==== 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 14-SEP-10 3OU5 . COMPND 2 MOLECULE: SERINE HYDROXYMETHYLTRANSFERASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DONG,H.WU,H.ZENG,P.LOPPNAU,M.SUNDSTROM,C.H.ARROWSMITH,A.M. . 422 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 0 1 1 0 2 2 1 0 0 1 2 0 1 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 PARALLEL BRIDGES PER LADDER . 0 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 26 A G 0 0 100 0, 0.0 10,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-139.5 -15.7 56.4 52.0 2 27 A W + 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.768 360.0 8.7 -79.5 -36.1 -18.1 58.8 53.6 3 28 A T S S- 0 0 89 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.753 91.3-129.5-106.7 -35.2 -19.7 59.2 50.2 4 29 A G S S+ 0 0 58 3,-0.1 0, 0.0 0, 0.0 0, 0.0 0.641 93.9 87.3 83.6 18.7 -18.1 56.6 48.0 5 30 A Q + 0 0 164 2,-0.1 2,-0.0 0, 0.0 0, 0.0 0.316 54.9 121.9-127.7 -3.4 -17.4 59.3 45.5 6 31 A E - 0 0 76 1,-0.1 2,-0.1 2,-0.1 3,-0.0 -0.323 68.9-105.2 -60.9 144.7 -14.1 60.5 46.8 7 32 A S > - 0 0 45 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.358 19.9-121.5 -66.3 152.8 -11.2 60.4 44.4 8 33 A L H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 8,-0.4 0.906 112.9 56.2 -60.0 -43.8 -8.5 57.6 44.7 9 34 A S H 4 S+ 0 0 45 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.882 113.7 39.8 -59.0 -39.1 -5.8 60.3 45.1 10 35 A D H 4 S+ 0 0 132 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.888 122.9 38.0 -74.2 -45.0 -7.6 61.8 48.1 11 36 A S H < S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.769 129.5 23.6 -83.8 -26.3 -8.8 58.7 49.8 12 37 A D X + 0 0 67 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 -0.598 61.1 168.2-141.5 76.4 -5.8 56.3 49.3 13 38 A P H > S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.836 78.9 58.1 -62.3 -35.1 -2.5 58.3 48.7 14 39 A E H > S+ 0 0 155 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.955 111.8 40.3 -59.4 -47.4 -0.4 55.2 49.1 15 40 A M H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 111.3 56.9 -69.3 -43.3 -2.2 53.5 46.2 16 41 A W H X S+ 0 0 40 -4,-2.6 4,-2.1 -8,-0.4 -1,-0.2 0.904 108.1 48.9 -50.4 -40.3 -2.3 56.6 44.1 17 42 A E H X S+ 0 0 99 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.901 106.6 55.2 -73.7 -35.0 1.5 56.8 44.4 18 43 A L H X S+ 0 0 93 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.925 110.0 47.6 -57.8 -43.1 1.9 53.2 43.4 19 44 A L H X S+ 0 0 50 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.868 109.8 50.8 -67.0 -42.5 -0.1 53.9 40.2 20 45 A Q H X S+ 0 0 63 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.921 111.2 50.5 -62.1 -41.7 1.9 57.1 39.4 21 46 A R H X S+ 0 0 95 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.924 112.1 45.2 -58.1 -50.9 5.0 55.0 39.8 22 47 A E H X S+ 0 0 76 