==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-09 3IF5 . COMPND 2 MOLECULE: SALT-TOLERANT GLUTAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROCOCCUS LUTEUS; . AUTHOR K.YOSHIMUNE,Y.SHIRAKIHARA . 398 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 10.3 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 1 0 1 1 0 1 1 4 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 0 1 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 . 4 1 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 1 A M 0 0 219 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.4 9.9 36.1 52.9 2 2 A R - 0 0 175 1,-0.0 5,-0.0 2,-0.0 0, 0.0 -0.778 360.0 -98.7-104.0 151.2 11.1 36.5 49.3 3 3 A H > - 0 0 88 -2,-0.3 4,-0.5 1,-0.1 -1,-0.0 -0.505 26.8-148.0 -70.5 128.2 9.8 39.1 46.9 4 4 A P H > S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.756 83.6 70.7 -69.4 -25.5 7.1 37.7 44.6 5 5 A I H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.946 94.7 51.3 -60.6 -51.8 7.7 39.8 41.5 6 6 A P H > S+ 0 0 34 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.824 112.0 50.6 -57.5 -24.6 11.1 38.3 40.5 7 7 A D H X S+ 0 0 53 -4,-0.5 4,-1.9 -3,-0.3 -2,-0.2 0.864 106.8 52.2 -77.9 -36.8 9.3 35.0 40.7 8 8 A Y H X S+ 0 0 45 -4,-2.0 4,-2.1 1,-0.2 3,-0.2 0.948 110.7 49.2 -61.9 -44.6 6.5 36.2 38.5 9 9 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.896 106.8 55.4 -59.9 -40.9 9.1 37.2 36.0 10 10 A A H X S+ 0 0 40 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.867 106.7 51.6 -60.2 -37.1 10.8 33.8 36.2 11 11 A S H X S+ 0 0 72 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.929 106.9 52.0 -65.6 -46.0 7.4 32.2 35.3 12 12 A L H X>S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 5,-0.6 0.897 107.1 54.1 -56.4 -42.0 7.0 34.5 32.3 13 13 A V H X5S+ 0 0 27 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.889 113.4 42.1 -59.6 -40.2 10.5 33.4 31.2 14 14 A T H <5S+ 0 0 108 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.875 120.0 42.6 -74.7 -40.3 9.5 29.8 31.4 15 15 A E H ><5S+ 0 0 105 -4,-3.2 3,-1.6 2,-0.2 4,-0.2 0.990 123.8 33.7 -69.3 -62.7 6.0 30.2 29.8 16 16 A L H ><5S+ 0 0 13 -4,-2.6 3,-1.0 1,-0.3 -3,-0.2 0.774 114.6 61.4 -65.6 -26.8 6.9 32.6 27.0 17 17 A G T 3< - 0 0 10 236,-0.6 3,-0.5 255,-0.4 -1,-0.2 -0.431 48.3-166.3 -60.5 119.1 18.3 40.2 12.2 26 26 A Q T 3 + 0 0 116 -2,-0.3 -1,-0.2 1,-0.2 6,-0.1 0.654 65.5 89.5 -84.9 -17.1 19.7 38.7 8.9 27 27 A Y T 3 S+ 0 0 89 1,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.666 97.1 27.1 -57.8 -19.0 21.4 41.8 7.5 28 28 A I S <> S- 0 0 5 -3,-0.5 