==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-AUG-97 6GSS . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE P1-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.OAKLEY,M.PARKER . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 15 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 2 0 2 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 2 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 122 0, 0.0 56,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-136.1 31.0 2.6 37.8 2 3 A Y E -aB 27 56A 24 24,-0.7 26,-2.3 54,-0.2 2,-0.4 -0.777 360.0-179.6-110.0 146.4 27.8 2.5 35.7 3 4 A T E -aB 28 55A 24 52,-1.7 52,-2.3 -2,-0.3 2,-0.5 -0.988 8.6-163.1-143.0 125.3 24.2 2.6 36.7 4 5 A V E -aB 29 54A 1 24,-2.6 26,-2.9 -2,-0.4 2,-0.6 -0.966 4.0-162.2-113.6 124.9 21.2 2.5 34.3 5 6 A V E +aB 30 53A 12 48,-3.0 48,-1.9 -2,-0.5 2,-0.3 -0.954 35.1 130.6-105.2 119.7 17.9 3.5 35.7 6 7 A Y E -a 31 0A 22 24,-1.9 26,-2.4 -2,-0.6 -2,-0.0 -0.975 57.7 -82.2-162.3 168.5 15.1 2.3 33.5 7 8 A F - 0 0 51 -2,-0.3 2,-2.3 24,-0.2 26,-0.2 -0.307 58.9 -92.5 -71.2 161.7 11.7 0.5 33.3 8 9 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.268 96.8 92.2 -77.0 58.4 11.7 -3.3 33.3 9 10 A V S S- 0 0 12 -2,-2.3 193,-0.2 191,-0.2 4,-0.1 -0.898 78.3-124.8-140.9 164.7 11.8 -3.5 29.4 10 11 A R >> + 0 0 34 191,-2.5 3,-2.2 -2,-0.3 4,-1.0 0.966 68.5 122.5 -75.6 -56.9 14.5 -3.7 26.8 11 12 A G G >4 S- 0 0 13 191,-2.8 3,-0.9 1,-0.3 4,-0.3 0.064 86.4 -8.6 36.9-129.3 13.3 -0.7 24.9 12 13 A R G 34 S+ 0 0 61 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.419 133.6 60.3 -77.8 1.0 15.9 2.1 24.5 13 14 A C G <> S+ 0 0 0 -3,-2.2 4,-2.2 2,-0.1 -1,-0.2 0.572 77.7 87.1-104.3 -9.5 18.4 0.4 26.8 14 15 A A H S+ 0 0 3 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.919 112.9 46.6 -60.8 -47.5 21.7 -1.5 22.8 16 17 A L H > S+ 0 0 1 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.842 112.5 51.5 -66.6 -30.5 23.6 0.1 25.6 17 18 A R H X S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.903 109.5 49.2 -71.0 -40.6 23.3 -3.0 27.6 18 19 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.902 111.4 51.6 -63.4 -38.8 24.6 -5.1 24.8 19 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.952 112.4 43.7 -62.2 -51.9 27.5 -2.7 24.4 20 21 A L H <>S+ 0 0 0 -4,-2.4 5,-3.2 2,-0.2 -2,-0.2 0.938 116.3 47.9 -59.8 -47.2 28.4 -2.9 28.1 21 22 A A H ><5S+ 0 0 14 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.948 113.5 46.7 -59.5 -50.1 28.0 -6.7 28.2 22 23 A D H 3<5S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 165,-0.2 0.810 111.0 51.8 -64.6 -31.6 30.1 -7.2 25.0 23 24 A Q T 3<5S- 0 0 58 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.288 116.1-114.9 -87.4 9.6 32.8 -4.8 26.2 24 25 A G T < 5 + 0 0 47 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.834 62.7 155.5 62.3 33.9 33.0 -6.8 29.5 25 26 A Q < - 0 0 69 -5,-3.2 2,-0.4 -6,-0.2 -1,-0.2 -0.663 38.7-132.2 -95.1 152.2 31.8 -3.8 31.5 26 27 A S + 0 0 97 -2,-0.3 -24,-0.7 2,-0.0 2,-0.3 -0.796 31.6 166.7-100.7 140.6 30.1 -4.0 34.9 27 28 A W E -a 2 0A 45 -2,-0.4 2,-0.4 -26,-0.1 -24,-0.2 -0.992 29.6-129.1-153.6 155.6 26.9 -2.0 35.6 28 29 A K E -a 3 0A 104 -26,-2.3 -24,-2.6 -2,-0.3 2,-0.5 -0.873 19.1-143.0-107.7 138.2 24.1 -1.8 38.1 29 30 A E E -a 4 0A 46 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.877 8.4-165.7-103.4 128.2 20.4 -1.8 37.1 30 31 A E E -a 5 0A 90 -26,-2.9 -24,-1.9 -2,-0.5 2,-0.4 -0.954 18.0-148.9-112.9 103.7 18.0 0.4 39.0 31 32 A V E -a 6 0A 90 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.636 8.1-161.4 -78.6 129.5 14.5 -0.9 38.0 32 33 A V - 0 0 8 -26,-2.4 2,-0.2 -2,-0.4 -2,-0.0 -0.952 11.6-153.0-110.8 117.8 11.8 1.7 37.9 33 34 A T > - 0 0 39 -2,-0.6 4,-2.5 -26,-0.2 5,-0.2 -0.492 29.1-107.8 -87.5 164.8 8.3 0.3 38.1 34 35 A V H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.825 121.2 53.5 -59.0 -32.6 5.1 1.9 36.6 35 36 A E H > S+ 0 0 135 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.983 109.5 46.4 -65.6 -55.7 4.0 2.6 40.2 36 37 A T H >> S+ 0 0 67 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.877 113.7 49.6 -52.5 -43.9 7.2 4.3 41.1 37 38 A W H >< S+ 0 0 43 -4,-2.5 3,-1.2 1,-0.2 6,-0.4 0.904 107.9 52.2 -65.1 -43.0 7.1 6.4 37.9 38 39 A Q H 3< S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.637 92.1 77.0 -69.8 -13.2 3.5 7.4 38.4 39 40 A E H << S- 0 0 126 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.833 94.7-143.1 -64.5 -33.8 4.5 8.6 41.9 40 41 A G S S+ 0 0 68 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.889 89.0 45.8 -56.4 -44.1 9.2 12.5 42.1 42 43 A L H >> S+ 0 0 33 -6,-0.4 4,-0.9 2,-0.2 3,-0.9 0.965 113.0 49.3 -63.8 -52.6 11.6 10.6 39.9 43 44 A K H >4 S+ 0 0 94 -6,-0.4 3,-1.2 1,-0.3 6,-0.3 0.905 107.9 55.9 -51.5 -46.4 10.0 12.0 36.7 44 45 A A H 3< S+ 0 0 88 