==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-OCT-04 1WAK . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE SPRK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.C.NGO,J.GULLINGSRUD,S.CHAKRABARTI,B.NOLEN,B.E.AUBOL, . 353 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 2 1 2 0 0 0 2 0 1 0 0 1 0 0 1 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 . 3 2 1 1 0 0 1 2 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 1 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 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 63 A C 0 0 49 0, 0.0 5,-0.4 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0-155.3 27.3 16.9 43.7 2 64 A K 0 0 84 92,-0.1 92,-0.4 91,-0.1 91,-0.2 0.383 360.0 360.0 -78.7 360.0 25.5 19.5 45.9 3 ! 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 4 67 A Y 0 0 236 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 165.0 32.2 16.3 51.3 5 68 A H - 0 0 146 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.797 360.0-175.3-130.8 90.6 32.1 13.9 48.4 6 69 A L S S+ 0 0 33 -2,-0.4 2,-0.4 -5,-0.4 -1,-0.2 0.914 83.7 24.4 -46.7 -51.3 28.7 12.6 47.6 7 70 A V S S+ 0 0 9 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.971 76.0 176.7-121.8 133.6 30.2 10.3 44.9 8 71 A K > - 0 0 109 -2,-0.4 3,-2.1 -3,-0.1 11,-0.2 -0.956 41.8 -90.7-133.9 152.3 33.8 9.1 45.0 9 72 A I T 3 S+ 0 0 99 -2,-0.3 11,-0.2 1,-0.3 3,-0.1 -0.376 116.8 29.8 -58.4 138.7 35.8 6.7 42.8 10 73 A G T 3 S+ 0 0 42 9,-2.5 -1,-0.3 1,-0.3 10,-0.1 0.168 90.5 132.0 94.7 -19.8 35.5 3.2 44.3 11 74 A D < - 0 0 37 -3,-2.1 8,-2.7 7,-0.1 2,-0.4 -0.194 49.3-139.2 -63.2 160.1 32.0 3.8 45.8 12 75 A L E -A 18 0A 97 6,-0.2 2,-0.4 -3,-0.1 6,-0.2 -0.991 20.4-168.9-123.7 125.5 29.1 1.4 45.3 13 76 A F E >> +A 17 0A 29 4,-2.5 4,-2.7 -2,-0.4 3,-2.3 -0.916 62.7 1.1-123.1 147.6 25.6 2.7 44.5 14 77 A N T 34 S- 0 0 80 -2,-0.4 -1,-0.2 1,-0.3 73,-0.0 0.758 118.7 -75.3 53.8 29.6 22.2 1.1 44.4 15 78 A G T 34 S+ 0 0 57 -3,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.707 130.2 51.6 60.6 21.3 23.9 -2.1 45.4 16 79 A R T <4 S+ 0 0 51 -3,-2.3 21,-3.1 1,-0.2 2,-0.6 0.523 77.2 87.6-159.4 -13.2 25.3 -2.7 42.0 17 80 A Y E < -AB 13 36A 1 -4,-2.7 -4,-2.5 19,-0.2 2,-0.6 -0.884 51.0-162.3-106.0 115.2 27.2 0.2 40.4 18 81 A H E -AB 12 35A 77 17,-2.6 17,-2.6 -2,-0.6 2,-0.3 -0.837 24.4-126.5 -95.2 115.0 30.9 0.4 41.2 19 82 A V E + B 0 34A 2 -8,-2.7 -9,-2.5 -2,-0.6 15,-0.3 -0.456 34.6 169.7 -68.7 123.1 32.2 3.9 40.4 20 83 A I E - 0 0 22 13,-3.1 2,-0.3 1,-0.3 14,-0.2 0.854 56.9 -27.9-100.1 -48.4 35.2 3.9 38.1 21 84 A R E - B 0 33A 75 12,-1.6 12,-3.4 -13,-0.1 2,-0.4 -0.986 61.7 -93.4-166.1 160.5 35.9 7.5 37.0 22 85 A K E - B 0 32A 86 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.659 33.1-179.6 -80.8 135.4 34.2 10.9 36.4 23 86 A L E - 0 0 57 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.765 61.8 -14.2-103.5 -37.3 33.2 11.3 32.8 24 87 A G E - B 0 31A 25 7,-1.7 