==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE, OXYGEN TRANSPORT 03-AUG-09 3A59 . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA-A; . SOURCE 2 ORGANISM_SCIENTIFIC: STRUTHIO CAMELUS; . AUTHOR S.M.JAIMOHAN,M.D.NARESH,A.B.MANDAL . 1148 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 956 83.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 29 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 257 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 635 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.3 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 5 2 4 0 1 3 0 4 2 1 6 7 4 3 7 8 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 V 0 0 142 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-137.2 1.5 7.8 22.6 2 2 A L - 0 0 18 71,-0.1 2,-0.2 125,-0.1 428,-0.0 -0.537 360.0-142.7 -78.6 148.9 -1.2 10.4 23.1 3 3 A S > - 0 0 42 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.569 27.5 -98.9-111.2 171.9 -0.1 13.7 24.6 4 4 A G H > S+ 0 0 59 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.935 131.9 41.7 -53.3 -49.5 -1.5 16.3 27.0 5 5 A T H > S+ 0 0 93 2,-0.1 4,-1.3 3,-0.1 -1,-0.2 0.994 115.6 54.5 -52.9 -61.8 -2.4 18.3 24.0 6 6 A D H >> S+ 0 0 11 1,-0.2 3,-2.3 2,-0.2 4,-1.7 0.883 106.5 44.3 -40.6 -76.0 -3.6 15.1 22.3 7 7 A K H 3X S+ 0 0 43 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.867 111.7 54.5 -40.2 -54.3 -6.0 13.7 24.9 8 8 A T H 3X S+ 0 0 97 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.3 0.739 110.0 47.8 -56.2 -27.0 -7.7 17.1 25.4 9 9 A N H - 0 0 42 -3,-0.3 2,-5.2 -4,-0.2 3,-0.9 0.565 32.4 -74.5-117.0-153.2 -22.6 15.0 19.2 19 19 A S T > S+ 0 0 106 1,-0.3 3,-0.8 -4,-0.2 -3,-0.0 0.631 106.9 105.5 -19.2 -1.9 -25.3 12.6 20.3 20 20 A H T 3> + 0 0 65 -2,-5.2 4,-2.1 1,-0.3 -1,-0.3 0.512 34.5 120.2 -66.9 -4.1 -24.9 12.2 16.6 21 21 A A H <> + 0 0 10 -3,-0.9 4,-2.2 1,-0.2 5,-0.5 0.803 69.1 55.5 -22.9 -59.0 -23.1 8.9 17.4 22 22 A E H <> S+ 0 0 94 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.934 113.0 32.5 -48.5 -75.4 -25.7 7.1 15.3 23 23 A E H > S+ 0 0 99 1,-0.2 4,-4.2 2,-0.2 5,-0.2 0.811 118.0 56.9 -56.3 -33.9 -25.6 8.7 11.9 24 24 A Y H X S+ 0 0 17 -4,-2.1 4,-1.8 2,-0.3 -1,-0.2 0.965 111.8 37.1 -68.5 -57.2 -21.9 9.5 12.1 25 25 A G H X S+ 0 0 7 -4,-2.2 4,-2.2 -5,-0.3 5,-0.2 0.906 121.1 54.1 -55.5 -37.3 -20.6 6.0 12.6 26 26 A A H X S+ 0 0 16 -4,-2.2 4,-1.4 -5,-0.5 -2,-0.3 0.916 109.4 42.1 -66.1 -48.8 -23.4 5.1 10.3 27 27 A E H X S+ 0 0 37 -4,-4.2 4,-2.1 1,-0.2 -1,-0.2 0.748 114.6 56.0 -68.6 -22.4 -22.4 7.5 7.5 28 28 A T H X S+ 0 0 3 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.869 