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.927 112.8 52.8 -61.1 -40.3 3.8 52.3 37.5 23 48 A K H X S+ 0 0 23 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.925 108.6 48.1 -60.5 -44.8 2.6 54.9 35.1 24 49 A D H X S+ 0 0 53 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.956 109.2 55.9 -61.4 -39.6 6.0 56.6 35.0 25 50 A R H X S+ 0 0 108 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.893 109.4 44.7 -59.7 -41.5 7.6 53.1 34.4 26 51 A Q H >< S+ 0 0 63 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.884 113.5 51.0 -69.7 -42.5 5.4 52.5 31.3 27 52 A C H 3< S+ 0 0 28 -4,-2.3 391,-0.2 1,-0.2 -2,-0.2 0.844 110.5 47.2 -62.7 -36.5 6.0 56.0 30.0 28 53 A R H 3< S+ 0 0 55 -4,-2.3 387,-0.3 -5,-0.2 388,-0.3 0.486 102.8 80.1 -86.5 -5.8 9.9 55.8 30.3 29 54 A G S << S- 0 0 12 -3,-0.6 2,-0.6 -4,-0.5 298,-0.2 -0.492 75.0-126.8-104.4 165.1 10.2 52.3 28.7 30 55 A L E -a 327 0A 0 296,-2.3 298,-2.0 -2,-0.2 2,-1.0 -0.962 27.5-153.6-108.5 101.6 10.3 50.9 25.2 31 56 A E E +a 328 0A 23 -2,-0.6 322,-0.7 296,-0.2 321,-0.1 -0.738 29.5 158.4 -82.9 107.2 7.7 48.1 25.2 32 57 A L + 0 0 0 296,-2.2 317,-2.3 -2,-1.0 2,-0.4 0.240 25.1 128.9-108.5 11.5 8.6 45.6 22.5 33 58 A I > - 0 0 34 315,-0.2 3,-2.0 296,-0.2 319,-0.3 -0.582 57.0-142.5 -68.7 116.5 6.6 42.6 23.9 34 59 A A T 3 S+ 0 0 2 -2,-0.4 -1,-0.2 1,-0.3 316,-0.1 0.681 96.8 49.1 -60.8 -16.0 4.8 41.6 20.7 35 60 A S T 3 S+ 0 0 26 168,-0.1 -1,-0.3 314,-0.1 2,-0.3 0.202 96.8 90.8-105.0 9.3 1.6 40.7 22.7 36 61 A E < + 0 0 64 -3,-2.0 2,-0.3 -5,-0.0 316,-0.2 -0.694 43.3 158.2-107.7 161.6 1.4 43.9 24.7 37 62 A N - 0 0 15 -2,-0.3 2,-0.5 314,-0.1 315,-0.1 -0.939 41.4 -99.0-163.0-179.2 -0.3 47.1 24.1 38 63 A F - 0 0 14 -2,-0.3 384,-0.1 314,-0.2 2,-0.1 -0.963 38.2-129.6-117.8 113.0 -1.6 50.2 25.9 39 64 A C - 0 0 27 -2,-0.5 168,-0.2 382,-0.1 167,-0.1 -0.353 24.4-112.8 -64.9 138.5 -5.4 50.3 26.6 40 65 A S > - 0 0 23 166,-1.1 4,-1.8 381,-0.1 5,-0.2 -0.292 19.0-121.1 -65.6 148.1 -7.4 53.3 25.6 41 66 A R H > S+ 0 0 125 381,-0.4 4,-2.1 2,-0.2 5,-0.1 0.846 110.2 59.3 -47.6 -46.1 -8.9 55.6 28.3 42 67 A A H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.944 105.6 45.5 -64.7 -42.5 -12.4 54.9 26.8 43 68 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 113.7 50.9 -63.6 -39.9 -12.3 51.2 27.3 44 69 A L H X S+ 0 0 57 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.806 105.4 56.8 -67.1 -32.2 -10.9 51.7 30.8 45 70 A E H < S+ 0 0 96 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.895 108.8 45.8 -65.0 -44.2 -13.8 54.1 31.6 46 71 A A H >< S+ 0 0 19 -4,-1.8 3,-1.4 1,-0.2 5,-0.3 0.856 109.2 56.4 -60.2 -43.9 -16.4 51.5 30.8 47 72 A L H 3< S+ 0 0 62 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.893 110.4 43.9 -60.5 -34.5 -14.5 48.9 32.8 48 73 A G T 3< S+ 0 0 64 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.056 96.6 117.0-100.0 31.2 -14.6 51.1 35.9 49 74 A