7,-3.2 2,-0.0 -1,-0.4 -0.986 51.0-161.3-163.1 157.9 31.6 14.8 32.8 25 88 A W E + B 0 30A 180 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.925 16.1 164.5-152.5 123.4 30.4 17.5 35.0 26 89 A G - 0 0 42 3,-2.7 3,-0.0 -2,-0.3 -2,-0.0 -0.481 55.2 -79.5-120.4-167.1 28.1 20.4 34.3 27 90 A H S S+ 0 0 153 1,-0.2 3,-0.1 -2,-0.2 22,-0.0 0.833 125.8 36.1 -65.8 -35.1 26.0 22.8 36.3 28 91 A F S S- 0 0 125 1,-0.2 21,-2.5 20,-0.1 2,-0.3 0.586 123.4 -6.9 -99.2 -13.1 23.2 20.4 36.9 29 92 A S E - C 0 48A 16 19,-0.3 -3,-2.7 -28,-0.0 2,-0.4 -0.987 52.7-122.1-170.0 172.8 24.8 17.0 37.3 30 93 A T E -BC 25 47A 8 17,-2.0 17,-3.2 -2,-0.3 2,-0.5 -0.975 21.7-148.5-128.9 140.7 27.9 14.8 37.2 31 94 A V E -BC 24 46A 37 -7,-3.2 -8,-3.2 -2,-0.4 -7,-1.7 -0.954 14.3-166.4-116.4 130.6 28.2 11.7 35.1 32 95 A W E -BC 22 45A 19 13,-2.8 13,-3.6 -2,-0.5 2,-0.5 -0.917 22.7-129.7-119.5 142.1 30.3 8.8 36.2 33 96 A L E +BC 21 44A 0 -12,-3.4 -13,-3.1 -2,-0.4 -12,-1.6 -0.768 42.3 173.5 -83.4 126.5 31.6 5.7 34.4 34 97 A S E -BC 19 43A 0 9,-2.6 9,-2.7 -2,-0.5 2,-0.5 -0.944 33.8-122.3-135.7 155.8 30.6 2.8 36.6 35 98 A W E -BC 18 42A 76 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.8 -0.876 23.3-138.9 -99.6 128.0 30.7 -1.0 36.3 36 99 A D E >> -BC 17 41A 2 5,-3.5 4,-1.7 -2,-0.5 5,-1.0 -0.795 12.3-164.3 -89.4 109.9 27.4 -2.7 36.6 37 100 A I T 45S+ 0 0 84 -21,-3.1 -1,-0.2 -2,-0.8 -20,-0.1 0.882 86.6 42.6 -61.7 -41.1 27.9 -5.8 38.8 38 101 A Q T 45S+ 0 0 130 -22,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.937 122.9 35.4 -72.9 -49.5 24.6 -7.4 37.8 39 102 A G T 45S- 0 0 35 2,-0.1 -2,-0.2 -23,-0.1 -1,-0.2 0.645 99.2-136.1 -80.6 -13.3 24.7 -6.7 34.1 40 103 A K T <5 + 0 0 152 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.964 65.9 104.2 55.7 56.8 28.4 -7.1 33.9 41 104 A K E > - 0 0 20 1,-0.1 4,-1.9 3,-0.1 3,-0.8 -0.147 64.4-126.2 -46.2 130.3 18.5 21.7 43.9 52 115 A E H 3> S+ 0 0 135 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.844 108.6 49.4 -46.2 -45.7 14.8 21.1 44.4 53 116 A H H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.829 107.1 55.7 -67.4 -33.0 13.9 22.1 40.8 54 117 A Y H <> S+ 0 0 49 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.921 108.6 48.6 -64.5 -42.6 16.5 19.8 39.4 55 118 A T H X S+ 0 0 22 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.898 111.1 48.4 -64.4 -43.1 14.9 16.9 41.4 56 119 A E H X S+ 0 0 123 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.898 114.6 45.1 -65.8 -41.9 11.4 17.6 40.2 57 120 A T H X S+ 0 0 44 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.865 109.9 55.1 -71.1 -35.6 12.4 17.9 36.6 58 121 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.888 106.4 52.4 -63.4 -38.4 14.6 14.7 36.8 59 122 A L H X S+ 0 0 62 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.894 110.2 47.4 -65.0 -38.1 11.5 12.9 38.0 60 123 A D H X S+ 0 0 46 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.882 110.9 