106.5 45.9 -79.5 -39.7 -18.8 6.4 8.1 29 29 A L H < S+ 0 0 8 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.792 115.2 50.1 -73.3 -29.1 -19.2 2.7 7.6 30 30 A E H >X S+ 0 0 48 -4,-1.4 3,-4.5 -5,-0.2 4,-1.4 0.989 107.2 50.5 -68.2 -63.8 -21.3 3.4 4.5 31 31 A R H 3X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.3 5,-0.5 0.846 108.5 56.3 -39.1 -39.9 -18.8 5.7 2.9 32 32 A M H 3< S+ 0 0 14 -4,-1.4 -1,-0.3 1,-0.2 7,-0.3 0.633 102.3 56.4 -72.0 -14.7 -16.3 2.9 3.6 33 33 A F H <4 S+ 0 0 23 -3,-4.5 7,-0.2 -4,-0.2 -1,-0.2 0.860 117.6 30.3 -82.5 -39.8 -18.5 0.5 1.6 34 34 A I H < S+ 0 0 64 -4,-1.4 -2,-0.2 -3,-0.1 -3,-0.1 0.943 122.1 46.0 -84.4 -56.9 -18.5 2.5 -1.6 35 35 A T S < S+ 0 0 8 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.920 131.3 25.9 -53.2 -44.2 -15.1 4.3 -1.5 36 36 A Y > + 0 0 8 -5,-0.5 3,-0.8 -4,-0.3 -1,-0.3 -0.831 69.3 168.1-124.7 90.3 -13.6 0.9 -0.5 37 37 A P G >> S+ 0 0 63 0, 0.0 3,-4.6 0, 0.0 4,-0.5 0.912 71.8 72.6 -66.5 -46.5 -15.7 -2.0 -1.8 38 38 A Q G >4 S+ 0 0 68 1,-0.3 3,-0.6 2,-0.2 4,-0.1 0.747 89.2 67.9 -41.9 -22.1 -13.1 -4.6 -1.1 39 39 A T G X4 S+ 0 0 4 -3,-0.8 3,-0.8 -7,-0.3 -1,-0.3 0.582 81.8 73.0 -78.9 -9.2 -14.2 -3.9 2.5 40 40 A K G X4 S+ 0 0 101 -3,-4.6 3,-3.4 -7,-0.2 -1,-0.2 0.833 74.2 82.7 -68.7 -33.7 -17.7 -5.4 1.9 41 41 A T G << S+ 0 0 61 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.705 84.2 60.1 -46.0 -25.4 -16.2 -8.9 1.8 42 42 A Y G < S+ 0 0 24 -3,-0.8 -1,-0.3 1,-0.2 3,-0.2 0.668 100.7 56.1 -80.3 -16.1 -16.3 -9.0 5.7 43 43 A F < + 0 0 43 -3,-3.4 -1,-0.2 1,-0.2 -2,-0.1 -0.542 55.4 140.1-118.9 66.4 -20.1 -8.5 5.8 44 44 A P S S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.926 80.2 48.0 -71.7 -44.7 -21.7 -11.3 3.8 45 45 A H S S+ 0 0 130 -3,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.616 99.9 95.5 -68.5 -14.6 -24.5 -11.7 6.3 46 46 A F S S- 0 0 33 -6,-0.2 2,-0.5 -3,-0.1 -3,-0.1 -0.533 73.8-132.9 -81.9 141.9 -25.0 -7.9 6.2 47 47 A D - 0 0 54 -2,-0.2 8,-0.5 1,-0.1 5,-0.1 -0.830 20.4-170.6 -85.5 132.5 -27.5 -6.0 4.1 48 48 A L + 0 0 50 -2,-0.5 2,-0.7 6,-0.1 3,-0.1 -0.260 33.8 132.5-124.7 45.1 -25.7 -3.1 2.5 49 49 A H S S- 0 0 136 1,-0.2 3,-0.2 2,-0.0 6,-0.1 -0.864 76.3 -86.7 -97.5 109.5 -28.4 -1.0 1.0 50 50 A H S S+ 0 0 159 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.281 120.2 13.6 -6.2 142.1 -28.0 2.6 1.9 51 51 A G S S+ 0 0 32 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.739 89.2 177.8 48.7 30.2 -29.8 3.1 5.2 52 52 A S > - 0 0 4 -3,-0.2 4,-1.9 1,-0.1 -1,-0.2 -0.498 39.4-120.9 -64.8 126.2 -29.9 -0.7 5.7 53 53 A A H > S+ 0 0 81 