4,-2.5 1,-0.1 3,-0.4 -0.998 73.4-128.3-144.8 147.9 24.7 41.0 9.3 29 29 A P H > S+ 0 0 72 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.916 105.1 59.0 -58.6 -49.2 26.5 37.8 10.6 30 30 A V H 4 S+ 0 0 32 1,-0.2 4,-0.1 2,-0.2 126,-0.1 0.841 117.6 33.8 -52.2 -36.4 27.1 38.9 14.1 31 31 A L H 4 S+ 0 0 14 -3,-0.4 3,-0.3 2,-0.1 -1,-0.2 0.822 119.0 52.3 -87.7 -34.9 23.4 39.4 14.6 32 32 A A H < S+ 0 0 25 -4,-2.5 -8,-0.2 1,-0.2 -2,-0.2 0.895 114.6 40.0 -68.2 -42.9 22.3 36.6 12.4 33 33 A E S < S+ 0 0 165 -4,-3.6 -1,-0.2 -5,-0.2 -3,-0.1 0.441 86.6 128.8 -87.7 -0.3 24.4 33.9 14.1 34 34 A A S S- 0 0 25 -5,-0.3 -10,-0.1 -3,-0.3 -3,-0.1 -0.184 76.8 -92.1 -54.7 147.4 23.8 35.2 17.6 35 35 A D - 0 0 86 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 -0.512 37.3-165.0 -66.4 116.1 22.6 32.6 20.0 36 36 A P S S+ 0 0 35 0, 0.0 2,-1.5 0, 0.0 245,-0.3 0.651 70.9 85.6 -76.6 -17.5 18.8 32.7 19.8 37 37 A D + 0 0 117 243,-0.1 2,-0.4 242,-0.1 -2,-0.1 -0.278 67.7 103.3 -84.9 53.5 18.3 30.7 23.0 38 38 A R + 0 0 48 -2,-1.5 2,-0.3 -3,-0.2 16,-0.0 -0.993 38.0 166.3-134.2 139.1 18.5 33.7 25.3 39 39 A F + 0 0 9 -2,-0.4 16,-1.5 240,-0.1 2,-0.3 -0.800 4.3 165.8-159.9 113.4 15.7 35.5 27.1 40 40 A G E -CD 54 278B 0 238,-2.0 238,-2.7 15,-0.4 2,-0.3 -0.932 12.5-168.1-131.9 154.8 15.7 38.0 30.0 41 41 A I E -CD 53 277B 0 12,-2.2 12,-1.8 -2,-0.3 2,-0.3 -0.989 6.0-179.1-138.2 146.2 13.4 40.5 31.7 42 42 A A E -CD 52 276B 0 234,-2.4 234,-2.2 -2,-0.3 2,-0.4 -0.983 8.8-165.9-150.6 135.0 14.1 43.3 34.2 43 43 A L E -CD 51 275B 9 8,-3.4 8,-2.5 -2,-0.3 2,-0.5 -0.986 8.0-161.7-122.0 127.8 11.8 45.8 36.0 44 44 A A E -CD 50 274B 0 230,-2.7 230,-2.6 -2,-0.4 6,-0.2 -0.931 10.7-144.7-112.2 130.8 13.3 48.8 37.8 45 45 A T > - 0 0 15 4,-2.4 3,-1.4 -2,-0.5 228,-0.2 -0.502 22.6-117.8 -89.1 160.1 11.2 50.6 40.4 46 46 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 227,-0.1 0.819 114.0 58.0 -65.5 -28.1 11.3 54.4 41.0 47 47 A T T 3 S- 0 0 93 172,-0.0 -3,-0.0 1,-0.0 -2,-0.0 0.428 127.1 -93.3 -82.9 -0.8 12.5 53.8 44.5 48 48 A G S < S+ 0 0 23 -3,-1.4 2,-0.2 1,-0.3 -1,-0.0 0.545 77.3 136.8 104.8 5.9 15.6 51.8 43.4 49 49 A R - 0 0 129 2,-0.0 -4,-2.4 169,-0.0 2,-0.4 -0.547 34.7-158.8 -85.8 154.8 14.5 48.2 43.4 50 50 A L E -C 44 0B 66 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.893 8.9-177.1-139.3 106.8 15.5 45.9 40.6 51 51 A H E +C 43 0B 23 -8,-2.5 -8,-3.4 -2,-0.4 2,-0.3 -0.871 17.8 155.0-104.1 134.7 13.6 42.7 39.8 52 52 A C E -C 42 0B 45 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.906 20.8-172.0-149.6 176.4 14.7 40.4 37.1 53 53 A A E +C 41 0B 