==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 01-JUL-98 1HKC . COMPND 2 MOLECULE: D-GLUCOSE 6-PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.ALESHIN,R.B.HONZATKO . 899 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 673 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 64 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 323 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 2 2 1 2 2 4 1 1 1 0 2 0 2 0 0 0 0 0 0 1 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 0 0 0 5 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 PARALLEL BRIDGES PER LADDER . 2 3 0 1 4 0 3 0 0 1 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 2 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 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 16 A D > 0 0 162 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -53.5 16.0 106.1 -16.4 2 17 A D H > + 0 0 105 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.903 360.0 50.0 -43.0 -46.4 15.8 107.4 -19.9 3 18 A Q H > S+ 0 0 36 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.957 109.4 48.5 -59.1 -53.4 12.0 107.2 -19.4 4 19 A V H >> S+ 0 0 38 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.899 111.5 51.0 -54.4 -43.0 12.1 109.1 -16.1 5 20 A K H 3X S+ 0 0 83 -4,-3.1 4,-1.4 1,-0.2 -1,-0.3 0.841 105.5 56.2 -64.7 -33.0 14.3 111.7 -17.6 6 21 A K H 3X S+ 0 0 111 -4,-1.9 4,-0.9 -3,-0.4 -1,-0.2 0.754 110.3 45.3 -70.9 -24.5 11.8 112.1 -20.5 7 22 A I H < S+ 0 0 130 -4,-1.4 3,-1.2 2,-0.2 -1,-0.2 0.873 113.8 52.6 -75.9 -38.0 11.5 117.5 -19.0 10 25 A Y H 3< S+ 0 0 59 -4,-0.9 3,-0.3 1,-0.3 -2,-0.2 0.896 121.8 32.1 -63.8 -40.8 7.9 117.0 -20.1 11 26 A L T >< S+ 0 0 4 -4,-3.3 3,-2.6 1,-0.2 4,-0.3 -0.017 79.4 130.2-106.3 29.8 6.6 118.0 -16.7 12 27 A Y G X + 0 0 166 -3,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.852 67.4 62.4 -51.4 -37.3 9.4 120.5 -15.9 13 28 A A G 3 S+ 0 0 41 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.575 97.6 56.9 -67.7 -10.2 6.8 123.1 -14.9 14 29 A M G < S+ 0 0 5 -3,-2.6 2,-0.9 -6,-0.2 -1,-0.3 0.382 87.5 86.9 -99.9 2.0 5.6 120.9 -12.1 15 30 A R < - 0 0 135 -3,-1.9 2,-0.2 -4,-0.3 -1,-0.1 -0.815 69.4-160.2-105.0 93.3 9.0 120.7 -10.6 16 31 A L - 0 0 26 -2,-0.9 2,-0.2 1,-0.1 -2,-0.1 -0.508 7.8-136.8 -78.1 137.5 9.3 123.7 -8.3 17 32 A S > - 0 0 41 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.524 24.1-114.2 -88.1 159.2 12.8 125.0 -7.2 18 33 A D H > S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.889 121.6 59.2 -60.3 -35.8 13.5 126.0 -3.6 19 34 A E H > S+ 0 0 143 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.947 109.7 43.6 -55.4 -46.5 13.9 129.5 -5.1 20 35 A T H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 112.0 51.6 -64.7 -46.8 10.4 129.2 -6.3 21 36 