52.6 -67.3 -38.8 9.6 14.1 35.0 61 124 A E H X S+ 0 0 20 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.886 106.3 52.6 -64.1 -40.7 12.4 13.1 32.8 62 125 A I H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.912 108.0 51.5 -63.4 -39.3 12.5 9.6 34.2 63 126 A R H X S+ 0 0 134 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.911 112.5 46.0 -63.1 -41.6 8.7 9.3 33.5 64 127 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.927 112.7 50.3 -65.9 -43.0 9.3 10.4 29.9 65 128 A L H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 19,-0.4 0.824 106.3 55.3 -66.6 -32.0 12.3 8.0 29.6 66 129 A K H X S+ 0 0 99 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.898 107.2 50.1 -67.7 -36.7 10.2 5.1 30.9 67 130 A S H X S+ 0 0 24 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.894 109.5 51.9 -65.3 -38.7 7.7 5.8 28.2 68 131 A V H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.930 113.2 44.9 -62.2 -40.3 10.6 5.8 25.7 69 132 A R H < S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.901 125.2 30.0 -70.7 -39.0 11.7 2.4 27.1 70 133 A N H < S+ 0 0 114 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.580 90.4 88.2-102.0 -11.9 8.2 0.8 27.2 71 134 A S S < S- 0 0 49 -4,-2.5 -1,-0.1 1,-0.2 -3,-0.1 0.902 116.6 -11.8 -58.2 -45.8 6.0 2.3 24.4 72 135 A D > - 0 0 38 -4,-0.4 3,-2.1 -5,-0.2 -1,-0.2 -0.527 61.6-178.8-156.5 84.6 7.1 -0.3 21.8 73 136 A P T 3 S+ 0 0 70 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.660 85.4 57.1 -60.6 -13.1 10.1 -2.4 22.8 74 137 A N T 3 S+ 0 0 148 4,-0.0 3,-0.0 3,-0.0 -2,-0.0 0.504 79.9 102.7 -95.4 -5.3 10.0 -4.1 19.4 75 138 A D X - 0 0 19 -3,-2.1 3,-2.0 1,-0.2 4,-0.3 -0.680 63.0-151.5 -81.0 116.0 10.3 -0.9 17.3 76 139 A P G > S+ 0 0 95 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.779 92.6 69.1 -59.2 -23.4 13.8 -0.6 16.0 77 140 A N G > S+ 0 0 24 1,-0.3 3,-1.7 2,-0.2 62,-0.2 0.681 80.6 76.5 -69.5 -16.1 13.5 3.2 15.9 78 141 A R G X S+ 0 0 32 -3,-2.0 3,-1.3 1,-0.3 -1,-0.3 0.816 82.8 67.5 -63.5 -26.1 13.5 3.1 19.7 79 142 A E G < S+ 0 0 74 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.534 85.2 69.9 -74.2 -4.9 17.2 2.5 19.6 80 143 A M G < S+ 0 0 35 -3,-1.7 115,-2.6 114,-0.1 2,-0.4 0.182 92.6 67.1 -95.1 14.5 17.7 6.0 18.2 81 144 A V B < S-f 195 0B 0 -3,-1.3 115,-0.2 113,-0.3 52,-0.0 -0.983 99.6 -97.6-128.9 143.7 16.8 7.6 21.6 82 145 A V - 0 0 10 113,-2.6 2,-0.5 -2,-0.4 -2,-0.1 -0.354 40.6-136.0 -60.3 142.9 18.9 7.2 24.7 83 146 A Q - 0 0 18 -4,-0.1 2,-0.5 -15,-0.0 20,-0.5 -0.907 2.7-135.8-109.4 124.9 17.6 4.4 26.9 84 147 A L E -E 102 0A 11 -2,-0.5 18,-0.2 -19,-0.4 3,-0.1 -0.666 20.6-176.1 -76.5 120.6 17.2 4.7 30.7 85 148 A L E - 0 0 49 16,-3.2 2,-0.3 -2,-0.5 17,-0.2 0.770 62.8 -22.3 -88.4 -29.2 18.6 1.5 32.2 86 149 A D E -E 101 0A 36 15,-1.1 15,-2.7 2,-0.0 -1,-0.3 -0.966 55.7-155.9-170.9 164.3 17.8 2.2 35.9 87 150 A D E +E 100 0A 49 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.978 20.3 