S S X S- 0 0 37 -3,-1.4 3,-2.1 1,-0.1 4,-0.1 -0.208 86.3 -89.0 -95.0 177.1 -18.3 52.0 35.4 50 75 A C G >> S+ 0 0 101 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.562 111.3 87.1 -66.3 -2.3 -21.5 51.5 37.4 51 76 A L G 34 S+ 0 0 30 -5,-0.3 201,-0.4 1,-0.3 3,-0.3 0.702 73.2 72.9 -68.8 -17.8 -21.9 48.2 35.4 52 77 A N G <4 S+ 0 0 88 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.696 95.9 51.3 -54.4 -32.6 -19.7 46.8 38.2 53 78 A N T <4 S+ 0 0 142 -3,-1.8 2,-0.8 -4,-0.1 -1,-0.2 0.681 91.0 87.2 -78.3 -24.4 -22.9 47.1 40.4 54 79 A K < - 0 0 50 -4,-0.6 2,-0.5 -3,-0.3 197,-0.3 -0.679 62.0-164.6 -89.8 106.1 -25.2 45.3 38.0 55 80 A Y + 0 0 107 -2,-0.8 2,-0.3 195,-0.1 195,-0.1 -0.780 21.3 151.1 -93.3 126.0 -25.2 41.4 38.5 56 81 A S + 0 0 50 -2,-0.5 2,-0.3 193,-0.4 195,-0.1 -0.945 16.3 174.6-144.8 162.4 -26.6 39.2 35.8 57 82 A E 0 0 142 -2,-0.3 191,-0.1 191,-0.2 190,-0.0 -0.983 360.0 360.0-158.6 165.8 -26.5 35.7 34.2 58 83 A G 0 0 95 -2,-0.3 -1,-0.0 189,-0.1 189,-0.0 0.341 360.0 360.0 130.4 360.0 -28.1 33.4 31.6 59 ! 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 60 94 A E > 0 0 130 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.0 -32.8 46.1 30.5 61 95 A V H > + 0 0 73 2,-0.2 4,-1.6 1,-0.1 0, 0.0 0.861 360.0 55.4 -76.1 -36.7 -29.6 48.1 29.7 62 96 A V H > S+ 0 0 24 2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.952 104.5 51.4 -61.5 -57.3 -27.2 45.1 30.2 63 97 A D H > S+ 0 0 114 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.915 109.8 52.7 -43.3 -44.7 -28.9 42.8 27.7 64 98 A E H X S+ 0 0 51 -4,-1.0 4,-2.1 2,-0.2 -2,-0.3 0.915 108.5 51.7 -58.5 -35.4 -28.6 45.8 25.5 65 99 A I H X S+ 0 0 23 -4,-1.6 4,-3.9 -3,-0.3 -2,-0.2 0.969 112.1 41.7 -68.7 -53.9 -24.8 45.8 26.4 66 100 A E H X S+ 0 0 45 -4,-2.4 4,-3.5 1,-0.2 -1,-0.2 0.884 117.6 47.1 -59.5 -43.4 -24.1 42.1 25.5 67 101 A L H X S+ 0 0 81 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.853 113.9 49.8 -67.2 -41.2 -26.2 42.2 22.4 68 102 A L H X S+ 0 0 55 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.954 111.6 47.1 -57.1 -52.2 -24.4 45.4 21.5 69 103 A C H X S+ 0 0 0 -4,-3.9 4,-2.7 1,-0.2 -2,-0.2 0.942 112.6 50.7 -57.4 -45.8 -21.1 43.8 22.2 70 104 A Q H X S+ 0 0 53 -4,-3.5 4,-1.7 1,-0.2 -1,-0.2 0.925 111.6 47.4 -55.0 -46.9 -22.2 40.8 20.1 71 105 A R H X S+ 0 0 142 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.828 111.9 49.2 -64.2 -41.8 -23.2 43.1 17.3 72 106 A R H X S+ 0 0 56 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.868 106.5 57.6 -69.3 -35.2 -20.0 45.1 17.4 73 107 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.936 109.9 42.0 -58.2 -49.4 -17.9 41.9 17.4 74 108 A L H <>S+ 0 0 21 -4,-1.7 5,-2.8 1,-0.2 4,-0.3 0.875 115.5 52.4 -69.0 -36.5 -19.4 40.6 14.1 75 109 A E H ><5S+ 0 0 105 -4,-1.6 3,-1.2 3,-0.2 -1,-0.2 0.898 104.1 54.6 -59.0 -50.7 -19.2 44.1 12.6 76 110 A A H 