==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 04-AUG-11 3TAH . COMPND 2 MOLECULE: FERROUS IRON UPTAKE TRANSPORTER PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS; . AUTHOR M.R.ASH,M.J.MAHER,J.M.GUSS,M.JORMAKKA . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 3 1 2 6 0 2 0 2 2 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 2 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 A S 0 0 168 0, 0.0 2,-0.2 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 131.3 -8.3 16.0 -26.7 2 1 A M - 0 0 74 48,-0.1 2,-0.7 1,-0.1 48,-0.2 -0.468 360.0-127.3 -70.1 138.6 -6.8 15.4 -23.2 3 2 A T E -a 50 0A 39 46,-2.2 48,-2.8 -2,-0.2 2,-0.6 -0.837 26.9-149.7 -84.4 119.5 -3.4 13.6 -23.1 4 3 A E E -a 51 0A 23 -2,-0.7 77,-2.4 75,-0.2 78,-1.6 -0.857 12.5-169.0 -98.4 117.8 -4.1 10.7 -20.6 5 4 A I E -ab 52 82A 0 46,-3.2 48,-2.6 -2,-0.6 2,-0.6 -0.935 12.4-146.5-111.8 113.7 -1.0 9.7 -18.6 6 5 A A E -ab 53 83A 0 76,-2.9 78,-3.2 -2,-0.6 2,-0.5 -0.714 12.1-155.4 -81.8 117.9 -1.3 6.5 -16.6 7 6 A L E +ab 54 84A 1 46,-2.6 48,-1.4 -2,-0.6 2,-0.3 -0.839 27.9 153.1 -95.7 121.4 0.8 6.8 -13.4 8 7 A I E + b 0 85A 0 76,-2.1 78,-2.3 -2,-0.5 2,-0.3 -0.999 3.6 129.7-151.0 150.2 1.9 3.4 -12.0 9 8 A G E - b 0 86A 0 -2,-0.3 49,-1.6 47,-0.3 78,-0.1 -0.962 55.5 -56.7-176.5 179.1 4.6 1.8 -9.9 10 9 A N > - 0 0 5 76,-0.6 3,-1.3 -2,-0.3 5,-0.4 -0.299 67.1 -84.6 -65.0 154.5 5.3 -0.5 -7.0 11 10 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 47,-0.0 -0.347 117.0 18.7 -51.5 141.8 3.8 0.2 -3.5 12 11 A A T 3 S+ 0 0 90 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.732 87.5 119.6 63.7 26.1 6.1 2.7 -1.6 13 12 A S S < S- 0 0 1 -3,-1.3 76,-0.2 73,-0.1 101,-0.1 0.557 92.7 -99.9 -91.2 -10.4 7.8 3.9 -4.7 14 13 A G S > S+ 0 0 11 -4,-0.2 4,-2.5 72,-0.1 5,-0.2 0.570 81.1 135.8 98.9 16.6 6.6 7.4 -4.2 15 14 A K H > S+ 0 0 16 -5,-0.4 4,-3.1 2,-0.2 5,-0.1 0.928 74.2 44.5 -64.2 -46.7 3.7 7.3 -6.6 16 15 A T H > S+ 0 0 73 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.912 112.2 53.2 -62.6 -43.9 1.2 9.0 -4.3 17 16 A S H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.906 114.2 41.8 -57.7 -45.3 3.8 11.6 -3.4 18 17 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.904 111.6 55.3 -69.8 -42.7 4.4 12.4 -7.1 19 18 A F H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.2 5,-0.3 0.937 109.8 47.4 -50.8 -49.0 0.7 12.2 -7.9 20 19 A N H X S+ 0 0 71 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.885 113.7 46.9 -63.5 -41.0 0.1 14.9 -5.2 21 20 A L H < S+ 0 0 57 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.910 115.2 45.7 -63.6 -44.0 2.9 17.1 -6.4 22 21 A I H < S+ 0 0 9 -4,-2.9 23,-2.5 1,-0.2 24,-0.4 0.861 127.7 25.7 -70.3 -39.5 1.8 16.9 -10.1 23 22 A T H >< S- 0 0 1 -4,-2.5 3,-1.1 21,-0.2 20,-0.2 0.592 89.5-159.0-100.0 -17.5 -1.9 17.4 -9.5 24 23 A G T 3< - 0 0 26 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.352 63.6 -31.6 64.6-149.7 -1.9 19.4 -6.2 25 24 A H T 3 S+ 0 0 197 1,-0.1 2,-1.3 -4,-0.1 -1,-0.2 0.520 113.2 100.4 -80.9 -5.6 -5.2 19.4 -4.2 26 25 A N < + 0 0 108 -3,-1.1 17,-0.6 17,-0.1 2,-0.3 -0.631 52.2 137.7 -84.5 84.8 -7.4 19.1 -7.4 27 26 A Q E -C 42 0A 87 -2,-1.3 2,-0.4 15,-0.2 15,-0.2 -0.875 44.7-143.0-127.8 161.3 -8.2 15.4 -7.6 28 27 A R E -C 41 0A 150 13,-3.1 13,-2.2 -2,-0.3 2,-0.4 -0.992 21.7-170.6-123.0 126.6 -11.3 13.2 -8.3 29 28 A V E +C 40 0A 80 -2,-0.4 11,-0.2 11,-0.2 2,-0.2 -0.963 24.5 117.9-126.3 136.3 -11.8 9.9 -6.3 30 29 A G E -C 39 0A 41 9,-2.7 9,-2.3 -2,-0.4 2,-0.3 -0.691 56.1 -75.9-157.7-147.7 -14.2 7.0 -6.8 31 30 A N E -C 38 0A 90 7,-0.3 7,-0.2 -2,-0.2 5,-0.1 -0.929 39.6-104.0-127.9 156.6 -14.0 3.3 -7.4 32 31 A W > - 0 0 25 5,-2.5 3,-1.9 -2,-0.3 5,-0.2 -0.548 60.8 -82.1 -73.8 144.7 -13.3 1.2 -10.5 33 32 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.204 110.2 3.7 -58.1 135.5 -16.6 -0.2 -11.9 34 33 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.382 121.6 72.1 75.7 -1.8 -17.8 -3.4 -10.2 35 34 A V S < S- 0 0 57 -3,-1.9 -1,-0.2 2,-0.2 0, 0.0 -0.878 79.8-123.3-137.1 167.3 -15.0 -3.4 -7.6 36 35 A T + 0 0 144 -2,-0.3 2,-0.3 -5,-0.1 3,-0.1 0.282 67.0 125.5 -95.9 10.5 -14.0 -1.5 -4.5 37 36 A V S S- 0 0 12 -5,-0.2 -5,-2.5 1,-0.1 -2,-0.2 -0.543 70.6-105.8 -70.7 131.6 -10.5 -0.6 -5.8 38 37 A E E -C 31 0A 97 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.3 -0.295 27.4-156.1 -58.9 135.8 -10.0 3.2 -5.6 39 38 A R E +C 30 0A 100 -9,-2.3 -9,-2.7 16,-0.1 2,-0.4 -0.981 22.6 171.9-113.4 117.2 -10.2 5.1 -8.9 40 39 A K E +C 29 0A 18 -2,-0.5 14,-1.9 14,-0.4 2,-0.3 -0.989 6.2 159.8-133.2 135.6 -8.3 8.4 -8.7 41 40 A S E +CD 28 53A 4 -13,-2.2 -13,-3.1 -2,-0.4 2,-0.3 -0.947 8.2 179.6-145.6 164.9 -7.3 11.0 -11.2 42 41 A G E -CD 27 52A 5 10,-1.9 10,-3.4 -2,-0.3 2,-0.2 -0.965 30.7-108.1-162.4 152.2 -6.3 14.6 -11.5 43 42 A L E - D 0 51A 54 -17,-0.6 2,-0.4 -2,-0.3 8,-0.2 -0.567 47.4 -97.2 -80.0 148.4 -5.3 17.2 -14.0 44 43 A V E > - D 0 47A 8 6,-2.9 3,-1.4 3,-0.6 -21,-0.2 -0.555 31.6-140.2 -67.7 120.4 -1.6 18.3 -14.2 45 44 A K T 3 S+ 0 0 68 -23,-2.5 3,-0.3 -2,-0.4 -1,-0.2 0.864 101.2 39.9 -51.2 -42.3 -1.6 21.6 -12.1 46 45 A K T 3 S+ 0 0 157 -24,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.469 129.1 28.9 -90.4 -3.0 0.8 23.3 -14.5 47 46 A N E X - D 0 44A 69 -3,-1.4 3,-2.3 3,-0.2 -3,-0.6 -0.606 62.5-173.9-156.2 90.7 -0.8 21.9 -17.7 48 47 A K E 3 S+ 0 0 90 1,-0.3 -3,-0.1 -3,-0.3 -2,-0.0 0.572 80.6 74.0 -71.7 -9.0 -4.5 21.2 -17.4 49 48 A D E 3 S+ 0 0 116 -47,-0.1 -46,-2.2 -6,-0.1 2,-0.5 0.546 89.0 75.8 -69.7 -11.3 -4.6 19.6 -20.9 50 49 A L E < -a 3 0A 10 -3,-2.3 -6,-2.9 -6,-0.2 2,-0.5 -0.908 67.4-163.3-105.8 128.9 -2.8 16.6 -19.2 51 50 A E E -aD 4 43A 28 -48,-2.8 -46,-3.2 -2,-0.5 2,-0.6 -0.945 8.7-147.6-112.5 133.3 -4.7 14.2 -17.1 52 51 A I E -aD 5 42A 0 -10,-3.4 -10,-1.9 -2,-0.5 2,-0.8 -0.871 6.2-161.2 -97.2 118.7 -3.1 11.8 -14.7 53 52 A Q E -aD 6 41A 9 -48,-2.6 -46,-2.6 -2,-0.6 -12,-0.2 -0.904 15.5-147.5 -95.7 106.3 -4.9 8.5 -14.2 54 53 A D E -a 7 0A 9 -14,-1.9 -14,-0.4 -2,-0.8 -46,-0.1 -0.465 13.8-162.9 -68.0 146.4 -3.5 7.0 -11.0 55 54 A L - 0 0 1 -48,-1.4 -46,-0.2 -2,-0.1 3,-0.1 -0.946 31.6 -86.1-127.9 152.2 -3.4 3.3 -11.0 56 55 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -47,-0.3 -0.250 49.1-102.0 -58.7 143.4 -3.1 1.0 -7.9 57 56 A G + 0 0 28 -49,-0.1 2,-0.3 -47,-0.1 -47,-0.2 -0.538 56.5 166.1 -64.6 125.3 0.5 0.3 -6.7 58 57 A I - 0 0 6 -49,-1.6 3,-0.1 -2,-0.3 40,-0.1 -0.957 42.8-146.6-141.4 160.0 1.4 -3.2 -7.9 59 58 A Y S S- 0 0 121 1,-0.3 2,-0.3 -2,-0.3 39,-0.2 0.623 84.3 -7.6 -97.1 -21.2 4.5 -5.4 -8.3 60 59 A S - 0 0 25 2,-0.1 2,-1.0 38,-0.1 -1,-0.3 -0.963 69.7-104.1-167.5 165.0 3.4 -7.2 -11.4 61 60 A M + 0 0 0 -2,-0.3 -3,-0.0 -3,-0.1 8,-0.0 -0.575 62.1 147.6-102.5 68.0 0.4 -7.7 -13.7 62 61 A S > - 0 0 25 -2,-1.0 3,-0.5 1,-0.0 10,-0.1 -0.480 58.7-116.4 -94.5 167.9 -0.7 -11.1 -12.5 63 62 A P T 3 S+ 0 0 26 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 0.460 93.3 87.9 -84.2 5.0 -4.3 -12.4 -12.4 64 63 A Y T 3 S+ 0 0 192 4,-0.0 3,-0.1 5,-0.0 -3,-0.0 0.309 80.0 47.5 -98.1 4.0 -4.2 -12.8 -8.5 65 64 A