150.2-154.0 148.2 17.1 5.0 38.3 88 151 A F E -E 99 0A 15 11,-2.2 11,-3.1 -2,-0.3 2,-0.3 -0.905 34.9-106.6-160.7-175.3 17.5 5.5 42.0 89 152 A K E -E 98 0A 136 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.943 17.9-164.2-127.7 151.9 18.1 8.1 44.7 90 153 A I E -E 97 0A 15 7,-2.3 7,-3.0 -2,-0.3 2,-0.4 -0.994 15.1-139.9-132.4 140.8 21.1 8.9 46.9 91 154 A S E +E 96 0A 94 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.850 25.4 169.1-104.6 137.5 21.0 11.0 50.0 92 155 A G E > -E 95 0A 24 3,-3.4 3,-1.2 -2,-0.4 -90,-0.1 -0.594 54.4 -79.6-126.7-169.2 23.8 13.4 50.8 93 156 A V T 3 S+ 0 0 103 1,-0.3 3,-0.1 -2,-0.2 -91,-0.1 0.920 130.9 46.2 -63.1 -41.9 24.2 16.2 53.4 94 157 A N T 3 S- 0 0 119 -92,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.335 123.7 -94.7 -84.2 8.3 22.2 18.6 51.2 95 158 A G E < - E 0 92A 26 -3,-1.2 -3,-3.4 -93,-0.1 2,-0.2 -0.792 65.4 -14.1 121.2-163.0 19.5 16.1 50.5 96 159 A T E - E 0 91A 58 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.579 48.6-157.9 -87.2 146.0 18.4 13.6 47.9 97 160 A H E - E 0 90A 0 -7,-3.0 -7,-2.3 -2,-0.2 2,-0.4 -0.982 15.5-131.5-123.7 134.0 19.9 13.3 44.5 98 161 A I E - E 0 89A 4 -2,-0.4 -50,-3.0 -49,-0.3 2,-0.4 -0.691 24.2-160.8 -84.6 132.5 18.2 11.6 41.6 99 162 A C E -DE 47 88A 0 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.4 -0.967 7.7-171.1-119.8 134.4 20.4 9.2 39.7 100 163 A M E -DE 46 87A 0 -54,-2.4 -54,-3.3 -2,-0.4 2,-0.4 -0.969 10.2-149.6-123.3 137.4 19.8 7.9 36.2 101 164 A V E +DE 45 86A 0 -15,-2.7 -16,-3.2 -2,-0.4 -15,-1.1 -0.923 23.3 162.4-113.2 133.9 21.8 5.1 34.6 102 165 A F E -DE 44 84A 28 -58,-2.4 -58,-3.2 -2,-0.4 -18,-0.1 -0.851 45.1 -84.6-137.1 165.6 22.4 4.9 30.8 103 166 A E - 0 0 114 -20,-0.5 2,-0.4 -2,-0.3 -60,-0.2 -0.364 61.8 -90.9 -63.1 159.5 24.7 3.2 28.4 104 167 A V - 0 0 3 -62,-0.4 56,-0.5 -61,-0.1 2,-0.3 -0.656 54.4-166.8 -74.2 129.8 28.0 5.0 27.9 105 168 A L - 0 0 40 -2,-0.4 54,-0.2 54,-0.1 3,-0.1 -0.760 11.8-124.1-117.3 167.6 27.6 7.4 25.1 106 169 A G - 0 0 15 52,-1.6 -1,-0.1 -2,-0.3 54,-0.1 0.032 46.8 -53.2 -90.8-160.0 30.0 9.5 23.0 107 170 A H - 0 0 66 52,-0.1 51,-2.8 50,-0.1 -1,-0.2 -0.352 54.1-109.6 -78.9 159.1 30.3 13.2 22.2 108 171 A H B > -G 157 0B 53 49,-0.2 4,-0.8 -3,-0.1 3,-0.3 -0.350 29.5-108.3 -82.0 166.5 27.5 15.4 20.9 109 172 A L H > S+ 0 0 0 47,-1.6 4,-1.8 44,-1.5 45,-0.2 0.718 110.8 68.6 -71.1 -21.5 27.5 16.8 17.4 110 173 A L H > S+ 0 0 45 43,-0.5 4,-2.6 1,-0.2 5,-0.2 0.940 95.4 57.5 -63.6 -42.7 28.2 20.4 18.4 111 174 A K H > S+ 0 0 55 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.905 109.2 46.1 -51.0 -43.6 31.7 19.3 19.4 112 175 A W H X S+ 0 0 25 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.822 106.5 55.8 -72.6 -30.8 32.2 18.0 15.9 113 176 A I H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 6,-0.4 0.929 111.5 46.4 -65.5 -40.3 30.8 21.1 14.2 114 177 A I H ><5S+ 0 0 79 -4,-2.6 3,-2.4 1,-0.2 -2,-0.2 0.942 109.1 