==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-SEP-04 1VM8 . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 981 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 670 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 12.2 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 . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 55 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.1 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 5 2 0 1 3 5 3 0 1 3 1 1 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 5 2 2 4 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 . 13 8 3 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 8 2 2 0 0 0 0 0 0 2 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 2 A N > 0 0 132 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.3 50.6 6.3 35.6 2 3 A V H > + 0 0 59 1,-0.2 4,-0.8 2,-0.2 0, 0.0 0.675 360.0 52.8 -76.0 -21.2 50.1 4.0 38.6 3 4 A N H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.1 5,-0.2 0.795 97.0 65.6 -85.4 -30.9 53.4 2.2 38.0 4 5 A D H > S+ 0 0 107 1,-0.2 4,-3.5 2,-0.2 -2,-0.2 0.921 99.8 53.1 -53.9 -48.6 55.3 5.5 37.9 5 6 A L H X S+ 0 0 7 -4,-0.9 4,-4.6 2,-0.2 5,-0.5 0.904 100.6 58.6 -55.7 -49.5 54.5 6.1 41.6 6 7 A K H X S+ 0 0 55 -4,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.944 117.0 35.5 -42.5 -54.7 55.9 2.6 42.6 7 8 A Q H X S+ 0 0 54 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.880 117.0 53.0 -69.1 -41.4 59.2 3.7 41.1 8 9 A R H < S+ 0 0 91 -4,-3.5 -2,-0.2 2,-0.2 -1,-0.2 0.911 115.9 40.4 -60.6 -41.2 58.7 7.4 42.2 9 10 A L H ><>S+ 0 0 0 -4,-4.6 5,-3.7 1,-0.2 3,-0.8 0.764 113.4 54.4 -79.4 -30.0 58.1 6.2 45.8 10 11 A S H ><5S+ 0 0 84 -4,-2.1 3,-2.6 -5,-0.5 2,-0.3 0.973 102.6 57.4 -57.9 -55.4 60.8 3.6 45.5 11 12 A Q T 3<5S+ 0 0 170 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.180 115.7 37.2 -70.5 19.2 63.3 6.4 44.5 12 13 A A T < 5S- 0 0 20 -3,-0.8 -1,-0.3 -2,-0.3 -2,-0.2 0.257 111.5-113.0-144.3 4.6 62.5 8.1 47.8 13 14 A G T < 5S+ 0 0 58 -3,-2.6 -3,-0.2 -4,-0.2 -2,-0.1 0.902 85.4 115.8 59.8 41.9 62.1 5.2 50.2 14 15 A Q > < + 0 0 1 -5,-3.7 3,-2.3 192,-0.1 -4,-0.2 0.135 22.9 125.5-123.8 17.4 58.4 5.9 50.6 15 16 A E G > + 0 0 42 -6,-0.7 3,-1.9 1,-0.3 -5,-0.1 0.755 60.1 76.4 -46.9 -30.4 57.1 2.7 49.1 16 17 A H G > S+ 0 0 64 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.554 72.5 79.5 -63.1 -11.8 55.1 2.1 52.3 17 18 A L G < S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.2 3,-0.2 0.625 95.6 48.0 -70.9 -13.5 52.5 4.7 51.3 18 19 A L G X S+ 0 0 41 -3,-1.9 3,-2.4 -4,-0.2 4,-0.4 0.282 78.5 120.1-102.7 5.9 51.0 1.9 49.1 19 20 A Q T < S+ 0 0 89 -3,-1.0 3,-0.2 1,-0.3 -2,-0.1 0.761 83.4 31.7 -28.2 -47.9 51.2 -0.4 52.1 20 21 A F T >> S+ 0 0 4 192,-0.4 3,-2.9 -3,-0.2 4,-0.7 0.375 84.2 117.3-103.0 4.4 47.4 -1.0 52.0 21 22 A W G X4 S+ 0 0 53 -3,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.822 72.1 53.6 -43.5 -49.8 46.9 -0.7 48.2 22 23 A N G 34 S+ 0 0 162 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.619 107.9 52.7 -66.8 -11.4 45.7 -4.3 47.6 23 24 A E G <4 S+ 0 0 118 -3,-2.9 -1,-0.3 189,-0.1 2,-0.2 0.560 89.4 103.7 -94.6 -13.2 43.0 -3.9 50.3 24 25 A L S << S- 0 0 15 -3,-1.5 5,-0.1 -4,-0.7 2,-0.1 -0.476 76.3-114.7 -85.9 140.9 41.4 -0.7 49.0 25 26 A S >> - 0 0 76 -2,-0.2 4,-1.2 1,-0.1 3,-0.6 -0.419 38.6-118.5 -45.7 139.7 38.2 -0.1 47.2 26 27 A E H 3> S+ 0 0 158 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.578 118.4 61.8 -75.4 -2.1 39.4 1.2 43.9 27 28 A A H 3> S+ 0 0 72 2,-0.2 4,-1.9 1,-0.1 -1,-0.3 0.818 104.8 47.5 -75.4 -39.4 37.5 4.4 44.8 28 29 A Q H <> S+ 0 0 74 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.710 109.8 55.1 -68.0 -23.5 39.9 4.6 47.7 29 30 A Q H X S+ 0 0 38 -4,-1.2 4,-3.0 2,-0.2 5,-0.3 0.916 105.5 48.7 -75.5 -46.6 42.7 3.9 45.3 30 31 A X H X S+ 0 0 55 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.956 112.0 53.5 -51.7 -48.9 41.8 6.8 43.0 31 32 A E H X S+ 0 0 114 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.880 113.6 38.4 -54.6 -50.8 41.7 8.9 46.2 32 33 A L H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.936 114.3 54.0 -71.4 -46.4 45.2 8.0 47.4 33 34 A Y H X S+ 0 0 61 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.861 110.0 49.7 -53.5 -38.2 46.8 8.0 44.0 34 35 A X H X S+ 0 0 142 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.951 111.6 47.0 -66.5 -51.2 45.4 11.5 43.6 35 36 A E H < S+ 0 0 51 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.954 118.6 42.0 -52.5 -50.9 46.8 12.7 46.9 36 37 A L H >< S+ 0 0 0 -4,-3.2 3,-1.4 1,-0.2 -2,-0.2 0.828 105.3 60.1 -71.3 -37.5 50.2 11.1 46.1 37 38 A Q H 3< S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 101.4 55.6 -62.5 -34.1 50.7 12.0 42.4 38 39 A A T 3< S+ 0 0 95 -4,-1.2 -1,-0.3 -3,-0.3 2,-0.3 0.352 91.2 96.0 -83.2 6.2 50.6 15.8 43.1 39 40 A X S < S- 0 0 21 -3,-1.4 2,-0.8 -4,-0.1 -3,-0.0 -0.664 70.4-133.1-100.3 153.4 53.4 15.7 45.7 40 41 A N > - 0 0 87 -2,-0.3 4,-1.4 2,-0.0 3,-0.3 -0.757 25.2-173.4-105.6 84.5 57.1 16.4 45.3 41 42 A F T 4 S+ 0 0 8 -2,-0.8 2,-1.1 2,-0.2 -32,-0.0 -0.357 75.1 43.7 -62.9 159.0 58.9 13.6 47.0 42 43 A E T > S+ 0 0 60 -30,-0.1 4,-3.1 1,-0.1 -1,-0.2 -0.502 111.8 59.4 90.0 -58.4 62.7 14.3 47.0 43 44 A E H > S+ 0 0 54 -2,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.900 104.9 49.4 -61.2 -39.5 61.7 17.8 48.0 44 45 A L H X S+ 0 0 13 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.833 114.0 43.4 -74.2 -32.9 60.0 16.4 51.1 45 46 A N H > S+ 0 0 38 