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.930 108.9 49.9 -58.3 -47.5 9.0 127.7 -3.1 22 37 A I H X S+ 0 0 82 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.896 109.6 53.1 -59.2 -39.5 10.5 130.5 -0.9 23 38 A D H X S+ 0 0 68 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.970 110.8 45.7 -59.3 -51.8 9.0 133.0 -3.3 24 39 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.894 109.4 55.9 -58.6 -39.1 5.6 131.3 -2.8 25 40 A M H X S+ 0 0 10 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.919 110.1 46.3 -58.0 -42.6 6.2 131.2 0.9 26 41 A T H X S+ 0 0 84 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.869 108.1 54.9 -67.6 -39.8 6.7 135.0 0.7 27 42 A R H X S+ 0 0 43 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.894 109.2 48.7 -62.4 -40.1 3.6 135.6 -1.4 28 43 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.884 103.5 59.2 -67.6 -38.4 1.5 133.8 1.2 29 44 A R H X S+ 0 0 77 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.901 108.3 47.3 -56.4 -39.1 3.0 135.8 4.0 30 45 A K H X S+ 0 0 113 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.845 108.4 53.3 -70.7 -35.7 1.7 138.9 2.2 31 46 A E H X S+ 0 0 8 -4,-1.6 4,-1.8 1,-0.2 15,-0.2 0.810 108.1 52.7 -69.1 -28.3 -1.7 137.3 1.7 32 47 A M H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.895 108.6 48.5 -72.5 -41.8 -1.8 136.6 5.4 33 48 A K H X S+ 0 0 130 -4,-1.7 4,-2.5 -5,-0.2 3,-0.4 0.965 112.0 49.2 -62.2 -52.0 -1.1 140.3 6.3 34 49 A N H < S+ 0 0 18 -4,-2.4 6,-0.3 1,-0.2 -2,-0.2 0.892 109.2 51.3 -56.5 -44.8 -3.7 141.6 3.9 35 50 A G H < S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.830 113.5 44.9 -64.0 -31.5 -6.5 139.3 5.2 36 51 A L H < S+ 0 0 8 -4,-1.5 196,-0.5 -3,-0.4 195,-0.3 0.861 97.3 87.4 -79.4 -37.0 -5.8 140.3 8.8 37 52 A S S X S- 0 0 18 -4,-2.5 4,-1.7 -5,-0.2 3,-0.1 -0.394 73.9-141.0 -66.5 137.4 -5.6 144.0 8.0 38 53 A R T 4 S+ 0 0 151 1,-0.2 -1,-0.1 2,-0.2 -4,-0.1 0.651 99.1 59.0 -73.2 -15.5 -8.9 145.9 8.0 39 54 A D T 4 S+ 0 0 108 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.897 118.9 23.7 -81.1 -41.4 -7.8 147.9 5.0 40 55 A F T >4 S+ 0 0 104 -6,-0.3 3,-1.2 -7,-0.2 4,-0.2 0.548 96.5 92.2-101.9 -9.3 -7.2 145.0 2.6 41 56 A N G >< S+ 0 0 49 -4,-1.7 3,-2.0 1,-0.2 -1,-0.1 0.897 75.9 68.0 -51.9 -44.4 -9.5 142.4 4.1 42 57 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.801 115.7 24.1 -45.1 -38.5 -12.4 143.5 1.9 43 58 A T G < S+ 0 0 121 -3,-1.2 2,-0.3 -4,-0.1 -2,-0.2 0.040 93.0 125.0-120.4 27.2 -10.7 142.2 -1.2 44 59 A A < - 0 0 22 -3,-2.0 -13,-0.0 -4,-0.2 3,-0.0 -0.700 47.8-154.9 -91.7 139.6 -8.3 139.6 0.1 45 60 A T S S+ 0 0 24 -2,-0.3 2,-1.0 1,-0.2 203,-0.2 0.730 87.8 65.4 -83.1 -25.8 -8.4 136.0 -1.2 46 61 A V S S- 0 0 0 -15,-0.2 -1,-0.2 1,-0.2 199,-0.1 -0.839 75.7-164.6 -97.8 96.1 -7.0 134.5 2.0 