53.8 -64.7 -45.8 33.4 23.0 16.2 115 178 A K H 3<5S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.777 103.0 57.4 -59.2 -28.1 36.1 20.5 15.2 116 179 A S T ><5S- 0 0 17 -4,-1.6 3,-0.6 -3,-0.1 -1,-0.3 0.354 120.2-114.0 -83.5 6.7 35.2 21.0 11.6 117 180 A N T < 5 - 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0 0 62 -2,-0.7 -35,-0.1 -3,-0.1 -36,-0.0 -0.785 23.7-154.1-110.0 153.1 13.5 42.6 4.2 304 604 A K - 0 0 170 -2,-0.3 -33,-0.0 2,-0.0 -2,-0.0 -0.794 20.8-156.2-126.9 83.5 16.0 40.9 1.9 305 605 A P + 0 0 102 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 -0.236 15.6 178.4 -59.7 149.4 14.4 37.6 0.8 306 606 A W - 0 0 68 -35,-2.0 2,-0.4 4,-0.0 3,-0.1 -0.952 24.6-118.0-147.2 161.7 16.7 34.9 -0.3 307 607 A G > - 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 -0.908 10.6-137.1-112.0 139.1 16.2 31.3 -1.5 308 608 A L H > S+ 0 0 7 -2,-0.4 4,-2.3 -36,-0.3 5,-0.2 0.944 107.3 46.8 -52.1 -53.0 17.5 28.2 0.2 309 609 A F H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.950 113.3 47.7 -55.3 -53.0 18.6 26.7 -3.2 310 610 A E H > S+ 0 0 110 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.907 112.3 48.2 -57.7 -44.7 20.3 29.9 -4.4 311 611 A V H X>S+ 0 0 16 -4,-2.6 5,-1.9 2,-0.2 4,-1.8 0.879 107.6 54.3 -65.6 -39.8 22.2 30.5 -1.2 312 612 A L H <5S+ 0 0 0 -4,-2.3 6,-2.4 -5,-0.3 -1,-0.2 0.946 117.8 39.1 -59.9 -41.3 23.5 26.9 -1.0 313 613 A V H <5S+ 0 0 43 -4,-2.1 4,-0.3 4,-0.3 -2,-0.2 0.949 128.5 29.1 -73.8 -47.9 24.8 27.4 -4.5 314 614 A E H <5S+ 0 0 124 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.921 130.2 32.2 -82.2 -44.4 26.1 31.0 -4.3 315 615 A K T <5S+ 0 0 137 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.1 0.926 134.3 26.7 -79.8 -46.7 27.1 31.4 -0.6 316 616 A Y S - 0 0 44 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.333 32.3-114.2 -66.6 157.3 26.7 22.1 -6.9 320 620 A Q H > S+ 0 0 123 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.857 118.5 55.8 -62.4 -32.6 23.2 22.8 -8.2 321 621 A E H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 110.9 41.0 -64.5 -48.0 22.5 19.1 -7.9 322 622 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.909 116.8 49.8 -66.2 -43.7 23.4 18.9 -4.2 323 623 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.902 111.1 48.7 -63.2 -42.3 21.7 22.2 -3.5 324 624 A A H X S+ 0 0 47 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.919 110.7 50.9 -65.6 -42.1 18.5 21.1 -5.2 325 625 A G H X S+ 0 0 27 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.940 114.3 42.3 -60.7 -47.5 18.4 17.7 -3.4 326 626 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.888 113.0 53.5 -68.2 -39.1 18.8 19.3 0.0 327 627 A T H X S+ 0 0 15 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.935 107.5 51.1 -62.0 -42.8 16.3 22.1 -0.7 328 628 A D H < S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.3 45.1 -61.9 -35.0 13.7 19.6 -1.8 329 629 A F H < S+ 0 0 2 -4,-1.5 4,-0.4 -5,-0.2 -2,-0.2 