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.819 109.6 48.2 -31.8 -49.6 -31.5 -1.4 9.1 54 54 A Q H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.942 101.3 55.0 -66.9 -58.6 -28.4 -3.2 10.1 55 55 A I H > S+ 0 0 3 -8,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.880 107.6 60.1 -45.3 -37.0 -25.5 -0.9 9.1 56 56 A K H X S+ 0 0 135 -4,-1.9 4,-1.4 2,-0.2 3,-0.5 0.980 107.5 40.2 -48.3 -66.1 -27.6 1.4 11.3 57 57 A A H X S+ 0 0 61 -4,-1.4 4,-0.6 1,-0.3 -2,-0.2 0.834 116.6 48.8 -58.8 -39.9 -27.3 -0.8 14.4 58 58 A H H X S+ 0 0 53 -4,-2.5 4,-3.1 1,-0.2 -1,-0.3 0.816 106.2 60.0 -68.7 -30.7 -23.6 -1.7 13.9 59 59 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -3,-0.5 -2,-0.2 0.823 105.6 44.8 -69.2 -35.6 -22.8 2.0 13.3 60 60 A K H X S+ 0 0 103 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.613 113.2 55.0 -80.8 -14.7 -23.9 3.0 16.8 61 61 A K H X S+ 0 0 144 -4,-0.6 4,-0.9 -5,-0.3 -2,-0.2 0.936 112.2 40.5 -72.9 -53.4 -22.0 -0.0 17.9 62 62 A V H X S+ 0 0 34 -4,-3.1 4,-1.6 1,-0.2 3,-0.4 0.873 117.9 49.2 -62.3 -40.6 -18.8 1.1 16.3 63 63 A A H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.918 105.4 56.4 -65.9 -46.3 -19.5 4.7 17.3 64 64 A N H X S+ 0 0 77 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.668 107.3 49.9 -64.0 -18.5 -20.2 3.9 21.0 65 65 A A H X S+ 0 0 21 -4,-0.9 4,-4.0 -3,-0.4 5,-0.2 0.889 104.5 54.9 -85.2 -45.2 -16.8 2.2 21.4 66 66 A L H X S+ 0 0 17 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.932 117.3 40.0 -51.2 -46.6 -14.7 5.0 19.9 67 67 A I H X S+ 0 0 37 -4,-2.0 4,-2.0 2,-0.2 3,-0.3 0.998 109.9 56.4 -59.9 -73.4 -16.4 7.1 22.6 68 68 A E H X S+ 0 0 88 -4,-2.0 4,-1.5 1,-0.3 3,-0.2 0.804 113.2 45.3 -20.1 -55.5 -16.2 4.4 25.2 69 69 A A H >< S+ 0 0 0 -4,-4.0 3,-0.5 1,-0.2 -1,-0.3 0.960 105.2 58.1 -59.0 -54.8 -12.5 4.6 24.4 70 70 A V H >< S+ 0 0 3 -4,-2.7 3,-1.0 -3,-0.3 -1,-0.2 0.826 104.8 54.8 -47.4 -36.4 -12.3 8.4 24.4 71 71 A N H 3< S+ 0 0 99 -4,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.942 117.2 32.3 -63.9 -49.7 -13.6 8.3 28.0 72 72 A H T X< S+ 0 0 115 -4,-1.5 3,-3.3 -3,-0.5 -1,-0.3 -0.088 76.1 150.3 -99.6 35.5 -10.9 6.0 29.3 73 73 A I T < + 0 0 5 -3,-1.0 3,-0.5 1,-0.3 -1,-0.2 0.674 64.5 65.6 -41.5 -22.3 -8.3 7.4 26.9 74 74 A D T 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.607 113.1 25.8 -88.1 -11.8 -5.6 6.5 29.5 75 75 A D S < S+ 0 0 112 -3,-3.3 -1,-0.3 -6,-0.2 4,-0.2 -0.512 70.4 162.3-143.8 78.3 -6.0 2.7 29.3 76 76 A I >>> + 0 0 27 -3,-0.5 3,-2.6 2,-0.1 4,-1.4 0.940 61.2 67.6 -61.6 -55.4 -7.4 1.9 25.9 77 77 A S H >>5S+ 0 0 63 1,-0.3 4,-3.8 2,-0.2 3,-2.8 0.818 102.7 39.2 -30.3 -98.0 -6.6 -1.8 25.8 78 78 A G H 345S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.542 114.4 64.8 -37.2 -4.0 -8.9 -3.3 28.4 79 79 A A H <45S+ 0 0 12 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.843 127.0 2.8 -91.0 -40.9 -11.3 -0.8 27.0 80 80 A L H X<5S+ 0 0 4 -3,-2.8 3,-3.2 -4,-1.4 4,-0.4 0.450 101.3 106.4-119.3 -11.3 -11.7 -2.2 23.5 81 81 A S T >X S+ 0 0 151 1,-0.3 4,-0.8 -5,-0.3 -1,-0.3 0.838 97.5 56.2 -57.0 -36.1 -12.6 -7.4 24.1 83 83 A L H <> S+ 0 0 26 -3,-3.2 4,-1.8 1,-0.2 -1,-0.3 0.475 97.1 74.6 -71.9 -1.3 -13.2 -6.2 20.5 84 84 A S H <>>S+ 0 0 6 -3,-2.5 4,-2.5 -4,-0.4 5,-0.6 0.962 91.3 45.4 -74.8 -58.8 -9.7 -7.7 20.1 85 85 A D H <>S+ 0 0 78 -4,-0.8 5,-1.2 3,-0.2 4,-0.5 0.802 115.9 52.2 -56.3 -28.8 -10.6 -11.4 20.2 86 86 A L H X>S+ 0 0 96 -4,-0.8 5,-3.3 3,-0.2 4,-0.9 0.986 114.7 35.0 -71.7 -62.2 -13.5 -10.6 17.8 87 87 A H H <>S+ 0 0 47 -4,-1.8 5,-1.8 3,-0.2 6,-1.4 0.912 131.4 30.2 -60.0 -46.0 -11.6 -8.7 15.0 88 88 A A T <5S+ 0 0 3 -4,-2.5 -3,-0.2 48,-0.4 -2,-0.1 0.950 125.9 35.6 -83.7 -53.7 -8.4 -10.7 15.2 89 89 A Q T 4> - 0 0 5 -2,-0.3 3,-2.7 1,-0.2 4,-0.5 -0.501 25.2-126.4 -65.3 111.0 -6.9 -7.3 7.3 95 95 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.504 104.5 71.8 -38.5 -4.5 -5.0 -4.8 9.5 96 96 A V T >> S+ 0 0 22 2,-0.1 3,-1.6 1,-0.1 4,-0.8 0.867 87.3 57.1 -84.7 -37.5 -5.1 -2.6 6.4 97 97 A N H X> S+ 0 0 16 -3,-2.7 4,-1.9 1,-0.3 3,-1.2 0.919 87.2 75.0 -58.5 -47.0 -8.8 -1.7 6.5 98 98 A F H 3X S+ 0 0 41 -4,-0.5 4,-1.2 1,-0.3 -1,-0.3 0.762 99.0 51.0 -37.2 -27.1 -8.6 -0.3 10.0 99 99 A K H <> S+ 0 0 115 -3,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.890 105.7 52.6 -78.6 -43.4 -7.0 2.6 8.1 100 100 A L H XX S+ 0 0 12 -3,-1.2 4,-2.0 -4,-0.8 3,-0.5 0.955 111.2 45.9 -57.2 -52.7 -9.8 2.9 5.6 101 101 A L H 3X S+ 0 0 44 -4,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.903 110.6 53.8 -57.6 -42.8 -12.4 3.2 8.3 102 102 A G H 3X S+ 0 0 11 -4,-1.2 4,-2.1 -5,-0.4 -1,-0.3 0.821 108.8 51.3 -60.5 -30.5 -10.3 5.7 10.2 103 103 A Q H << S+ 0 0 16 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.873 109.9 46.6 -74.6 -41.0 -10.1 7.7 6.9 104 104 A C H >X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 3,-0.6 0.861 112.9 50.8 -71.0 -37.3 -13.9 7.7 6.3 105 105 A F H 3X S+ 0 0 25 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.974 108.5 49.6 -62.1 -54.3 -14.5 8.7 9.9 106 106 A L H 3< S+ 0 0 6 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.526 112.9 52.0 -62.4 -4.3 -12.0 11.5 9.7 107 107 A V H <> S+ 0 0 0 -3,-0.6 4,-1.0 2,-0.1 -2,-0.2 0.828 105.7 50.6 -94.1 -47.2 -13.9 12.5 6.6 108 108 A V H >X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-1.2 0.949 112.8 47.5 -51.5 -55.6 -17.4 12.5 8.2 109 109 A V H >X S+ 0 0 10 -4,-2.4 4,-3.7 1,-0.3 3,-0.7 0.924 107.4 56.1 -49.8 -51.0 -16.1 14.7 11.0 110 110 A A H 34 S+ 0 0 0 -4,-0.5 -1,-0.3 -5,-0.3 151,-0.2 0.660 105.8 53.2 -63.1 -16.9 -14.5 17.0 8.5 111 111 A I H << S+ 0 0 6 -3,-1.2 151,-0.3 -4,-1.0 -1,-0.3 0.798 122.1 26.2 -84.9 -32.5 -17.8 17.5 6.7 112 112 A H H << S+ 0 0 47 -4,-1.3 -2,-0.2 -3,-0.7 3,-0.2 0.816 129.3 38.8-100.6 -39.1 -19.8 18.5 9.8 113 113 A H X + 0 0 43 -4,-3.7 4,-1.2 -5,-0.3 -1,-0.2 -0.548 69.5 149.0-114.5 65.3 -17.1 20.0 12.0 114 114 A P T >4 S+ 0 0 50 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.979 72.6 43.2 -54.0 -66.9 -15.0 21.8 9.5 115 115 A S T 34 S+ 0 0 112 1,-0.3 3,-0.1 -3,-0.2 -2,-0.1 0.704 115.4 51.9 -61.5 -19.1 -13.7 24.7 11.6 116 116 A A T 34 S+ 0 0 20 1,-0.2 2,-1.5 -100,-0.1 -1,-0.3 0.713 91.8 72.7 -93.6 -22.2 -13.0 22.4 14.5 117 117 A L S << S+ 0 0 6 -4,-1.2 -1,-0.2 -3,-1.0 141,-0.0 -0.560 72.9 162.8 -89.8 70.6 -10.9 19.8 12.7 118 118 A T > - 0 0 53 -2,-1.5 4,-2.7 -3,-0.1 3,-0.4 -0.232 57.5 -84.3 -81.2 175.7 -7.9 22.1 12.4 119 119 A P H > S+ 0 0 16 0, 0.0 4,-2.2 0, 0.0 3,-0.1 0.906 131.6 43.4 -46.3 -53.2 -4.3 20.9 11.7 120 120 A E H > S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.794 115.6 47.9 -66.8 -31.4 -3.6 20.1 15.3 121 121 A V H > S+ 0 0 17 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.721 107.5 57.1 -80.5 -25.7 -7.0 18.3 15.8 122 122 A H H X S+ 0 0 4 -4,-2.7 4,-1.5 2,-0.1 -2,-0.2 0.961 110.6 45.9 -62.6 -54.0 -6.5 16.4 12.6 123 123 A A H >X S+ 0 0 10 -4,-2.2 3,-3.8 -5,-0.2 4,-1.8 0.967 114.7 40.7 -50.5 -85.1 -3.3 15.1 14.1 124 124 A S H 3X S+ 0 0 4 -4,-1.6 4,-3.1 1,-0.3 3,-0.4 0.834 112.4 57.4 -32.4 -56.0 -4.3 14.1 17.6 125 125 A L H 3X S+ 0 0 2 -4,-1.4 4,-1.8 1,-0.3 -1,-0.3 0.836 110.5 45.4 -48.0 -34.8 -7.6 12.7 16.2 126 126 A D H X S+ 0 0 52 -4,-1.8 4,-1.1 -3,-0.4 3,-0.7 0.968 109.5 49.0 -57.0 -53.1 -3.1 9.6 17.0 128 128 A F H >X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.3 3,-1.0 0.932 109.6 48.8 -52.6 -54.7 -6.1 8.4 18.8 129 129 A L H 3X S+ 0 0 20 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.738 105.5 62.2 -62.2 -20.6 -7.6 6.2 16.0 130 130 A C H < S+ 0 0 17 -4,-2.1 3,-0.9 2,-0.2 4,-0.4 0.882 106.2 54.1 -92.1 -47.5 -5.4 -2.2 20.1 136 136 A L H 3< S+ 0 0 18 -4,-1.9 -48,-0.4 1,-0.2 3,-0.2 0.730 117.1 42.1 -59.5 -20.7 -8.1 -4.1 18.2 137 137 A T T >< S+ 0 0 14 -4,-1.0 3,-3.8 1,-0.1 4,-0.3 0.556 78.5 108.0-102.9 -12.0 -5.3 -5.8 16.3 138 138 A A G X + 0 0 23 -3,-0.9 3,-3.8 1,-0.3 -1,-0.1 0.788 66.1 73.2 -36.2 -43.5 -2.9 -6.4 19.2 139 139 A K G 3 S+ 0 0 118 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.592 86.3 67.7 -53.3 -8.0 -3.7 -10.1 19.0 140 140 A Y G < 0 0 22 -3,-3.8 -1,-0.3 326,-0.0 -2,-0.2 0.744 360.0 360.0 -79.8 -25.3 -1.6 -10.0 15.9 141 141 A R < 0 0 81 -3,-3.8 272,-0.1 -4,-0.3 271,-0.0 -0.590 360.0 360.0-106.9 360.0 1.6 -9.3 18.0 142 !