47 62 A K - 0 0 41 -2,-1.0 198,-0.2 198,-0.3 -1,-0.2 0.703 4.9-158.3 -55.3 -29.5 -9.9 135.3 4.3 48 63 A M - 0 0 6 196,-1.6 196,-0.3 1,-0.1 197,-0.1 0.923 21.9-160.6 44.4 57.5 -8.0 134.7 7.6 49 64 A L E -A 243 0A 20 194,-2.2 194,-4.2 193,-0.1 2,-0.3 -0.449 15.6-119.8 -75.1 137.9 -11.3 134.2 9.5 50 65 A P E -A 242 0A 29 0, 0.0 95,-0.3 0, 0.0 192,-0.2 -0.594 19.7-167.1 -76.1 133.1 -11.6 134.5 13.3 51 66 A T - 0 0 5 190,-2.3 191,-0.1 -2,-0.3 3,-0.1 0.579 31.7-128.0 -96.6 -14.0 -12.8 131.2 14.9 52 67 A F + 0 0 42 189,-0.4 2,-0.5 1,-0.2 96,-0.2 0.868 68.1 129.3 65.0 36.3 -13.5 132.7 18.3 53 68 A V + 0 0 9 188,-0.3 188,-2.5 1,-0.1 -1,-0.2 -0.977 32.0 178.5-120.5 109.6 -11.4 130.0 19.9 54 69 A R + 0 0 113 -2,-0.5 185,-0.5 186,-0.2 2,-0.3 0.455 58.5 11.2 -95.5 -1.8 -8.9 131.7 22.3 55 70 A S - 0 0 73 183,-0.1 -1,-0.1 186,-0.0 3,-0.1 -0.979 68.9-108.7-169.4 158.0 -7.1 128.7 23.8 56 71 A I - 0 0 17 -2,-0.3 144,-0.1 1,-0.2 145,-0.1 -0.490 64.8 -60.4 -88.7 162.2 -6.4 124.9 23.6 57 72 A P - 0 0 0 0, 0.0 -1,-0.2 0, 0.0 384,-0.0 -0.112 41.4-163.4 -43.8 127.2 -7.8 122.4 26.2 58 73 A D - 0 0 97 -3,-0.1 2,-0.4 1,-0.0 146,-0.0 0.272 44.2-110.7 -97.5 9.5 -6.4 123.2 29.6 59 74 A G S S+ 0 0 44 1,-0.1 145,-0.0 0, 0.0 -1,-0.0 -0.179 100.4 101.2 91.4 -41.9 -7.4 119.8 30.9 60 75 A S + 0 0 88 -2,-0.4 2,-0.3 24,-0.0 -1,-0.1 0.491 55.4 122.7 -55.5 -0.1 -10.1 121.1 33.2 61 76 A E + 0 0 15 22,-0.1 2,-0.3 2,-0.0 379,-0.1 -0.507 32.6 155.7 -72.2 128.3 -12.4 119.9 30.4 62 77 A K + 0 0 119 -2,-0.3 2,-0.3 378,-0.1 21,-0.3 -0.987 15.6 82.4-153.6 142.3 -15.0 117.4 31.5 63 78 A G E -F 82 0B 21 19,-3.9 19,-1.0 -2,-0.3 2,-0.4 -0.964 62.0 -89.8 156.5-171.1 -18.4 116.3 30.2 64 79 A D E +F 81 0B 25 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.957 51.3 147.3-141.4 116.3 -20.4 114.1 27.8 65 80 A F E -F 80 0B 4 15,-2.2 15,-1.3 -2,-0.4 2,-0.2 -0.915 39.0-115.2-145.5 170.5 -21.4 115.4 24.4 66 81 A I E -Fg 79 135B 0 68,-2.5 70,-1.9 -2,-0.3 2,-0.3 -0.601 23.3-157.3-103.0 167.1 -22.1 114.6 20.7 67 82 A A E -Fg 78 136B 0 11,-2.5 11,-2.9 -2,-0.2 2,-0.3 -0.966 4.2-158.5-152.2 130.3 -20.1 115.7 17.7 68 83 A L E -Fg 77 137B 1 68,-2.3 70,-3.1 -2,-0.3 2,-0.4 -0.834 4.6-167.7-106.7 145.9 -21.0 116.0 14.0 69 84 A D E +Fg 76 138B 10 7,-1.7 7,-1.3 -2,-0.3 2,-0.4 -0.839 17.7 161.7-138.4 101.4 -18.4 116.1 11.3 70 85 A L E + g 0 139B 0 68,-2.5 70,-1.6 -2,-0.4 5,-0.1 -0.961 48.2 45.2-125.2 135.6 -19.6 117.1 7.8 71 86 A G S S+ 0 0 3 -2,-0.4 88,-0.2 1,-0.3 -1,-0.1 0.303 88.7 85.6 122.4 -9.1 -17.7 118.3 4.8 72 87 A G S S- 0 0 26 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 -0.010 103.1 -58.4-101.7-151.3 -14.7 115.9 4.6 73 88 A S S S+ 0 0 75 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.902 121.0 11.7 -60.9 -41.4 -14.2 112.5 3.0 74 89 A S S