 -64.3 14.1 24.7 243 250 A K H << S+ 0 0 102 -3,-1.7 10,-1.8 -4,-1.4 3,-0.4 0.830 115.4 36.9 -79.1 -33.8 -62.9 15.7 27.8 244 251 A M H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.857 112.0 59.1 -80.0 -37.9 -59.6 13.7 27.8 245 252 A L S < S+ 0 0 5 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.2 0.126 76.9 136.1 -84.9 15.0 -59.3 13.7 24.0 246 253 A T - 0 0 35 -3,-0.4 6,-0.1 1,-0.1 -25,-0.1 -0.576 52.1-145.2 -65.6 124.7 -59.2 17.5 24.0 247 254 A I S S+ 0 0 67 -2,-0.4 -71,-0.2 -27,-0.1 -1,-0.1 0.880 84.2 69.3 -60.5 -46.0 -56.5 18.8 21.7 248 255 A N S >> S- 0 0 62 1,-0.2 3,-1.1 -73,-0.1 4,-1.1 -0.694 71.4-155.7 -80.7 114.2 -55.6 21.9 23.8 249 256 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.782 92.4 58.4 -61.7 -27.9 -53.9 20.6 27.0 250 257 A S T 34 S+ 0 0 107 1,-0.2 4,-0.1 -3,-0.0 -2,-0.0 0.777 112.1 40.7 -73.3 -26.8 -54.9 23.7 29.0 251 258 A K T <4 S+ 0 0 154 -3,-1.1 -1,-0.2 2,-0.1 2,-0.1 0.592 93.8 114.4 -91.0 -13.3 -58.5 22.9 28.3 252 259 A R S < S- 0 0 7 -4,-1.1 -8,-0.2 -6,-0.1 -9,-0.1 -0.345 79.3-102.8 -66.3 132.9 -57.9 19.2 28.8 253 260 A I - 0 0 16 -10,-1.8 -1,-0.1 -13,-0.1 -2,-0.1 -0.271 39.0-128.2 -53.9 130.8 -59.7 17.7 31.9 254 261 A T > - 0 0 62 1,-0.1 4,-1.3 -3,-0.1 5,-0.1 -0.238 19.8-110.4 -74.5 174.0 -57.2 17.2 34.7 255 262 A A H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -138,-0.2 0.856 120.4 54.4 -73.4 -34.4 -56.8 13.8 36.4 256 263 A A H >> S+ 0 0 45 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.896 109.2 48.0 -64.1 -40.1 -58.4 15.3 39.5 257 264 A E H 3> S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.826 105.1 59.5 -69.0 -31.8 -61.4 16.4 37.5 258 265 A A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.663 103.7 51.0 -75.6 -19.0 -61.8 13.0 35.8 259 266 A L H << S+ 0 0 28 -4,-0.8 6,-0.3 -3,-0.5 -1,-0.2 0.858 109.4 49.1 -82.2 -40.8 -62.3 11.2 39.1 260 267 A K H < S+ 0 0 173 -4,-1.2 -2,-0.2 1,-0.1 -3,-0.1 0.951 98.4 69.8 -65.7 -53.0 -65.0 13.6 40.4 261 268 A H S < S- 0 0 41 -4,-2.1 2,-0.7 1,-0.1 3,-0.2 -0.613 79.9-163.9 -64.5 109.7 -67.0 13.4 37.1 262 269 A P >> + 0 0 19 0, 0.0 4,-1.1 0, 0.0 5,-0.8 -0.599 47.3 139.5 -99.9 69.2 -68.1 9.8 37.6 263 270 A W T 45S+ 0 0 0 -2,-0.7 -26,-0.1 3,-0.2 -157,-0.1 0.547 101.4 40.8 -68.6 -5.9 -69.4 8.3 34.3 264 271 A I T >5S+ 0 0 0 -3,-0.2 4,-0.9 3,-0.1 7,-0.1 0.850 122.1 32.1 -99.1 -60.4 -67.3 5.8 36.2 265 272 A S H >5S+ 0 0 47 -6,-0.3 4,-0.6 2,-0.2 -2,-0.1 0.912 131.8 33.2 -69.9 -45.2 -68.2 6.1 39.9 266 273 A H H X5S+ 0 0 107 -4,-1.1 4,-5.3 2,-0.2 -3,-0.2 0.682 118.6 50.6 -83.6 -25.8 -71.9 7.1 39.4 267 274 A R H > + 0 0 41 -176,-1.8 4,-1.3 -2,-0.3 -1,-0.1 -0.820 21.0 173.3-101.2 104.6 -70.9 -6.6 24.9 277 284 A Q H > S+ 0 0 96 -2,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.879 75.0 55.1 -82.1 -37.3 -69.4 -9.8 23.5 278 285 A E H > S+ 0 0 149 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.937 107.7 49.4 -60.4 -48.8 -68.5 -8.5 20.1 279 286 A T H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.920 109.8 52.3 -54.5 -45.5 -66.4 -5.6 21.6 280 287 A V H X S+ 0 0 3 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.921 109.5 49.4 -61.1 -43.0 -64.7 -8.1 23.8 281 288 A D H X S+ 0 0 64 