==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 23-JUN-00 1F6S . COMPND 2 MOLECULE: ALPHA-LACTALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR E.D.CHRYSINA,K.BREW,K.R.ACHARYA . 730 6 24 24 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 41 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.2 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 6 6 0 0 0 0 6 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 6 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 6 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 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 E 0 0 86 0, 0.0 37,-2.3 0, 0.0 2,-0.9 0.000 360.0 360.0 360.0 95.1 37.8 98.9 -3.2 2 2 A Q B -A 37 0A 156 35,-0.2 35,-0.2 36,-0.1 34,-0.1 -0.716 360.0-162.7 -85.4 105.6 35.2 100.5 -0.9 3 3 A L - 0 0 12 33,-2.6 2,-0.2 -2,-0.9 3,-0.0 -0.324 16.3-115.9 -80.6 167.5 32.6 97.8 0.1 4 4 A T > - 0 0 74 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.561 30.2-101.4 -98.9 169.0 29.2 98.6 1.5 5 5 A K H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.905 121.8 43.8 -57.3 -45.1 27.9 97.6 5.0 6 6 A a H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.762 108.2 56.9 -74.8 -25.4 25.9 94.6 3.7 7 7 A E H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.890 111.1 45.5 -69.5 -37.2 28.7 93.4 1.4 8 8 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.885 110.0 54.3 -69.1 -40.8 30.9 93.2 4.5 9 9 A F H < S+ 0 0 48 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.920 114.4 41.6 -58.6 -44.0 28.1 91.6 6.4 10 10 A R H >< S+ 0 0 178 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.938 114.7 48.5 -70.3 -48.5 27.9 88.9 3.7 11 11 A E H 3< S+ 0 0 73 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.690 106.1 57.0 -69.2 -20.0 31.6 88.4 3.2 12 12 A L T >< + 0 0 0 -4,-1.8 3,-2.5 1,-0.2 4,-0.4 0.240 69.0 119.5 -96.1 15.2 32.5 88.0 6.9 13 13 A K G X + 0 0 152 -3,-1.3 3,-2.2 1,-0.3 -1,-0.2 0.861 66.4 60.9 -44.6 -49.5 30.1 85.1 7.4 14 14 A D G 3 S+ 0 0 111 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.512 100.4 56.6 -62.3 -3.9 32.9 82.7 8.5 15 15 A L G X S+ 0 0 0 -3,-2.5 3,-2.1 2,-0.1 -1,-0.3 0.523 74.0 131.8-102.4 -8.5 33.8 85.0 11.4 16 16 A K T < S- 0 0 153 -3,-2.2 6,-0.2 -4,-0.4 3,-0.1 -0.190 88.3 -12.2 -49.2 121.2 30.3 84.9 12.9 17 17 A G T > S+ 0 0 41 4,-1.2 3,-2.7 1,-0.2 -1,-0.3 0.369 92.8 151.7 68.2 -6.1 30.6 84.2 16.6 18 18 A Y G X S+ 0 0 67 -3,-2.1 3,-2.9 3,-0.4 -1,-0.2 -0.303 78.2 2.5 -58.4 139.6 34.2 83.2 16.3 19 19 A G G 3 S- 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 