S <> - 0 0 29 -3,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.998 69.0-131.5-141.2 148.6 -5.3 -9.4 -7.2 66 65 A P H > S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.852 111.0 54.4 -56.5 -38.4 -8.1 -6.9 -8.0 67 66 A E H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.896 108.2 47.4 -63.2 -46.7 -5.6 -4.1 -8.1 68 67 A E H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 112.3 51.0 -62.0 -38.9 -3.4 -5.9 -10.7 69 68 A K H X S+ 0 0 87 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.915 108.3 51.2 -67.0 -43.9 -6.5 -6.7 -12.7 70 69 A V H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.938 112.1 47.4 -57.1 -46.6 -7.7 -3.0 -12.7 71 70 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.947 114.5 46.1 -62.2 -49.3 -4.2 -1.9 -13.9 72 71 A R H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.943 112.5 48.4 -58.3 -53.3 -4.0 -4.5 -16.6 73 72 A D H X S+ 0 0 66 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.901 113.6 48.4 -57.3 -43.6 -7.6 -3.9 -18.0 74 73 A Y H ><>S+ 0 0 20 -4,-2.2 5,-0.8 -5,-0.3 3,-0.7 0.953 113.8 45.2 -62.6 -49.5 -7.0 -0.2 -18.1 75 74 A L H ><5S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.850 114.1 48.8 -65.1 -35.2 -3.7 -0.4 -19.8 76 75 A L H 3<5S+ 0 0 19 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.603 95.5 74.6 -77.4 -13.1 -5.0 -2.9 -22.4 77 76 A S T <<5S- 0 0 68 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.572 98.9-132.4 -74.2 -10.6 -8.1 -0.8 -23.1 78 77 A Q T < 5S+ 0 0 99 -3,-0.8 -3,-0.1 -4,-0.3 -2,-0.1 0.782 72.5 121.7 60.7 30.4 -5.8 1.6 -25.1 79 78 A R < + 0 0 54 -5,-0.8 2,-0.4 2,-0.0 -75,-0.2 0.697 53.6 82.5 -89.0 -25.8 -7.3 4.7 -23.3 80 79 A A - 0 0 1 -6,-0.4 -75,-0.2 -5,-0.1 3,-0.1 -0.663 58.1-166.4 -81.1 134.2 -3.9 5.8 -22.0 81 80 A D S S+ 0 0 36 -77,-2.4 81,-1.7 -2,-0.4 2,-0.3 0.792 76.9 11.1 -81.1 -33.0 -1.7 7.8 -24.3 82 81 A S E -b 5 0A 0 -78,-1.6 -76,-2.9 79,-0.2 2,-0.5 -0.967 63.9-136.7-145.1 150.1 1.4 7.4 -22.1 83 82 A I E -be 6 109A 0 25,-2.5 27,-2.3 -2,-0.3 2,-0.7 -0.984 13.2-161.9-108.5 125.6 2.5 5.3 -19.1 84 83 A L E -be 7 110A 1 -78,-3.2 -76,-2.1 -2,-0.5 2,-0.7 -0.937 15.0-159.5-105.9 106.3 4.5 7.3 -16.4 85 84 A N E -be 8 111A 1 25,-2.9 27,-2.4 -2,-0.7 2,-0.6 -0.814 5.6-150.4 -97.6 112.6 6.2 4.5 -14.4 86 85 A V E -be 9 112A 1 -78,-2.3 -76,-0.6 -2,-0.7 2,-0.4 -0.761 20.2-173.4 -85.1 119.8 7.4 5.5 -10.9 87 86 A V E - e 0 113A 0 25,-2.7 27,-2.2 -2,-0.6 2,-0.9 -0.972 26.1-128.3-122.1 128.8 10.5 3.5 -10.0 88 87 A D E > - e 0 114A 19 -2,-0.4 3,-2.2 3,-0.2 7,-0.3 -0.672 16.1-159.0 -75.6 104.6 12.3 3.4 -6.7 89 88 A A G > S+ 0 0 4 25,-2.7 3,-0.8 -2,-0.9 -1,-0.2 0.750 89.3 60.2 -56.3 -29.4 15.9 4.1 -7.5 90 89 A T G 3 S+ 0 0 41 1,-0.3 -1,-0.3 24,-0.2 25,-0.1 0.462 116.3 32.3 -80.7 -3.4 17.0 2.5 -4.2 91 90 A N G <> S+ 0 0 40 -3,-2.2 4,-1.9 1,-0.1 -1,-0.3 -0.305 79.9 154.6-144.2 52.1 15.4 -0.8 -5.2 92 91 A L H <> + 0 0 16 -3,-0.8 4,-2.2 1,-0.2 5,-0.2 0.884 64.7 47.6 -59.0 -55.6 15.9 -0.7 -8.9 93 92 A E H > S+ 0 0 80 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.899 113.5 48.6 -57.3 -45.4 16.0 -4.4 -10.1 94 93 A R H >4 S+ 0 0 137 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.876 113.2 48.3 -60.7 -41.8 12.8 -5.3 -8.1 95 94 A N H >X S+ 0 0 4 -4,-1.9 4,-1.1 -7,-0.3 3,-0.5 0.818 103.2 60.8 -68.8 -34.1 10.9 -2.2 -9.4 96 95 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.621 85.0 78.9 -72.6 -12.8 11.9 -2.9 -13.1 97 96 A Y H S+ 0 0 0 -3,-0.5 4,-2.1 -4,-0.5 3,-0.6 0.911 109.7 62.9 -60.5 -43.7 6.8 -4.4 -13.4 99 98 A T H 