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.963 110.6 47.8 -60.1 -55.5 -63.8 -10.3 20.8 282 289 A C H X S+ 0 0 43 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.921 110.6 55.6 -48.9 -48.2 -62.4 -7.4 18.7 283 290 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.954 105.9 48.2 -47.7 -62.8 -60.4 -6.4 21.7 284 291 A K H X S+ 0 0 127 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.879 112.2 50.9 -47.6 -46.1 -58.8 -9.8 22.1 285 292 A K H X S+ 0 0 148 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.956 108.5 50.0 -58.7 -53.9 -57.9 -9.8 18.4 286 293 A F H X S+ 0 0 50 -4,-2.9 4,-2.9 -84,-0.3 5,-0.3 0.922 108.6 55.7 -48.8 -48.6 -56.4 -6.3 18.5 287 294 A N H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.934 107.4 46.1 -51.5 -56.0 -54.3 -7.5 21.5 288 295 A A H X S+ 0 0 61 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.920 113.2 52.0 -54.5 -45.5 -52.8 -10.5 19.7 289 296 A R H X S+ 0 0 112 -4,-2.5 4,-4.6 1,-0.2 5,-0.4 0.953 110.3 45.7 -56.6 -54.8 -52.1 -8.2 16.7 290 297 A R H X S+ 0 0 26 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.795 110.1 56.0 -61.3 -31.1 -50.2 -5.5 18.8 291 298 A K H < S+ 0 0 165 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.944 119.9 30.6 -65.0 -46.7 -48.3 -8.2 20.6 292 299 A L H >< S+ 0 0 61 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.868 129.3 39.8 -78.7 -39.7 -47.0 -9.6 17.2 293 300 A K H >< S+ 0 0 75 -4,-4.6 3,-0.6 -5,-0.3 -3,-0.2 0.847 106.7 61.4 -78.8 -36.4 -47.0 -6.2 15.4 294 301 A G T 3< S+ 0 0 55 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.1 0.295 75.0 121.1 -74.7 14.9 -45.7 -4.1 18.3 295 302 A A T < S- 0 0 37 -3,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.856 76.4 -15.3 -49.6 -56.9 -42.7 -6.3 18.0 296 303 A I < - 0 0 58 -3,-0.6 3,-0.4 1,-0.0 -1,-0.2 -0.998 39.5-142.1-154.0 152.2 -40.0 -3.7 17.3 297 304 A L S S+ 0 0 158 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.269 88.3 85.3 -95.0 8.0 -39.5 -0.1 16.3 298 305 A T + 0 0 19 78,-0.1 79,-1.6 2,-0.0 2,-0.6 0.240 62.3 113.3 -90.3 10.3 -36.3 -1.0 14.2 299 306 A V E -l 377 0F 65 -3,-0.4 2,-0.5 77,-0.1 79,-0.1 -0.777 40.4-179.9 -91.9 114.5 -38.4 -1.9 11.0 300 307 A M E +l 378 0F 95 77,-1.8 79,-0.8 -2,-0.6 2,-0.3 -0.940 30.0 93.2-117.6 123.1 -38.0 0.3 7.8 301 308 A L - 0 0 59 -2,-0.5 2,-0.4 78,-0.2 80,-0.1 -0.974 60.9-102.2 179.7 178.8 -39.9 -0.5 4.6 302 309 A A + 0 0 98 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.969 45.4 142.6-131.5 119.8 -43.0 0.3 2.5 303 310 A T - 0 0 76 -2,-0.4 2,-0.4 -94,-0.0 -2,-0.1 -0.865 40.0-131.2-137.1 175.8 -46.0 -2.1 2.2 304 311 A R - 0 0 196 -2,-0.3 -2,-0.0 -95,-0.0 0, 0.0 -0.859 69.8 -57.5-132.3 103.5 -49.8 -2.0 2.0 305 312 A N S S- 0 0 126 -2,-0.4 3,-0.1 1,-0.1 2,-0.1 0.822 77.6-173.1 33.8 67.3 -51.7 -4.3 4.4 306 313 A F - 0 0 76 1,-0.2 5,-0.2 2,-0.1 -1,-0.1 -0.304 37.4 -54.2 -90.0 177.0 -50.1 -7.6 3.2 307 314 A S >> - 0 0 60 1,-0.2 3,-2.5 2,-0.1 4,-1.5 -0.158 47.4-130.8 -52.7 131.1 -50.9 -11.2 4.0 308 315 A V H 3> S+ 0 0 104 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.737 108.2 68.7 -57.0 -20.2 -50.8 -11.5 7.8 309 316 A R H 3> S+ 0 0 148 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.747 98.7 