14 -12,-1.8 -12,-2.2 -2,-0.3 2,-0.1 -0.956 53.9 10.8-168.1 154.0 14.8 36.8 35.7 54 54 A G E S-C 40 0B 51 -2,-0.3 2,-1.6 -14,-0.2 -14,-0.3 -0.392 121.2 -10.9 72.8-148.9 16.4 34.8 32.9 55 55 A D S > S+ 0 0 60 -16,-1.5 3,-0.8 1,-0.2 -15,-0.4 -0.364 81.7 138.1 -84.8 56.8 19.3 36.3 30.9 56 56 A A T 3 S+ 0 0 4 -2,-1.6 146,-1.9 1,-0.2 147,-0.3 0.518 70.8 51.1 -78.6 -5.5 18.9 39.9 32.2 57 57 A D T 3 S+ 0 0 106 -3,-0.2 2,-0.4 144,-0.2 -1,-0.2 0.264 79.7 113.1-114.9 7.9 22.7 40.3 32.5 58 58 A V < - 0 0 42 -3,-0.8 143,-0.4 1,-0.0 2,-0.2 -0.695 65.7-126.9 -84.5 129.0 23.7 39.2 29.0 59 59 A E + 0 0 89 -2,-0.4 2,-0.3 141,-0.1 141,-0.2 -0.481 36.1 161.9 -77.2 145.9 25.1 42.1 26.9 60 60 A F E -G 199 0C 12 139,-2.1 139,-2.2 -2,-0.2 2,-0.1 -0.973 47.3 -85.4-157.5 150.3 23.8 42.9 23.5 61 61 A T E -G 198 0C 7 -2,-0.3 203,-0.3 137,-0.2 201,-0.3 -0.396 31.8-143.1 -63.3 134.3 24.0 45.9 21.2 62 62 A I > + 0 0 1 135,-2.7 3,-1.9 132,-0.2 134,-0.2 0.772 35.2 168.7 -69.7 -29.2 21.3 48.5 22.0 63 63 A Q G > + 0 0 8 132,-2.7 3,-2.1 1,-0.3 4,-0.2 -0.167 67.5 2.0 52.9-135.4 20.7 49.5 18.4 64 64 A S G > S+ 0 0 17 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.674 118.6 77.8 -57.2 -18.5 17.5 51.7 17.9 65 65 A A G < S+ 0 0 0 -3,-1.9 4,-0.3 1,-0.3 -1,-0.3 0.532 82.2 69.7 -70.2 -3.2 16.9 51.7 21.6 66 66 A S G <> S+ 0 0 0 -3,-2.1 4,-1.8 1,-0.2 3,-0.5 0.648 76.3 85.6 -86.1 -16.4 19.6 54.3 21.8 67 67 A K H <> S+ 0 0 0 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.832 84.3 51.0 -57.2 -41.2 17.4 56.9 20.0 68 68 A P H > S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.865 111.3 49.2 -68.9 -28.8 15.6 58.2 23.0 69 69 A F H > S+ 0 0 0 -3,-0.5 4,-2.3 -4,-0.3 -2,-0.2 0.886 111.0 45.9 -76.5 -40.0 18.8 58.8 25.0 70 70 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.850 112.7 54.3 -70.1 -30.7 20.7 60.6 22.3 71 71 A Y H X S+ 0 0 1 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.892 107.4 49.2 -67.7 -41.0 17.6 62.7 21.7 72 72 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.945 111.6 49.6 -63.2 -46.2 17.5 63.6 25.4 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.898 109.7 51.0 -59.3 -42.6 21.2 64.6 25.2 74 74 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.5 0.905 108.8 51.1 -62.8 -42.1 20.6 66.8 22.1 75 75 A L H X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.892 112.7 47.2 -61.8 -40.3 17.7 68.6 23.9 76 76 A V H < S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.892 117.2 41.3 -68.6 -41.9 19.9 69.3 26.9 77 77 A D H < S+ 0 0 55 -4,-2.6 -2,-0.2 47,-0.2 -1,-0.2 0.727 130.3 22.1 -80.8 -22.4 22.9 