==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-SEP-10 3ORO . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.C.GOOD,N.ECHOLS,T.N.LOMBANA,T.ALBER,TB STRUCTURAL GENOMICS . 272 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 1 0 0 2 0 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 9 A D 0 0 144 0, 0.0 22,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -26.0 49.1 15.1 5.5 2 10 A R + 0 0 80 1,-0.1 21,-3.0 20,-0.1 2,-0.4 0.863 360.0 54.5 -72.4 -38.7 47.8 16.0 9.0 3 11 A Y E -A 22 0A 69 19,-0.2 2,-0.6 20,-0.1 19,-0.2 -0.842 62.8-157.9-108.3 133.8 44.9 18.2 7.7 4 12 A E E -A 21 0A 120 17,-2.2 17,-2.3 -2,-0.4 2,-0.2 -0.951 27.9-134.2-105.5 111.1 42.1 17.2 5.3 5 13 A L E +A 20 0A 116 -2,-0.6 15,-0.3 15,-0.2 2,-0.1 -0.449 30.1 174.5 -72.9 134.2 40.8 20.5 3.9 6 14 A G E - 0 0 45 13,-3.7 -1,-0.1 1,-0.3 3,-0.1 -0.052 42.0 -25.1-111.3-142.9 37.0 20.9 3.8 7 15 A E E - 0 0 67 11,-0.1 12,-3.3 1,-0.1 -1,-0.3 -0.295 64.5-102.8 -75.6 153.2 34.7 23.8 2.8 8 16 A I E -A 18 0A 96 10,-0.3 10,-0.3 1,-0.1 -1,-0.1 -0.564 31.8-167.0 -69.9 136.9 35.6 27.5 3.0 9 17 A L E - 0 0 76 8,-3.5 2,-0.3 1,-0.3 9,-0.2 0.762 51.0 -48.0 -99.9 -35.5 33.9 29.0 6.1 10 18 A G E -A 17 0A 29 7,-1.5 7,-2.6 2,-0.0 -1,-0.3 -0.985 42.8-133.6-179.9 179.2 34.2 32.7 5.5 11 19 A F E -A 16 0A 149 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.974 12.5-173.3-150.9 158.7 36.3 35.7 4.6 12 20 A G - 0 0 40 3,-2.2 23,-0.0 -2,-0.3 -2,-0.0 -0.430 56.6 -58.7-128.5-152.2 37.0 39.2 5.9 13 21 A G S S+ 0 0 44 -2,-0.2 148,-0.1 147,-0.1 3,-0.1 0.727 131.0 8.0 -68.7 -22.9 39.0 42.3 4.7 14 22 A M S S+ 0 0 7 1,-0.1 21,-2.6 146,-0.1 2,-0.2 0.678 118.4 50.6-125.8 -38.0 42.3 40.3 4.6 15 23 A S E - B 0 34A 9 19,-0.3 -3,-2.2 21,-0.0 2,-0.4 -0.698 51.9-146.2-119.8 158.4 41.8 36.6 5.2 16 24 A E E -AB 11 33A 39 17,-3.0 17,-2.6 -2,-0.2 2,-0.4 -0.954 19.2-151.8-119.1 146.6 39.9 33.5 4.1 17 25 A V E -AB 10 32A 26 -7,-2.6 -8,-3.5 -2,-0.4 -7,-1.5 -0.975 10.6-168.7-126.5 126.9 39.1 30.8 6.6 18 26 A H E -AB 8 31A 34 13,-2.8 13,-3.3 -2,-0.4 2,-0.3 -0.872 22.9-120.0-117.4 147.2 38.6 27.1 5.7 19 27 A L E + B 0 30A 35 -12,-3.3 -13,-3.7 -2,-0.3 2,-0.3 -0.641 38.1 175.7 -78.8 138.3 37.3 24.1 7.6 20 28 A A E -AB 5 29A 1 9,-2.2 9,-2.5 -2,-0.3 2,-0.6 -0.973 29.0-128.4-139.8 156.4 39.8 21.3 8.0 21 29 A R E -AB 4 28A 99 -17,-2.3 -17,-2.2 -2,-0.3 2,-0.9 -0.946 16.7-142.8-105.0 122.6 39.9 17.9 9.8 22 30 A D E >> -AB 3 27A 0 5,-3.1 4,-1.8 -2,-0.6 5,-1.1 -0.779 15.1-167.7 -79.5 108.2 42.9 17.3 12.1 23 31 A L T 45S+ 0 0 71 -21,-3.0 -1,-0.1 -2,-0.9 -20,-0.1 0.626 79.7 58.5 -80.7 -14.1 43.5 13.6 11.4 24 32 A R T 45S+ 0 0 179 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.953 125.0 17.9 -71.4 -54.7 45.9 13.2 14.3 25 33 A D T 45S- 0 0 64 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.520 100.4-126.3 -96.9 -10.5 43.5 14.3 17.0 26 34 A H T <5 + 0 0 138 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.961 63.5 131.5 57.4 57.5 40.2 13.8 15.0 27 35 A R E < -B 22 0A 76 -5,-1.1 -5,-3.1 0, 0.0 2,-0.2 -0.969 60.2-113.7-132.9 149.0 39.0 17.3 15.6 28 36 A D E -B 21 0A 54 -2,-0.3 58,-0.7 -7,-0.2 2,-0.3 -0.602 38.7-179.0 -74.8 142.6 37.6 20.0 13.3 29 37 A V E -BC 20 85A 0 -9,-2.5 -9,-2.2 -2,-0.2 2,-0.5 -0.927 26.0-125.6-135.6 164.5 39.8 23.1 13.0 30 38 A A E -BC 19 84A 6 54,-3.2 54,-2.7 -2,-0.3 2,-0.6 -0.956 20.7-156.2-112.6 131.5 39.6 26.4 11.2 31 39 A V E -BC 18 83A 22 -13,-3.3 -13,-2.8 -2,-0.5 2,-0.5 -0.944 7.2-161.6-113.8 118.5 42.5 27.3 9.0 32 40 A K E +BC 17 82A 21 50,-3.2 50,-2.1 -2,-0.6 2,-0.3 -0.878 19.2 156.5-106.0 129.7 43.1 31.0 8.2 33 41 A V E -B 16 0A 19 -17,-2.6 -17,-3.0 -2,-0.5 48,-0.1 -0.885 49.3 -71.8-138.6 167.1 45.2 32.3 5.3 34 42 A L E -B 15 0A 