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.805 107.2 48.9 -58.9 -32.7 10.2 15.5 38.1 45 46 A S H << S+ 0 0 72 -4,-1.2 2,-0.5 -3,-0.9 -1,-0.3 0.608 88.7 100.0 -83.9 -13.7 14.0 15.1 38.7 46 47 A C S X< S- 0 0 6 -3,-1.2 3,-2.2 -4,-0.9 5,-0.1 -0.655 78.0-130.9 -76.7 125.1 14.6 13.8 35.1 47 48 A L T 3 S+ 0 0 30 -2,-0.5 -1,-0.1 1,-0.3 292,-0.1 0.829 106.2 18.8 -40.6 -52.9 16.0 16.6 32.9 48 49 A Y T 3 S- 0 0 41 2,-0.3 -1,-0.3 288,-0.1 3,-0.1 0.100 114.9-105.5-109.1 20.1 13.5 15.9 30.1 49 50 A G S < S+ 0 0 12 -3,-2.2 2,-0.3 -6,-0.3 -2,-0.1 0.717 87.9 98.4 64.5 24.8 11.0 14.0 32.2 50 51 A Q - 0 0 116 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.939 61.1 -97.5-142.5 160.9 12.1 10.7 30.7 51 52 A L S S+ 0 0 19 -2,-0.3 2,-0.2 -3,-0.1 13,-0.1 -0.740 72.3 80.6-108.7 165.9 14.2 7.6 31.3 52 53 A P - 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.389 55.4-176.5 -70.3 155.6 16.8 6.1 30.8 53 54 A K E -BC 5 62A 37 -48,-1.9 -48,-3.0 9,-0.2 2,-0.4 -0.958 7.5-165.3-119.7 137.6 18.9 7.9 33.3 54 55 A F E -BC 4 61A 1 7,-2.9 7,-3.1 -2,-0.4 2,-0.4 -0.979 9.0-159.8-131.9 143.3 22.6 6.8 33.3 55 56 A Q E +BC 3 60A 59 -52,-2.3 -52,-1.7 -2,-0.4 2,-0.5 -0.985 11.8 179.0-128.0 128.7 25.4 7.4 35.8 56 57 A D E > S-BC 2 59A 41 3,-2.5 3,-2.7 -2,-0.4 -54,-0.2 -0.939 78.2 -53.0-122.3 98.8 29.0 7.2 35.2 57 58 A G T 3 S- 0 0 51 -56,-2.1 -54,-0.0 -2,-0.5 0, 0.0 -0.487 122.7 -23.6 64.1-128.1 30.6 8.1 38.5 58 59 A D T 3 S+ 0 0 145 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.300 113.5 110.3 -95.7 6.9 28.9 11.4 39.3 59 60 A L E < -C 56 0A 14 -3,-2.7 -3,-2.5 2,-0.0 2,-0.6 -0.783 53.8-163.2 -83.4 117.0 28.2 12.1 35.7 60 61 A T E -C 55 0A 46 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.907 11.1-177.7-106.4 121.9 24.4 11.9 35.2 61 62 A L E -C 54 0A 0 -7,-3.1 -7,-2.9 -2,-0.6 2,-0.3 -0.857 12.4-169.4-120.6 152.2 23.2 11.5 31.6 62 63 A Y E +C 53 0A 23 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.857 52.5 62.8-129.9 166.6 19.8 11.3 30.0 63 64 A Q S >> S- 0 0 27 -11,-0.8 4,-2.0 -2,-0.3 3,-0.9 0.783 72.7-123.1 80.1 111.8 18.9 10.4 26.3 64 65 A S H 3> S+ 0 0 8 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.850 110.3 51.0 -51.8 -42.5 19.8 6.9 25.1 65 66 A N H 3> S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.810 107.4 52.9 -69.6 -28.3 21.9 8.2 22.2 66 67 A T H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.905 110.7 48.7 -70.4 -40.1 23.9 10.5 24.4 67 68 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.944 112.0 48.2 -63.4 -46.7 24.6 7.5 26.6 68 69 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.915 113.6 47.0 -60.0 -45.5 25.6 5.5 23.6 69 70 A R H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.872 110.9 52.3 -65.0 -36.9 27.9 8.3 22.3 70 71 A H H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.943 113.0 43.5 -63.9 -47.7 29.4 8.8 25.7 71 72 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 6,-0.3 0.888 112.6 53.5 -64.4 -38.6 30.3 5.1 26.0 72 73 A G H X>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.2 4,-0.6 0.905 112.8 44.5 -63.4 -37.1 31.5 5.1 22.4 73 74 A R H <5S+ 0 0 53 -4,-2.3 3,-0.3 3,-0.2 -2,-0.2 0.931 119.1 39.8 -73.5 -45.7 33.8 8.0 23.2 74 75 A T H <5S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.808 122.2 40.7 -76.4 -30.4 35.1 6.6 26.6 75 76 A L H <5S- 0 0 45 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.427 112.9-111.2 -97.4 -0.9 35.4 3.0 25.5 76 77 A G T <5S+ 0 0 44 -4,-0.6 -3,-0.2 -3,-0.3 3,-0.2 0.885 76.1 128.9 74.7 41.3 36.8 3.7 22.0 77 78 A L < + 0 0 8 -5,-2.8 72,-2.4 -6,-0.3 73,-0.3 -0.315 44.4 94.1-119.9 47.3 33.9 2.5 19.9 78 79 A Y S S- 0 0 23 1,-0.5 -1,-0.1 -6,-0.3 70,-0.1 -0.132 95.9 -82.4-132.4 38.7 33.6 5.7 17.8 79 80 A G - 0 0 18 68,-0.3 -1,-0.5 -3,-0.2 3,-0.1 0.005 44.0 -88.4 82.3 165.7 35.7 5.0 14.7 80 81 A K S S- 0 0 130 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.643 102.7 -1.5 -88.1 -17.3 39.4 5.2 14.2 81 82 A D S > S- 0 0 69 -3,-0.1 4,-2.5 1,-0.0 5,-0.2 -0.926 89.3 -77.3-156.0-177.3 39.4 8.9 13.2 82 83 A Q H > S+ 0 0 95 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.833 123.6 54.6 -58.1 -43.5 37.1 11.9 12.6 83 84 A Q H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.953 112.9 42.4 -58.1 -48.3 35.9 10.7 9.2 84 85 A E H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.879 110.6 57.4 -65.8 -37.3 34.8 7.3 10.6 85 86 A A H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.912 106.6 49.1 -59.4 -42.4 33.3 9.1 13.6 86 87 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.899 111.6 49.1 -64.0 -40.7 31.1 11.1 11.3 87 88 A L H X S+ 0 0 46 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.884 108.0 53.6 -66.8 -38.1 30.0 8.0 9.5 88 89 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.917 110.1 48.4 -62.0 -42.5 29.2 6.2 12.8 89 90 A D H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.916 