3<5S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 116.1 39.8 -56.9 -29.2 -15.5 44.6 13.5 77 111 A F T 3<5S- 0 0 12 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.323 111.6-118.3-109.6 11.6 -14.7 41.4 11.6 78 112 A D T < 5 + 0 0 123 -3,-1.2 2,-0.4 -4,-0.3 -3,-0.2 0.922 56.4 163.4 60.9 48.5 -17.1 42.0 8.7 79 113 A L < - 0 0 22 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.817 42.3-122.0-109.1 141.7 -19.2 38.9 9.5 80 114 A D >> - 0 0 84 -2,-0.4 4,-2.0 1,-0.2 3,-1.7 -0.642 15.6-143.6 -81.2 119.8 -22.7 37.8 8.3 81 115 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.702 102.2 59.9 -55.6 -19.4 -25.0 37.2 11.4 82 116 A A T 34 S+ 0 0 62 1,-0.1 137,-0.1 3,-0.0 3,-0.1 0.783 115.7 31.7 -76.3 -25.5 -26.6 34.4 9.4 83 117 A Q T <4 S+ 0 0 91 -3,-1.7 134,-2.3 1,-0.2 2,-0.4 0.655 120.3 43.3-106.4 -16.2 -23.2 32.6 9.1 84 118 A W E < -B 216 0B 9 -4,-2.0 2,-0.3 132,-0.3 132,-0.2 -0.993 53.1-174.2-134.3 138.6 -21.4 33.5 12.3 85 119 A G E -B 215 0B 5 130,-2.8 130,-2.4 -2,-0.4 2,-0.4 -0.821 13.2-150.9-114.6 171.3 -22.3 33.8 16.0 86 120 A V E -B 214 0B 7 -2,-0.3 2,-0.7 128,-0.2 128,-0.3 -0.994 12.6-150.5-144.7 135.5 -20.1 35.1 18.8 87 121 A N E +B 213 0B 14 126,-3.5 126,-1.6 -2,-0.4 -2,-0.0 -0.903 18.3 176.3-103.2 108.5 -19.9 34.4 22.4 88 122 A V + 0 0 2 -2,-0.7 -1,-0.1 124,-0.2 169,-0.1 0.126 58.6 85.5 -96.5 15.4 -18.6 37.6 24.1 89 123 A Q + 0 0 18 124,-0.1 161,-0.4 160,-0.1 -1,-0.2 0.743 51.1 118.1 -97.6 -19.9 -18.8 36.4 27.7 90 124 A P - 0 0 2 0, 0.0 121,-1.6 0, 0.0 3,-0.0 -0.128 59.8-139.8 -59.9 142.3 -15.5 34.7 28.2 91 125 A Y S S- 0 0 93 119,-0.2 2,-0.2 158,-0.0 -3,-0.0 0.817 72.8 -14.6 -74.9 -39.2 -13.4 36.4 30.9 92 126 A S S > S- 0 0 42 118,-0.2 4,-0.8 108,-0.0 118,-0.2 -0.721 86.5 -72.0-144.7-159.7 -10.0 36.1 29.2 93 127 A G H > S+ 0 0 12 -2,-0.2 4,-1.5 2,-0.2 119,-0.1 0.867 120.3 48.0 -76.4 -39.8 -8.2 34.3 26.4 94 128 A S H > S+ 0 0 73 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.850 104.6 57.9 -78.5 -34.7 -7.9 30.8 27.7 95 129 A P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.851 105.7 54.8 -54.9 -36.4 -11.6 30.4 28.8 96 130 A A H X S+ 0 0 0 -4,-0.8 4,-0.6 2,-0.2 -2,-0.2 0.964 113.5 39.5 -61.3 -49.5 -12.4 31.2 25.2 97 131 A N H >X S+ 0 0 22 -4,-1.5 4,-1.9 2,-0.2 3,-0.9 0.924 115.3 50.4 -67.1 -49.0 -10.2 28.3 24.0 98 132 A L H 3X S+ 0 0 86 -4,-3.4 4,-2.3 1,-0.3 5,-0.4 0.922 104.7 58.3 -53.0 -49.7 -11.1 25.8 26.8 99 133 A A H 3X S+ 0 0 1 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.3 0.771 108.1 51.2 -53.1 -25.8 -14.8 26.5 26.0 100 134 A V H >> -H 126 0D 54 5,-3.5 4,-3.3 -2,-0.3 3,-1.2 -0.731 23.8-152.0 -78.2 109.2 10.5 23.8 8.6 122 183 A P T 345S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 174,-0.1 0.700 91.1 58.2 -63.3 -18.5 13.9 24.9 10.1 123 184 A K T 345S+ 0 0 91 1,-0.1 173,-0.1 3,-0.1 -2,-0.0 0.820 125.0 18.0 -77.5 -34.3 15.3 25.6 6.6 124 185 A