70.5 24.8 78 78 A R H < S- 0 0 67 -4,-2.2 4,-0.4 -5,-0.2 -3,-0.2 0.633 100.7-117.9-120.8 -20.4 21.0 72.6 22.2 79 79 A G X - 0 0 31 -4,-1.7 4,-1.6 -5,-0.5 5,-0.2 0.025 35.0 -79.4 94.8 154.4 17.6 73.6 23.6 80 80 A F H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.903 124.6 54.2 -57.8 -44.5 14.2 72.7 22.3 81 81 A A H > S+ 0 0 61 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.905 108.6 47.1 -59.4 -45.1 14.1 75.3 19.5 82 82 A A H 4 S+ 0 0 17 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.864 117.7 42.3 -66.4 -36.3 17.4 74.2 17.9 83 83 A V H >X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 3,-1.3 0.889 110.1 56.4 -76.8 -41.0 16.4 70.5 17.9 84 84 A D H 3< S+ 0 0 39 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.710 98.5 62.2 -65.8 -19.6 12.8 71.1 16.9 85 85 A R T 3< S+ 0 0 164 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.759 117.1 30.2 -75.1 -22.6 14.0 72.9 13.7 86 86 A Q T <4 S+ 0 0 39 -3,-1.3 2,-0.4 -4,-0.4 -2,-0.2 0.594 122.2 46.2-110.1 -17.2 15.7 69.7 12.6 87 87 A V < - 0 0 0 -4,-1.9 -1,-0.2 20,-0.2 22,-0.2 -0.978 69.2-155.3-135.5 123.2 13.5 67.0 14.1 88 88 A G - 0 0 4 20,-2.3 23,-0.4 -2,-0.4 21,-0.1 0.063 18.8-130.3 -81.1-166.7 9.7 66.8 14.0 89 89 A L + 0 0 80 21,-0.2 21,-0.2 2,-0.1 20,-0.1 0.085 62.6 121.6-133.7 18.2 7.1 65.2 16.3 90 90 A N - 0 0 91 19,-1.8 -2,-0.1 18,-0.1 150,-0.0 -0.751 60.5-128.6 -91.8 123.2 5.0 63.4 13.7 91 91 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 149,-0.1 -0.335 43.8 149.1 -64.3 149.8 4.7 59.6 14.1 92 92 A S - 0 0 17 148,-0.2 151,-0.1 147,-0.0 18,-0.0 -0.980 44.1 -84.3-171.9 165.8 5.5 57.6 11.0 93 93 A G - 0 0 19 -2,-0.3 150,-0.1 150,-0.2 20,-0.1 -0.148 39.6-111.7 -73.4 173.6 6.9 54.4 9.5 94 94 A E S S+ 0 0 47 2,-0.1 21,-0.2 19,-0.1 2,-0.1 0.761 88.4 104.3 -77.7 -24.0 10.5 53.7 8.9 95 95 A A S S- 0 0 91 1,-0.1 2,-0.3 18,-0.0 -2,-0.1 -0.355 76.3-124.7 -58.7 126.9 10.0 53.7 5.2 96 96 A F - 0 0 68 -2,-0.1 2,-0.5 3,-0.0 -1,-0.1 -0.579 27.1-175.3 -86.3 137.5 11.3 57.0 3.9 97 97 A N > - 0 0 96 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.968 18.9-152.1-130.4 113.9 9.4 59.5 1.9 98 98 A E T >> S+ 0 0 76 -2,-0.5 3,-3.1 1,-0.3 4,-1.4 0.846 91.7 75.8 -52.4 -36.3 11.2 62.6 0.5 99 99 A L H 3> S+ 0 0 110 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.751 84.0 67.3 -49.2 -22.8 8.0 64.5 0.7 100 100 A S H <4 S+ 0 0 21 -3,-2.4 7,-0.7 1,-0.2 -1,-0.3 0.764 104.6 41.4 -70.7 -24.6 8.5 64.7 4.4 101 101 A L H <4 S+ 0 0 0 -3,-3.1 -1,-0.2 -4,-0.3 -2,-0.2 0.698 104.7 65.5 -92.2 -25.0 11.5 66.9 3.9 102 102 A E H < S+ 0 0 99 -4,-1.4 -2,-0.2 