82,-0.1 0.651 133.4 -68.2 57.8 11.2 36.0 83.9 19.5 20 20 A G G < S+ 0 0 66 -3,-2.7 2,-0.6 1,-0.3 -1,-0.3 0.642 100.8 138.0 83.2 14.6 32.6 85.0 20.7 21 21 A V < - 0 0 6 -3,-2.9 -4,-1.2 -6,-0.2 -3,-0.4 -0.851 47.2-136.6 -99.2 119.6 32.6 88.0 18.4 22 22 A S > - 0 0 38 -2,-0.6 4,-1.3 -6,-0.2 3,-0.2 -0.307 19.1-115.0 -72.6 156.2 29.3 88.6 16.7 23 23 A L H >> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 3,-0.8 0.919 116.3 55.8 -55.2 -48.2 28.9 89.6 13.0 24 24 A P H 3> S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 105.0 53.5 -53.0 -42.5 27.5 93.0 13.9 25 25 A E H 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.839 109.6 49.6 -61.0 -32.6 30.6 93.7 16.0 26 26 A W H X>S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-1.2 0.867 107.7 54.1 -69.2 -34.1 36.1 97.0 10.2 31 31 A F H 3X5S+ 0 0 85 -4,-1.5 4,-2.7 1,-0.3 3,-0.4 0.984 110.5 44.6 -61.2 -56.4 34.5 100.3 9.4 32 32 A H H 3<5S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.269 118.3 48.3 -72.5 15.1 36.4 102.1 12.3 33 33 A T H <45S- 0 0 32 -3,-1.2 -1,-0.2 19,-0.1 -2,-0.2 0.628 138.6 -9.8-122.5 -29.8 39.5 100.3 11.2 34 34 A S H ><5S- 0 0 21 -4,-2.3 3,-1.2 -3,-0.4 -3,-0.2 0.346 84.1-113.1-151.6 -2.1 39.6 100.9 7.4 35 35 A G T 3< -B 47 0B 109 3,-1.2 3,-0.7 -2,-0.4 2,-0.2 -0.985 63.3 -38.2-121.6 124.6 52.8 104.9 11.5 45 45 A N T 3 S- 0 0 161 -2,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.447 127.9 -12.3 65.2-126.6 56.3 104.8 12.7 46 46 A D T 3 S+ 0 0 108 -2,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.134 122.1 79.5 -99.6 36.5 58.0 101.5 11.9 47 47 A S E < -B 44 0B 12 -3,-0.7 -3,-1.2 9,-0.0 2,-0.4 -1.000 54.0-161.8-148.0 143.0 54.8 99.7 10.9 48 48 A T E -B 43 0B 2 -2,-0.3 9,-1.1 -5,-0.2 2,-0.4 -0.992 14.7-151.6-125.8 128.0 52.5 99.4 7.9 49 49 A E E -BC 42 56B 62 -7,-4.0 -7,-1.9 -2,-0.4 2,-0.4 -0.832 13.4-147.5-103.3 140.4 48.9 98.1 8.2 50 50 A Y E > -BC 41 55B 29 5,-1.4 5,-2.1 -2,-0.4 3,-0.4 -0.881 33.3 -31.4-120.1 138.2 47.1 96.3 5.4 51 51 A G T > 5S- 0 0 0 -11,-2.1 3,-1.4 -2,-0.4 -12,-0.2 0.012 96.7 -26.7 69.9-171.5 43.6 95.9 4.1 52 52 A L T 3 5S+ 0 0 0 28,-0.4 -16,-0.3 -14,-0.3 -1,-0.2 0.797 141.9 36.9 -50.2 -36.6 40.0 95.8 5.5 53 53 A F T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.464 103.6-128.3 -99.8 -2.3 41.3 94.5 8.8 54 54 A Q T < 5 - 0 0 7 -3,-1.4 2,-0.6 -4,-0.3 -3,-0.2 0.960 32.1-170.5 52.3 61.3 44.5 96.6 8.9 55 55 A I E < -C 50 0B 0 -5,-2.1 -5,-1.4 22,-0.1 -1,-0.2 -0.731 16.7-131.5 -85.1 116.9 46.9 93.6 9.6 56 56 A N E >> -C 49 0B 6 -2,-0.6 5,-1.0 -7,-0.2 