==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 19-JUN-07 2V3N . COMPND 2 MOLECULE: TRANSCOBALAMIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.WUERGES,S.GEREMIA,L.RANDACCIO . 405 2 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.7 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 . 2 0.5 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 0 0 2 0 1 2 2 1 0 0 0 3 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 1 2 0 1 0 0 1 1 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 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 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 N > 0 0 94 0, 0.0 3,-1.2 0, 0.0 230,-0.1 0.000 360.0 360.0 360.0 134.5 -8.8 44.7 36.0 2 2 A I T 3 + 0 0 91 1,-0.3 4,-0.1 3,-0.0 229,-0.1 0.690 360.0 57.4 -74.3 -20.5 -7.6 41.1 36.9 3 3 A a T 3 S+ 0 0 3 227,-0.2 2,-0.3 228,-0.1 -1,-0.3 0.338 87.7 102.6 -92.2 5.3 -5.0 41.0 34.1 4 4 A E S < S- 0 0 56 -3,-1.2 2,-1.2 226,-0.1 3,-0.2 -0.697 80.7-117.6 -93.8 141.1 -3.2 44.1 35.3 5 5 A I + 0 0 10 267,-0.6 270,-0.1 -2,-0.3 3,-0.1 -0.673 43.1 168.2 -72.2 100.5 0.1 44.1 37.3 6 6 A T + 0 0 109 -2,-1.2 2,-0.5 1,-0.2 -1,-0.2 0.856 59.7 45.8 -85.3 -39.0 -1.4 45.7 40.4 7 7 A E + 0 0 148 -3,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.917 63.4 153.6-115.0 127.1 1.6 45.1 42.7 8 8 A V - 0 0 43 -2,-0.5 2,-0.5 -3,-0.1 3,-0.0 -0.980 45.2-111.9-148.7 143.5 5.3 45.7 41.8 9 9 A D >> - 0 0 78 -2,-0.3 4,-1.9 1,-0.2 3,-0.9 -0.596 23.2-146.0 -71.7 120.8 8.4 46.4 43.8 10 10 A S H 3> S+ 0 0 92 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.807 97.8 55.9 -60.1 -31.4 9.5 50.0 42.9 11 11 A T H 3> S+ 0 0 81 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.761 105.7 51.8 -74.8 -25.4 13.2 49.1 43.2 12 12 A L H <> S+ 0 0 9 -3,-0.9 4,-2.2 2,-0.2 3,-0.4 0.947 111.5 45.9 -68.8 -51.8 12.8 46.3 40.6 13 13 A V H X S+ 0 0 10 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.896 111.9 53.0 -56.2 -41.6 11.1 48.7 38.2 14 14 A E H X S+ 0 0 90 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.793 107.9 50.2 -67.8 -30.9 13.9 51.3 38.9 15 15 A R H X S+ 0 0 97 -4,-1.1 4,-0.9 -3,-0.4 -1,-0.2 0.880 111.4 48.6 -70.7 -42.8 16.6 48.7 38.1 16 16 A L H >X S+ 0 0 8 -4,-2.2 3,-1.3 2,-0.2 4,-0.8 0.956 112.9 46.5 -60.8 -52.1 15.0 47.8 34.9 17 17 A G H >X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.3 3,-0.7 0.831 104.6 64.2 -59.2 -34.4 14.6 51.5 33.9 18 18 A Q H 3< S+ 0 0 34 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.800 96.2 57.0 -57.5 -33.3 18.2 51.9 35.0 19 19 A R H << S+ 0 0 57 -3,-1.3 4,-0.3 -4,-0.9 -1,-0.2 0.789 107.0 47.9 -72.6 -28.3 19.2 49.6 32.1 20 20 A L H XX S+ 0 0 0 -4,-0.8 3,-1.6 -3,-0.7 4,-0.6 0.800 92.4 80.5 -78.7 -33.2 17.5 51.8 29.5 21 21 A L G >< S+ 0 0 17 -4,-1.6 3,-1.4 1,-0.3 4,-0.2 0.834 86.6 54.1 -43.9 -49.2 19.1 55.1 30.8 22 22 A P G >4 S+ 0 0 57 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.824 100.4 63.5 -60.2 -25.9 22.5 54.6 29.1 23 23 A W G X4 S+ 0 0 79 -3,-1.6 3,-1.8 1,-0.3 -2,-0.2 0.734 85.0 74.0 -70.5 -19.2 20.8 54.2 25.8 24 24 A M G << S+ 0 0 3 -3,-1.4 -1,-0.3 -4,-0.6 -3,-0.1 0.580 96.8 49.7 -71.1 -10.0 19.4 57.8 26.0 25 25 A D G < S+ 0 0 100 -3,-1.4 2,-1.0 -4,-0.2 -1,-0.3 0.298 88.7 