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.957 112.8 53.6 -68.3 -53.9 63.0 14.3 52.1 46 47 A S H X S+ 0 0 26 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.826 110.2 47.9 -45.1 -41.4 65.3 17.2 51.3 47 48 A F H X S+ 0 0 29 -4,-2.1 4,-2.2 2,-0.2 303,-0.3 0.936 112.3 48.9 -65.0 -46.9 63.2 19.4 53.6 48 49 A F H X S+ 0 0 28 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.847 112.2 49.1 -66.1 -35.6 63.3 16.7 56.2 49 50 A R H >X S+ 0 0 158 -4,-3.2 4,-2.5 2,-0.2 3,-0.8 0.976 116.0 40.8 -57.2 -60.6 67.1 16.4 55.8 50 51 A K H 3< S+ 0 0 119 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.693 115.1 51.9 -70.6 -21.9 67.8 20.1 56.1 51 52 A A H 3X S+ 0 0 1 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.3 0.660 113.6 44.1 -84.8 -19.7 65.2 20.5 58.9 52 53 A I H >S+ 0 0 98 -3,-0.3 4,-1.8 -5,-0.1 5,-0.5 0.510 103.5 61.0-142.2 -50.2 69.3 21.7 62.7 55 56 A F H <5S+ 0 0 56 -4,-1.4 2,-0.4 1,-0.3 -2,-0.1 0.675 121.1 45.2 -52.0 -16.7 66.8 20.2 65.2 56 57 A D T <5S+ 0 0 94 -4,-0.9 -1,-0.3 -5,-0.1 0, 0.0 -0.959 110.6 42.7-121.9 116.0 70.2 18.5 65.5 57 58 A R T 45S+ 0 0 54 -2,-0.4 3,-0.4 -3,-0.1 -2,-0.1 -0.366 112.1 51.5 144.4 -56.3 73.0 21.1 65.5 58 59 A S T ><5S+ 0 0 65 -4,-1.8 3,-1.2 1,-0.2 -3,-0.1 0.645 95.0 79.0 -73.0 -22.3 71.5 23.7 67.7 59 60 A S T 3 - 0 0 90 1,-0.1 3,-1.8 -3,-0.0 4,-0.4 -0.344 34.2-106.0 -65.1 155.6 70.2 27.8 74.7 64 65 A V G > S+ 0 0 26 1,-0.3 3,-1.3 241,-0.2 -1,-0.1 0.775 114.4 70.7 -57.6 -26.1 68.3 30.7 73.1 65 66 A D G 3 S+ 0 0 36 1,-0.3 3,-0.5 240,-0.2 -1,-0.3 0.713 96.3 50.4 -65.2 -24.1 68.3 32.6 76.5 66 67 A A G < S+ 0 0 73 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.520 109.5 50.6 -91.8 -7.8 72.0 33.3 76.3 67 68 A R S < S+ 0 0 56 -3,-1.3 228,-1.7 -4,-0.4 2,-0.5 0.029 87.4 107.7-116.9 22.8 71.9 34.7 72.8 68 69 A X E +A 294 0A 5 -3,-0.5 226,-0.2 226,-0.2 254,-0.0 -0.908 35.6 168.3-114.2 130.4 69.1 37.2 73.2 69 70 A E E -A 293 0A 61 224,-2.1 224,-2.0 -2,-0.5 -2,-0.0 -0.927 35.6-103.0-131.6 157.4 69.4 40.9 73.4 70 71 A P - 0 0 45 0, 0.0 223,-0.1 0, 0.0 222,-0.1 -0.020 44.7 -81.9 -72.4-179.2 66.6 43.5 73.2 71 72 A V - 0 0 21 220,-0.3 2,-0.2 221,-0.1 5,-0.1 -0.664 55.8-112.0 -74.4 137.9 65.6 45.7 70.4 72 73 A P >> - 0 0 43 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.537 17.5-122.6 -77.6 142.8 67.9 48.6 70.4 73 74 A R G >4 S+ 0 0 227 1,-0.3 3,-0.9 -2,-0.2 -2,-0.0 0.772 108.2 68.9 -51.3 -29.6 66.3 51.9 71.3 74 75 A Q G 34 S+ 0 0 105 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.717 103.1 44.0 -62.9 -20.8 67.4 53.4 67.9 75 76 A V G <4 S+ 0 0 27 -3,-2.2 318,-2.2 317,-0.1 2,-0.5 0.549 93.6 94.5-101.8 -12.5 65.0 51.1 66.0 76 77 A L E << -b 393 0A 63 -3,-0.9 2,-0.3 -4,-0.5 318,-0.2 -0.729 47.3-171.4-102.7 124.8 61.8 51.4 68.1 77 78 A G E -b 394 0A 2 