T T <45S- 0 0 67 -3,-1.2 -1,-0.1 2,-0.2 3,-0.1 0.550 93.5-131.8-109.8 -17.1 12.6 28.2 5.7 125 186 A G T <5 + 0 0 4 -4,-3.3 2,-0.3 1,-0.3 -5,-0.0 0.693 68.1 123.6 64.9 20.9 11.2 29.0 9.2 126 187 A L E + 0 0 42 -9,-2.2 4,-2.0 1,-0.2 -9,-0.3 -0.707 33.7 176.4 -76.6 87.1 5.8 22.9 7.2 129 190 A Y H > S+ 0 0 24 -2,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.805 73.1 61.7 -65.8 -28.1 2.3 22.4 5.7 130 191 A N H > S+ 0 0 102 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.957 107.5 41.6 -65.9 -47.6 3.5 19.2 3.8 131 192 A Q H > S+ 0 0 99 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.932 110.3 58.5 -64.8 -41.9 4.3 17.4 7.1 132 193 A L H X S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.923 109.0 46.0 -49.7 -46.0 1.1 18.7 8.8 133 194 A A H X S+ 0 0 18 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.832 116.2 43.2 -70.9 -34.3 -0.9 17.0 6.0 134 195 A L H X S+ 0 0 41 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.919 114.6 49.8 -77.8 -44.8 1.0 13.7 6.1 135 196 A T H X S+ 0 0 45 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.796 112.9 47.6 -58.8 -36.0 1.0 13.6 9.9 136 197 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.4 -1,-0.2 0.862 103.5 58.9 -81.3 -39.0 -2.7 14.2 10.0 137 198 A R H < S+ 0 0 119 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.922 117.3 37.5 -45.6 -45.0 -3.6 11.7 7.4 138 199 A L H < S+ 0 0 81 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.975 122.4 39.4 -71.6 -58.2 -1.9 9.3 9.9 139 200 A F H < S- 0 0 87 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.717 85.5-150.5 -68.9 -26.9 -3.0 10.7 13.2 140 201 A R < - 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0 0 41 3,-0.4 -1,-0.2 1,-0.1 5,-0.1 -0.821 50.2-160.9-116.0 134.9 17.3 24.5 25.5 340 402 A A S S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.2 -7,-0.1 0.568 100.7 56.7 -80.1 -8.3 14.1 26.3 26.7 341 403 A I S S+ 0 0 63 1,-0.2 -1,-0.2 -25,-0.0 -25,-0.0 0.828 119.9 25.6 -93.5 -41.5 16.3 28.0 29.3 342 404 A T S S+ 0 0 54 -26,-0.1 -3,-0.4 -27,-0.1 -4,-0.2 -0.565 84.5 177.0-117.3 67.9 18.7 29.5 26.8 343 405 A P - 0 0 3 0, 0.0 -28,-2.6 0, 0.0 -27,-0.7 -0.315 32.2-127.3 -62.7 158.8 16.7 29.7 23.6 344 406 A G S S+ 0 0 2 -30,-0.3 -36,-2.5 -29,-0.1 -35,-0.4 0.473 74.3 70.1 -85.8 -1.5 18.4 31.3 20.7 345 407 A G E -KL 307 332F 0 -13,-1.5 -13,-2.2 -38,-0.2 2,-0.4 -0.664 56.6-147.5-128.6 164.3 15.9 34.0 19.7 346 408 A L E -KL 306 331F 2 -40,-1.9 -40,-2.8 -15,-0.3 2,-0.5 -0.991 17.1-146.5-133.2 121.4 14.4 37.3 20.7 347 409 A R E -KL 305 330F 15 -17,-3.0 -17,-1.5 -2,-0.4 2,-0.4 -0.792 19.7-177.8 -89.3 131.6 10.8 38.2 19.8 348 410 A L E -K 304 0F 1 -44,-2.5 -44,-2.5 -2,-0.5 2,-0.3 -0.991 4.2-164.8-130.6 137.3 10.1 41.9 19.1 349 411 A G E -K 303 0F 1 -317,-2.3 4,-0.3 -2,-0.4 -46,-0.2 -0.837 20.8-155.2-127.8 151.6 6.8 43.6 18.3 350 412 A A S > S+ 0 0 0 -48,-2.6 