109.2 52.9 -62.7 -44.5 27.0 9.2 13.7 90 91 A M H X S+ 0 0 10 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.872 111.4 46.0 -60.5 -38.8 25.3 9.1 10.3 91 92 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 3,-0.2 0.956 113.0 49.4 -68.5 -48.6 24.5 5.4 10.8 92 93 A N H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.880 108.5 52.5 -58.9 -40.7 23.3 5.9 14.3 93 94 A D H X S+ 0 0 13 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.879 109.5 50.4 -62.4 -37.7 21.0 8.8 13.3 94 95 A G H X S+ 0 0 4 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.914 110.4 49.1 -65.5 -42.5 19.5 6.5 10.6 95 96 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.934 110.5 51.4 -61.1 -45.5 18.9 3.8 13.2 96 97 A E H X S+ 0 0 29 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.884 106.1 54.9 -59.9 -40.8 17.3 6.4 15.5 97 98 A D H X S+ 0 0 61 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.926 112.6 41.4 -60.4 -46.8 15.0 7.6 12.7 98 99 A L H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.857 110.7 58.1 -70.1 -33.7 13.7 4.1 12.1 99 100 A R H X S+ 0 0 11 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.932 103.5 53.3 -62.1 -41.3 13.5 3.4 15.8 100 101 A C H X S+ 0 0 59 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.886 109.3 48.6 -59.7 -39.8 11.2 6.3 16.2 101 102 A K H X S+ 0 0 98 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.908 112.1 49.1 -66.3 -42.2 8.9 4.9 13.5 102 103 A Y H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.944 112.3 47.4 -61.3 -49.4 8.9 1.5 15.2 103 104 A I H X S+ 0 0 43 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.913 110.9 52.4 -59.3 -42.7 8.2 3.0 18.6 104 105 A S H X>S+ 0 0 57 -4,-2.4 4,-2.6 -5,-0.2 5,-0.7 0.941 111.1 47.2 -60.2 -46.9 5.4 5.1 17.1 105 106 A L H X5S+ 0 0 7 -4,-2.6 4,-1.3 3,-0.2 -2,-0.2 0.976 113.1 48.0 -57.4 -57.0 3.9 1.9 15.5 106 107 A I H <5S+ 0 0 1 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.833 125.6 27.1 -52.4 -44.5 4.1 -0.1 18.7 107 108 A Y H <5S+ 0 0 112 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.607 127.9 39.5 -98.8 -14.0 2.6 2.5 21.0 108 109 A T H <5S- 0 0 103 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.865 132.3 -10.9-102.8 -51.0 0.4 4.5 18.6 109 110 A N X< + 0 0 69 -4,-1.3 4,-2.3 -5,-0.7 5,-0.3 -0.331 65.7 152.6-155.0 67.8 -1.3 2.1 16.1 110 111 A Y H > S+ 0 0 36 -4,-0.3 4,-1.9 3,-0.2 5,-0.1 0.968 79.0 43.7 -60.1 -58.4 0.0 -1.4 16.2 111 112 A E H 4 S+ 0 0 129 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.935 123.0 34.9 -54.7 -55.9 -3.1 -3.2 15.1 112 113 A A H 4 S+ 0 0 84 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.902 125.1 37.9 -69.8 -44.4 -4.0 -0.8 12.3 113 114 A G H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.596 85.6 93.7 -89.2 -8.6 -0.6 0.1 11.0 114 115 A K H X S+ 0 0 49 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.854 87.4 49.6 -51.7 -42.3 1.4 -3.1 11.3 115 116 A D H > S+ 0 0 106 -4,-0.3 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111.0 52.8 -67.1 -46.0 17.4 -5.5 13.4 159 160 A L H X S+ 0 0 35 -4,-2.9 4,-1.1 1,-0.3 -2,-0.2 0.877 109.9 48.0 -58.6 -41.0 16.7 -8.1 16.1 160 161 A I H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 -1,-0.3 0.806 110.1 52.0 -72.6 -26.4 13.5 -6.4 17.1 161 162 A H H X S+ 0 0 0 -4,-1.3 4,-3.5 -3,-0.3 7,-0.2 0.815 101.8 60.5 -77.4 -26.3 12.4 -6.1 13.5 162 163 A E H < S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 108.8 45.1 -64.3 -35.9 13.0 -9.9 13.1 163 164 A V H < S+ 0 0 59 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.905 115.7 45.6 -73.6 -42.9 10.5 -10.3 15.9 164 165 A L H < S+ 0 0 4 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.923 132.7 16.7 -66.2 -47.0 8.0 -7.8 14.4 165 166 A A S >< S- 0 0 11 -4,-3.5 3,-2.5 -5,-0.1 -1,-0.3 -0.730 85.0-145.5-131.7 82.0 8.3 -9.2 10.8 166 167 A P T 3 S+ 0 0 107 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.166 86.0 16.8 -48.4 129.8 9.9 -12.6 10.9 167 168 A G T > S+ 0 0 24 -5,-0.1 3,-2.4 1,-0.1 4,-0.4 0.405 80.1 130.6 85.5 -0.6 12.0 -13.1 7.8 168 169 A C T < S+ 0 0 24 -3,-2.5 3,-0.4 1,-0.3 -6,-0.1 0.759 73.7 54.5 -57.4 -23.1 12.3 -9.4 6.9 169 170 A L T > S+ 0 0 3 -4,-0.2 3,-1.7 1,-0.2 7,-0.4 0.479 80.1 92.8 -89.8 -2.1 16.1 -9.8 6.6 170 171 A D T < S+ 0 0 134 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.854 84.5 52.3 -58.4 -37.2 15.8 -12.7 4.1 171 172 A A T 3 S+ 0 0 78 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.497 101.9 68.1 -77.8 -3.7 16.0 -10.2 1.2 172 173 A F <> + 0 0 15 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 -0.734 57.0 179.4-123.1 87.9 19.2 -8.7 2.7 173 174 A P H > S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.846 83.6 47.3 -52.0 -44.4 22.2 -11.1 2.6 174 175 A L H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 113.0 46.9 -67.8 -45.5 