0.906 117.1 42.6 -73.2 -44.6 14.2 17.7 1.4 330 630 A L H >X S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 4,-0.6 0.859 98.0 67.0 -76.1 -40.3 14.3 20.7 3.8 331 631 A L G >< S+ 0 0 65 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.874 97.2 54.9 -55.5 -38.9 11.5 22.9 2.6 332 632 A P G >4 S+ 0 0 48 0, 0.0 10,-2.3 0, 0.0 3,-0.8 0.819 107.2 53.3 -62.7 -26.7 8.7 20.5 3.6 333 633 A M G <4 S+ 0 0 0 -3,-1.2 -95,-0.3 -4,-0.4 -2,-0.2 0.557 108.0 50.8 -82.9 -9.2 10.2 20.5 7.1 334 634 A L G << S+ 0 0 2 -3,-1.6 -1,-0.2 -4,-0.6 -3,-0.1 0.124 73.8 141.8-113.2 15.4 10.0 24.3 7.2 335 635 A E < - 0 0 78 -3,-0.8 6,-0.2 1,-0.1 5,-0.1 -0.374 50.1-138.6 -56.7 136.3 6.3 24.7 6.2 336 636 A L S S+ 0 0 12 -63,-0.2 -115,-0.1 4,-0.1 -1,-0.1 0.877 87.6 70.5 -71.0 -38.6 4.9 27.6 8.2 337 637 A I S >> S- 0 0 18 1,-0.2 3,-1.8 -117,-0.0 4,-0.8 -0.702 79.1-147.5 -79.7 115.2 1.5 26.0 9.0 338 638 A P G >4 S+ 0 0 10 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.858 94.6 57.3 -53.0 -38.6 2.4 23.2 11.5 339 639 A E G 34 S+ 0 0 158 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.701 108.5 48.1 -66.9 -17.8 -0.3 20.8 10.3 340 640 A K G <4 S+ 0 0 139 -3,-1.8 -1,-0.2 2,-0.1 3,-0.1 0.529 88.4 110.6 -97.6 -8.9 1.1 21.0 6.7 341 641 A R S << S- 0 0 9 -3,-0.9 -8,-0.2 -4,-0.8 -10,-0.0 -0.333 81.2 -95.8 -68.0 145.6 4.7 20.4 7.8 342 642 A A - 0 0 11 -10,-2.3 2,-0.2 -11,-0.1 -1,-0.1 -0.282 39.3-132.3 -59.3 144.6 6.3 17.1 6.8 343 643 A T > - 0 0 67 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.497 25.0-105.8 -91.2 168.5 6.1 14.4 9.6 344 644 A A H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.939 122.8 53.7 -61.3 -42.9 9.1 12.4 10.6 345 645 A A H > S+ 0 0 31 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.911 109.8 47.2 -57.2 -44.2 7.6 9.4 8.8 346 646 A E H >4 S+ 0 0 91 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.906 109.7 52.7 -66.2 -41.2 7.3 11.4 5.6 347 647 A C H >< S+ 0 0 5 -4,-2.5 3,-1.6 1,-0.3 6,-0.3 0.887 102.9 59.4 -61.4 -37.7 10.8 12.7 5.8 348 648 A L H 3< S+ 0 0 42 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.724 102.9 52.7 -65.2 -18.8 12.1 9.2 6.2 349 649 A R T << S+ 0 0 177 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.509 83.9 115.4 -93.1 -3.7 10.6 8.3 2.8 350 650 A H S X> S- 0 0 29 -3,-1.6 3,-1.4 -4,-0.4 4,-0.5 -0.437 70.2-131.7 -69.8 134.0 12.3 11.2 1.1 351 651 A P G >4 S+ 0 0 81 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.747 98.1 74.9 -57.8 -23.3 14.9 10.3 -1.5 352 652 A W G >4 S+ 0 0 16 1,-0.2 3,-1.3 2,-0.2 -26,-0.1 0.870 89.4 58.6 -59.2 -34.7 17.5 12.6 -0.1 353 653 A L G <4 S+ 0 0 1 -3,-1.4 -1,-0.2 -6,-0.3 -222,-0.1 0.838 104.8 46.1 -65.8 -36.4 18.2 10.3 2.8 354 654 A N G << 0 0 112 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.188 360.0 360.0 -90.9 16.9 19.2 7.2 0.8 355 655 A S < 0 0 105 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.1 -0.023 360.0 360.0 30.1 360.0 21.4 9.6 -1.3