14 46,-0.5 -19,-0.3 -2,-0.3 5,-0.1 -0.380 61.9 -95.6 -55.1 135.8 45.6 35.4 3.2 35 43 A R >> - 0 0 52 -21,-2.6 3,-1.8 1,-0.1 4,-1.1 -0.373 32.8-126.1 -52.2 131.5 42.7 35.9 0.8 36 44 A A T 34 S+ 0 0 79 1,-0.3 3,-0.2 2,-0.2 4,-0.2 0.805 110.5 51.8 -54.8 -34.8 43.9 34.4 -2.5 37 45 A D T 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.654 116.9 38.6 -78.1 -15.7 43.1 37.7 -4.3 38 46 A L T X4 S+ 0 0 30 -3,-1.8 3,-2.2 -24,-0.2 7,-0.3 0.428 84.3 104.3-108.8 -1.7 45.2 39.7 -1.8 39 47 A A T 3< S+ 0 0 34 -4,-1.1 -2,-0.1 1,-0.3 -1,-0.1 0.634 85.0 42.2 -60.2 -21.9 48.1 37.3 -1.3 40 48 A R T 3 S+ 0 0 222 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.219 84.6 109.7-113.2 11.7 50.5 39.3 -3.4 41 49 A D <> - 0 0 66 -3,-2.2 4,-3.0 1,-0.1 5,-0.2 -0.812 64.5-145.4 -83.7 118.0 49.6 42.7 -2.1 42 50 A P H > S+ 0 0 91 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.864 95.2 51.7 -51.8 -44.7 52.6 43.8 0.0 43 51 A S H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.924 115.8 39.8 -62.1 -46.8 50.5 45.7 2.6 44 52 A F H > S+ 0 0 30 2,-0.2 4,-2.7 -6,-0.2 5,-0.2 0.880 114.5 53.7 -70.4 -40.5 48.2 42.7 3.3 45 53 A Y H X S+ 0 0 73 -4,-3.0 4,-2.3 -7,-0.3 -2,-0.2 0.954 111.5 45.2 -57.9 -50.1 51.0 40.2 3.1 46 54 A L H X S+ 0 0 118 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.913 114.4 48.4 -62.4 -43.3 53.0 42.1 5.7 47 55 A R H X S+ 0 0 39 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.932 112.1 47.9 -62.6 -47.4 50.0 42.6 8.0 48 56 A F H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.930 110.7 51.8 -61.1 -44.8 48.9 38.9 7.9 49 57 A R H X S+ 0 0 124 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.907 112.3 45.4 -58.8 -43.9 52.4 37.7 8.6 50 58 A R H X S+ 0 0 109 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.889 113.3 49.0 -70.6 -38.1 52.8 39.9 11.6 51 59 A E H < S+ 0 0 31 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.821 112.9 47.7 -72.0 -29.6 49.3 39.0 13.0 52 60 A A H >< S+ 0 0 5 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.912 112.6 49.6 -71.9 -42.2 50.0 35.3 12.5 53 61 A Q H 3< S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.821 120.4 36.1 -64.1 -34.0 53.4 35.6 14.2 54 62 A N T 3< S+ 0 0 83 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.3 -0.071 83.4 151.9-109.8 30.9 51.8 37.5 17.1 55 63 A A < - 0 0 28 -3,-1.3 2,-0.4 1,-0.1 -3,-0.1 -0.473 50.1-118.1 -69.3 125.4 48.5 35.6 17.3 56 64 A A - 0 0 17 93,-0.3 2,-0.8 -2,-0.3 93,-0.2 -0.506 25.2-162.2 -66.9 117.9 47.1 35.5 20.8 57 65 A A + 0 0 72 -2,-0.4 2,-0.3 8,-0.1 8,-0.1 -0.856 23.2 163.7-105.9 97.8 46.9 31.9 22.1 58 66 A L - 0 0 15 -2,-0.8 2,-0.8 6,-0.3 8,-0.2 -0.902 34.4-143.0-122.0 144.9 44.5 32.0 25.1 59 67 A N + 0 0 147 -2,-0.3 5,-0.1 6,-0.1 -2,-0.0 -0.854 51.2 121.7-112.4 93.8 42.7 29.1 26.8 60 68 A H > - 0 0 36 -2,-0.8 3,-2.0 3,-0.5 -2,-0.1 -0.981 66.2-121.6-154.3 139.8 39.2 30.3 27.8 61 69 A P T 3 S+ 0 0 102 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.777 114.2 46.8 -58.8 -28.3 35.7 29.0 26.9 62 70 A A T 3 S+ 0 0 11 83,-0.1 84,-2.9 51,-0.1 2,-0.4 0.184 101.9 78.4 -99.5 15.8 34.7 32.4 25.4 63 71 A I B < S-e 146 0B 1 -3,-2.0 2,-0.5 82,-0.2 -3,-0.5 -0.991 84.2-119.0-124.7 133.1 37.9 32.8 23.3 64 72 A V - 0 0 9 82,-2.4 -6,-0.3 -2,-0.4 2,-0.2 -0.572 38.4-128.6 -67.0 114.4 38.7 31.1 20.0 65 73 A A - 0 0 18 -2,-0.5 20,-2.9 -8,-0.1 2,-0.6 -0.448 9.2-142.0 -70.1 134.7 41.8 29.0 20.8 66 74 A V E +D 84 0A 33 18,-0.2 18,-0.3 -8,-0.2 3,-0.1 -0.898 20.5 178.6 -95.5 120.9 44.8 29.4 18.4 67 75 A Y E - 0 0 84 16,-2.3 2,-0.3 -2,-0.6 17,-0.2 0.720 61.0 -6.5 -93.7 -29.5 46.4 25.9 18.0 68 76 A D E -D 83 0A 67 15,-1.9 15,-3.4 2,-0.0 -1,-0.3 -0.959 52.1-174.6-167.1 147.1 49.3 26.7 15.6 69 77 A T E +D 82 