3X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.3 5,-0.2 0.887 98.0 55.0 -52.5 -43.9 8.5 -2.0 -15.9 100 99 A T H 3X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.3 0.896 110.1 46.9 -59.1 -39.1 9.2 -4.8 -18.4 101 100 A Q H <>S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 5,-0.5 0.912 106.3 52.2 -61.3 -44.4 4.4 -2.2 -18.8 103 102 A I H ><5S+ 0 0 5 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.903 103.5 59.6 -57.9 -41.3 6.6 -1.8 -21.9 104 103 A E H 3<5S+ 0 0 0 -4,-1.4 95,-0.9 1,-0.3 -1,-0.2 0.687 87.7 73.0 -65.8 -19.6 5.0 -4.9 -23.4 105 104 A T T <<5S- 0 0 3 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.719 104.5-126.4 -63.8 -21.2 1.5 -3.4 -23.2 106 105 A G T < 5S+ 0 0 3 -3,-1.7 -2,-0.1 -4,-0.4 -3,-0.1 0.453 73.5 121.6 84.0 1.5 2.6 -1.2 -26.2 107 106 A I S > + 0 0 50 -27,-0.2 4,-1.5 -26,-0.1 3,-1.0 0.728 66.4 146.1 66.7 23.0 14.0 8.5 -4.5 116 115 A I H 3> + 0 0 43 26,-1.9 4,-1.6 -3,-0.3 27,-0.2 0.805 65.4 57.8 -63.6 -29.5 17.1 9.8 -6.2 117 116 A D H 3> S+ 0 0 45 25,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.784 104.8 51.3 -68.2 -29.0 18.0 11.9 -3.1 118 117 A V H <> S+ 0 0 51 -3,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.848 104.9 56.1 -74.0 -40.6 18.0 8.7 -1.0 119 118 A L H ><>S+ 0 0 8 -4,-1.5 5,-2.0 1,-0.2 3,-0.6 0.903 103.1 54.8 -57.2 -46.8 20.3 6.9 -3.4 120 119 A D H ><5S+ 0 0 76 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.882 108.6 49.7 -54.5 -42.1 22.8 9.8 -3.1 121 120 A G H 3<5S+ 0 0 72 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.697 104.9 56.8 -71.4 -23.4 22.8 9.2 0.7 122 121 A Q T <<5S- 0 0 101 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.387 114.7-111.9 -86.0 1.1 23.4 5.4 0.5 123 122 A G T < 5S+ 0 0 75 -3,-0.9 2,-0.2 -4,-0.3 -3,-0.2 0.757 76.7 131.2 69.1 25.6 26.6 5.9 -1.5 124 123 A K < - 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0 0 53 0, 0.0 4,-0.6 0, 0.0 3,-0.4 -0.391 33.0-126.7 -64.6 144.8 -4.3 -5.9 -31.5 194 193 A Q T >4 S+ 0 0 163 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.887 106.8 59.8 -54.5 -41.2 -0.8 -5.6 -33.0 195 194 A R T 34 S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.860 118.7 26.2 -59.0 -41.0 0.2 -3.0 -30.4 196 195 A S T 3> S+ 0 0 3 -3,-0.4 4,-2.0 1,-0.1 3,-0.4 0.251 88.7 111.1-106.0 8.3 -0.4 -5.3 -27.4 197 196 A A H S+ 0 0 16 -4,-0.4 4,-2.5 2,-0.2 -1,-0.3 0.876 106.6 53.8 -64.2 -39.7 3.5 -9.3 -27.4 199 198 A F H > S+ 0 0 1 -95,-0.9 4,-2.1 -3,-0.4 -1,-0.2 0.928 113.7 42.8 -56.7 -48.7 1.8 -8.8 -24.0 200 199 A Y H X S+ 0 0 23 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.889 111.8 53.8 -67.5 -40.1 -0.9 -11.3 -24.9 201 200 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.918 111.4 45.1 -61.6 -43.8 1.7 -13.8 -26.4 202 201 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.910 112.5 51.7 -67.0 -43.1 3.8 -13.8 -23.2 203 202 A K H <>S+ 0 0 2 -4,-2.1 5,-2.8 -5,-0.2 -2,-0.2 0.886 110.5 48.5 -59.4 -41.0 0.6 -14.1 -21.1 204 203 A L H ><5S+ 0 0 4 -4,-2.5 3,-1.4 3,-0.2 -1,-0.2 0.900 108.4 54.2 -65.1 -40.5 -0.5 -17.1 -23.1 205 204 A F H 3<5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.915 111.2 44.6 -59.5 -44.1 2.9 -18.7 -22.9 206 205 A E T 3<5S- 0 0 35 -4,-2.2 -1,-0.3 34,-0.1 -2,-0.2 0.307 116.4-116.5 -84.9 9.5 2.8 -18.5 -19.1 207 206 A Q T < 5 - 0 0 83 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.849 37.4-167.7 55.9 44.1 -0.8 -19.8 -19.0 208 207 A D >< - 0 0 8 -5,-2.8 4,-2.2 1,-0.2 -1,-0.2 -0.448 13.7-147.7 -59.1 118.0 -2.3 -16.6 -17.6 209 208 A S H > S+ 0 