S- 0 0 34 24,-0.1 2,-0.8 -5,-0.0 -2,-0.3 -0.990 72.0-121.4-142.5 150.2 -17.1 111.1 5.1 75 90 A F E + H 0 97B 9 22,-0.5 22,-3.2 -2,-0.3 2,-0.3 -0.790 42.6 170.0 -90.8 107.9 -19.9 112.2 7.4 76 91 A R E -FH 69 96B 55 -7,-1.3 -7,-1.7 -2,-0.8 2,-0.4 -0.812 25.6-145.9-118.6 160.1 -19.5 110.7 10.8 77 92 A I E -FH 68 95B 0 18,-2.7 18,-1.4 -2,-0.3 2,-0.3 -0.986 18.5-168.6-128.3 123.4 -21.2 111.2 14.2 78 93 A L E -FH 67 94B 0 -11,-2.9 -11,-2.5 -2,-0.4 2,-0.6 -0.819 20.3-155.0-115.0 151.6 -19.3 110.9 17.4 79 94 A R E -FH 66 93B 34 14,-2.7 14,-1.5 -2,-0.3 2,-0.3 -0.937 25.4-169.4-121.0 100.2 -20.2 110.7 21.1 80 95 A V E -FH 65 92B 0 -15,-1.3 -15,-2.2 -2,-0.6 2,-0.4 -0.733 9.2-165.2 -95.3 143.0 -17.1 111.9 23.0 81 96 A Q E -FH 64 91B 65 10,-3.1 10,-1.4 -2,-0.3 2,-0.7 -0.882 6.6-179.0-132.7 101.0 -16.9 111.6 26.8 82 97 A V E +F 63 0B 0 -19,-1.0 -19,-3.9 -2,-0.4 2,-0.2 -0.883 22.6 160.2-101.2 108.7 -14.1 113.6 28.5 83 98 A N - 0 0 50 -2,-0.7 2,-0.5 -21,-0.3 -22,-0.1 -0.627 43.8 -80.2-122.5-179.0 -14.2 112.9 32.2 84 99 A H + 0 0 146 -2,-0.2 2,-0.3 2,-0.0 -22,-0.1 -0.717 57.1 149.8 -87.9 125.5 -12.1 113.1 35.4 85 100 A E - 0 0 93 -2,-0.5 2,-1.2 3,-0.1 5,-0.0 -0.908 56.0 -97.2-145.6 172.1 -9.5 110.3 35.9 86 101 A K S S- 0 0 206 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.556 97.1 -48.7 -95.3 68.8 -6.1 109.6 37.4 87 102 A N S S+ 0 0 165 -2,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.787 104.7 132.9 74.1 30.1 -4.0 110.0 34.3 88 103 A Q - 0 0 146 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 -0.873 55.0 -96.9-116.1 150.4 -6.2 107.8 32.1 89 104 A N - 0 0 145 -2,-0.3 2,-0.3 1,-0.1 -6,-0.2 0.335 32.6-104.5 -52.8-179.7 -7.6 108.4 28.6 90 105 A V - 0 0 33 -8,-0.1 2,-0.3 -5,-0.0 -8,-0.2 -0.872 28.5-129.6-112.7 143.6 -10.9 109.7 27.3 91 106 A H E +H 81 0B 112 -10,-1.4 -10,-3.1 -2,-0.3 2,-0.3 -0.700 33.8 152.3 -98.6 147.7 -13.7 107.5 25.7 92 107 A M E -H 80 0B 59 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.949 20.6-162.6-169.1 148.4 -15.5 108.1 22.4 93 108 A E E -H 79 0B 69 -14,-1.5 -14,-2.7 -2,-0.3 2,-0.3 -0.974 10.7-164.0-136.2 150.0 -17.3 106.3 19.6 94 109 A S E -H 78 0B 60 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.902 7.5-160.1-134.7 162.2 -18.2 107.3 16.1 95 110 A E E -H 77 0B 57 -18,-1.4 -18,-2.7 -2,-0.3 2,-0.5 -0.979 14.0-140.3-146.6 130.2 -20.5 106.3 13.2 96 111 A V E -H 76 0B 81 -2,-0.3 2,-0.5 -20,-0.3 -20,-0.3 -0.781 14.1-159.0 -94.3 128.0 -20.2 107.1 9.5 97 112 A Y E -H 75 0B 28 -22,-3.2 -22,-0.5 -2,-0.5 2,-0.2 -0.911 22.4-118.7-109.2 128.6 -23.5 107.8 7.6 98 113 A D - 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0 0 10 -2,-0.3 4,-2.5 -185,-0.2 5,-0.3 -0.158 62.1-108.6 130.7 134.4 -27.9 164.9 44.5 848 863 A T H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.750 