0A 49 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.969 31.1 101.8-141.3 157.2 50.8 29.4 13.4 70 78 A G E -D 81 0A 31 11,-1.7 11,-2.4 -2,-0.3 2,-0.5 -0.989 68.1 -66.2 166.0-160.9 53.6 29.4 10.9 71 79 A E E -D 80 0A 55 -2,-0.3 2,-0.3 9,-0.2 -2,-0.0 -0.951 44.4-145.1-125.7 108.6 54.6 29.4 7.3 72 80 A A E -D 79 0A 34 7,-3.0 7,-3.0 -2,-0.5 2,-0.4 -0.548 18.8-120.5 -75.7 131.4 53.7 26.1 5.5 73 81 A E + 0 0 102 -2,-0.3 -1,-0.1 5,-0.2 3,-0.1 -0.612 46.5 164.2 -68.9 125.0 56.1 25.0 2.8 74 82 A T > - 0 0 47 -2,-0.4 3,-0.6 3,-0.2 -3,-0.0 -0.912 52.2-108.4-135.4 163.2 54.1 24.8 -0.4 75 83 A P T 3 S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.932 122.5 52.1 -57.1 -44.3 55.0 24.6 -4.1 76 84 A A T 3 S- 0 0 84 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.681 127.5 -92.2 -66.1 -18.8 53.8 28.2 -4.6 77 85 A G < - 0 0 22 -3,-0.6 -1,-0.2 -5,-0.1 2,-0.2 -0.727 69.0 -19.9 134.7 179.7 56.1 29.2 -1.7 78 86 A P - 0 0 91 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.415 62.2-154.1 -58.7 125.2 56.0 29.6 2.1 79 87 A L E - D 0 72A 72 -7,-3.0 -7,-3.0 -2,-0.2 2,-0.1 -0.907 7.2-138.7-110.9 108.8 52.3 30.1 3.1 80 88 A P E + D 0 71A 11 0, 0.0 -46,-0.5 0, 0.0 2,-0.3 -0.450 36.2 169.4 -62.9 137.8 51.5 32.0 6.3 81 89 A Y E - D 0 70A 46 -11,-2.4 -11,-1.7 -48,-0.1 2,-0.4 -0.992 32.1-153.0-149.6 157.4 48.7 30.3 8.2 82 90 A I E -CD 32 69A 12 -50,-2.1 -50,-3.2 -2,-0.3 2,-0.5 -1.000 10.7-160.6-128.5 130.0 46.8 30.2 11.5 83 91 A V E +CD 31 68A 2 -15,-3.4 -16,-2.3 -2,-0.4 -15,-1.9 -0.966 27.2 160.2-108.9 126.8 45.1 27.0 12.8 84 92 A M E -CD 30 66A 23 -54,-2.7 -54,-3.2 -2,-0.5 -18,-0.2 -0.872 44.8 -64.5-140.6 167.2 42.4 27.6 15.4 85 93 A E E -C 29 0A 38 -20,-2.9 2,-0.4 -2,-0.3 -56,-0.2 -0.266 54.3-121.1 -48.6 131.8 39.4 26.2 17.1 86 94 A Y - 0 0 62 -58,-0.7 2,-0.6 -66,-0.1 -1,-0.1 -0.698 22.7-161.0 -83.2 130.0 36.5 25.7 14.8 87 95 A V - 0 0 17 -2,-0.4 2,-1.1 2,-0.1 51,-0.1 -0.959 8.0-153.8-111.1 113.7 33.3 27.6 15.6 88 96 A D + 0 0 98 -2,-0.6 52,-3.1 49,-0.0 53,-0.3 -0.777 66.5 61.1 -80.9 99.9 30.1 26.3 14.0 89 97 A G E S-F 139 0B 29 -2,-1.1 2,-0.3 50,-0.3 50,-0.2 -0.952 79.0 -80.8 173.7-157.9 28.2 29.5 14.0 90 98 A V E -F 138 0B 62 48,-2.0 48,-2.8 -2,-0.3 2,-0.2 -0.891 34.9-105.3-137.6 164.3 27.9 33.1 12.8 91 99 A T E > -F 137 0B 20 -2,-0.3 4,-2.1 46,-0.2 46,-0.3 -0.510 31.5-113.6 -87.0 160.4 29.4 36.5 13.7 92 100 A L H > S+ 0 0 0 44,-2.4 4,-2.5 41,-1.2 42,-0.2 0.823 120.4 59.1 -59.2 -31.0 27.4 39.3 15.5 93 101 A R H > S+ 0 0 117 40,-0.8 4,-2.4 43,-0.3 -1,-0.2 0.943 105.6 48.0 -63.2 -45.4 27.8 41.2 12.2 94 102 A D H > S+ 0 0 65 2,-0.2 4,-1.3 1,-0.2 5,-0.3 0.896 111.6 50.8 -55.7 -45.7 25.9 38.4 10.4 95 103 A I H X>S+ 0 0 6 -4,-2.1 4,-3.3 2,-0.2 5,-1.2 0.929 111.8 45.6 -63.2 -46.3 23.2 38.4 13.1 96 104 A V H <5S+ 0 0 18 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.896 117.0 45.0 -64.0 -41.5 22.6 42.1 12.9 97 105 A H H <5S+ 0 0 119 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.649 127.3 28.5 -77.2 -16.9 22.6 42.1 9.0 98 106 A T H <5S+ 0 0 113 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.2 0.776 135.2 20.4-112.3 -43.5 20.3 39.0 8.9 99 107 A E T <5S- 0 0 135 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.613 95.7-135.4-106.0 -18.3 18.1 38.9 12.0 100 108 A G < - 0 0 21 -5,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 -0.365 55.8 -7.4 87.9-173.5 18.2 42.5 13.2 101 109 A P S S- 0 0 46 0, 0.0 94,-0.2 0, 0.0 2,-0.2 -0.182 72.3-121.4 -54.9 146.0 18.7 43.7 16.7 102 110 A M - 0 0 13 92,-2.5 95,-0.0 1,-0.1 -2,-0.0 -0.495 34.6 -92.1 -79.6 157.6 18.7 41.2 19.6 103 111 A T > - 0 0 94 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.428 43.6-111.4 -62.4 146.0 16.2 41.3 22.4 104 112 A