48.8 -74.6 -22.2 -48.6 -14.5 7.0 310 317 A K H <> S+ 0 0 54 -3,-2.5 4,-1.9 2,-0.2 5,-0.2 0.909 108.6 52.1 -73.6 -47.2 -45.9 -12.0 5.8 311 318 A Q H X S+ 0 0 58 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.780 111.2 49.6 -59.5 -25.4 -46.4 -10.0 9.0 312 319 A E H X S+ 0 0 72 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.896 109.3 49.3 -77.6 -43.2 -45.8 -13.2 10.9 313 320 A I H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.656 109.9 52.4 -73.6 -22.5 -42.7 -14.2 9.0 314 321 A I H X S+ 0 0 37 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.925 105.8 53.5 -68.4 -53.8 -41.3 -10.7 9.6 315 322 A K H X S+ 0 0 34 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.838 111.5 48.2 -50.3 -37.1 -41.9 -11.0 13.3 316 323 A V H X S+ 0 0 16 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.954 105.9 52.0 -67.0 -56.0 -40.0 -14.3 13.2 317 324 A T H X S+ 0 0 6 -4,-1.6 4,-1.9 1,-0.2 3,-0.3 0.935 114.9 49.3 -45.1 -45.5 -36.9 -13.0 11.3 318 325 A E H X S+ 0 0 16 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.899 104.6 53.9 -61.9 -48.9 -37.0 -10.4 14.1 319 326 A Q H X S+ 0 0 81 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.835 110.1 51.1 -57.1 -33.5 -37.3 -12.8 17.0 320 327 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -3,-0.3 -1,-0.2 0.911 107.0 49.2 -71.2 -47.8 -34.2 -14.5 15.6 321 328 A I H X S+ 0 0 9 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.766 108.0 57.2 -66.2 -24.3 -32.0 -11.5 15.3 322 329 A E H X S+ 0 0 81 -4,-1.6 4,-2.0 2,-0.2 6,-0.2 0.888 106.2 48.8 -70.1 -41.5 -33.0 -10.6 18.9 323 330 A A H X>S+ 0 0 6 -4,-1.3 5,-1.9 2,-0.2 4,-1.5 0.909 108.7 55.3 -63.6 -44.4 -31.7 -13.9 20.1 324 331 A I H ><5S+ 0 0 38 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.969 111.9 40.3 -51.4 -63.2 -28.4 -13.3 18.2 325 332 A S H 3<5S+ 0 0 69 -4,-1.9 43,-0.5 1,-0.2 -1,-0.2 0.840 114.7 51.9 -56.3 -38.8 -27.6 -10.0 19.8 326 333 A N H 3<5S- 0 0 29 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.727 109.4-119.3 -75.5 -21.8 -28.7 -11.0 23.3 327 334 A G T <<5 + 0 0 15 -4,-1.5 2,-0.9 -3,-0.7 -3,-0.2 0.610 57.6 157.2 91.0 21.2 -26.6 -14.1 23.3 328 335 A D < + 0 0 38 -5,-1.9 4,-0.3 -6,-0.2 -1,-0.3 -0.674 11.4 167.4 -90.4 106.7 -29.6 -16.3 23.7 329 336 A F S > S+ 0 0 45 -2,-0.9 4,-2.3 2,-0.2 3,-0.3 0.841 70.1 62.2 -85.4 -41.4 -28.6 -19.7 22.4 330 337 A E H > S+ 0 0 141 1,-0.3 4,-1.4 2,-0.2 3,-0.2 0.940 110.7 43.0 -47.8 -50.3 -31.5 -21.7 23.8 331 338 A S H > S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.737 109.0 59.6 -69.5 -24.9 -33.8 -19.6 21.6 332 339 A Y H > S+ 0 0 6 -4,-0.3 4,-0.6 -3,-0.3 -1,-0.2 0.910 105.2 46.6 -73.5 -39.7 -31.4 -19.8 18.7 333 340 A T H < S+ 0 0 52 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.815 107.8 58.3 -69.1 -34.6 -31.6 -23.6 18.5 334 341 A K H < S+ 0 0 140 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.926 110.6 41.1 -58.6 -47.8 -35.4 -23.6 18.7 335 342 A M H < S+ 0 0 19 -4,-1.4 92,-2.6 91,-0.1 2,-0.4 0.536 108.8 74.3 -83.1 -6.4 -35.7 -21.3 15.6 336 343 A C E < S-m 427 0F 2 -4,-0.6 92,-0.2 -3,-0.3 90,-0.0 -0.894 83.5-116.2-115.2 139.0 -33.0 -23.1 13.6 337 344 A D E > - 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