24.7 -8.7 4.2 175 176 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 113.2 50.8 -63.4 -41.2 22.4 -7.6 7.0 176 177 A S H X S+ 0 0 43 -4,-2.7 4,-2.3 -7,-0.4 -1,-0.2 0.929 113.4 43.1 -60.9 -49.3 21.5 -11.3 7.7 177 178 A A H X S+ 0 0 50 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.877 112.8 55.5 -63.7 -38.1 25.2 -12.3 7.8 178 179 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.927 108.1 46.9 -59.6 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109.4 52.7 -68.3 -40.2 27.3 -10.8 23.5 189 190 A K H X S+ 0 0 135 -4,-3.5 4,-1.1 2,-0.2 -2,-0.2 0.929 110.1 48.2 -60.4 -47.3 26.1 -14.3 22.8 190 191 A A H >X S+ 0 0 66 -4,-2.2 4,-0.8 -5,-0.3 3,-0.5 0.934 113.3 48.2 -58.9 -47.2 26.1 -15.1 26.5 191 192 A F H >< S+ 0 0 15 -4,-2.2 3,-1.0 1,-0.2 6,-0.4 0.918 107.9 53.2 -61.5 -45.6 24.2 -11.9 27.3 192 193 A L H 3< S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.731 111.8 47.1 -63.9 -22.0 21.5 -12.4 24.7 193 194 A A H << S+ 0 0 76 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.581 92.7 104.3 -94.4 -11.8 20.8 -15.9 26.1 194 195 A S S XX S- 0 0 25 -3,-1.0 4,-2.7 -4,-0.8 3,-1.3 -0.320 79.7-120.6 -73.7 154.4 20.7 -14.8 29.7 195 196 A P H 3> S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.839 110.7 68.7 -57.9 -37.5 17.5 -14.3 31.8 196 197 A E H 34 S+ 0 0 100 2,-0.2 -4,-0.1 1,-0.1 -5,-0.1 0.794 116.6 22.3 -51.4 -36.0 18.4 -10.7 32.3 197 198 A Y H X4 S+ 0 0 22 -3,-1.3 3,-1.8 -6,-0.4 -1,-0.1 0.862 124.4 49.7 -98.3 -57.3 17.8 -10.1 28.6 198 199 A V H 3< S+ 0 0 70 -4,-2.7 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-1,-0.1 -3,-0.1 -102,-0.0 0.265 360.0 360.0-162.3 360.0 6.3 -6.6 19.7 209 !* 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 0.0 210 2 B P 0 0 124 0, 0.0 56,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-138.2 35.7 23.1 1.3 211 3 B Y E +dE 236 265B 22 24,-0.8 26,-2.7 54,-0.2 2,-0.4 -0.838 360.0 179.8-109.5 144.5 32.1 22.9 2.4 212 4 B T E -dE 237 264B 25 52,-1.8 52,-2.3 -2,-0.4 2,-0.5 -0.996 8.4-164.0-140.6 125.0 28.9 22.4 0.3 213 5 B V E -dE 238 263B 1 24,-2.7 26,-2.9 -2,-0.4 2,-0.6 -0.965 4.2-162.1-114.0 125.2 25.4 22.2 1.7 214 6 B V E +dE 239 262B 10 48,-3.0 48,-1.8 -2,-0.5 2,-0.3 -0.954 35.1 130.4-105.3 119.9 22.7 20.8 -0.7 215 7 B Y E -d 240 0B 20 24,-1.9 26,-2.4 -2,-0.6 -2,-0.0 -0.975 57.8 -81.7-162.5 168.7 19.3 21.8 0.5 216 8 B F - 0 0 52 -2,-0.3 2,-2.4 24,-0.2 26,-0.2 -0.313 58.8 -92.7 -71.4 161.0 15.9 23.2 -0.3 217 9 B P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.268 96.8 92.6 -76.3 57.7 15.5 27.0 -0.4 218 10 B V S S- 0 0 12 -2,-2.4 193,-0.2 191,-0.2 194,-0.1 -0.897 78.2-125.0-140.2 164.6 14.4 27.1 3.3 219 11 B R >> + 0 0 35 191,-2.5 3,-2.3 -2,-0.3 4,-1.0 0.964 68.5 122.2 -75.3 -57.5 16.1 27.6 6.6 220 12 B G G >4 S- 0 0 14 191,-2.8 3,-0.9 1,-0.3 4,-0.4 0.073 86.4 -8.4 36.9-129.7 14.7 24.4 8.1 221 13 B R G 34 S+ 0 0 62 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.419 133.6 60.1 -77.7 1.4 17.3 21.9 9.4 222 14 B C G <> S+ 0 0 0 -3,-2.3 4,-2.2 2,-0.1 -1,-0.2 0.558 77.8 87.0-104.9 -9.3 20.2 23.8 7.9 223 15 B A H S+ 0 0 2 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.919 112.9 46.4 -60.8 -47.8 21.8 25.9 12.7 225 17 B L H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.837 112.5 51.8 -66.7 -30.3 24.7 24.6 10.7 226 18 B R H X S+ 0 0 16 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.906 109.3 49.1 -70.5 -41.4 24.7 27.8 8.6 227 19 B M H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.901 111.4 51.5 -62.4 -39.6 24.8 29.9 11.7 228 20 B L H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.954 112.4 43.7 -61.9 -52.0 27.7 27.8 12.9 229 21 B L H <>S+ 0 0 0 -4,-2.4 5,-3.2 2,-0.2 -2,-0.2 0.936 116.4 47.8 -60.0 -47.3 29.7 28.1 9.7 230 22 B A H ><5S+ 0 0 14 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.952 113.6 46.7 -58.8 -51.2 29.0 31.9 9.5 231 23 B D H 3<5S+ 0 0 14 -4,-3.0 -1,-0.2 1,-0.3 165,-0.2 0.810 111.0 51.6 -63.7 -31.7 29.9 32.5 13.1 232 24 B Q T 3<5S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.277 116.3-114.9 -87.6 9.6 33.1 30.4 12.9 233 25 B G T < 5 + 0 0 47 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.838 62.6 155.7 62.3 34.8 34.1 32.5 9.8 234 26 B Q < - 0 0 69 -5,-3.2 2,-0.4 -6,-0.2 -1,-0.2 -0.668 38.6-131.8 -95.7 152.1 33.9 29.4 7.5 235 27 B S + 0 0 97 -2,-0.3 -24,-0.8 2,-0.0 2,-0.3 -0.821 31.7 166.7-101.2 138.1 33.3 29.5 3.8 236 28 B W E -d 211 0B 49 -2,-0.4 2,-0.4 -26,-0.1 -24,-0.2 -0.991 29.7-129.5-151.7 155.8 30.7 27.3 2.2 237 29 B K E -d 212 0B 106 -26,-2.7 -24,-2.7 -2,-0.3 2,-0.5 -0.875 19.2-143.0-107.8 138.1 28.8 26.8 -1.1 238 30 B E E -d 213 0B 47 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.881 8.4-165.8-103.0 128.9 25.1 26.4 -1.3 239 31 B E E -d 214 0B 92 -26,-2.9 -24,-1.9 -2,-0.5 2,-0.4 -0.946 18.0-149.2-114.1 103.0 23.5 24.1 -3.8 240 32 B V E -d 215 0B 91 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.621 7.5-160.6 -78.9 129.1 19.9 24.9 -3.9 241 33 B V - 0 0 9 -26,-2.4 2,-0.2 -2,-0.4 -2,-0.0 -0.951 11.5-151.7-110.4 118.7 17.5 22.1 -4.7 242 34 B T > - 0 0 39 -2,-0.6 4,-2.8 -26,-0.2 5,-0.2 -0.558 28.8-108.8 -88.8 160.7 14.1 23.2 -6.0 243 35 B V H > S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.847 121.4 53.1 -54.5 -34.3 10.9 21.3 -5.6 244 36 B E H > S+ 0 0 133 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.982 109.4 46.1 -63.8 -57.8 11.0 20.6 -9.3 245 37 B T H >> S+ 0 0 68 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.882 114.1 49.7 -51.7 -44.2 14.5 19.1 -9.2 246 38 B W H >< S+ 0 0 45 -4,-2.8 3,-1.6 1,-0.2 6,-0.4 0.941 107.8 52.1 -63.8 -46.9 13.6 17.1 -6.1 247 39 B Q H 3< S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.622 92.0 77.0 -66.6 -13.0 10.4 15.6 -7.7 248 40 B E H << S- 0 0 126 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.841 94.8-143.0 -64.9 -34.2 12.5 14.6 -10.7 249 41 B G S S+ 0 0 66 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.869 88.8 45.4 -57.5 -43.3 17.4 11.2 -9.4 251 43 B L H >> S+ 0 0 30 -6,-0.4 3,-1.4 2,-0.2 4,-1.1 0.974 112.3 50.4 -64.8 -54.3 18.8 13.2 -6.5 252 44 B K H >4 S+ 0 0 94 -6,-0.4 3,-1.1 1,-0.3 6,-0.3 0.899 107.9 55.9 -48.6 -46.2 16.5 11.7 -3.9 253 45 B A H 3< S+ 0 0 85 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.750 106.8 48.4 -59.4 -31.5 17.5 8.2 -5.2 254 46 B S H << S+ 0 0 69 -3,-1.4 2,-0.4 -4,-1.0 -1,-0.3 0.604 89.3 100.0 -86.4 -13.9 21.2 9.0 -4.6 255 47 B C S X< S- 0 0 7 -4,-1.1 3,-2.0 -3,-1.1 5,-0.1 -0.643 77.8-130.9 -76.7 127.9 20.5 10.3 -1.0 256 48 B L T 3 S+ 0 0 32 -2,-0.4 -1,-0.1 1,-0.3 -126,-0.1 0.826 105.7 18.5 -42.9 -52.5 21.3 7.6 1.6 257 49 B Y T 3 S- 0 0 42 2,-0.3 -1,-0.3 -130,-0.1 3,-0.1 0.099 114.0-105.9-109.9 20.4 18.1 8.0 3.5 258 50 B G S < S+ 0 0 13 -3,-2.0 2,-0.3 -6,-0.3 -2,-0.1 0.723 87.7 98.7 64.1 25.3 16.2 9.7 0.6 259 51 B Q - 0 0 117 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.940 61.1 -96.8-142.4 160.4 16.4 13.1 2.3 260 52 B L S S+ 0 0 18 -2,-0.3 2,-0.2 -3,-0.1 13,-0.1 -0.741 72.5 80.0-108.3 165.7 18.3 16.4 2.5 261 53 B P - 0 0 3 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.387 55.3-176.3 -70.8 156.7 20.4 18.1 3.7 262 54 B K E -EF 214 271B 37 -48,-1.8 -48,-3.0 9,-0.2 2,-0.4 -0.963 7.5-165.2-119.9 137.4 23.4 16.6 2.0 263 55 B F E -EF 213 270B 1 7,-2.9 7,-3.2 -2,-0.4 2,-0.4 -0.976 9.1-161.3-131.8 143.4 26.8 18.0 3.1 264 56 B Q E +EF 212 269B 59 -52,-2.3 -52,-1.8 -2,-0.4 2,-0.4 -0.985 11.3 177.6-128.3 132.3 30.2 17.7 1.6 265 57 B D E > S-EF 211 268B 41 3,-2.6 3,-2.4 -2,-0.4 2,-0.3 -0.923 77.0 -50.5-129.3 99.2 33.5 18.4 3.3 266 58 B G T 3 S- 0 0 55 -56,-1.9 -54,-0.0 -2,-0.4 0, 0.0 -0.518 122.8 -25.3 67.7-126.6 36.2 17.6 0.8 267 59 B D T 3 S+ 0 0 144 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.218 114.4 108.6-102.0 12.2 35.2 14.2 -0.5 268 60 B L E < -F 265 0B 15 -3,-2.4 -3,-2.6 2,-0.0 2,-0.5 -0.827 53.7-163.6 -88.7 123.5 33.4 13.3 2.7 269 61 B T E -F 264 0B 48 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.957 10.2-177.1-111.9 128.8 29.7 13.2 2.0 270 62 B L E -F 263 0B 0 -7,-3.2 -7,-2.9 -2,-0.5 2,-0.3 -0.898 12.7-168.2-127.0 153.3 27.3 13.3 5.0 271 63 B Y E +F 262 0B 24 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.852 53.4 62.7-129.8 166.7 23.5 13.2 5.5 272 64 B Q S >> S- 0 0 28 -11,-0.8 4,-2.0 -2,-0.3 3,-0.9 0.784 72.7-123.2 80.2 111.8 21.4 14.0 8.6 273 65 B S H 3> S+ 0 0 7 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.858 110.3 51.0 -51.6 -43.0 21.6 17.5 10.0 274 66 B N H 3> S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.809 107.5 52.9 -68.8 -28.8 22.8 16.4 13.5 275 67 B T H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.904 110.7 48.6 -70.1 -40.0 25.6 14.3 12.0 276 68 B I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.945 112.0 48.5 -63.9 -47.0 26.7 17.4 10.1 277 69 B L H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.917 113.6 46.7 -59.1 -46.0 26.5 19.5 13.3 278 70 B R H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.879 111.0 52.4 -64.8 -37.6 28.5 16.9 15.2 279 71 B H H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.941 113.1 43.5 -63.7 -47.2 31.1 16.6 12.4 280 72 B L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 6,-0.3 0.888 112.6 53.4 -65.2 -38.5 31.6 20.3 12.4 281 73 B G H X>S+ 0 0 0 -4,-2.5 5,-2.8 -5,-0.2 4,-0.6 0.905 112.9 44.5 -63.2 -37.2 31.7 20.4 16.2 282 74 B R H <5S+ 0 0 55 -4,-2.3 3,-0.3 3,-0.2 -2,-0.2 0.928 119.0 39.8 -73.6 -45.2 34.3 17.8 16.2 283 75 B T H <5S+ 0 0 43 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.808 122.4 40.5 -77.1 -30.2 36.5 19.3 13.4 284 76 B L H <5S- 0 0 44 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.414 112.9-111.6 -97.5 -1.0 36.1 