P H > S+ 0 0 42 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.874 114.8 50.8 -52.0 -44.9 17.8 43.3 25.3 105 113 A K H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.909 112.9 45.9 -64.4 -40.1 18.2 40.4 27.7 106 114 A R H > S+ 0 0 74 2,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.929 111.2 52.6 -64.7 -46.2 19.9 38.2 25.0 107 115 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.918 109.7 49.3 -54.3 -46.4 22.2 41.2 24.0 108 116 A I H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.912 110.6 50.4 -60.7 -44.9 23.2 41.6 27.7 109 117 A E H X S+ 0 0 94 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.931 112.9 46.1 -58.7 -45.8 23.9 37.9 28.0 110 118 A V H X S+ 0 0 10 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.956 116.3 43.3 -64.8 -49.2 26.1 37.9 24.9 111 119 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.832 110.0 57.6 -69.6 -32.0 28.1 41.0 25.8 112 120 A A H X S+ 0 0 7 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.916 107.9 47.4 -60.4 -43.1 28.4 39.8 29.4 113 121 A D H X S+ 0 0 69 -4,-2.0 4,-1.8 1,-0.2 3,-0.3 0.900 109.8 53.3 -63.8 -40.9 30.1 36.7 28.1 114 122 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.861 104.1 56.2 -61.0 -38.6 32.3 38.9 25.8 115 123 A C H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.842 105.4 52.1 -59.9 -36.9 33.4 40.9 28.9 116 124 A Q H X S+ 0 0 74 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.901 109.5 48.7 -67.5 -43.7 34.6 37.7 30.6 117 125 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.949 114.1 46.5 -57.0 -51.7 36.7 36.8 27.5 118 126 A L H X S+ 0 0 4 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.871 110.0 52.6 -62.2 -41.1 38.2 40.3 27.5 119 127 A N H X S+ 0 0 39 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.915 109.5 49.6 -60.8 -43.6 38.9 40.3 31.3 120 128 A F H X S+ 0 0 58 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.949 113.8 46.5 -57.0 -51.3 40.7 37.0 30.9 121 129 A S H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-0.4 0.928 112.8 48.5 -55.8 -50.3 42.7 38.5 28.1 122 130 A H H ><5S+ 0 0 35 -4,-3.3 3,-1.9 1,-0.2 -1,-0.2 0.896 107.7 56.1 -60.3 -41.1 43.4 41.7 30.0 123 131 A Q H 3<5S+ 0 0 147 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.815 106.9 50.3 -59.2 -34.0 44.5 39.6 33.1 124 132 A N T 3<5S- 0 0 96 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.130 126.3-102.0 -92.0 19.6 47.1 37.9 30.9 125 133 A G T < 5S+ 0 0 70 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.602 80.8 127.9 77.0 13.8 48.4 41.3 29.6 126 134 A I < - 0 0 51 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.909 41.6-161.6-112.8 123.9 46.7 41.3 26.2 127 135 A I - 0 0 34 -2,-0.5 53,-0.1 1,-0.1 23,-0.0 -0.819 13.4-146.6 -94.3 139.5 44.5 44.1 24.8 128 136 A H - 0 0 0 -2,-0.4 22,-2.4 21,-0.1 -1,-0.1 0.967 20.0-177.2 -71.1 -53.4 42.2 43.1 22.0 129 137 A R + 0 0 74 20,-0.1 40,-0.2 50,-0.1 -1,-0.1 0.089 69.0 61.7 79.9 -22.3 42.3 46.5 20.1 130 138 A D + 0 0 38 18,-0.1 2,-0.4 38,-0.1 5,-0.1 -0.225 62.1 160.6-131.1 46.0 39.8 45.4 17.4 131 139 A V + 0 0 4 36,-0.1 58,-0.1 3,-0.1 17,-0.0 -0.547 20.8 135.0 -68.9 124.1 36.6 44.7 19.2 132 140 A K > - 0 0 56 -2,-0.4 3,-1.7 1,-0.1 -40,-0.2 -0.959 69.0 -92.3-163.6 163.0 33.8 44.8 16.6 133 141 A P G > S+ 0 0 2 0, 0.0 3,-1.3 0, 0.0 -41,-1.2 0.857 121.4 57.1 -55.9 -36.6 30.7 42.7 15.7 134 142 A A G 3 S+ 0 0 29 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.0 0.668 101.7 57.8 -67.3 -16.8 32.6 40.7 13.1 135 143 A N G < S+ 0 0 8 -3,-1.7 12,-3.0 -5,-0.1 2,-0.4 0.251 95.6 71.3-100.4 12.2 35.1 39.5 15.7 136 144 A I E < - G 0 146B 3 -3,-1.3 -44,-2.4 10,-0.2 -43,-0.3 -0.997 66.0-167.1-126.6 124.1 32.6 37.9 18.1 137 145 A M E -FG 91 