4,-0.8 -0.204 6.7-137.7 -71.9 159.8 50.3 94.9 10.5 57 57 A N T 45S+ 0 0 0 -9,-1.1 6,-0.2 3,-0.2 -1,-0.1 0.022 86.2 90.3-101.5 23.4 53.6 93.7 9.1 58 58 A K T 45S- 0 0 22 11,-0.1 12,-0.9 -10,-0.1 -1,-0.2 0.869 118.1 -20.2 -85.0 -41.1 55.3 93.8 12.5 59 59 A I T 45S+ 0 0 16 -3,-0.3 13,-3.2 10,-0.2 14,-0.2 0.470 130.3 61.8-143.9 -12.2 54.4 90.2 13.3 60 60 A W T <5S+ 0 0 3 -4,-0.8 13,-2.8 11,-0.3 14,-0.3 0.928 107.4 8.9 -90.2 -48.8 51.5 89.0 11.2 61 61 A c S + 0 0 41 1,-0.1 3,-0.7 3,-0.0 -3,-0.6 -0.610 60.1 166.4-139.5 79.9 60.1 94.6 7.0 67 67 A P T 3 S+ 0 0 91 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.829 77.6 67.2 -59.0 -32.7 61.7 91.4 5.7 68 68 A H T 3 S+ 0 0 177 -3,-0.1 2,-0.2 -6,-0.0 -6,-0.0 -0.131 74.4 141.8 -83.2 39.5 62.5 90.3 9.2 69 69 A S < - 0 0 19 -3,-0.7 -10,-0.2 -2,-0.7 -11,-0.1 -0.528 60.9-130.3 -82.9 150.3 58.8 89.9 10.2 70 70 A S - 0 0 19 -12,-0.9 -11,-0.2 -2,-0.2 -1,-0.1 0.834 33.8-161.3 -64.9 -31.0 57.7 87.1 12.5 71 71 A N > + 0 0 24 -10,-0.3 3,-1.7 1,-0.1 -11,-0.3 0.908 18.0 174.5 47.7 55.6 55.0 86.5 9.8 72 72 A I T 3 S+ 0 0 15 -13,-3.2 -12,-0.2 1,-0.3 -11,-0.2 0.771 77.1 53.1 -61.3 -29.2 52.8 84.5 12.1 73 73 A d T 3 S- 0 0 15 -13,-2.8 -1,-0.3 -14,-0.2 -12,-0.1 0.500 104.5-134.4 -85.2 -2.2 50.1 84.3 9.4 74 74 A N < + 0 0 135 -3,-1.7 2,-0.3 -14,-0.3 -13,-0.1 0.946 65.0 108.0 48.6 61.1 52.7 82.9 7.0 75 75 A I S S- 0 0 36 -15,-0.3 -13,-1.8 16,-0.0 2,-0.3 -0.987 75.4-102.2-162.0 152.0 51.6 85.1 4.1 76 76 A S B > -d 62 0C 41 -2,-0.3 3,-2.0 -15,-0.2 -13,-0.2 -0.640 32.8-128.6 -79.7 135.5 52.8 88.1 2.2 77 77 A c G > S+ 0 0 0 -15,-2.1 3,-2.8 -2,-0.3 -14,-0.1 0.793 102.6 72.0 -54.2 -33.8 51.0 91.3 3.2 78 78 A D G > S+ 0 0 89 -16,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.754 83.2 72.0 -57.2 -21.9 50.1 92.2 -0.3 79 79 A K G < S+ 0 0 98 -3,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.600 88.3 64.4 -69.0 -8.4 47.6 89.3 -0.2 80 80 A F G < S+ 0 0 0 -3,-2.8 -28,-0.4 1,-0.2 -1,-0.3 0.314 91.7 63.6 -96.4 7.7 45.5 91.5 2.2 81 81 A L S < S+ 0 0 37 -3,-1.7 -1,-0.2 -30,-0.1 -2,-0.1 0.381 84.8 85.2-111.8 1.5 44.8 94.2 -0.5 82 82 A D S S- 0 0 58 -3,-0.4 -3,-0.0 2,-0.2 0, 0.0 -0.305 89.2-100.1 -95.1-175.4 42.8 92.2 -3.1 83 83 A D S S+ 0 0 102 -2,-0.1 2,-0.9 1,-0.1 -1,-0.0 0.594 95.9 89.0 -82.5 -12.8 39.1 91.4 -3.2 84 84 A D - 0 0 84 1,-0.1 3,-0.5 -5,-0.1 4,-0.4 -0.781 52.1-175.9 -91.8 108.1 39.2 87.9 -1.8 85 85 A L > + 0 0 6 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.364 57.0 99.9 -83.7 5.0 39.0 88.1 2.0 86 86 A T H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.925 