4,-2.1 -2,-0.3 5,-0.2 0.626 73.6 85.7 -88.8 -22.9 5.6 46.8 16.8 351 413 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.875 88.6 47.2 -55.3 -50.2 2.0 47.2 18.2 352 414 A A H >> S+ 0 0 1 -319,-0.3 4,-0.7 -316,-0.2 3,-0.5 0.975 116.6 41.3 -61.4 -50.5 2.7 48.8 21.6 353 415 A L H >4>S+ 0 0 0 -322,-0.7 5,-2.0 -4,-0.3 3,-0.8 0.844 109.1 60.7 -65.6 -30.5 5.1 51.5 20.4 354 416 A T H ><5S+ 0 0 5 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.888 98.5 58.0 -64.9 -30.0 3.0 52.2 17.4 355 417 A S H <<5S+ 0 0 13 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.764 101.1 56.3 -70.2 -22.3 0.2 53.1 19.8 356 418 A R T <<5S- 0 0 2 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.085 128.4-100.3 -92.3 15.0 2.6 55.8 21.2 357 419 A Q T < 5 + 0 0 74 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.626 63.5 165.3 76.8 22.1 2.9 57.2 17.7 358 420 A F < - 0 0 0 -5,-2.0 -1,-0.2 -8,-0.1 2,-0.2 -0.402 17.4-161.7 -64.1 138.5 6.2 55.7 16.8 359 421 A R > - 0 0 106 -2,-0.1 4,-1.8 -80,-0.1 3,-0.3 -0.531 38.7 -84.4-113.2-176.8 7.0 55.9 13.1 360 422 A E H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.881 127.8 51.6 -61.3 -39.7 9.5 53.9 11.0 361 423 A D H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.853 106.7 55.6 -66.1 -33.7 12.5 56.2 11.8 362 424 A D H > S+ 0 0 42 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.886 106.6 50.9 -64.5 -35.7 11.6 55.9 15.5 363 425 A F H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.823 104.9 54.8 -68.3 -38.8 11.9 52.1 15.1 364 426 A R H X S+ 0 0 67 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.956 108.2 52.2 -59.0 -41.6 15.3 52.4 13.5 365 427 A R H X S+ 0 0 105 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.853 106.8 51.3 -53.6 -44.4 16.2 54.3 16.6 366 428 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.914 107.6 52.6 -64.3 -42.7 15.0 51.5 18.8 367 429 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.911 104.9 55.9 -60.4 -41.7 17.0 49.0 16.9 368 430 A D H X S+ 0 0 69 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.952 110.1 45.9 -53.5 -50.9 20.1 51.2 17.5 369 431 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.883 112.6 49.7 -58.2 -46.0 19.5 51.0 21.2 370 432 A I H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.890 107.4 54.9 -60.2 -44.2 18.9 47.2 21.1 371 433 A D H X S+ 0 0 35 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.925 107.6 50.3 -56.5 -38.5 22.1 46.8 19.2 372 434 A E H X S+ 0 0 66 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.845 110.8 49.6 -67.6 -36.6 24.0 48.6 21.9 373 435 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.885 108.9 50.2 -68.3 -46.0 22.4 46.4 24.5 374 436 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.882 107.7 55.9 -58.4 -43.0 23.3 43.2 22.7 375 437 A N H X S+ 0 0 74 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 107.7 48.0 -53.2 -51.2 