145B 27 8,-3.1 8,-2.7 -2,-0.4 2,-0.5 -0.801 14.6-150.6-108.4 154.0 30.8 34.7 17.1 138 146 A I E -FG 90 144B 9 -48,-2.8 -48,-2.0 -2,-0.3 6,-0.2 -0.997 24.8-137.7-118.4 122.7 27.8 32.9 18.4 139 147 A S E > -F 89 0B 17 4,-2.5 3,-2.4 -2,-0.5 -50,-0.3 -0.241 27.1-102.2 -75.5 165.1 28.0 29.1 18.0 140 148 A A T 3 S+ 0 0 69 -52,-3.1 -51,-0.1 1,-0.3 -1,-0.1 0.775 127.8 52.1 -55.2 -29.5 25.1 26.8 16.9 141 149 A T T 3 S- 0 0 119 -53,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.120 125.2-105.4 -94.3 19.2 24.9 25.9 20.6 142 150 A N < + 0 0 119 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.702 68.6 149.1 67.2 26.0 24.7 29.6 21.6 143 151 A A - 0 0 35 2,-0.0 -4,-2.5 -30,-0.0 2,-0.4 -0.742 45.4-128.1 -89.6 135.9 28.2 29.9 23.0 144 152 A V E - G 0 138B 7 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.687 26.4-173.7 -83.3 133.6 29.9 33.3 22.7 145 153 A K E - G 0 137B 32 -8,-2.7 -8,-3.1 -2,-0.4 2,-0.3 -0.945 9.5-158.3-135.2 109.4 33.4 33.2 21.1 146 154 A V E +eG 63 136B 3 -84,-2.9 -82,-2.4 -2,-0.4 2,-0.3 -0.705 26.7 168.7 -86.0 137.9 35.6 36.3 20.9 147 155 A M + 0 0 37 -12,-3.0 -82,-0.1 -2,-0.3 -2,-0.0 -0.858 35.1 47.1-142.4 175.6 38.3 36.1 18.2 148 156 A D - 0 0 51 -2,-0.3 -1,-0.2 -84,-0.2 -18,-0.1 0.915 63.3-157.8 58.5 51.5 41.0 37.7 16.1 149 157 A F - 0 0 19 -93,-0.2 -93,-0.3 -3,-0.1 -1,-0.2 -0.353 16.0-127.3 -57.6 135.3 42.8 39.6 18.9 150 158 A G - 0 0 16 -22,-2.4 2,-0.3 -95,-0.1 -94,-0.1 -0.060 17.6-127.7 -78.8-175.9 44.7 42.5 17.5 151 159 A I - 0 0 35 -22,-0.1 2,-0.2 -25,-0.1 -100,-0.1 -0.945 25.3 -93.0-136.5 154.7 48.4 43.4 18.0 152 160 A A - 0 0 52 -2,-0.3 2,-0.2 1,-0.0 -23,-0.0 -0.482 48.7-164.2 -63.3 134.8 50.5 46.4 19.1 153 161 A R - 0 0 75 -2,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.735 24.8 -84.4-119.2 167.7 51.5 48.4 16.0 154 162 A A - 0 0 100 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.372 44.3-114.9 -67.2 150.2 54.1 51.1 15.2 155 163 A I 0 0 160 1,-0.1 -1,-0.1 -2,-0.1 20,-0.0 -0.807 360.0 360.0 -95.2 126.3 53.1 54.7 15.9 156 164 A A 0 0 149 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.0 -0.110 360.0 360.0 -52.2 360.0 52.9 56.8 12.7 157 ! 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 0.0 158 173 A T > 0 0 137 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-178.6 45.7 50.5 5.1 159 174 A A T 3 - 0 0 11 1,-0.3 -146,-0.0 2,-0.1 -118,-0.0 0.823 360.0 -69.7 52.0 34.0 45.6 46.7 4.7 160 175 A A T 3 S+ 0 0 38 2,-0.2 -1,-0.3 1,-0.1 -147,-0.1 0.638 102.4 130.4 62.4 17.7 42.0 46.9 6.0 161 176 A V S < S+ 0 0 77 -3,-2.1 2,-0.5 1,-0.2 -2,-0.1 0.915 77.2 36.2 -65.6 -43.8 43.2 47.8 9.5 162 177 A I S S+ 0 0 80 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.2 -0.962 72.2 161.0-107.9 121.6 40.7 50.7 9.6 163 178 A G S S- 0 0 53 -2,-0.5 -1,-0.1 -3,-0.1 -2,-0.1 0.474 77.6 -22.1 -97.1-109.8 37.4 49.9 7.9 164 179 A T S S- 0 0 65 41,-0.1 45,-0.2 1,-0.1 46,-0.1 0.626 76.7-133.3 -73.6 -18.4 34.5 52.2 8.7 165 180 A A > + 0 0 7 44,-0.1 3,-0.9 1,-0.1 48,-0.1 0.553 66.0 133.5 68.3 11.3 36.1 53.2 12.0 166 181 A Q T 3 S+ 0 0 36 1,-0.2 35,-0.3 37,-0.1 -1,-0.1 0.728 74.5 36.0 -62.5 -21.5 32.7 52.5 13.6 167 182 A Y T 3 S+ 0 0 31 32,-0.1 -1,-0.2 33,-0.1 -36,-0.1 0.338 88.6 114.4-118.2 4.6 34.2 50.6 16.4 168 183 A L < - 0 0 32 -3,-0.9 -38,-0.1 1,-0.1 -6,-0.0 -0.437 64.0-122.0 -72.2 150.6 37.5 52.5 17.1 169 184 A S > - 0 0 0 -40,-0.2 4,-2.3 -2,-0.1 3,-0.3 -0.527 23.6-110.5 -87.3 158.8 37.9 54.3 20.4 170 185 A P H > S+ 0 0 7 0, 0.0 4,-1.8 0, 0.0 6,-0.2 0.909 120.2 53.9 -53.0 -41.7 38.6 58.1 20.6 171 186 A E H >>S+ 0 0 11 1,-0.2 5,-2.2 2,-0.2 4,-0.5 0.810 108.7 48.1 -61.9 -37.8 42.2 57.3 21.9 172 187 A Q H >45S+ 0 0 44 -3,-0.3 3,-0.6 3,-0.2 -1,-0.2 0.900 110.4 51.8 -69.0 -40.4 42.8 55.0 18.8 173 188 A A H 3<5S+ 0 0 41 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.845 116.4 40.1 -63.7 -33.8 41.5 57.7 16.5 174 189 A R H 3<5S- 0 0 134 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.448 111.4-115.7 -94.7 -5.0 43.8 60.4 18.0 175 190 A G T <<5 + 0 0 58 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.738 65.6 146.1 72.4 23.9 46.9 58.1 18.4 176 191 A D < - 0 0 82 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.1 -0.207 61.8 -64.8 -77.9 177.2 46.8 58.4 22.2 177 192 A S - 0 0 112 1,-0.0 2,-0.4 -2,-0.0 -1,-0.2 -0.445 53.6-146.5 -63.1 136.3 47.9 55.6 24.6 178 193 A V + 0 0 34 -2,-0.1 2,-0.2 -3,-0.1 -51,-0.1 -0.919 26.7 158.5-111.8 130.6 45.5 52.6 24.3 179 194 A D >> - 0 0 57 -2,-0.4 3,-3.0 -50,-0.0 4,-0.6 -0.756 60.9 -67.5-135.0-174.2 44.7 50.4 27.3 180 195 A A H 3> S+ 0 0 25 1,-0.3 4,-1.4 -2,-0.2 3,-0.3 0.717 124.1 69.7 -50.3 -25.8 41.9 47.9 28.4 181 196 A R H 3> S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.707 89.4 62.6 -69.0 -20.0 39.4 50.9 28.5 182 197 A S H <> S+ 0 0 0 -3,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.900 102.6 49.5 -65.7 -42.6 39.7 51.1 24.7 183 198 A D H X S+ 0 0 0 -4,-0.6 4,-2.6 -3,-0.3 -2,-0.2 0.838 107.5 55.3 -63.5 -36.9 38.2 47.5 24.5 184 199 A V H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.940 109.3 47.0 -58.9 -48.7 35.4 48.7 26.9 185 200 A Y H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.929 114.4 45.3 -58.8 -50.6 34.5 51.5 24.5 186 201 A S H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.890 111.3 52.3 -65.6 -38.3 34.5 49.3 21.4 187 202 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.880 106.4 56.3 -63.6 -36.3 32.5 46.6 23.2 188 203 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 51,-0.2 -2,-0.2 0.875 104.9 51.3 -56.4 -41.3 30.1 49.5 24.1 189 204 A C H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.889 110.6 48.4 -64.9 -41.6 29.8 50.2 20.3 190 205 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.929 111.3 49.5 -62.4 -47.8 29.0 46.5 19.7 191 206 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.919 109.8 52.3 -57.3 -43.9 26.4 46.5 22.5 192 207 A Y H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 6,-0.4 0.928 112.1 46.4 -57.7 -44.2 24.9 49.7 21.0 193 208 A E H X S+ 0 0 8 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.876 110.1 50.1 -73.0 -39.8 24.6 48.0 17.6 194 209 A V H < S+ 0 0 2 -4,-2.7 -92,-2.5 1,-0.2 -1,-0.2 0.812 115.6 45.4 -68.9 -28.3 23.1 44.7 18.8 195 210 A L H < S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.832 129.7 20.7 -75.5 -37.8 20.5 46.6 20.8 196 211 A T H < S- 0 0 7 -4,-1.9 -3,-0.2 2,-0.3 -2,-0.2 0.591 95.9-118.3-112.7 -18.1 19.5 49.1 18.1 197 212 A G S < S+ 0 0 18 -4,-2.6 -4,-0.2 -5,-0.3 -3,-0.1 0.399 88.9 79.8 88.1 -1.9 20.6 47.7 14.7 198 213 A E S S- 0 0 92 -6,-0.4 -2,-0.3 -5,-0.1 -1,-0.2 -0.990 80.5-118.4-137.0 144.0 23.0 50.7 14.2 199 214 A P - 0 0 6 0, 0.0 -9,-0.1 0, 0.0 -32,-0.1 -0.379 39.6-107.7 -73.1 164.8 26.4 51.6 15.4 200 215 A P S S+ 0 0 8 0, 0.0 2,-0.4 0, 0.0 19,-0.4 0.846 101.9 32.5 -63.7 -31.6 26.5 54.8 17.5 201 216 A F + 0 0 5 -35,-0.3 2,-0.3 17,-0.1 8,-0.1 -0.989 64.1 170.6-132.5 133.1 28.2 56.8 14.7 202 217 A T + 0 0 69 -2,-0.4 2,-0.3 6,-0.1 -37,-0.0 -0.923 9.3 152.5-132.5 159.5 28.0 56.5 10.9 203 218 A G - 0 0 41 -2,-0.3 -37,-0.1 -39,-0.1 6,-0.1 -0.980 55.3 -90.9-173.9 174.5 29.3 58.7 8.1 204 219 A D S S+ 0 0 112 -2,-0.3 3,-0.0 1,-0.1 -1,-0.0 0.623 106.2 17.8 -77.0 -15.6 30.5 58.9 4.5 205 220 A S S > S- 0 0 48 -41,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.978 78.1-109.7-148.7 160.7 34.2 58.3 5.5 206 221 A P H > S+ 0 0 59 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.839 118.3 