0 65 -2,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.798 92.5 53.9 -66.5 -30.5 -5.9 -17.7 -16.6 210 209 A L H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 110.9 44.1 -69.2 -45.7 -7.4 -14.2 -17.3 211 210 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.919 113.6 52.3 -65.1 -42.0 -6.1 -14.0 -20.9 212 211 A E H < S+ 0 0 92 -4,-2.2 5,-0.2 1,-0.2 -2,-0.2 0.892 112.7 44.5 -61.7 -40.9 -7.1 -17.6 -21.6 213 212 A A H < S+ 0 0 90 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.823 117.4 44.9 -70.9 -32.6 -10.6 -17.0 -20.3 214 213 A E H < S+ 0 0 102 -4,-1.8 2,-0.2 -5,-0.1 -2,-0.2 0.821 94.5 83.0 -86.5 -32.2 -11.0 -13.7 -22.2 215 214 A L S < S- 0 0 24 -4,-2.4 2,-1.3 -5,-0.1 -23,-0.1 -0.530 72.2-137.1 -78.7 138.3 -9.6 -14.6 -25.7 216 215 A D + 0 0 156 -2,-0.2 2,-0.4 -25,-0.2 -1,-0.1 -0.744 39.5 171.1 -94.6 84.6 -11.8 -16.3 -28.3 217 216 A L - 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0 0 76 -2,-0.3 4,-2.1 -3,-0.1 3,-0.3 -0.457 39.4-111.8 -73.5 150.0 7.9 -24.5 -16.2 240 239 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.856 114.9 51.1 -50.1 -47.8 6.7 -21.8 -18.5 241 240 A E H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 111.7 48.1 -60.4 -43.2 5.9 -19.2 -15.7 242 241 A S H > S+ 0 0 31 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.867 106.6 57.2 -63.8 -40.1 9.4 -19.6 -14.2 243 242 A I H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.938 109.7 44.7 -55.6 -49.5 11.0 -19.3 -17.7 244 243 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.923 113.0 50.7 -65.4 -44.4 9.4 -15.8 -18.1 245 244 A I H X S+ 0 0 57 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.936 112.6 46.7 -54.6 -49.5 10.2 -14.8 -14.6 246 245 A N H X S+ 0 0 79 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.890 111.9 50.8 -63.3 -41.5 13.9 -15.8 -15.0 247 246 A E H X S+ 0 0 21 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.887 108.3 52.3 -65.0 -40.8 14.1 -14.0 -18.4 248 247 A R H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.961 113.6 43.1 -57.9 -52.8 12.6 -10.8 -17.0 249 248 A Y H X S+ 0 0 79 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.873 111.9 53.9 -63.2 -36.5 15.2 -10.7 -14.2 250 249 A A H X S+ 0 0 33 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.942 110.8 46.4 -62.1 -46.6 18.1 -11.7 -16.6 251 250 A F H X S+ 0 0 17 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.933 113.2 49.8 -56.9 -49.7 17.2 -8.8 -18.9 252 251 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.907 110.8 48.8 -57.7 -47.1 16.9 -6.4 -15.9 253 252 A E H X S+ 0 0 109 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.907 111.8 49.4 -60.7 -43.5 20.3 -7.5 -14.5 254 253 A R H X S+ 0 0 102 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.931 113.1 46.8 -60.1 -48.6 22.0 -7.1 -17.9 255 254 A V H X S+ 0 0 2 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.940 112.7 48.5 -59.1 -49.4 20.5 -3.6 -18.3 256 255 A C H < S+ 0 0 5 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.873 113.1 48.2 -64.3 -37.1 21.5 -2.5 -14.8 257 256 A Q H >< S+ 0 0 144 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.948 112.9 46.6 -62.3 -52.0 25.1 -3.8 -15.3 258 257 A M H 3< S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.690 109.6 59.0 -63.6 -19.1 25.4 -2.0 -18.7 259 258 A A T 3< 0 0 2 -4,-1.5 -132,-1.5 -5,-0.2 -1,-0.3 -0.025 360.0 360.0 -99.9 27.4 23.9 1.1 -17.0 260 259 A E < 0 0 147 -3,-1.3 -3,-0.1 -134,-0.1 -134,-0.1 -0.283 360.0 360.0-140.0 360.0 26.7 1.4 -14.3 261 !