91.0-103.5 3.7 22.9 59.0 25.2 26 26 A R < + 0 0 96 -3,-1.8 -1,-0.1 1,-0.1 -3,-0.0 -0.745 45.5 153.6-106.1 87.2 23.2 56.7 22.2 27 27 A L + 0 0 65 -2,-1.0 -1,-0.1 4,-0.1 2,-0.1 0.240 22.7 121.3-107.2 8.5 21.9 58.8 19.4 28 28 A S S >> S- 0 0 59 1,-0.1 4,-2.2 33,-0.0 3,-1.1 -0.370 78.8-102.2 -68.6 156.7 23.6 57.5 16.3 29 29 A Q T 34 S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.795 121.2 45.5 -49.8 -36.4 21.4 56.2 13.5 30 30 A E T 34 S+ 0 0 150 1,-0.2 -1,-0.3 3,-0.0 324,-0.2 0.703 114.5 46.6 -86.8 -18.8 21.9 52.6 14.4 31 31 A Q T <4 S+ 0 0 76 -3,-1.1 -2,-0.2 322,-0.1 -1,-0.2 0.745 84.2 109.3 -88.6 -27.6 21.5 53.0 18.1 32 32 A L < - 0 0 8 -4,-2.2 -5,-0.1 1,-0.1 -8,-0.1 -0.276 47.4-175.7 -60.5 132.8 18.3 55.1 17.9 33 33 A N >> - 0 0 10 1,-0.1 3,-1.6 -10,-0.1 4,-1.3 -0.822 24.9-170.3-143.4 93.9 15.4 53.1 19.1 34 34 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.811 89.6 64.4 -57.7 -28.8 11.8 54.3 19.0 35 35 A S H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.827 99.5 50.8 -63.6 -33.0 10.8 51.3 21.1 36 36 A I H <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.921 109.8 50.5 -68.2 -44.4 12.8 52.5 24.1 37 37 A Y H X S+ 0 0 2 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.925 112.0 46.5 -58.3 -47.4 11.3 55.9 24.0 38 38 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.935 110.0 55.1 -62.5 -45.6 7.7 54.5 23.9 39 39 A G H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.923 111.4 43.4 -51.8 -52.8 8.6 52.1 26.7 40 40 A L H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 5,-0.4 0.908 112.0 51.8 -60.9 -47.2 9.7 54.9 29.0 41 41 A R H 3< S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.864 113.2 45.6 -62.4 -34.3 6.8 57.3 28.2 42 42 A L T 3< S+ 0 0 9 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.553 106.7 82.7 -84.7 -4.3 4.3 54.6 29.0 43 43 A S S < S- 0 0 3 -3,-1.1 -3,-0.1 -4,-0.4 227,-0.0 -0.171 89.6-113.6 -88.9-177.8 6.2 53.7 32.1 44 44 A S S S+ 0 0 45 226,-0.2 247,-3.4 246,-0.1 2,-0.3 0.275 93.8 78.4 -95.6 7.7 6.2 55.1 35.7 45 45 A L E -a 291 0A 7 -5,-0.4 2,-0.4 245,-0.3 -2,-0.3 -0.821 62.3-153.6-119.7 156.5 9.8 56.3 35.1 46 46 A Q E -a 292 0A 54 245,-2.6 247,-3.5 -2,-0.3 2,-0.7 -0.983 12.5-145.9-131.0 145.2 11.5 59.1 33.3 47 47 A A > - 0 0 0 1,-0.4 3,-0.6 -2,-0.4 4,-0.1 -0.455 59.1 -85.9-106.0 58.3 15.1 59.3 31.9 48 48 A G T > - 0 0 22 -2,-0.7 3,-0.7 1,-0.2 -1,-0.4 -0.191 66.6 -66.3 61.0-170.9 15.8 63.0 32.5 49 49 A A T 3> S+ 0 0 77 1,-0.2 4,-1.1 2,-0.1 3,-0.4 0.023 114.9 108.8 -90.2 21.2 14.6 65.3 29.8 50 50 A K H <> + 0 0 89 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.743 67.9 71.2 -50.2 -26.5 17.3 63.3 28.0 51 51 A E H <> S+ 0 0 8 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.897 89.9 50.8 -61.4 -49.4 13.9 62.1 26.6 52 52 A A H > S+ 0 0 61 -3,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.921 111.1 48.6 -61.1 -48.5 13.0 65.2 24.6 53 53 A H H X S+ 0 0 123 -4,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.870 109.8 54.5 -54.2 -40.4 16.4 65.3 22.9 54 54 A Y H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.975 110.9 43.3 -59.6 -54.9 16.0 61.6 22.1 55 55 A L H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.898 112.5 53.1 -57.1 -44.9 12.6 