* 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 0.0 143 1 B V 0 0 85 0, 0.0 2,-0.9 0, 0.0 433,-0.0 0.000 360.0 360.0 360.0 112.4 -8.0 2.6 -15.8 144 2 B Q - 0 0 182 0, 0.0 2,-0.3 0, 0.0 77,-0.0 -0.798 360.0-154.5 -94.6 100.5 -11.5 2.7 -17.2 145 3 B W - 0 0 33 -2,-0.9 2,-0.1 75,-0.1 5,-0.0 -0.573 9.2-143.3 -74.2 132.8 -13.1 6.1 -16.4 146 4 B S > - 0 0 34 -2,-0.3 4,-0.9 1,-0.1 -1,-0.0 -0.451 20.7-111.5 -88.7 169.9 -16.9 6.1 -16.1 147 5 B A H >> S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.921 116.6 40.5 -70.9 -48.1 -19.1 9.0 -17.3 148 6 B E H 3> S+ 0 0 108 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.587 108.6 66.4 -76.6 -9.9 -20.4 10.2 -13.9 149 7 B E H 3> S+ 0 0 52 2,-0.1 4,-1.4 3,-0.1 -1,-0.2 0.763 108.4 36.2 -80.9 -27.3 -16.9 9.6 -12.6 150 8 B K H S+ 0 0 68 -4,-0.9 4,-2.2 -3,-0.6 5,-0.7 0.936 110.8 56.6 -84.4 -65.1 -15.5 12.4 -14.8 151 9 B Q H <5S+ 0 0 136 -4,-1.7 -2,-0.1 1,-0.2 -3,-0.1 0.733 114.9 45.8 -34.4 -30.7 -18.3 14.9 -14.7 152 10 B L H X5S+ 0 0 43 -4,-0.5 4,-2.2 2,-0.2 5,-0.4 0.952 106.8 52.2 -81.7 -61.1 -17.8 14.6 -10.9 153 11 B I H >X5S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.3 3,-0.7 0.910 125.3 30.4 -37.3 -59.8 -14.0 14.9 -10.7 154 12 B S H 3X5S+ 0 0 62 -4,-2.2 4,-1.7 1,-0.2 -1,-0.3 0.684 110.2 69.1 -75.8 -20.8 -14.2 18.1 -12.8 155 13 B G H 34< S+ 0 0 41 -4,-2.7 3,-4.5 -5,-0.4 -3,-0.2 0.910 92.0 65.0 -45.3 -56.3 -12.5 20.7 -9.5 158 16 B G T 3< S+ 0 0 46 -4,-1.7 -1,-0.3 1,-0.3 465,-0.1 0.793 105.6 46.3 -37.9 -36.7 -14.0 23.8 -11.2 159 17 B K T < S+ 0 0 72 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.412 89.4 123.2 -91.6 2.6 -14.9 25.0 -7.7 160 18 B V < - 0 0 7 -3,-4.5 2,-0.9 -4,-0.3 3,-0.1 -0.330 57.7-141.4 -71.0 141.3 -11.4 24.2 -6.1 161 19 B N >> - 0 0 24 1,-0.2 4,-1.9 -2,-0.1 5,-0.8 -0.833 19.4-171.2 -97.6 94.7 -9.2 26.8 -4.4 162 20 B V H >5S+ 0 0 35 -2,-0.9 4,-0.5 1,-0.2 48,-0.2 0.872 81.3 38.0 -57.1 -42.5 -5.9 25.7 -5.7 163 21 B A H >5S+ 0 0 39 460,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.949 121.8 41.1 -75.6 -50.9 -3.8 28.0 -3.4 164 22 B D H >5S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.984 125.0 35.7 -62.6 -63.5 -6.0 27.8 -0.2 165 23 B C H X5S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 