* 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 0.0 262 -1 B G 0 0 141 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-152.7 11.9 12.9 -38.4 263 0 B S - 0 0 112 48,-0.0 2,-0.2 3,-0.0 48,-0.0 -0.975 360.0-133.1-120.1 121.3 15.1 11.3 -39.8 264 1 B M - 0 0 72 -2,-0.5 2,-0.6 1,-0.1 48,-0.2 -0.524 24.1-122.3 -67.3 133.9 15.3 9.7 -43.2 265 2 B T E -h 312 0C 36 46,-2.3 48,-2.6 -2,-0.2 2,-0.6 -0.760 28.6-146.1 -76.3 121.2 17.0 6.3 -43.2 266 3 B E E -h 313 0C 27 -2,-0.6 77,-2.6 75,-0.2 78,-1.6 -0.835 14.9-169.3-100.3 115.1 19.9 6.8 -45.6 267 4 B I E -hi 314 344C 0 46,-3.0 48,-2.8 -2,-0.6 2,-0.6 -0.927 13.1-145.3-110.8 118.4 20.7 3.6 -47.6 268 5 B A E -hi 315 345C 0 76,-3.1 78,-3.0 -2,-0.6 2,-0.6 -0.745 12.2-155.9 -85.6 117.2 24.0 3.7 -49.7 269 6 B L E +hi 316 346C 1 46,-2.8 48,-2.0 -2,-0.6 2,-0.3 -0.835 28.3 151.6 -98.4 123.3 23.6 1.7 -52.9 270 7 B I E + i 0 347C 0 76,-1.8 78,-2.1 -2,-0.6 2,-0.3 -0.997 4.1 130.9-154.8 150.4 26.8 0.4 -54.3 271 8 B G E - i 0 348C 0 -2,-0.3 49,-1.8 47,-0.3 78,-0.1 -0.955 55.5 -57.1-179.0 176.2 28.3 -2.4 -56.4 272 9 B N > - 0 0 4 76,-0.5 3,-1.4 -2,-0.3 5,-0.4 -0.296 66.2 -85.9 -64.6 157.0 30.5 -3.1 -59.3 273 10 B P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 47,-0.0 -0.365 117.9 21.4 -54.0 144.9 29.9 -1.7 -62.7 274 11 B A T 3 S+ 0 0 88 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.655 87.2 118.2 64.2 20.2 27.4 -3.9 -64.7 275 12 B S S < S- 0 0 1 -3,-1.4 76,-0.2 73,-0.1 101,-0.1 0.547 92.9-100.7 -88.5 -7.3 26.0 -5.5 -61.4 276 13 B G S > S+ 0 0 10 -4,-0.2 4,-2.6 100,-0.1 5,-0.2 0.552 80.2 137.1 96.2 12.1 22.5 -4.2 -62.1 277 14 B K H > S+ 0 0 17 -5,-0.4 4,-2.8 2,-0.2 5,-0.1 0.922 73.2 44.2 -57.9 -49.9 22.8 -1.3 -59.6 278 15 B T H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.911 112.3 53.0 -63.8 -43.2 21.2 1.3 -61.9 279 16 B S H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 113.7 43.4 -57.1 -44.6 18.4 -1.1 -62.8 280 17 B L H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.907 110.6 55.0 -66.9 -42.7 17.7 -1.7 -59.1 281 18 B F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.922 109.4 48.6 -53.2 -48.1 18.0 2.0 -58.3 282 19 B N H X S+ 0 0 68 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.869 112.4 46.7 -62.3 -42.0 15.3 2.7 -61.0 283 20 B L H < S+ 0 0 55 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.867 115.6 46.3 -65.7 -39.5 12.9 0.0 -59.7 284 21 B I H < S+ 0 0 8 -4,-2.4 23,-2.3 1,-0.2 24,-0.4 0.899 124.4 29.6 -72.5 -43.5 13.3 1.1 -56.1 285 22 B T H >< S- 0 0 1 -4,-2.5 3,-0.9 1,-0.3 20,-0.2 0.513 92.3-156.3 -94.0 -8.7 12.9 4.9 -56.6 286 23 B G T 3< - 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0 0 52 0, 0.0 4,-0.7 0, 0.0 3,-0.2 -0.430 31.2-128.0 -68.0 146.4 36.5 5.8 -34.8 456 193 B Q T >4 S+ 0 0 167 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.890 106.2 60.0 -58.4 -38.9 35.9 2.4 -33.3 457 194 B R T 34 S+ 0 0 84 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.888 119.3 25.1 -58.1 -43.7 33.3 1.6 -35.9 458 195 B S T >> S+ 0 0 2 -3,-0.2 4,-1.8 1,-0.2 3,-0.6 0.276 88.1 112.9-105.7 8.5 35.6 2.0 -38.9 459 196 B A H S+ 0 0 25 -4,-0.4 4,-2.4 -3,-0.2 5,-0.3 0.886 105.7 53.3 -67.9 -38.6 39.5 -2.0 -39.0 461 198 B F H <> S+ 0 0 1 -95,-0.9 4,-2.3 -3,-0.6 -2,-0.2 0.953 113.5 44.1 -56.3 -49.3 39.1 -0.2 -42.4 462 199 B Y H X S+ 0 0 11 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.909 111.7 52.4 -62.5 -43.5 41.7 2.3 -41.3 463 200 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.901 112.0 45.2 -62.2 -43.1 44.1 -0.4 -39.9 464 201 B I