62.1 20.4 56 56 A H H X S+ 0 0 105 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.916 109.1 50.3 -57.3 -43.2 14.0 65.1 18.6 57 57 A S H X S+ 0 0 19 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.900 108.5 52.2 -60.1 -45.1 16.9 62.9 17.4 58 58 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.933 109.9 50.0 -54.0 -47.0 14.4 60.3 16.2 59 59 A K H X S+ 0 0 45 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.933 113.0 42.9 -61.0 -52.0 12.5 63.0 14.2 60 60 A L H X S+ 0 0 94 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.908 120.0 44.5 -60.1 -43.3 15.6 64.4 12.4 61 61 A S H X S+ 0 0 15 -4,-2.4 4,-1.8 -5,-0.2 5,-0.2 0.929 114.3 45.0 -71.6 -50.4 17.0 61.0 11.7 62 62 A Y H X S+ 0 0 6 -4,-3.2 4,-1.3 -5,-0.2 -1,-0.2 0.812 117.9 46.5 -65.9 -30.6 13.8 59.2 10.6 63 63 A Q H X S+ 0 0 47 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.969 113.7 44.4 -74.0 -54.2 12.9 62.2 8.4 64 64 A Q H < S+ 0 0 125 -4,-2.4 4,-0.2 -5,-0.3 -2,-0.2 0.785 118.5 45.4 -63.1 -27.3 16.2 62.8 6.7 65 65 A S H < S+ 0 0 2 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.877 119.9 36.9 -81.0 -40.9 16.7 59.0 6.1 66 66 A L H < S+ 0 0 9 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.1 0.595 116.6 50.1 -92.0 -13.0 13.3 58.2 4.8 67 67 A L S < S+ 0 0 25 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.1 0.253 74.3 143.0-113.1 12.0 12.6 61.4 2.8 68 68 A R - 0 0 63 -3,-0.3 4,-0.1 -4,-0.2 -3,-0.1 -0.167 60.9 -71.6 -49.6 143.3 15.8 61.6 0.7 69 69 A P - 0 0 99 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.282 51.8 -89.8 -40.9 161.2 15.5 62.9 -2.9 70 70 A A S S+ 0 0 120 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.794 113.8 6.1 -44.3 -48.6 13.9 61.0 -5.9 71 71 A S S S- 0 0 104 3,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.978 84.1-122.8-137.8 131.4 17.2 59.4 -6.9 72 72 A N > - 0 0 53 -2,-0.3 2,-1.1 -3,-0.2 3,-0.6 -0.456 39.9 -93.3 -71.9 143.7 20.4 59.6 -4.9 73 73 A K T 3 S- 0 0 203 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.426 88.3 -42.1 -65.0 93.6 23.5 61.0 -6.6 74 74 A D T 3 S+ 0 0 165 -2,-1.1 -1,-0.2 1,-0.1 -3,-0.0 0.874 119.8 79.3 54.6 57.5 25.4 57.9 -8.0 75 75 A D < - 0 0 68 -3,-0.6 -2,-0.1 3,-0.0 -1,-0.1 0.453 61.6-154.7-147.6 -40.7 25.2 55.3 -5.1 76 76 A N S S+ 0 0 158 -4,-0.3 -3,-0.0 1,-0.2 -2,-0.0 0.674 91.7 29.0 59.3 23.5 21.8 53.5 -4.9 77 77 A D + 0 0 118 3,-0.0 -1,-0.2 1,-0.0 -2,-0.0 0.229 65.4 152.7-163.8 -66.1 22.5 52.8 -1.2 78 78 A S S S+ 0 0 70 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.596 78.9 6.1 -8.9 105.1 24.7 55.3 0.8 79 79 A E S S- 0 0 123 1,-0.1 -1,-0.0 2,-0.0 2,-0.0 0.970 86.8-120.2 77.0 84.9 23.6 55.0 4.5 80 80 A A - 0 0 78 1,-0.1 -2,-0.1 0, 0.0 -1,-0.1 -0.296 35.3-144.9 -55.0 127.1 21.0 52.2 5.0 81 81 A K - 0 0 134 1,-0.2 -1,-0.1 -16,-0.1 -19,-0.1 -0.254 24.9 -71.4 -91.7 171.3 17.8 53.8 6.4 82 82 A P - 0 0 12 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.321 50.6-118.6 -60.0 149.0 15.1 52.7 8.9 83 83 A S > - 0 0 47 1,-0.1 4,-1.9 -2,-0.0 5,-0.1 -0.290 25.5-105.3 -80.7 172.2 12.7 49.9 7.9 84 84 A M H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.848 121.2 55.5 -70.9 -34.2 9.0 50.3 7.7 85 85 A G H > S+ 0 0 5 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.876 