26.9 44.5 22.5 376 438 A I H X S+ 0 0 7 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.881 110.4 52.7 -55.1 -38.8 27.0 44.9 26.3 377 439 A G H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.909 108.0 50.9 -67.3 -38.9 25.6 41.3 26.5 378 440 A L H X S+ 0 0 48 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.947 111.4 47.0 -61.5 -50.2 28.3 40.0 24.3 379 441 A E H >X S+ 0 0 28 -4,-2.4 3,-1.4 1,-0.2 4,-0.8 0.991 114.5 47.8 -50.5 -57.8 31.0 41.7 26.4 380 442 A V H >< S+ 0 0 1 -4,-2.9 3,-1.1 1,-0.3 4,-0.3 0.857 107.9 54.5 -54.3 -40.9 29.4 40.4 29.6 381 443 A K H >< S+ 0 0 74 -4,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.789 103.5 57.0 -64.7 -29.5 29.1 36.9 28.1 382 444 A S H << S+ 0 0 96 -4,-1.4 -1,-0.3 -3,-1.4 -2,-0.2 0.685 111.0 43.1 -75.2 -15.8 32.9 36.9 27.4 383 445 A K T << S+ 0 0 100 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 0.309 111.6 57.8-105.9 -0.6 33.7 37.6 31.1 384 446 A T < - 0 0 32 -3,-0.6 3,-0.1 -4,-0.3 6,-0.0 -0.883 55.3-156.5-138.9 166.9 31.2 35.2 32.7 385 447 A A + 0 0 73 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.825 67.8 35.7-111.4 -79.5 30.3 31.5 32.9 386 448 A K S > S- 0 0 110 1,-0.1 4,-2.6 4,-0.0 -1,-0.2 -0.379 81.7-109.1 -82.1 162.9 26.8 30.4 34.0 387 449 A L H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.871 122.2 52.3 -56.8 -37.6 23.6 32.3 33.2 388 450 A Q H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.829 107.5 50.5 -71.5 -32.9 23.4 33.3 36.8 389 451 A D H > S+ 0 0 55 2,-0.2 4,-2.8 -3,-0.2 -2,-0.2 0.950 110.2 51.2 -63.6 -47.4 26.9 34.6 36.8 390 452 A F H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.926 113.0 46.6 -51.3 -46.8 26.0 36.6 33.7 391 453 A K H X S+ 0 0 75 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.873 113.3 44.8 -68.9 -45.6 23.0 38.0 35.5 392 454 A S H >X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 3,-0.8 0.859 107.3 61.5 -70.7 -29.6 24.7 38.9 38.8 393 455 A F H 3X S+ 0 0 47 -4,-2.8 4,-2.6 1,-0.2 8,-0.3 0.863 96.4 59.7 -57.7 -41.2 27.6 40.5 36.8 394 456 A L H 3< S+ 0 0 2 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.782 115.8 34.2 -57.2 -33.3 25.2 43.0 35.3 395 457 A L H << S+ 0 0 108 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.803 125.9 37.3 -91.2 -34.0 24.3 44.2 38.7 396 458 A K H < S+ 0 0 87 -4,-2.4 2,-0.5 5,-0.0 -3,-0.2 0.637 88.3 93.9-103.0 -22.1 27.6 43.9 40.5 397 459 A D X - 0 0 43 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 -0.696 64.5-147.9 -77.7 127.6 30.3 44.8 38.0 398 460 A S H > S+ 0 0 87 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.924 95.0 42.2 -61.6 -51.8 31.2 48.4 38.3 399 461 A E H > S+ 0 0 121 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.882 117.6 46.6 -65.0 -43.4 32.0 49.1 34.6 400 462 A T H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.965 110.5 53.9 -62.3 -46.6 29.0 47.1 33.3 401 463 A S