H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.928 112.2 51.6 -67.7 -44.0 44.0 -2.5 -43.1 465 202 B K H <>S+ 0 0 5 -4,-2.3 5,-2.7 -5,-0.3 -2,-0.2 0.898 109.7 50.3 -59.6 -39.2 44.4 0.6 -45.3 466 203 B L H ><5S+ 0 0 4 -4,-2.6 3,-1.3 3,-0.2 -1,-0.2 0.904 107.3 54.8 -64.2 -39.7 47.5 1.6 -43.2 467 204 B F H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.896 110.6 44.2 -59.2 -44.2 48.9 -1.9 -43.6 468 205 B E T 3<5S- 0 0 28 -4,-2.2 -1,-0.3 34,-0.1 -2,-0.2 0.281 117.2-116.8 -87.7 12.7 48.7 -1.6 -47.4 469 206 B Q T < 5 - 0 0 90 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.864 37.6-167.0 58.6 44.2 50.1 1.9 -47.2 470 207 B D >< - 0 0 8 -5,-2.7 4,-2.3 1,-0.2 -1,-0.2 -0.498 12.7-148.9 -63.6 115.4 47.1 3.7 -48.6 471 208 B S H > S+ 0 0 66 -2,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.825 92.7 51.8 -60.5 -35.8 48.3 7.3 -49.4 472 209 B L H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 111.2 46.0 -70.7 -42.6 44.9 8.9 -48.7 473 210 B V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.912 111.5 52.4 -64.4 -44.6 44.4 7.3 -45.3 474 211 B E H X S+ 0 0 83 -4,-2.3 4,-1.8 2,-0.2 5,-0.4 0.924 113.2 45.2 -55.9 -45.0 48.0 8.2 -44.3 475 212 B A H < S+ 0 0 75 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.918 112.3 51.0 -64.1 -47.1 47.3 11.8 -45.3 476 213 B E H < S+ 0 0 100 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 116.5 39.6 -56.8 -43.8 44.0 11.9 -43.5 477 214 B L H < S- 0 0 32 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.748 80.5-162.3 -86.7 -25.1 45.4 10.6 -40.2 478 215 B D < - 0 0 122 -4,-1.8 -3,-0.1 -5,-0.2 -4,-0.1 0.909 24.5-153.3 39.8 67.2 48.7 12.5 -40.1 479 216 B L - 0 0 15 -5,-0.4 -1,-0.1 1,-0.1 -29,-0.0 -0.140 12.6 -98.1 -72.6 160.9 50.2 10.1 -37.5 480 217 B S > - 0 0 58 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.261 35.4-105.7 -68.4 163.9 52.8 10.8 -34.9 481 218 B Q H > S+ 0 0 147 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.905 123.7 49.6 -54.5 -45.0 56.5 9.9 -35.5 482 219 B F H > S+ 0 0 137 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 109.7 49.6 -64.0 -45.8 56.0 7.1 -32.9 483 220 B Q H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 110.2 51.8 -58.9 -42.9 52.9 5.8 -34.6 484 221 B R H X S+ 0 0 111 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.913 111.2 47.1 -60.0 -44.9 54.6 5.8 -38.0 485 222 B K H X S+ 0 0 112 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 111.2 51.2 -63.3 -45.4 57.6 3.8 -36.6 486 223 B E H X S+ 0 0 56 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.909 113.9 43.7 -56.8 -47.6 55.2 1.3 -34.9 487 224 B I H X S+ 0 0 11 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.890 110.8 54.0 -68.4 -41.2 53.3 0.7 -38.2 488 225 B E H X S+ 0 0 123 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.910 109.4 50.2 -57.5 -42.1 56.4 0.5 -40.3 489 226 B D H X S+ 0 0 82 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.916 110.1 48.8 -61.7 -47.5 57.7 -2.2 -37.9 490 227 B I H X S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.936 113.4 46.8 -59.7 -48.9 54.4 -4.2 -38.2 491 228 B I H X S+ 0 0 13 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.951 112.1 51.4 -58.9 -46.3 54.4 -4.0 -42.0 492 229 B R H X S+ 0 0 122 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.921 113.8 40.3 -60.8 -52.6 58.1 -5.0 -42.2 493 230 B I H X S+ 0 0 81 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.873 116.1 52.2 -64.6 -36.8 58.0 -8.2 -40.0 494 231 B T H X S+ 0 0 8 -4,-2.1 4,-1.8 -5,-0.3 5,-0.2 0.942 108.3 50.0 -66.5 -46.6 54.6 -9.2 -41.5 495 232 B E H X>S+ 0 0 59 -4,-3.1 4,-1.5 -5,-0.2 5,-1.4 0.902 110.2 53.1 -54.4 -40.6 56.0 -8.9 -45.1 496 233 B E H <5S+ 0 0 108 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.893 108.7 46.9 -64.9 -41.8 59.0 -11.1 -44.0 497 234 B I H <5S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.800 121.0 37.9 -75.0 -26.7 56.8 -13.9 -42.6 498 235 B F H <5S- 0 0 31 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.609 98.2-138.5 -86.8 -15.4 54.6 -13.9 -45.8 499 236 B T T <5S+ 0 0 130 -4,-1.5 2,-0.3 -5,-0.2 -3,-0.2 0.890 71.3 101.7 46.4 47.3 57.5 -13.3 -48.2 500 237 B E S - 0 0 70 -2,-0.3 4,-2.2 -3,-0.1 3,-0.2 -0.374 40.2-111.5 -69.5 151.8 54.6 -7.2 -50.1 502 239 B A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.864 114.5 52.2 -54.9 -47.1 51.8 -5.7 -47.9 503 240 B E H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 112.5 46.6 -58.6 -43.9 49.4 -4.7 -50.7 504 241 B S H > S+ 0 0 32 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.844 106.3 58.4 -65.5 -37.8 49.6 -8.3 -52.1 505 242 B I H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.945 110.1 43.8 -55.9 -47.2 49.2 -9.9 -48.7 506 243 B V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.931 113.4 50.2 -66.7 -45.8 45.8 -8.1 -48.3 507 244 B I H X S+ 0 0 49 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.943 113.8 46.4 -53.9 -51.6 44.7 -8.8 -51.9 508 245 B N H X S+ 0 0 86 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.883 112.3 49.6 -60.7 -42.2 45.5 -12.5 -51.4 509 246 B E H X S+ 0 0 21 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.875 109.3 51.9 -67.4 -37.8 43.8 -12.7 -48.0 510 247 B R H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.952 113.5 43.9 -59.6 -50.2 40.6 -11.1 -49.3 511 248 B Y H X S+ 0 0 72 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.848 111.3 53.4 -68.0 -34.2 40.4 -13.6 -52.2 512 249 B A H X S+ 0 0 31 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.927 111.6 46.2 -64.0 -44.4 41.2 -16.6 -49.9 513 250 B F H X S+ 0 0 18 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.945 114.9 47.5 -57.7 -49.9 38.4 -15.5 -47.6 514 251 B I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.912 110.7 50.9 -60.7 -44.8 36.1 -15.0 -50.6 515 252 B E H X S+ 0 0 105 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.890 108.9 52.1 -62.1 -39.5 37.1 -18.4 -52.1 516 253 B R H X S+ 0 0 120 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.930 112.4 45.6 -59.9 -47.3 36.3 -20.1 -48.8 517 254 B V H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.906 113.2 49.1 -62.6 -44.7 32.9 -18.5 -48.7 518 255 B C H X S+ 0 0 7 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.820 106.0 56.1 -68.1 -34.7 32.0 -19.3 -52.3 519 256 B Q H < S+ 0 0 142 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.863 113.6 42.3 -63.8 -37.6 33.1 -23.0 -52.0 520 257 B M H < S+ 0 0 86 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.866 124.8 34.3 -71.2 -40.4 30.6 -23.3 -49.1 521 258 B A H < S+ 0 0 1 -4,-2.1 -132,-2.9 -129,-0.1 -2,-0.2 0.828 105.3 70.1 -92.1 -35.4 27.8 -21.3 -50.8 522 259 B E E < +N 388 0D 62 -4,-3.1 2,-0.3 -134,-0.2 -134,-0.2 -0.495 50.4 161.5 -89.7 153.8 28.1 -22.1 -54.6 523 260 B S E -N 387 0D 58 -136,-1.9 -136,-2.3 -2,-0.2 2,-0.6 -0.975 39.8-107.5-160.0 161.9 27.3 -25.2 -56.5 524 261 B H E N 386 0D 159 -2,-0.3 -138,-0.3 -138,-0.2 -139,-0.1 -0.867 360.0 360.0 -95.4 120.3 26.6 -26.5 -60.0 525 262 B T 0 0 79 -140,-1.9 -139,-0.3 -2,-0.6 -1,-0.1 0.172 360.0 360.0-166.4 360.0 22.9 -27.5 -60.5