3,-0.3 0.868 118.4 59.9 -49.9 -36.9 -6.7 24.0 -0.4 166 24 B G H X< S- 0 0 49 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.3 -0.928 75.8-166.0-119.0 105.3 3.2 13.2 9.5 178 36 B P G > S+ 0 0 26 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.811 76.8 67.7 -61.9 -41.0 6.4 15.0 10.8 179 37 B W G > S+ 0 0 28 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.773 85.7 71.2 -55.2 -32.3 9.1 12.9 9.1 180 38 B T G X S+ 0 0 5 -3,-0.9 3,-1.0 1,-0.3 -1,-0.3 0.559 77.5 80.8 -64.0 -8.9 8.1 14.3 5.7 181 39 B Q G X S+ 0 0 29 -3,-2.4 3,-0.6 1,-0.2 -1,-0.3 0.565 72.0 83.4 -71.2 -8.8 9.6 17.6 6.8 182 40 B R G X S+ 0 0 77 -3,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.856 87.5 49.4 -61.2 -35.7 12.9 16.0 5.9 183 41 B F G < S+ 0 0 44 -3,-1.0 -1,-0.2 1,-0.2 3,-0.2 0.634 110.2 49.2 -83.9 -13.4 12.5 17.0 2.2 184 42 B F G X + 0 0 38 -3,-0.6 3,-3.0 -4,-0.3 -1,-0.2 0.153 64.5 120.6-115.9 18.3 11.6 20.6 2.7 185 43 B A G X S+ 0 0 74 -3,-0.7 3,-2.1 1,-0.3 -1,-0.1 0.824 71.5 65.7 -52.2 -34.1 14.3 21.8 5.1 186 44 B S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.663 86.1 74.8 -61.6 -13.8 15.3 24.4 2.5 187 45 B F G < S- 0 0 25 -3,-3.0 2,-0.4 1,-0.3 14,-0.3 0.511 97.3-143.2 -78.0 -4.8 11.9 25.9 3.2 188 46 B G < + 0 0 50 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.3 -0.631 64.6 42.3 83.5-131.6 13.2 27.3 6.5 189 47 B N + 0 0 96 -2,-0.4 10,-0.2 1,-0.1 9,-0.1 -0.359 50.0 141.1 -64.4 110.8 11.0 27.4 9.6 190 48 B L + 0 0 18 -2,-0.4 -1,-0.1 7,-0.0 6,-0.1 -0.186 35.8 117.9-132.8 40.1 8.9 24.2 10.1 191 49 B S S S+ 0 0 96 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.520 71.4 22.9 -94.3 -10.3 9.4 24.1 13.8 192 50 B S S > S- 0 0 45 1,-0.2 4,-2.8 -3,-0.0 5,-0.3 -0.993 77.8-110.0-153.6 147.9 5.8 24.4 15.1 193 51 B P H >> S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 3,-0.7 0.940 126.9 44.3 -36.8 -58.1 2.3 23.9 13.9 194 52 B T H 3> S+ 0 0 112 1,-0.3 4,-1.0 2,-0.2 5,-0.2 0.949 108.2 54.5 -50.2 -63.6 2.1 27.6 13.9 195 53 B A H 3> S+ 0 0 20 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.813 112.4 47.7 -39.4 -38.2 5.5 28.2 12.3 196 54 B I H X< S+ 0 0 4 -4,-2.8 3,-0.8 -3,-0.7 -1,-0.2 0.927 103.5 54.1 -78.0 -49.7 4.3 25.9 9.5 197 55 B L H 3< S+ 0 0 64 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.585 114.6 48.9 -61.5 -6.3 0.9 27.3 8.6 198 56 B G H 3< S+ 0 0 55 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.674 79.5 109.2-106.6 -25.4 2.7 30.6 8.3 199 57 B N S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.631 89.1 58.6 -79.1 -15.2 5.2 31.3 2.6 201 59 B M H > S+ 0 0 85 -14,-0.3 4,-3.5 2,-0.2 5,-0.4 0.980 