88.1 37.9 -58.7 -50.0 39.5 84.4 2.5 87 87 A D H > S+ 0 0 25 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.851 114.5 56.5 -72.7 -30.5 43.2 84.6 3.5 88 88 A D H > S+ 0 0 1 -4,-0.4 4,-2.4 -9,-0.2 -2,-0.2 0.949 108.6 47.7 -61.4 -49.3 42.5 87.8 5.4 89 89 A I H X S+ 0 0 11 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.862 107.5 54.5 -61.8 -37.5 39.9 86.0 7.5 90 90 A M H X S+ 0 0 104 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.922 111.7 45.9 -63.0 -40.5 42.2 83.1 8.2 91 91 A d H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.867 107.3 57.1 -68.9 -37.6 44.8 85.5 9.5 92 92 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.908 104.2 54.2 -59.2 -39.8 42.2 87.4 11.6 93 93 A K H X S+ 0 0 60 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.877 106.4 50.3 -63.2 -38.3 41.4 84.1 13.3 94 94 A K H X S+ 0 0 83 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.892 111.0 50.5 -67.0 -36.5 45.0 83.6 14.3 95 95 A I H X>S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-1.7 0.922 111.3 47.5 -65.7 -44.3 45.0 87.1 15.6 96 96 A L H <5S+ 0 0 17 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.921 111.0 51.1 -63.2 -44.3 41.9 86.5 17.7 97 97 A D H <5S+ 0 0 102 -4,-2.5 437,-0.3 -5,-0.2 -1,-0.2 0.843 123.2 31.0 -61.8 -32.6 43.2 83.2 19.0 98 98 A K H <5S+ 0 0 46 -4,-1.6 436,-0.4 -5,-0.2 -2,-0.2 0.933 137.9 8.0 -96.2 -56.0 46.4 84.9 20.1 99 99 A V T <5S- 0 0 10 -4,-2.6 3,-0.4 -5,-0.2 -3,-0.2 0.565 98.6-137.2-104.2 -11.6 46.0 88.5 21.1 100 100 A G > < - 0 0 17 -5,-1.7 3,-1.6 1,-0.2 4,-0.2 -0.085 41.1 -47.8 83.8 174.6 42.2 88.6 21.0 101 101 A I G > S+ 0 0 27 1,-0.3 3,-1.7 -5,-0.2 6,-0.3 0.690 119.2 81.4 -57.4 -21.0 39.7 91.1 19.7 102 102 A N G 3 + 0 0 77 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.479 66.6 84.4 -69.3 1.0 41.6 94.0 21.4 103 103 A Y G < S+ 0 0 47 -3,-1.6 2,-1.2 1,-0.2 -1,-0.3 0.900 85.1 64.8 -64.2 -37.7 44.1 94.0 18.5 104 104 A W S X> S- 0 0 5 -3,-1.7 3,-2.5 -4,-0.2 4,-0.6 -0.722 75.8-164.7 -89.9 90.5 41.4 96.3 17.0 105 105 A L H 3> S+ 0 0 152 -2,-1.2 4,-1.3 1,-0.3 -1,-0.2 0.763 84.6 65.3 -45.4 -30.7 41.4 99.3 19.3 106 106 A A H 3>>S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-1.0 0.791 86.3 69.0 -68.1 -28.8 38.0 100.2 17.8 107 107 A H H <>5S+ 0 0 15 -3,-2.5 4,-2.0 -6,-0.3 -1,-0.2 0.960 106.2 36.6 -54.9 -58.2 36.1 97.2 19.1 108 108 A K H <5S+ 0 0 162 -4,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.939 120.6 48.4 -59.0 -50.8 36.3 98.2 22.8 109 109 A A H <5S- 0 0 71 -4,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.852 136.7 -3.8 -61.6 -41.6 35.9 101.9 22.1 110 110 A L H <5S+ 0 0 102 -4,-2.9 3,-0.2 -5,-0.1 -3,-0.2 0.514 122.5 61.3-133.9 -7.6 32.9 101.8 19.7 111 111 A b S < + 0 0 38 -3,-0.1 3,-1.5 2,-0.1 -1,-0.1 0.658 49.8 79.1-104.3 -20.2 25.2 96.7 17.6 116 116 A D G > S+ 0 0 133 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.826 83.7 67.3 -59.9 -30.2 21.8 96.4 15.9 117 117 A Q G 3 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.800 95.9 58.3 -59.5 -27.3 22.5 99.4 13.7 118 118 A W G < S+ 0 0 29 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.257 86.0 103.7 -88.7 12.3 25.2 97.3 12.0 119 119 A L < - 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0 0 85 -3,-1.3 -113,-0.1 -92,-0.1 -1,-0.0 -0.773 54.2-153.7-102.6 91.0 68.7 120.8 49.0 243 120 B e 0 0 38 -2,-0.9 -2,-0.1 -115,-0.2 -3,-0.0 -0.293 360.0 360.0 -61.6 147.1 68.1 121.3 45.3 244 121 B E 0 0 141 0, 0.0 -115,-0.0 0, 0.0 -1,-0.0 -0.895 360.0 360.0-156.7 360.0 68.4 124.9 44.1 245 !* 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 0.0 246 1 C E 0 0 82 0, 0.0 37,-2.0 0, 0.0 2,-0.9 0.000 360.0 360.0 360.0 123.0 44.9 52.5 24.7 247 2 C Q B -I 282 0G 142 35,-0.2 35,-0.2 36,-0.1 34,-0.1 -0.746 360.0-165.2 -86.5 103.5 41.6 53.7 23.1 248 3 C L - 0 0 6 33,-2.1 2,-0.2 -2,-0.9 3,-0.0 -0.382 13.2-121.0 -86.8 166.8 42.2 57.2 21.8 249 4 C T > - 0 0 79 -2,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.687 27.7-105.2-105.3 160.3 39.7 59.8 20.8 250 5 C K H >> S+ 0 0 64 1,-0.2 4,-1.3 -2,-0.2 3,-0.5 0.921 120.8 41.6 -47.4 -56.8 39.4 61.6 17.4 251 6 C i H 3> S+ 0 0 53 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.781 110.2 58.8 -65.2 -28.7 40.8 64.9 18.6 252 7 C E H 3> S+ 0 0 85 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.804 105.9 46.8 -73.2 -29.9 43.5 63.2 20.6 253 8 C V H < S+ 0 0 166 -4,-0.8 3,-1.2 1,-0.1 -2,-0.2 0.918 113.6 46.9 -82.2 -50.0 47.3 66.0 18.3 256 11 C E H 3< S+ 0 0 67 -4,-1.8 3,-0.3 1,-0.3 -2,-0.2 0.667 108.2 57.1 -69.4 -17.8 49.7 63.0 18.5 257 12 C L T >< + 0 0 0 -4,-1.8 3,-1.4 1,-0.2 4,-0.3 0.100 68.9 114.9-102.1 24.4 50.0 62.6 14.7 258 13 C K G X + 0 0 114 -3,-1.2 3,-3.0 1,-0.3 -1,-0.2 0.903 66.2 64.6 -59.0 -45.0 51.2 66.2 14.1 259 14 C D G 3 S+ 0 0 116 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.671 99.9 56.0 -54.3 -15.9 54.7 65.1 12.8 260 15 C L G < S+ 0 0 0 -3,-1.4 -1,-0.3 2,-0.1 3,-0.3 0.563 75.8 126.3 -91.8 -11.4 52.7 63.4 9.9 261 16 C K S < S- 0 0 156 -3,-3.0 2,-0.3 -4,-0.3 6,-0.2 -0.289 90.8 -11.4 -52.2 110.8 51.1 66.7 9.0 262 17 C G B >> S+J 