22.9 14.5 285 77 B G T <5S+ 0 0 44 -4,-0.6 -3,-0.2 -3,-0.3 3,-0.2 0.883 75.7 129.1 74.6 41.5 36.4 22.3 18.2 286 78 B L < + 0 0 8 -5,-2.8 72,-2.5 -6,-0.3 73,-0.3 -0.319 44.5 94.4-120.0 48.6 32.9 23.1 19.3 287 79 B Y S S- 0 0 21 1,-0.5 -1,-0.1 -6,-0.3 70,-0.1 -0.126 95.7 -82.5-133.2 38.0 32.3 19.9 21.2 288 80 B G - 0 0 18 68,-0.3 -1,-0.5 -3,-0.2 3,-0.1 0.007 43.8 -88.2 82.6 165.4 33.2 20.8 24.8 289 81 B K S S- 0 0 129 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.638 102.6 -1.7 -87.3 -16.9 36.6 20.9 26.5 290 82 B D S > S- 0 0 71 -3,-0.1 4,-2.5 1,-0.0 5,-0.2 -0.926 89.0 -77.2-156.5-176.3 36.5 17.2 27.5 291 83 B Q H > S+ 0 0 93 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.838 123.7 54.3 -59.7 -43.5 34.5 14.0 27.4 292 84 B Q H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.955 113.0 42.5 -58.6 -48.0 32.2 15.0 30.2 293 85 B E H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.881 110.6 57.3 -65.8 -37.7 31.3 18.3 28.5 294 86 B A H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.915 106.6 49.1 -59.3 -42.2 31.0 16.4 25.2 295 87 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.896 111.7 49.0 -64.1 -40.2 28.4 14.1 26.8 296 88 B L H X S+ 0 0 45 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.882 108.0 53.5 -67.5 -38.6 26.5 17.2 28.1 297 89 B V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.917 110.3 48.4 -61.4 -42.9 26.6 18.9 24.7 298 90 B D H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.909 109.1 53.0 -62.3 -44.7 25.1 15.7 23.1 299 91 B M H X S+ 0 0 8 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.869 111.4 46.1 -60.3 -38.3 22.4 15.6 25.8 300 92 B V H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 3,-0.2 0.958 112.9 49.4 -69.2 -48.8 21.5 19.2 25.1 301 93 B N H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.885 108.5 52.7 -58.3 -41.1 21.4 18.6 21.3 302 94 B D H X S+ 0 0 13 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.881 109.5 50.2 -62.0 -38.1 19.2 15.5 21.7 303 95 B G H X S+ 0 0 5 -4,-1.4 4,-1.9 -3,-0.2 -2,-0.2 0.910 110.4 49.2 -65.8 -41.9 16.8 17.6 23.7 304 96 B V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.938 110.7 51.2 -61.4 -45.8 16.8 20.3 21.0 305 97 B E H X S+ 0 0 27 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.876 106.2 54.9 -59.8 -40.4 16.2 17.6 18.4 306 98 B D H X S+ 0 0 59 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.928 112.6 41.3 -60.5 -47.0 13.3 16.2 20.3 307 99 B L H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.856 110.7 58.3 -70.1 -33.8 11.5 19.5 20.5 308 100 B R H X S+ 0 0 10 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.931 103.2 53.2 -61.8 -41.8 12.4 20.3 16.9 309 101 B C H X S+ 0 0 58 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.885 109.4 48.7 -59.4 -40.1 10.6 17.1 15.8 310 102 B K H X S+ 0 0 97 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.907 112.0 48.9 -65.9 -42.4 7.5 18.2 17.6 311 103 B Y H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.940 112.3 47.5 -61.5 -48.9 7.7 21.7 16.0 312 104 B I H X S+ 0 0 44 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.913 110.8 52.4 -59.7 -42.6 8.2 20.1 12.5 313 105 B S H X>S+ 0 0 58 -4,-2.4 4,-2.6 -5,-0.2 5,-0.7 0.938 111.0 47.3 -60.3 -46.5 5.3 17.8 13.1 314 106 B L H X5S+ 0 0 7 -4,-2.5 4,-1.3 3,-0.2 -2,-0.2 0.978 113.1 48.0 -57.7 -56.7 3.1 20.8 14.1 315 107 B I H <5S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.843 125.7 27.0 -52.4 -44.6 4.1 22.9 11.1 316 108 B Y H <5S+ 0 0 113 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.609 127.9 39.6 -99.3 -13.7 3.6 20.1 8.5 317 109 B T H <5S- 0 0 106 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.863 132.3 -11.0-102.8 -51.2 1.0 18.0 10.2 318 110 B N X< + 0 0 69 -4,-1.3 4,-2.4 -5,-0.7 5,-0.3 -0.327 65.8 152.7-154.7 67.8 -1.6 20.1 11.9 319 111 B Y H > S+ 0 0 36 -4,-0.3 4,-1.9 3,-0.2 5,-0.1 0.966 79.0 43.6 -60.2 -58.0 -0.6 23.8 12.2 320 112 B E H 4 S+ 0 0 131 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.935 123.0 35.0 -55.0 -55.5 -4.2 25.2 12.3 321 113 B A H 4 S+ 0 0 85 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.902 125.1 37.7 -70.0 -44.6 -5.7 22.7 14.7 322 114 B G H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.592 85.6 93.8 -89.5 -8.3 -2.7 22.0 17.0 323 115 B K H X S+ 0 0 49 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.850 87.5 49.5 -52.0 -41.7 -1.1 25.5 17.3 324 116 B D H > S+ 0 0 106 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.951 112.2 44.5 -65.4 -51.5 -2.9 26.3 20.5 325 117 B D H > S+ 0 0 109 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.893 113.5 53.6 -60.6 -38.3 -2.2 23.1 22.4 326 118 B Y H X S+ 0 0 31 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.938 108.9 46.2 -61.8 -51.2 1.4 23.3 21.3 327 119 B V H < S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.4 