109.0 48.3 -62.0 -38.3 8.4 48.3 10.9 86 86 A Q H > S+ 0 0 46 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.865 107.4 55.4 -69.0 -37.6 10.7 50.8 12.6 87 87 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.930 105.0 53.7 -58.0 -46.3 8.7 53.6 11.0 88 88 A A H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.899 110.1 46.6 -55.0 -40.4 5.7 52.1 12.6 89 89 A L H X S+ 0 0 16 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.910 107.6 56.4 -71.6 -36.7 7.5 52.2 16.0 90 90 A Y H X S+ 0 0 4 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.926 105.5 52.0 -57.3 -44.0 8.5 55.8 15.3 91 91 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.921 107.2 51.6 -57.6 -44.6 4.8 56.7 14.8 92 92 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.917 106.3 57.2 -55.7 -41.1 4.1 55.0 18.2 93 93 A A H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 3,-0.2 0.916 102.8 52.4 -55.8 -46.7 6.9 57.3 19.5 94 94 A L H ><>S+ 0 0 6 -4,-2.1 5,-1.9 1,-0.2 3,-1.8 0.929 108.1 50.3 -56.9 -46.4 5.1 60.4 18.3 95 95 A R H ><5S+ 0 0 8 -4,-1.8 3,-2.5 1,-0.3 -1,-0.2 0.842 100.9 64.0 -61.1 -32.2 1.9 59.5 20.1 96 96 A A H 3<5S+ 0 0 5 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.638 103.9 48.0 -68.7 -13.8 3.8 58.9 23.3 97 97 A N T <<5S- 0 0 56 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.092 123.9-109.4-107.2 18.2 4.6 62.6 23.1 98 98 A b T < 5S+ 0 0 56 -3,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.835 76.0 135.2 56.7 36.8 0.9 63.3 22.5 99 99 A E < - 0 0 54 -5,-1.9 2,-0.4 -6,-0.1 -1,-0.2 -0.931 48.7-144.7-112.4 139.9 1.6 64.3 18.9 100 100 A F - 0 0 114 -2,-0.4 49,-0.1 -3,-0.1 6,-0.1 -0.844 34.7-106.9 -92.1 137.6 -0.3 63.4 15.8 101 101 A I + 0 0 16 -2,-0.4 2,-0.3 -10,-0.1 -1,-0.0 -0.357 59.7 148.5 -58.8 141.3 1.9 62.9 12.7 102 102 A G > + 0 0 48 -3,-0.0 4,-1.0 -2,-0.0 3,-0.1 -0.974 12.4 62.1-166.0 176.5 1.3 65.9 10.4 103 103 A G H > S- 0 0 57 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 -0.219 94.3 -61.8 83.2-179.3 2.7 68.2 7.8 104 104 A R H > S+ 0 0 225 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 139.8 50.6 -70.5 -37.8 3.9 67.4 4.3 105 105 A K H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 108.5 54.1 -63.8 -41.4 6.7 65.2 5.8 106 106 A G H X S+ 0 0 3 -4,-1.0 4,-2.4 2,-0.2 3,-0.2 0.946 108.0 48.3 -56.7 -53.1 4.0 63.5 7.9 107 107 A D H X S+ 0 0 99 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.888 108.7 54.2 -53.2 -45.6 1.9 62.6 4.9 108 108 A R H X S+ 0 0 124 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.867 110.8 45.7 -60.7 -39.0 4.9 61.2 3.0 109 109 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 -3,-0.2 -2,-0.2 0.898 110.8 51.5 -72.0 -43.2 5.8 58.9 5.9 110 110 A V H X S+ 0 0 9 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.930 110.6 51.4 -55.9 -45.4 2.1 57.7 6.4 111 111 A S H X S+ 0 0 48 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.914 107.4 51.9 -56.2 -46.2 2.2 57.0 2.6 112 112 A Q H X S+ 0 0 36 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.896 110.9 48.4 -60.4 -39.0 5.4 55.0 3.0 113 113 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.938 112.1 47.9 -67.0 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