266 0H 45 4,-1.9 3,-2.5 1,-0.2 4,-0.5 -0.123 93.9 140.2 90.8 -39.3 51.8 67.1 5.3 263 18 C Y G >4 S+ 0 0 76 -2,-0.3 3,-1.8 -3,-0.3 -1,-0.2 -0.016 79.5 4.3 -41.2 138.1 54.5 64.3 4.9 264 19 C G G 34 S- 0 0 61 1,-0.3 -1,-0.3 -3,-0.1 82,-0.2 0.621 131.4 -67.8 58.6 12.1 54.1 62.4 1.7 265 20 C G G <4 S+ 0 0 71 -3,-2.5 2,-0.4 1,-0.3 -1,-0.3 0.776 102.0 129.1 80.1 26.3 51.3 64.8 0.7 266 21 C V B << -J 262 0H 8 -3,-1.8 -4,-1.9 -4,-0.5 -1,-0.3 -0.933 46.0-144.0-118.2 141.2 48.9 63.7 3.3 267 22 C S >> - 0 0 44 -2,-0.4 4,-1.5 -6,-0.2 3,-1.3 -0.690 25.7-112.1-101.9 154.7 47.0 65.9 5.8 268 23 C L H 3> S+ 0 0 8 1,-0.3 4,-3.0 -2,-0.3 5,-0.3 0.885 115.7 60.8 -49.9 -47.5 46.0 65.2 9.4 269 24 C P H 3> S+ 0 0 21 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.862 106.6 48.7 -50.7 -35.0 42.3 65.0 8.5 270 25 C E H <> S+ 0 0 35 -3,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.881 112.2 47.2 -72.1 -39.1 43.2 62.1 6.3 271 26 C W H X S+ 0 0 0 -4,-1.5 4,-3.0 -3,-0.2 5,-0.3 0.900 110.1 51.4 -69.2 -42.7 45.2 60.4 8.9 272 27 C V H X S+ 0 0 0 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.949 116.2 42.3 -58.6 -49.6 42.6 60.7 11.7 273 28 C j H X S+ 0 0 1 -4,-1.7 4,-1.9 -5,-0.3 3,-0.3 0.941 115.5 49.0 -61.0 -52.0 40.0 59.3 9.3 274 29 C T H X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.904 110.7 48.6 -57.5 -48.1 42.3 56.5 8.0 275 30 C T H X>S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 6,-1.2 0.775 108.3 55.7 -66.7 -26.3 43.5 55.3 11.4 276 31 C F H X5S+ 0 0 87 -4,-1.3 4,-1.1 -3,-0.3 -1,-0.2 0.923 112.6 41.0 -70.3 -43.1 39.9 55.2 12.6 277 32 C H H <5S+ 0 0 81 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.494 119.2 49.7 -80.9 -3.3 38.9 52.9 9.8 278 33 C T H <5S- 0 0 37 -4,-0.6 -2,-0.2 -5,-0.2 -3,-0.2 0.847 138.5 -10.7 -99.8 -47.6 42.2 51.0 10.2 279 34 C S H ><5S- 0 0 18 -4,-2.6 3,-1.4 18,-0.2 -3,-0.2 0.306 85.4-113.6-136.7 4.8 42.3 50.2 13.9 280 35 C G T 3< -KL 286 300I 17 5,-2.9 5,-2.1 -2,-0.4 4,-0.4 -0.847 32.9 -25.4-118.2 146.1 50.3 45.9 14.9 296 51 C G T > 5S- 0 0 0 -11,-1.8 3,-0.9 -2,-0.4 -12,-0.2 -0.007 98.2 -28.4 68.3-166.2 49.0 49.1 16.6 297 52 C L T 3 5S+ 0 0 0 28,-0.4 -16,-0.3 -14,-0.3 -18,-0.2 0.780 141.3 38.3 -56.6 -34.4 47.2 52.2 15.5 298 53 C F T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.452 103.2-128.8 -99.3 -4.2 48.6 52.0 12.0 299 54 C Q T < 5 - 0 0 9 -3,-0.9 2,-0.4 -4,-0.4 -3,-0.2 0.957 34.1-173.7 52.4 58.9 48.4 48.2 11.6 300 55 C I E < -L 295 0I 0 -5,-2.1 -5,-2.9 22,-0.1 -1,-0.2 -0.705 18.3-128.6 -83.1 129.2 52.0 47.7 10.5 301 56 C N E >> -L 294 0I 11 -2,-0.4 5,-1.2 -7,-0.3 4,-0.8 -0.405 7.7-137.1 -84.0 159.6 52.6 44.1 9.5 302 57 C N T 45S+ 0 0 7 -9,-1.9 6,-0.3 3,-0.2 12,-0.2 0.199 92.7 81.3 -93.2 10.5 55.5 41.8 10.6 303 58 C K T 45S- 0 0 104 -10,-0.2 12,-1.1 11,-0.1 -1,-0.2 0.882 117.8 -11.1 -83.7 -42.3 55.9 40.6 7.0 304 59 C I T 45S+ 0 0 67 -3,-0.3 13,-2.7 10,-0.2 14,-0.2 0.672 132.1 46.6-127.7 -36.7 58.0 43.5 5.8 305 60 C W T <5S+ 0 0 8 -4,-0.8 13,-2.5 11,-0.3 2,-0.3 0.853 112.4 10.8 -87.7 -39.7 58.1 46.4 8.2 306 61 C k < - 0 0 0 -5,-1.2 2,-0.4 11,-0.1 10,-0.4 -0.906 67.0-129.8-136.5 164.4 58.8 45.1 11.7 307 62 C K B +m 321 0J 77 13,-2.1 15,-2.1 -2,-0.3 16,-0.3 -0.915 22.4 175.6-119.7 146.9 59.9 41.9 13.1 308 63 C D - 0 0 5 2,-0.9 6,-0.2 3,-0.4 13,-0.0 -0.791 53.9 -81.0-134.3 177.8 58.4 39.9 16.0 309 64 C D S S+ 0 0 155 -2,-0.3 2,-0.2 3,-0.1 12,-0.0 0.741 117.0 68.3 -54.8 -24.9 59.2 36.4 17.5 310 65 C Q S S+ 0 0 100 1,-0.3 -2,-0.9 2,-0.1 4,-0.2 -0.644 112.6 10.7 -89.8 154.6 57.1 34.9 14.7 311 66 C N S > S+ 0 0 65 -2,-0.2 3,-1.6 1,-0.2 -3,-0.4 0.918 73.8 179.7 40.6 61.8 58.7 35.2 11.3 312 67 C P T 3 S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.613 73.2 68.7 -68.2 -9.0 62.1 36.4 12.7 313 68 C H T 3 S+ 0 0 175 -6,-0.0 -2,-0.1 2,-0.0 -6,-0.0 0.472 72.7 142.4 -87.4 -3.6 63.4 36.5 9.1 314 69 C S < - 0 0 13 -3,-1.6 -10,-0.2 -6,-0.2 -11,-0.1 0.120 65.8-118.0 -36.2 146.0 61.1 39.5 8.3 315 70 C S - 0 0 77 -12,-1.1 -11,-0.2 -9,-0.1 -1,-0.1 0.895 38.5-165.9 -57.3 -37.9 62.5 42.2 6.0 316 71 C N > + 0 0 26 -10,-0.4 3,-1.5 1,-0.1 -11,-0.3 0.945 14.2 175.3 49.0 59.2 62.0 44.5 9.0 317 72 C I T 3 S+ 0 0 52 -13,-2.7 -12,-0.2 1,-0.3 -11,-0.1 0.753 77.9 54.2 -66.4 -24.3 62.5 47.6 6.9 318 73 C l T 3 S- 0 0 20 -13,-2.5 -1,-0.3 -14,-0.2 -12,-0.1 0.464 103.5-136.7 -88.9 0.2 61.7 49.8 9.9 319 74 C N < + 0 0 139 -3,-1.5 2,-0.3 -14,-0.2 -13,-0.1 0.924 62.9 110.7 43.2 60.9 64.4 48.0 11.9 320 75 C I S S- 0 0 38 -15,-0.3 -13,-2.1 16,-0.0 2,-0.4 -0.993 74.9 -99.6-158.4 156.2 62.3 47.6 15.0 321 76 C S B > -m 307 0J 42 -2,-0.3 3,-2.0 -15,-0.2 4,-0.3 -0.664 29.8-133.0 -80.8 130.6 60.4 45.1 17.1 322 77 C k G > S+ 0 0 0 -15,-2.1 3,-2.0 -2,-0.4 -1,-0.1 0.748 101.1 75.3 -54.7 -25.0 56.7 45.1 16.3 323 78 C D G > S+ 0 0 84 -16,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.817 82.9 66.4 -56.5 -34.4 56.1 45.2 20.1 324 79 C K G X S+ 0 0 97 -3,-2.0 3,-0.5 1,-0.3 9,-0.3 0.653 91.9 61.7 -63.9 -15.5 57.0 48.9 20.1 325 80 C F G < S+ 0 0 0 -3,-2.0 -28,-0.4 -4,-0.3 -1,-0.3 0.401 96.3 62.9 -90.5 3.3 53.9 49.6 18.0 326 81 C L G < S+ 0 0 33 -3,-2.0 -1,-0.2 -30,-0.1 -2,-0.2 0.397 87.9 80.2-107.4 -0.3 51.7 48.3 20.9 327 82 C D S < S- 0 0 59 -3,-0.5 -3,-0.0 2,-0.2 0, 0.0 -0.261 90.5-101.1 -94.7-171.1 52.6 50.8 23.6 328 83 C D S S+ 0 0 83 -2,-0.1 2,-0.8 -44,-0.0 -3,-0.0 0.653 94.0 89.5 -88.3 -16.3 51.3 54.4 24.1 329 84 C D - 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0 0 22 -5,-1.3 3,-1.6 -4,-0.6 4,-0.2 -0.090 44.8 -48.9 86.4 172.8 73.8 67.9 38.8 714 101 F I G > S+ 0 0 29 1,-0.3 3,-1.9 -82,-0.2 6,-0.3 0.732 119.1 79.9 -56.6 -24.3 71.8 65.2 40.5 715 102 F N G 3 + 0 0 68 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.468 65.9 84.0 -68.6 0.2 73.9 62.5 38.7 716 103 F Y G < S+ 0 0 50 -3,-1.6 2,-1.0 1,-0.2 -1,-0.3 0.835 88.0 63.4 -66.8 -29.7 76.7 62.9 41.2 717 104 F W S X> S- 0 0 9 -3,-1.9 3,-1.8 -4,-0.2 4,-0.6 -0.792 72.0-169.9 -97.9 94.1 74.5 60.5 43.2 718 105 F L H 3> S+ 0 0 145 -2,-1.0 4,-1.5 1,-0.3 5,-0.2 0.727 81.7 67.3 -55.9 -24.0 74.4 57.3 41.1 719 106 F A H 3>>S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.7 0.814 88.9 67.2 -69.0 -28.2 71.6 55.9 43.3 720 107 F H H <>5S+ 0 0 2 -3,-1.8 4,-1.6 -6,-0.3 -1,-0.2 0.938 106.7 34.9 -58.6 -53.2 69.2 58.6 42.2 721 108 F K H <5S+ 0 0 150 -4,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.908 123.2 45.1 -68.2 -43.8 68.8 57.4 38.6 722 109 F A H <5S+ 0 0 81 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.772 133.4 9.7 -73.4 -29.5 69.1 53.7 39.4 723 110 F L H <5S+ 0 0 96 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.512 126.6 46.2-131.4 -7.1 66.8 53.5 42.4 724 111 F v S < + 0 0 134 1,-0.2 3,-0.6 2,-0.1 -1,-0.1 -0.295 58.3 145.5 -63.5 68.3 58.4 54.6 42.3 728 115 F L G > + 0 0 12 -2,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.405 41.0 92.4 -90.2 1.8 58.6 57.4 44.8 729 116 F D G > S+ 0 0 129 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.728 76.6 69.6 -67.7 -17.8 55.5 56.8 46.8 730 117 F Q G < S+ 0 0 95 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.595 98.4 51.1 -74.0 -10.2 57.5 54.7 49.1 731 118 F W G < S+ 0 0 26 -3,-1.6 2,-0.3 -112,-0.0 -1,-0.2 0.167 76.7 116.5-117.9 20.7 59.3 57.8 50.4 732 119 F L < - 0 0 76 -3,-0.9 3,-0.1 1,-0.1 -113,-0.1 -0.689 32.3-179.8 -93.1 142.2 56.6 60.3 51.4 733 120 F u + 0 0 34 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 -0.126 66.7 43.9-128.6 36.8 56.2 61.5 55.0 734 121 F E 0 0 121 1,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.603 360.0 360.0 177.8 117.9 53.2 63.9 54.7 735 122 F K 0 0 144 -2,-0.2 -3,-0.1 -3,-0.1 -1,-0.0 -0.143 360.0 360.0 42.0 360.0 49.9 63.9 52.9