4,-0.1 -1,-0.1 0.707 79.6 103.6 -70.2 -19.7 9.8 69.0 1.2 103 103 A A S >< S- 0 0 34 -4,-0.8 3,-1.2 1,-0.2 4,-0.1 -0.224 97.6-101.6 -58.4 155.3 7.4 70.2 3.8 104 104 A E T 3 S+ 0 0 173 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.620 122.9 66.5 -56.6 -9.8 8.1 73.8 4.9 105 105 A S T 3 S- 0 0 53 -5,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.911 83.9-159.0 -77.0 -44.9 9.6 72.1 8.0 106 106 A H < + 0 0 84 -3,-1.2 -5,-0.2 -6,-0.3 -4,-0.1 0.971 51.0 112.2 60.9 54.8 12.5 70.5 6.1 107 107 A R S S- 0 0 81 -7,-0.7 -1,-0.2 -4,-0.1 -20,-0.2 -0.989 75.1 -98.1-156.0 145.8 13.0 67.9 8.8 108 108 A P - 0 0 0 0, 0.0 -20,-2.3 0, 0.0 -18,-0.1 -0.311 47.7-105.7 -62.2 152.5 12.6 64.1 9.2 109 109 A D S S- 0 0 44 -22,-0.2 -19,-1.8 -20,-0.1 2,-0.3 0.844 81.7 -22.5 -48.8 -52.6 9.3 63.2 11.0 110 110 A N > - 0 0 0 -21,-0.2 3,-0.7 -23,-0.1 6,-0.3 -0.945 61.6 -98.0-154.9 175.8 10.6 62.3 14.4 111 111 A A T 3 S+ 0 0 1 -23,-0.4 -40,-0.1 -2,-0.3 -22,-0.1 0.427 108.2 66.1 -82.8 1.2 13.6 61.1 16.5 112 112 A M T 3 S+ 0 0 2 124,-0.1 2,-0.3 4,-0.1 -1,-0.2 0.602 87.4 75.4 -97.7 -13.2 12.7 57.4 16.6 113 113 A I S X> S- 0 0 9 -3,-0.7 4,-2.1 1,-0.1 3,-0.6 -0.676 94.8-108.7 -94.5 154.6 13.1 56.7 12.8 114 114 A N H 3> S+ 0 0 22 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.886 118.0 53.3 -48.2 -47.3 16.6 56.4 11.3 115 115 A A H 3> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 111.7 46.3 -58.2 -39.5 16.4 59.8 9.5 116 116 A G H <> S+ 0 0 0 -3,-0.6 4,-1.8 -6,-0.3 -1,-0.2 0.852 109.8 53.4 -71.4 -33.5 15.4 61.5 12.7 117 117 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.831 107.4 51.4 -70.4 -32.7 18.2 59.7 14.7 118 118 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.929 109.8 49.0 -69.2 -44.1 20.8 60.9 12.2 119 119 A A H X S+ 0 0 1 -4,-1.7 4,-0.7 -5,-0.2 -2,-0.2 0.873 112.6 50.3 -61.8 -36.3 19.6 64.5 12.5 120 120 A V H >X S+ 0 0 1 -4,-1.8 4,-1.0 2,-0.2 3,-1.0 0.932 107.0 51.9 -67.9 -46.9 19.8 64.1 16.3 121 121 A H H >< S+ 0 0 3 -4,-2.6 3,-1.0 1,-0.3 4,-0.3 0.913 104.7 57.5 -56.9 -42.1 23.3 62.7 16.3 122 122 A Q H 3< S+ 0 0 4 -4,-2.1 -1,-0.3 1,-0.2 4,-0.3 0.778 109.0 46.9 -58.9 -27.1 24.4 65.7 14.2 123 123 A L H << S+ 0 0 7 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.641 81.5 113.2 -89.3 -16.1 23.1 68.0 17.0 124 124 A L S << S+ 0 0 0 -4,-1.0 -47,-0.2 -3,-1.0 -1,-0.2 0.637 90.0 2.2 -30.7 -53.1 24.7 66.1 19.9 125 125 A V S S- 0 0 51 1,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.788 116.2 -67.3-112.7 -34.5 27.3 68.5 21.4 126 126 A G > - 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