59.4 -57.2 -35.6 36.3 57.0 8.4 207 222 A V H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.911 106.3 47.1 -58.9 -44.8 37.5 60.6 9.0 208 223 A S H > S+ 0 0 44 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.896 115.0 45.9 -63.2 -42.3 33.8 61.6 9.6 209 224 A V H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.929 110.5 52.1 -69.6 -45.2 33.2 58.7 11.9 210 225 A A H X S+ 0 0 23 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.906 107.5 54.5 -54.7 -43.6 36.5 59.2 13.9 211 226 A Y H X S+ 0 0 132 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.912 108.0 48.7 -54.8 -46.4 35.4 62.9 14.3 212 227 A Q H X S+ 0 0 32 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.899 108.3 53.5 -65.3 -41.5 32.1 61.7 15.9 213 228 A H H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 117.8 37.8 -56.5 -42.4 33.9 59.3 18.2 214 229 A V H < S+ 0 0 26 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.879 133.9 16.5 -78.7 -37.1 36.1 62.1 19.5 215 230 A R H < S+ 0 0 153 -4,-2.8 2,-0.4 -5,-0.2 -3,-0.2 0.673 103.8 73.6-116.3 -23.1 33.6 65.1 19.5 216 231 A E < - 0 0 88 -4,-2.1 -1,-0.1 -5,-0.3 0, 0.0 -0.857 69.0-124.3-115.3 134.1 29.9 64.1 19.4 217 232 A D - 0 0 140 -2,-0.4 2,-0.2 1,-0.1 24,-0.1 -0.454 32.4-115.9 -70.9 137.7 27.7 62.5 22.0 218 233 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 -0.502 28.3-110.3 -72.5 144.9 26.0 59.3 21.1 219 234 A I - 0 0 91 -19,-0.4 5,-0.1 -2,-0.2 0, 0.0 -0.588 45.1-100.5 -68.7 130.2 22.2 59.3 20.9 220 235 A P > - 0 0 44 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.324 29.5-122.9 -54.8 136.4 20.9 57.2 23.8 221 236 A P G >> S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-1.3 0.844 109.6 59.9 -49.8 -41.0 20.0 53.7 22.4 222 237 A S G 34 S+ 0 0 51 1,-0.3 6,-0.2 2,-0.2 5,-0.1 0.711 98.8 58.1 -66.0 -21.4 16.4 54.0 23.7 223 238 A A G <4 S+ 0 0 73 -3,-1.8 -1,-0.3 1,-0.1 3,-0.1 0.578 111.8 43.0 -78.1 -11.8 15.9 57.1 21.5 224 239 A R T <4 S+ 0 0 89 -3,-2.1 2,-0.3 -4,-0.4 -2,-0.2 0.625 120.9 24.2-107.2 -20.3 16.8 54.9 18.5 225 240 A H S >< S- 0 0 78 -4,-1.3 3,-0.5 -28,-0.0 -1,-0.3 -0.993 75.7-116.2-151.5 141.5 14.9 51.6 19.1 226 241 A E T 3 S+ 0 0 176 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.202 88.0 43.2 -68.9 162.4 11.8 50.6 21.0 227 242 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -5,-0.1 2,-0.2 0.563 83.7 116.8 82.6 11.8 11.8 48.2 24.0 228 243 A L < - 0 0 32 -3,-0.5 2,-0.3 -6,-0.2 -1,-0.3 -0.538 51.2-134.3-108.7 173.3 14.9 49.5 25.8 229 244 A S > - 0 0 54 -2,-0.2 4,-2.1 -3,-0.1 -7,-0.2 -0.882 21.9-117.9-130.4 159.0 15.3 51.1 29.3 230 245 A A H > S+ 0 0 51 -2,-0.3 4,-2.1 2,-0.2 42,-0.3 0.799 115.1 57.3 -64.2 -31.3 17.0 54.1 30.9 231 246 A D H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.898 107.9 46.2 -68.9 -39.5 19.1 51.7 33.0 232 247 A L H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.894 109.9 55.8 -67.3 -37.2 20.4 50.0 29.9 233 248 A D H X S+ 0 0 9 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.914 104.7 52.9 -55.7 -46.2 21.1 53.5 28.4 234 249 A A H X S+ 0 0 4 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.880 110.3 47.0 -59.6 -40.8 23.2 54.4 31.5 235 250 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.936 114.9 45.1 -68.0 -46.5 25.4 51.3 31.0 236 251 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.923 113.8 48.5 -65.4 -45.4 25.9 51.8 27.3 237 252 A L H < S+ 0 0 36 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.809 109.6 53.5 -67.9 -29.3 26.6 55.6 27.6 238 253 A K H >< S+ 0 0 34 -4,-1.5 3,-1.4 -5,-0.3 -1,-0.2 0.922 108.4 48.8 -68.1 -44.8 29.1 55.0 30.4 239 254 A A H 3< S+ 0 0 0 -4,-2.0 -51,-0.2 1,-0.3 -2,-0.2 0.859 114.1 49.1 -59.7 -33.7 31.0 52.4 28.2 240 255 A L T 3< S+ 0 0 2 