H X S+ 0 0 51 -4,-3.1 4,-2.1 -8,-0.3 -1,-0.2 0.832 110.0 47.4 -56.7 -39.2 26.7 48.7 35.8 402 464 A Q H X S+ 0 0 102 -4,-1.6 4,-1.5 2,-0.2 -1,-0.3 0.826 110.1 50.0 -76.2 -34.2 27.7 52.2 34.6 403 465 A R H X S+ 0 0 96 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.850 111.8 49.8 -71.6 -34.7 27.4 51.4 30.9 404 466 A L H X S+ 0 0 11 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.959 108.4 52.9 -64.6 -47.9 23.9 50.0 31.6 405 467 A A H X S+ 0 0 38 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.838 110.6 47.7 -57.1 -35.4 23.0 53.1 33.5 406 468 A N H X S+ 0 0 91 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.881 113.0 45.6 -75.7 -44.5 24.1 55.3 30.6 407 469 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.936 114.8 51.6 -58.0 -41.3 22.2 53.4 27.9 408 470 A R H X S+ 0 0 105 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.949 106.2 51.0 -64.3 -50.1 19.2 53.3 30.2 409 471 A Q H X S+ 0 0 140 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.845 114.1 47.0 -58.5 -32.9 19.1 57.1 30.9 410 472 A R H X S+ 0 0 89 -4,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.835 110.1 50.4 -75.9 -41.4 19.2 57.6 27.1 411 473 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.976 113.7 46.5 -57.6 -47.8 16.5 55.0 26.3 412 474 A E H X S+ 0 0 23 -4,-2.8 4,-2.9 1,-0.3 5,-0.2 0.894 108.4 53.3 -71.2 -37.1 14.2 56.6 28.8 413 475 A Q H < S+ 0 0 93 -4,-1.7 4,-0.4 -5,-0.3 -1,-0.3 0.876 113.4 46.0 -64.9 -34.6 14.8 60.2 27.7 414 476 A F H >< S+ 0 0 29 -4,-1.6 3,-1.0 -3,-0.2 -2,-0.2 0.945 114.7 46.4 -67.9 -45.5 13.9 59.1 24.2 415 477 A A H >< S+ 0 0 0 -4,-2.7 3,-2.3 -387,-0.3 -2,-0.2 0.914 101.0 64.3 -68.9 -44.8 10.8 57.2 25.3 416 478 A R T 3< S+ 0 0 117 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.658 91.0 67.9 -50.6 -23.6 9.3 59.8 27.6 417 479 A A T < S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.623 86.1 82.4 -77.1 -16.7 8.8 62.2 24.7 418 480 A F S < S- 0 0 35 -3,-2.3 -61,-0.1 -391,-0.2 -62,-0.0 -0.672 84.7-110.4 -90.0 149.9 6.1 60.0 23.1 419 481 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.122 25.8-140.7 -74.8 174.8 2.5 60.1 24.2 420 482 A M - 0 0 35 2,-0.1 -64,-0.1 -63,-0.0 -393,-0.1 -0.945 9.1-128.5-145.0 117.9 0.7 57.3 26.1 421 483 A P S S+ 0 0 36 0, 0.0 2,-0.2 0, 0.0 -381,-0.1 -0.183 72.1 48.9 -56.0 155.7 -2.9 56.0 25.7 422 484 A G S S- 0 0 17 -384,-0.1 -381,-0.4 4,-0.0 2,-0.2 -0.693 101.4 -20.4 113.3-167.9 -5.0 55.7 28.9 423 485 A F - 0 0 48 -2,-0.2 -381,-0.0 -383,-0.1 0, 0.0 -0.500 63.9-115.7 -76.5 151.3 -5.7 58.1 31.7 424 486 A D S S+ 0 0 153 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.0 0.872 102.4 13.5 -54.3 -44.3 -3.3 61.1 32.3 425 487 A E 0 0 111 -402,-0.0 -1,-0.2 -401,-0.0 -402,-0.2 0.540 360.0 360.0-119.8 -15.0 -1.9 60.1 35.7 426 488 A H 0 0 85 -403,-0.1 -2,-0.1 -404,-0.1 -404,-0.0 0.437 360.0 360.0-146.1 360.0 -2.8 56.6 36.5