316,-3.2 318,-4.2 -2,-0.5 2,-0.3 -0.773 9.5-158.4-107.2 159.7 58.9 53.8 67.5 78 79 A S E > -b 395 0A 10 -2,-0.3 4,-1.1 316,-0.2 318,-0.2 -0.970 26.7-150.1-148.7 124.8 56.0 54.4 70.0 79 80 A A T 4 S+ 0 0 23 316,-2.5 317,-0.1 -2,-0.3 -1,-0.1 0.822 106.4 41.2 -59.0 -32.8 52.4 55.7 69.8 80 81 A T T 4 S+ 0 0 15 315,-0.2 -1,-0.2 1,-0.1 732,-0.1 0.976 118.0 39.8 -77.0 -60.5 52.8 56.9 73.4 81 82 A R T 4 S+ 0 0 53 730,-0.1 2,-0.4 1,-0.1 -2,-0.2 0.326 110.4 61.4 -80.2 7.4 56.4 58.4 73.5 82 83 A D < + 0 0 48 -4,-1.1 4,-0.1 1,-0.1 -1,-0.1 -0.980 64.1 169.0-136.3 122.5 56.3 60.1 70.0 83 84 A Q > + 0 0 112 -2,-0.4 3,-5.1 2,-0.1 4,-0.4 0.807 62.9 23.7-107.3 -98.6 53.7 62.8 69.4 84 85 A E T 3> S+ 0 0 90 1,-0.3 4,-1.2 2,-0.2 3,-0.1 0.648 112.1 76.5 -56.6 -12.1 53.3 65.4 66.6 85 86 A Q H 3> S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.803 86.2 61.9 -50.7 -36.6 55.3 62.7 64.8 86 87 A L H <> S+ 0 0 30 -3,-5.1 4,-2.6 2,-0.2 -2,-0.2 0.837 101.6 45.9 -69.2 -41.3 52.0 60.8 64.7 87 88 A Q H > S+ 0 0 67 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.826 115.1 51.7 -65.8 -33.1 50.0 63.3 62.6 88 89 A A H X S+ 0 0 45 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.914 112.0 43.1 -71.4 -43.7 53.1 63.4 60.4 89 90 A W H >X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 3,-0.5 0.972 111.4 56.9 -67.8 -50.7 53.3 59.6 60.0 90 91 A E H 3X S+ 0 0 62 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.908 106.1 47.7 -37.6 -60.9 49.5 59.4 59.5 91 92 A S H 3X S+ 0 0 45 -4,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.814 111.0 51.3 -65.3 -30.3 49.4 61.9 56.5 92 93 A E H S+ 0 0 26 -4,-2.2 5,-2.8 2,-0.2 6,-0.3 0.898 114.9 45.4 -54.0 -46.8 50.6 56.3 50.0 97 98 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 5,-0.3 0.930 112.5 53.3 -58.4 -46.6 47.1 54.8 50.3 98 99 A S H 3<5S+ 0 0 5 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.645 105.7 50.8 -69.1 -22.7 45.9 57.7 48.2 99 100 A Q T 3<5S- 0 0 107 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.114 117.9-113.1 -97.5 18.0 48.4 57.1 45.4 100 101 A N T < 5S+ 0 0 60 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.776 80.2 129.2 57.8 32.5 47.3 53.4 45.4 101 102 A K < + 0 0 28 -5,-2.8 144,-3.3 -6,-0.2 143,-1.8 0.243 51.8 82.3 -99.0 14.1 50.7 52.2 46.7 102 103 A V E +c 245 0A 1 56,-0.3 2,-0.3 -6,-0.3 144,-0.2 -0.963 45.4 166.0-130.9 129.8 49.2 50.1 49.5 103 104 A A E -c 246 0A 0 142,-2.2 144,-2.2 -2,-0.4 2,-0.3 -0.879 23.9-132.4-124.4 165.0 47.8 46.6 49.8 104 105 A V E -cd 247 161A 0 56,-2.7 58,-2.4 -2,-0.3 2,-0.4 -0.854 5.9-154.8-118.7 166.9 46.9 44.4 52.7 105 106 A L E -cd 248 162A 1 142,-2.0 144,-2.5 -2,-0.3 2,-0.5 -0.921 12.3-162.3-144.9 100.5 47.7 40.8 53.3 106 107 A L E -cd 249 163A 0 56,-2.2 58,-2.9 -2,-0.4 2,-1.1 -0.791 11.6-154.3 -99.3 125.1 45.4 38.8 55.6 107 108 A L E +cd 250 164A 14 142,-2.4 144,-2.7 -2,-0.5 145,-0.3 -0.837 20.5 175.6 -90.4 89.3 46.3 35.6 57.2 108 109 A A - 0 0 1 56,-2.1 56,-0.0 -2,-1.1 141,-0.0 -0.606 21.3-148.5 -74.1 158.5 43.0 34.0 57.7 109 110 A G - 0 0 34 1,-0.4 57,-1.6 -2,-0.3 -1,-0.2 0.465 23.2 -85.4 -98.6-121.2 43.8 30.6 59.0 110 111 A G S S- 0 0 13 1,-0.4 11,-0.7 55,-0.2 -1,-0.4 -0.316 81.0 -14.6-126.5-142.7 41.7 27.5 58.4 111 112 A Q B -K 120 0B 71 9,-0.2 2,-2.6 -2,-0.2 -1,-0.4 -0.251 67.8-112.3 -66.4 148.5 38.7 26.3 60.4 112 113 A G > + 0 0 6 7,-3.2 5,-1.9 1,-0.2 4,-0.5 -0.287 62.2 148.9 -77.6 56.1 38.0 27.8 63.8 113 114 A T T > 5 + 0 0 104 -2,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.934 68.2 49.9 -59.5 -52.8 38.8 24.5 65.4 114 115 A R T 3 5S+ 0 0 176 -3,-0.4 294,-0.8 1,-0.3 -1,-0.3 0.808 110.4 54.2 -55.8 -29.0 40.2 25.9 68.6 115 116 A L T 3 5S- 0 0 15 -3,-0.4 -1,-0.3 292,-0.2 294,-0.2 0.526 119.3-110.1 -85.5 -7.7 37.0 28.0 68.8 116 117 A G T < 5S+ 0 0 64 -3,-2.0 2,-0.3 -4,-0.5 -3,-0.2 0.780 79.9 106.3 85.9 31.8 34.7 25.0 68.5 117 118 A V < - 0 0 36 -5,-1.9 -1,-0.3 2,-0.2 -2,-0.2 -0.946 69.7-131.0-141.9 160.8 33.4 25.6 65.0 118 119 A S S S+ 0 0 90 -2,-0.3 -5,-0.1 -7,-0.1 -7,-0.1 0.405 84.2 75.8 -93.2 1.7 33.7 24.3 61.5 119 120 A Y S S- 0 0 89 -7,-0.2 -7,-3.2 -8,-0.1 -2,-0.2 -0.736 87.7 -91.1-113.8 159.5 34.2 27.7 59.9 120 121 A P B > -K 111 0B 2 0, 0.0 3,-1.9 0, 0.0 -9,-0.2 -0.326 34.9-112.9 -70.8 155.0 37.2 30.1 59.7 121 122 A K G > S+ 0 0 16 -11,-0.7 3,-2.6 1,-0.3 13,-0.4 0.760 108.5 75.5 -59.7 -28.6 37.7 32.9 62.2 122 123 A G G 3 S+ 0 0 0 1,-0.3 13,-3.4 12,-0.1 14,-0.3 0.786 97.9 49.5 -52.8 -28.5 37.1 35.6 59.6 123 124 A X G < S+ 0 0 26 -3,-1.9 2,-0.6 11,-0.2 -1,-0.3 0.143 81.3 128.9 -96.8 15.0 33.4 34.7 59.9 124 125 A Y < - 0 0 37 -3,-2.6 2,-1.0 1,-0.1 10,-0.6 -0.636 46.8-155.1 -83.2 120.6 33.2 34.8 63.6 125 126 A D B -L 133 0C 53 -2,-0.6 8,-0.2 8,-0.2 -2,-0.1 -0.823 3.8-166.2 -87.3 101.4 30.4 36.9 65.1 126 127 A V - 0 0 5 -2,-1.0 295,-0.2 6,-0.6 -1,-0.1 0.511 51.4-100.3 -70.7 0.0 31.8 37.8 68.5 127 128 A G + 0 0 30 5,-0.2 -1,-0.1 1,-0.1 6,-0.1 0.838 63.0 163.7 85.9 35.1 28.2 38.9 69.3 128 129 A L > - 0 0 1 4,-0.3 3,-0.9 1,-0.1 -1,-0.1 -0.302 56.4-101.7 -65.2 164.1 28.4 42.7 68.9 129 130 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 355,-0.1 0.872 129.2 47.6 -55.7 -36.8 25.1 44.6 68.6 130 131 A S T 3 S- 0 0 36 2,-0.1 3,-0.1 1,-0.0 354,-0.0 0.586 100.8-142.6 -77.5 -12.4 25.7 44.8 64.9 131 132 A H < + 0 0 116 -3,-0.9 2,-0.2 1,-0.2 -1,-0.0 0.769 40.8 164.9 52.3 30.2 26.6 41.1 64.9 132 133 A K - 0 0 21 1,-0.1 -6,-0.6 -7,-0.1 -4,-0.3 -0.504 33.0-126.0 -76.5 145.0 29.3 41.9 62.3 133 134 A T B > -L 125 0C 15 -2,-0.2 4,-2.2 -8,-0.2 -8,-0.2 -0.223 25.8-106.1 -79.4 174.5 31.9 39.3 61.6 134 135 A L H > S+ 0 0 2 -10,-0.6 4,-2.8 -13,-0.4 5,-0.3 0.990 121.3 57.1 -66.1 -54.3 35.6 40.0 61.8 135 136 A F H > S+ 0 0 0 -13,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.826 109.2 47.3 -42.2 -42.9 35.8 40.0 58.0 136 137 A Q H > S+ 0 0 39 -14,-0.3 4,-3.0 2,-0.2 5,-0.3 0.971 109.3 50.4 -67.2 -53.9 33.2 42.7 57.9 137 138 A I H X S+ 0 0 4 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.906 116.1 44.7 -49.2 -45.9 34.8 44.9 60.6 138 139 A Q H >X S+ 0 0 1 -4,-2.8 4,-1.6 2,-0.2 3,-1.5 0.971 110.6 52.0 -64.7 -54.9 38.0 44.6 58.7 139 140 A A H >X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.3 3,-0.6 0.898 108.5 52.3 -48.3 -45.7 36.6 45.2 55.2 140 141 A E H 3X S+ 0 0 10 -4,-3.0 4,-1.7 1,-0.3 -1,-0.3 0.707 104.0 56.5 -70.9 -19.2 34.8 48.3 56.4 141 142 A R H X S+ 0 0 88 -4,-1.3 4,-2.1 -3,-0.3 3,-0.9 0.903 105.1 54.4 -80.1 -41.4 40.5 60.7 49.3 151 152 A K H 3< S+ 0 0 164 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.703 114.9 45.2 -61.9 -16.3 39.2 63.6 51.4 152 153 A H H 3< S+ 0 0 102 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.535 125.2 22.5-108.0 -11.6 42.8 64.4 52.2 153 154 A H H << S- 0 0 89 -3,-0.9 2,-1.0 -4,-0.6 -2,-0.2 0.450 90.8-121.6-135.8 -5.9 44.5 64.1 48.8 154 155 A G S < S+ 0 0 62 -4,-2.1 -4,-0.1 1,-0.2 -5,-0.0 -0.478 79.4 97.8 95.3 -62.8 42.0 64.6 46.0 155 156 A N S S- 0 0 55 -2,-1.0 -2,-0.2 -6,-0.1 2,-0.2 -0.283 71.5-128.6 -65.3 141.5 42.5 61.3 44.1 156 157 A K + 0 0 66 -3,-0.1 2,-0.3 -5,-0.1 -9,-0.1 -0.561 38.5 179.7 -76.8 157.3 40.1 58.4 44.8 157 158 A C - 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0 0 104 1,-0.1 3,-0.9 -2,-0.1 -1,-0.1 -0.599 21.9-134.0 -79.5 143.1 34.7 45.6 44.6 187 188 A K G > S+ 0 0 53 -2,-0.2 3,-1.1 1,-0.2 -1,-0.1 0.740 104.1 67.2 -70.7 -24.1 35.4 41.8 44.0 188 189 A E G 3 S+ 0 0 75 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.754 100.8 51.8 -61.6 -25.4 38.2 42.8 41.6 189 190 A N G < S+ 0 0 27 -3,-0.9 -28,-2.7 1,-0.1 2,-0.5 0.299 93.8 77.1-102.1 7.3 40.0 44.1 44.7 190 191 A V E < -e 161 0A 9 -3,-1.1 2,-0.6 -30,-0.2 -28,-0.2 -0.971 61.3-178.2-113.9 116.8 39.7 41.0 46.8 191 192 A V E -e 162 0A 29 -30,-1.9 -28,-2.0 -2,-0.5 2,-0.3 -0.945 6.6-163.1-119.4 110.9 42.2 38.4 45.7 192 193 A F E +e 163 0A 33 -2,-0.6 2,-0.3 -30,-0.2 -28,-0.2 -0.673 11.1 173.5 -95.8 147.8 42.1 35.0 47.5 193 194 A F E -e 164 0A 2 -30,-2.2 -28,-1.8 -2,-0.3 2,-0.3 -0.982 26.7-109.0-151.8 164.6 44.8 32.4 47.5 194 195 A Q E -e 165 0A 82 -2,-0.3 2,-0.2 -30,-0.2 -28,-0.2 -0.690 18.1-127.6-105.6 134.3 45.6 29.1 49.2 195 196 A Q - 0 0 21 -30,-2.6 -28,-0.4 -2,-0.3 30,-0.1 -0.565 31.7-130.6 -71.3 137.8 48.1 28.1 51.9 196 197 A G - 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