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.189 76.5 138.5 -94.0 13.5 30.9 55.1 25.4 241 256 A A < - 0 0 18 -3,-1.4 6,-0.1 1,-0.1 -3,-0.1 -0.378 54.1-136.3 -57.1 137.0 32.2 58.0 27.5 242 257 A K S S+ 0 0 35 4,-0.1 -71,-0.2 -72,-0.1 -1,-0.1 0.898 91.5 60.5 -65.5 -43.9 34.7 60.0 25.4 243 258 A N S > S- 0 0 91 1,-0.1 3,-2.4 -73,-0.1 4,-0.4 -0.766 81.3-142.0 -84.5 124.2 37.2 60.4 28.2 244 259 A P G > S+ 0 0 19 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.808 99.7 71.3 -57.1 -26.9 38.4 57.0 29.4 245 260 A E G 3 S+ 0 0 129 1,-0.2 4,-0.1 -3,-0.0 -3,-0.0 0.642 100.2 45.8 -57.2 -20.3 38.3 58.5 32.9 246 261 A N G < S+ 0 0 99 -3,-2.4 -1,-0.2 2,-0.1 -5,-0.1 0.451 101.9 85.3-102.9 -2.5 34.5 58.5 32.7 247 262 A R S < S- 0 0 2 -3,-1.5 2,-0.4 -4,-0.4 -8,-0.2 -0.217 99.1 -73.6 -90.0 174.6 34.3 54.9 31.3 248 263 A Y - 0 0 4 -10,-0.2 -1,-0.2 1,-0.1 -64,-0.1 -0.626 43.2-145.4 -62.9 129.2 34.2 51.5 33.1 249 264 A Q S S+ 0 0 72 -2,-0.4 2,-0.3 -4,-0.1 -1,-0.1 0.709 76.9 21.7 -78.8 -19.5 37.8 51.1 34.2 250 265 A T S > S- 0 0 60 -69,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.950 74.7-118.7-141.3 163.4 37.7 47.4 33.6 251 266 A A H > S+ 0 0 1 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.804 116.4 56.7 -68.6 -32.7 35.7 44.7 31.6 252 267 A A H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.867 105.3 51.6 -65.2 -37.4 34.7 43.1 35.0 253 268 A E H > S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.909 111.5 46.6 -64.9 -44.4 33.3 46.5 36.0 254 269 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.936 112.2 50.5 -63.0 -45.8 31.3 46.7 32.8 255 270 A R H X S+ 0 0 77 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.901 105.5 57.1 -59.0 -41.1 30.1 43.0 33.2 256 271 A A H X S+ 0 0 35 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.891 108.5 45.9 -58.4 -42.0 29.0 43.7 36.8 257 272 A D H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.859 110.7 52.6 -70.6 -37.4 26.7 46.5 35.6 258 273 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.922 108.9 50.6 -60.5 -45.0 25.3 44.4 32.8 259 274 A V H X S+ 0 0 44 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.885 108.3 53.0 -60.8 -40.7 24.5 41.6 35.3 260 275 A R H <>S+ 0 0 91 -4,-1.8 5,-3.0 2,-0.2 -1,-0.2 0.934 110.4 46.3 -58.7 -48.4 22.7 44.2 37.5 261 276 A V H ><5S+ 0 0 24 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.876 109.1 55.1 -64.5 -38.3 20.5 45.3 34.6 262 277 A H H 3<5S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.871 111.1 46.3 -59.4 -36.4 19.8 41.6 33.7 263 278 A N T 3<5S- 0 0 99 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.351 119.0-110.3 -88.9 5.3 18.6 41.1 37.3 264 279 A G T < 5S+ 0 0 70 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.814 74.8 134.1 67.8 31.2 16.5 44.3 37.3 265 280 A E < - 0 0 92 -5,-3.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.840 65.5 -97.1-107.8 148.3 18.8 46.1 39.8 266 281 A P - 0 0 102 0, 0.0 2,-0.1 0, 0.0 -5,-0.0 -0.406 40.9-126.2 -64.0 136.3 20.0 49.7 39.3 267 282 A P - 0 0 20 0, 0.0 -10,-0.1 0, 0.0 4,-0.1 -0.436 10.1-125.9 -76.2 161.1 23.4 49.9 37.7 268 283 A E S S+ 0 0 78 -2,-0.1 3,-0.1 2,-0.1 -11,-0.0 0.602 79.3 109.8 -78.8 -14.0 26.2 51.9 39.3 269 284 A A S S- 0 0 7 1,-0.1 -34,-0.1 -38,-0.1 -35,-0.1 -0.292 89.1 -85.0 -57.2 146.2 26.6 53.8 36.0 270 285 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 -0.316 52.0-104.1 -57.9 135.9 25.5 57.5 36.3 271 286 A K - 0 0 179 -3,-0.1 2,-0.4 -4,-0.1 -40,-0.1 -0.293 32.6-153.5 -61.2 141.1 21.7 57.9 35.8 272 287 A V 0 0 44 -42,-0.3 -38,-0.1 -3,-0.1 -39,-0.1 -0.974 360.0 360.0-119.0 133.1 20.7 59.3 32.4 273 288 A L 0 0 207 -2,-0.4 -2,-0.0 -39,-0.0 0, 0.0 -0.910 360.0 360.0-107.8 360.0 17.4 61.2 32.0