55.4 -61.5 -35.0 2.0 26.9 22.5 328 120 B K H < S+ 0 0 152 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.893 111.7 42.9 -64.1 -40.4 0.2 25.9 25.8 329 121 B A H >X S+ 0 0 54 -4,-1.9 4,-1.2 1,-0.2 3,-0.6 0.637 91.7 92.6 -80.2 -14.6 2.7 23.0 26.3 330 122 B L H >X S+ 0 0 3 -4,-1.2 4,-2.1 1,-0.2 3,-0.7 0.866 76.3 57.1 -48.0 -52.2 5.7 25.1 25.2 331 123 B P H 3> S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.898 105.9 52.1 -51.1 -41.1 6.8 26.4 28.7 332 124 B G H <4 S+ 0 0 49 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.862 110.8 47.9 -63.5 -34.6 7.2 22.8 29.9 333 125 B Q H << S+ 0 0 65 -4,-1.2 4,-0.3 -3,-0.7 -1,-0.2 0.773 113.3 47.1 -75.3 -31.0 9.4 22.0 26.9 334 126 B L H >X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 3,-0.7 0.723 92.4 80.0 -84.5 -22.0 11.5 25.1 27.4 335 127 B K H 3X S+ 0 0 136 -4,-1.8 4,-2.7 -5,-0.3 3,-0.3 0.878 83.3 60.6 -54.5 -44.7 12.1 24.7 31.1 336 128 B P H 3> S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.884 106.8 47.5 -52.9 -38.3 14.8 22.0 30.8 337 129 B F H <> S+ 0 0 2 -3,-0.7 4,-2.2 -4,-0.3 -2,-0.2 0.858 109.2 51.8 -72.9 -34.3 17.0 24.5 28.9 338 130 B E H X S+ 0 0 26 -4,-1.4 4,-2.4 -3,-0.3 -1,-0.2 0.914 112.3 49.2 -65.5 -40.2 16.4 27.3 31.3 339 131 B T H X S+ 0 0 53 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.914 108.6 50.3 -64.3 -47.5 17.5 24.8 34.0 340 132 B L H < S+ 0 0 19 -4,-2.4 4,-0.3 1,-0.2 3,-0.2 0.931 112.1 49.6 -57.0 -44.8 20.7 23.7 32.2 341 133 B L H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 6,-1.5 0.922 106.9 53.9 -61.0 -46.5 21.6 27.3 31.8 342 134 B S H 3X S+ 0 0 59 -4,-2.4 4,-0.8 1,-0.3 -1,-0.2 0.831 106.9 52.9 -60.4 -31.4 21.0 28.1 35.5 343 135 B Q T 3< S+ 0 0 143 -4,-1.7 2,-0.6 -3,-0.2 -1,-0.3 0.472 97.5 73.9 -83.6 -1.8 23.4 25.3 36.4 344 136 B N T X>>S- 0 0 25 -3,-1.8 3,-1.7 -4,-0.3 5,-0.6 -0.838 130.1 -48.5-117.0 93.9 26.2 26.6 34.2 345 137 B Q G >45S- 0 0 108 -2,-0.6 3,-1.5 1,-0.3 -2,-0.1 0.883 106.9 -61.7 49.6 42.2 27.8 29.7 35.7 346 138 B G G 3<5S- 0 0 46 -4,-0.8 -1,-0.3 1,-0.3 -4,-0.2 0.769 91.3 -66.3 58.4 29.6 24.3 31.2 36.3 347 139 B G G <45S+ 0 0 3 -3,-1.7 -1,-0.3 -6,-1.5 -2,-0.2 0.731 103.7 126.1 64.9 27.3 23.5 31.2 32.6 348 140 B K T <<5S+ 0 0 153 -3,-1.5 -3,-0.1 -4,-0.5 -2,-0.1 0.665 73.7 21.0 -88.3 -23.0 26.1 33.8 31.9 349 141 B T S S- 0 0 12 3,-0.3 3,-0.5 -8,-0.0 -1,-0.2 -0.993 123.0 -26.0-138.6 125.9 27.6 23.8 28.3 353 145 B G T 3 S- 0 0 8 -2,-0.4 -3,-0.9 1,-0.2 -4,-0.1 -0.202 89.1 -66.6 72.1-161.2 30.9 25.0 29.6 354 146 B D T 3 S+ 0 0 102 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.193 110.4 68.3-116.1 14.0 32.5 28.4 28.9 355 147 B Q S < S- 0 0 66 -3,-0.5 -3,-0.3 -6,-0.0 -66,-0.1 -0.945 91.1 -97.8-130.2 150.0 33.1 28.0 25.2 356 148 B I - 0 0 13 -2,-0.3 -68,-0.3 -6,-0.1 2,-0.3 -0.342 40.5-168.6 -69.1 147.8 30.5 27.8 22.4 357 149 B S >> - 0 0 1 -70,-0.1 3,-1.2 -4,-0.1 4,-1.0 -0.871 39.4-101.5-130.7 169.1 29.4 24.4 21.1 358 150 B F H 3> S+ 0 0 0 -72,-2.5 4,-1.8 -2,-0.3 5,-0.1 0.822 120.4 63.7 -61.3 -28.9 27.4 23.1 18.1 359 151 B A H 3> S+ 0 0 0 -73,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.828 94.5 60.6 -63.7 -32.2 24.5 22.6 20.5 360 152 B D H <> S+ 0 0 0 -3,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.934 106.0 45.7 -61.7 -45.7 24.4 26.4 21.2 361 153 B Y H X S+ 0 0 1 -4,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.904 113.9 48.8 -65.5 -39.2 23.7 27.1 17.5 362 154 B N H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.939 114.5 45.1 -66.8 -43.9 21.1 24.4 17.3 363 155 B L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.910 110.8 54.2 -65.8 -41.9 19.4 25.7 20.5 364 156 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.949 109.9 47.2 -57.2 -48.5 19.6 29.3 19.3 365 157 B D H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.938 110.3 52.3 -57.6 -48.7 17.9 28.4 16.1 366 158 B L H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.901 112.4 45.9 -55.4 -42.6 15.2 26.4 18.0 367 159 B L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.916 111.1 51.7 -68.2 -43.5 14.5 29.4 20.2 368 160 B L H X S+ 0 0 33 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.925 110.1 48.0 -61.3 -44.5 14.4 32.0 17.4 369 161 B I H X S+ 0 0 6 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.776 110.5 52.3 -69.7 -24.9 11.9 30.0 15.4 370 162 B H H X S+ 0 0 0 -4,-1.2 4,-3.6 -5,-0.3 -1,-0.2 0.809 101.6 59.9 -77.9 -28.6 9.7 29.6 18.5 371 163 B E H < S+ 0 0 67 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.853 108.5 46.0 -61.9 -37.8 9.8 33.3 19.0 372 164 B V H < S+ 0 0 60 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.879 115.6 45.3 -72.3 -39.9 8.2 33.6 15.6 373 165 B L H < S+ 0 0 5 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.2 0.929 132.8 16.3 -69.3 -47.3 5.7 30.8 16.3 374 166 B A S >< S- 0 0 10 -4,-3.6 3,-2.5 -5,-0.1 -1,-0.3 -0.733 84.5-145.7-131.6 81.8 4.8 32.1 19.8 375 167 B P T 3 S+ 0 0 109 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.176 86.0 17.0 -48.8 129.8 5.9 35.8 20.2 376 168 B G T > S+ 0 0 27 -5,-0.1 3,-2.5 1,-0.0 4,-0.4 0.399 80.2 130.5 86.0 -1.2 6.9 36.4 23.8 377 169 B C T < S+ 0 0 26 -3,-2.5 3,-0.4 1,-0.3 -6,-0.1 0.756 73.8 54.4 -57.2 -23.0 7.3 32.7 24.7 378 170 B L T > S+ 0 0 2 -4,-0.2 3,-1.6 1,-0.2 7,-0.4 0.468 80.1 93.0 -90.0 -1.8 10.7 33.5 26.2 379 171 B D T < S+ 0 0 132 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.859 84.5 52.0 -58.6 -37.7 9.4 36.3 28.5 380 172 B A T 3 S+ 0 0 79 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.510 101.8 68.6 -77.3 -4.5 9.0 33.8 31.3 381 173 B F <> + 0 0 14 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 -0.729 57.0 179.4-122.1 88.0 12.6 32.6 30.9 382 174 B P H > S+ 0 0 86 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.843 83.4 47.3 -52.2 -44.0 15.1 35.3 31.9 383 175 B L H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.934 113.0 46.8 -68.4 -45.0 18.2 33.1 31.2 384 176 B L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.919 113.2 50.9 -63.6 -41.3 17.0 31.9 27.8 385 177 B S H X S+ 0 0 42 -4,-2.7 4,-2.3 -7,-0.4 -1,-0.2 0.931 113.3 43.1 -60.9 -49.0 16.1 35.4 26.8 386 178 B A H X S+ 0 0 48 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.881 112.6 55.5 -63.8 -38.9 19.4 36.9 27.8 387 179 B Y H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.928 108.2 46.9 -58.8 -49.2 21.1 33.9 26.2 388 180 B V H X S+ 0 0 18 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.948 113.9 47.9 -60.7 -47.1 19.4 34.6 22.9 389 181 B G H X S+ 0 0 45 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.903 113.1 48.7 -60.5 -40.9 20.3 38.3 23.0 390 182 B R H >< S+ 0 0 86 -4,-2.8 3,-0.6 1,-0.2 4,-0.2 0.921 115.4 41.5 -66.7 -47.7 23.9 37.5 23.9 391 183 B L H >< S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.860 110.3 58.0 -70.1 -35.5 24.4 35.0 21.1 392 184 B S H 3< S+ 0 0 29 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.665 101.2 59.8 -66.0 -17.4 22.5 37.0 18.6 393 185 B A T << S+ 0 0 62 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.481 70.9 121.2 -89.5 -7.0 25.0 39.8 19.3 394 186 B R S <> S- 0 0 71 -3,-1.4 4,-3.4 -4,-0.2 5,-0.3 -0.446 71.6-122.5 -59.4 130.7 28.1 37.9 18.3 395 187 B P H > S+ 0 0 110 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.860 105.0 35.7 -38.9 -66.9 29.7 40.0 15.4 396 188 B K H > S+ 0 0 120 1,-0.2 4,-2.2 -165,-0.2 5,-0.1 0.884 120.4 48.8 -62.6 -39.3 29.8 37.4 12.6 397 189 B L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 109.4 52.7 -68.4 -40.1 26.5 35.8 13.6 398 190 B K H X S+ 0 0 133 -4,-3.4 4,-1.1 2,-0.2 -2,-0.2 0.928 110.1 48.3 -60.7 -47.0 24.8 39.2 13.9 399 191 B A H >X S+ 0 0 65 -4,-2.2 4,-0.8 -5,-0.3 3,-0.6 0.938 113.2 48.2 -59.0 -47.4 25.9 40.1 10.4 400 192 B F H >< S+ 0 0 15 -4,-2.2 3,-1.0 1,-0.2 6,-0.4 0.915 107.7 53.4 -61.1 -45.6 24.7 36.7 9.1 401 193 B L H 3< S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.732 111.7 47.2 -64.0 -21.7 21.2 36.9 10.7 402 194 B A H << S+ 0 0 77 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.571 92.6 104.5 -94.7 -11.3 20.7 40.3 9.1 403 195 B S S XX S- 0 0 25 -3,-1.0 4,-2.8 -4,-0.8 3,-1.2 -0.324 79.6-120.9 -74.1 154.4 21.8 39.2 5.6 404 196 B P H 3> S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.843 110.7 68.5 -57.8 -38.1 19.4 38.5 2.7 405 197 B E H 34 S+ 0 0 98 2,-0.2 -4,-0.1 1,-0.1 -5,-0.1 0.804 116.9 22.3 -50.7 -36.2 20.8 35.0 2.6 406 198 B Y H X4 S+ 0 0 23 -3,-1.2 3,-1.8 -6,-0.4 -1,-0.1 0.871 124.4 49.6 -98.3 -57.0 19.2 34.3 5.9 407 199 B V H 3< S+ 0 0 69 -4,-2.8 -2,-0.2 -7,-0.3 -4,-0.1 0.824 108.8 53.0 -55.2 -38.0 16.3 36.8 6.2 408 200 B N T 3< S+ 0 0 123 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.272 90.2 90.6 -87.6 14.0 14.9 36.1 2.7 409 201 B L S < S- 0 0 42 -3,-1.8 -191,-0.2 -5,-0.1 2,-0.1 -0.875 81.7-118.3-107.2 136.0 14.6 32.4 3.2 410 202 B P - 0 0 61 0, 0.0 -191,-2.5 0, 0.0 -190,-0.3 -0.472 16.6-130.9 -71.3 149.7 11.3 31.0 4.5 411 203 B I S S+ 0 0 6 -193,-0.2 -191,-2.8 -192,-0.2 2,-0.2 0.958 89.0 20.4 -63.1 -49.2 11.7 29.2 7.9 412 204 B N S > S- 0 0 9 4,-0.3 3,-0.7 -193,-0.2 -193,-0.1 -0.735 78.7-117.4-118.3 167.0 9.7 26.2 6.6 413 205 B G T 3 S+ 0 0 53 -2,-0.2 -1,-0.0 1,-0.2 -2,-0.0 0.650 107.0 55.4 -79.1 -15.6 8.8 24.8 3.2 414 206 B N T 3 S- 0 0 57 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.260 110.1-111.4-102.0 11.9 5.0 25.1 3.6 415 207 B G S < S+ 0 0 63 -3,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.426 79.4 124.5 76.6 -3.5 5.0 28.8 4.3 416 208 B K 0 0 61 1,-0.1 -4,-0.3 -101,-0.1 -1,-0.3 -0.663 360.0 360.0 -91.6 145.7 3.8 28.2 7.9 417 209 B Q 0 0 99 -2,-0.3 -1,-0.1 -3,-0.1 -102,-0.0 0.262 360.0 360.0-162.7 360.0 5.8 29.6 10.8