116.4 49.6 -61.0 -28.0 -24.8 163.6 42.9 849 864 A L H > S+ 0 0 0 -186,-0.9 4,-2.1 2,-0.2 7,-0.2 0.938 113.8 42.9 -77.5 -47.9 -26.3 160.3 41.9 850 865 A Y H 4 S+ 0 0 20 -187,-1.7 7,-0.5 2,-0.2 -2,-0.2 0.913 123.5 40.4 -61.3 -42.6 -29.5 161.7 40.3 851 866 A K H < S+ 0 0 102 -4,-2.5 -2,-0.2 -188,-0.4 -3,-0.2 0.951 123.2 34.5 -72.5 -53.9 -27.3 164.4 38.6 852 867 A L H < S+ 0 0 76 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.796 94.4 97.9 -76.1 -31.0 -24.3 162.4 37.6 853 868 A H < - 0 0 8 -4,-2.1 4,-0.4 -5,-0.3 -80,-0.1 -0.416 66.5-141.6 -69.3 132.8 -25.9 159.1 36.7 854 869 A P S S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.812 94.1 12.9 -57.6 -39.3 -26.7 158.3 33.0 855 870 A H S > S+ 0 0 24 2,-0.1 4,-2.2 3,-0.1 5,-0.4 0.528 98.4 91.6-122.7 -6.6 -30.0 156.5 33.6 856 871 A F H > S+ 0 0 0 -7,-0.2 4,-2.7 1,-0.2 5,-0.2 0.967 91.4 43.5 -55.0 -63.2 -31.2 157.1 37.2 857 872 A S H > S+ 0 0 32 -7,-0.5 4,-2.5 -4,-0.4 -1,-0.2 0.841 115.5 51.0 -52.0 -39.1 -33.3 160.2 36.7 858 873 A R H > S+ 0 0 113 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.976 113.2 40.7 -64.6 -59.4 -34.9 158.7 33.5 859 874 A I H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.870 114.2 57.1 -57.0 -37.3 -35.9 155.3 34.8 860 875 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.4 -1,-0.2 0.965 110.1 43.0 -57.9 -53.1 -37.0 157.2 38.0 861 876 A H H X S+ 0 0 58 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.944 110.4 54.0 -59.5 -52.0 -39.3 159.4 35.9 862 877 A Q H X S+ 0 0 94 -4,-3.0 4,-1.7 1,-0.2 3,-0.3 0.930 110.9 50.2 -48.0 -46.6 -40.7 156.6 33.8 863 878 A T H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.883 103.9 53.2 -62.5 -44.9 -41.6 154.8 37.0 864 879 A V H X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.857 108.8 55.4 -60.9 -30.2 -43.4 157.6 38.8 865 880 A K H < S+ 0 0 159 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.949 107.7 45.8 -64.9 -52.1 -45.5 157.9 35.6 866 881 A E H < S+ 0 0 95 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 119.0 40.0 -59.2 -46.0 -46.6 154.2 35.6 867 882 A L H < S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.666 124.8 35.9 -81.6 -19.2 -47.5 154.1 39.3 868 883 A S >< + 0 0 0 -4,-1.4 3,-0.7 -5,-0.3 -1,-0.2 -0.639 61.7 153.2-136.8 79.3 -49.1 157.5 39.5 869 884 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.641 70.4 66.4 -81.0 -16.3 -51.0 158.3 36.3 870 885 A K T 3 S+ 0 0 90 -32,-0.1 -31,-1.9 -34,-0.0 2,-0.4 0.452 98.3 71.5 -82.3 1.5 -53.5 160.7 37.9 871 886 A C E < -q 839 0E 10 -3,-0.7 2,-0.8 -33,-0.2 -31,-0.2 -0.959 64.5-158.6-123.1 136.1 -50.5 162.9 38.5 872 887 A N E -q 840 0E 76 -33,-4.4 -31,-1.4 -2,-0.4 2,-0.4 -0.830 28.0-178.1-110.9 88.3 -48.5 164.9 36.1 873 888 A V E -q 841 0E 25 -2,-0.8 2,-0.4 -5,-0.2 -31,-0.2 -0.721 12.4-160.0 -96.1 138.9 -45.2 165.4 37.9 874 889 A S E -q 842 0E 48 -33,-2.3 -31,-4.4 -2,-0.4 2,-0.5 -0.957 7.1-147.1-119.4 134.6 -42.2 167.4 36.6 875 890 A F E -q 843 0E 32 -2,-0.4 2,-0.5 -33,-0.2 -31,-0.2 -0.883 15.7-178.5-106.2 123.0 -38.7 167.0 37.9 876 891 A L E -q 844 0E 76 -33,-3.0 -31,-2.5 -2,-0.5 2,-0.6 -0.972 30.4-124.8-121.6 127.5 -36.3 170.0 37.9 877 892 A L E -q 845 0E 74 -2,-0.5 2,-0.5 -33,-0.2 -31,-0.2 -0.577 35.0-175.1 -69.1 115.0 -32.7 169.9 39.1 878 893 A S - 0 0 12 -33,-3.0 3,-0.3 -2,-0.6 2,-0.2 -0.972 5.0-163.3-116.9 122.4 -32.6 172.5 41.8 879 894 A E + 0 0 88 -2,-0.5 -33,-0.1 1,-0.2 6,-0.0 -0.644 56.4 28.1-108.9 164.9 -29.2 173.2 43.3 880 895 A D > + 0 0 42 -2,-0.2 5,-1.6 1,-0.1 3,-0.4 0.901 57.2 156.4 58.2 48.6 -27.9 174.9 46.4 881 896 A G T 5S+ 0 0 2 -3,-0.3 5,-0.3 1,-0.2 -1,-0.1 0.670 71.3 60.7 -74.3 -13.7 -30.9 174.2 48.6 882 897 A S T 5S+ 0 0 21 3,-0.2 -296,-0.2 -237,-0.1 -1,-0.2 0.765 121.0 17.2 -83.4 -28.8 -28.5 174.6 51.5 883 898 A G T >5S+ 0 0 0 -3,-0.4 4,-2.1 3,-0.1 5,-0.2 0.748 135.7 31.7-103.5 -80.7 -27.5 178.2 50.8 884 899 A K H >5S+ 0 0 48 -4,-0.4 4,-2.3 1,-0.2 -3,-0.2 0.861 124.0 51.4 -45.7 -42.5 -30.0 179.8 48.4 885 900 A G H > S+ 0 0 0 -5,-0.3 4,-1.5 -3,-0.2 -1,-0.2 0.852 112.1 49.9 -58.6 -34.4 -32.0 178.5 53.5 887 902 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.918 109.1 50.1 -70.4 -44.3 -32.1 182.2 52.5 888 903 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.855 109.3 52.1 -63.1 -33.5 -35.4 181.8 50.8 889 904 A I H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.882 111.2 48.5 -69.2 -35.6 -36.8 180.1 53.8 890 905 A T H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.893 109.4 50.9 -68.3 -44.5 -35.6 183.1 55.9 891 906 A A H X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.901 113.7 44.6 -60.9 -43.2 -37.1 185.6 53.5 892 907 A V H X S+ 0 0 7 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.827 111.5 58.6 -69.4 -31.0 -40.5 183.8 53.7 893 908 A G H >X S+ 0 0 11 -4,-1.4 4,-0.8 2,-0.2 3,-0.6 0.966 108.7 38.6 -63.1 -57.4 -39.9 183.6 57.4 894 909 A V H >< S+ 0 0 36 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.887 112.5 60.8 -61.3 -38.0 -39.6 187.3 58.2 895 910 A R H >X S+ 0 0 83 -4,-1.8 3,-0.6 -5,-0.3 4,-0.6 0.821 104.6 48.9 -59.1 -32.5 -42.4 188.0 55.7 896 911 A L H << S+ 0 0 51 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.643 94.6 68.3 -86.3 -14.7 -44.8 185.9 57.6 897 912 A R T << S+ 0 0 149 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.394 99.8 57.4 -82.5 6.9 -44.2 187.4 61.1 898 913 A T T <4 0 0 117 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.770 360.0 360.0 -99.7 -40.4 -45.8 190.4 59.5 899 914 A E < 0 0 158 -4,-0.6 -2,-0.2 0, 0.0 -3,-0.1 0.764 360.0 360.0 -64.8 360.0 -49.1 188.7 58.6