108.7 40.1 -72.3 -70.0 7.4 28.7 0.9 202 60 B V H > S+ 0 0 2 1,-0.3 4,-3.8 -15,-0.3 5,-0.2 0.910 120.2 49.7 -38.6 -51.6 5.4 25.6 2.0 203 61 B R H X S+ 0 0 120 -4,-1.9 4,-0.9 2,-0.2 -1,-0.3 0.918 112.1 46.6 -56.4 -48.8 2.4 27.7 1.2 204 62 B A H >X S+ 0 0 55 -4,-2.0 3,-1.5 2,-0.2 4,-0.7 0.974 117.2 41.9 -58.9 -56.8 3.8 28.7 -2.1 205 63 B H H >X S+ 0 0 64 -4,-3.5 4,-1.6 1,-0.3 3,-0.8 0.894 102.8 68.3 -59.1 -41.1 4.8 25.2 -3.1 206 64 B G H 3X S+ 0 0 0 -4,-3.8 4,-1.3 -5,-0.4 -1,-0.3 0.841 97.5 58.6 -44.2 -32.1 1.5 23.9 -1.7 207 65 B K H << S+ 0 0 116 -3,-1.5 4,-0.4 -4,-0.9 -1,-0.3 0.891 104.1 44.0 -70.4 -43.1 0.1 25.8 -4.6 208 66 B K H X S+ 0 0 30 -4,-1.6 4,-1.1 2,-0.2 3,-0.8 0.992 110.9 30.5 -65.9 -66.9 1.2 20.6 -5.9 210 68 B L H 3< S+ 0 0 5 -4,-1.3 4,-0.5 1,-0.3 -1,-0.2 0.494 113.8 66.1 -76.0 -3.0 -2.6 20.5 -6.2 211 69 B T H 3> S+ 0 0 54 -4,-0.4 4,-1.1 2,-0.2 -1,-0.3 0.829 100.0 50.8 -76.4 -37.2 -2.1 22.6 -9.3 212 70 B S H S+ 0 0 1 -4,-0.5 4,-2.9 1,-0.3 -1,-0.2 0.903 99.0 52.9 -62.4 -43.0 -5.4 19.7 -11.8 215 73 B D H X S+ 0 0 73 -4,-1.1 4,-0.8 1,-0.2 -1,-0.3 0.764 106.3 56.7 -61.1 -24.3 -3.3 18.6 -14.8 216 74 B A H < S+ 0 0 1 -4,-0.8 -2,-0.3 2,-0.2 -1,-0.2 0.918 110.2 42.4 -70.5 -44.9 -4.4 15.2 -13.6 217 75 B V H >< S+ 0 0 11 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.930 106.9 59.5 -65.9 -49.2 -8.1 16.1 -13.8 218 76 B K H 3< S+ 0 0 163 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.710 119.5 27.5 -62.8 -23.8 -7.9 18.0 -17.2 219 77 B N T >< + 0 0 84 -4,-0.8 3,-2.0 -3,-0.2 -1,-0.3 -0.479 69.8 173.3-134.2 69.3 -6.6 14.9 -19.0 220 78 B L T < S+ 0 0 10 -3,-1.0 3,-0.1 1,-0.3 -2,-0.1 0.388 76.8 55.6 -59.4 5.7 -8.0 12.0 -17.0 221 79 B D T 3 S+ 0 0 118 1,-0.1 -1,-0.3 2,-0.1 3,-0.2 0.634 102.0 49.4-111.5 -21.8 -6.7 9.7 -19.7 222 80 B N <> + 0 0 57 -3,-2.0 4,-2.2 1,-0.2 3,-0.4 -0.293 64.2 126.7-119.1 48.9 -3.0 10.5 -19.9 223 81 B I H > + 0 0 11 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.941 68.4 60.0 -69.7 -49.0 -1.8 10.4 -16.3 224 82 B K H 4 S+ 0 0 112 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.708 116.2 39.2 -55.7 -17.3 1.1 8.0 -16.7 225 83 B N H >> S+ 0 0 80 -3,-0.4 3,-3.6 2,-0.2 4,-0.7 0.901 109.2 51.4 -96.0 -61.9 2.5 10.5 -19.1 226 84 B T H 3< S+ 0 0 62 -4,-2.2 4,-0.2 1,-0.3 -2,-0.2 0.638 120.7 44.0 -51.7 -11.2 1.8 14.0 -17.7 227 85 B F T 3X S+ 0 0 8 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.3 0.193 87.0 90.5-121.4 14.7 3.4 12.4 -14.7 228 86 B A H X> S+ 0 0 26 -3,-3.6 3,-0.6 2,-0.2 4,-0.6 0.946 90.0 46.6 -72.4 -50.5 6.4 10.7 -16.3 229 87 B Q H >X S+ 0 0 152 -4,-0.7 4,-1.1 1,-0.2 3,-1.0 0.913 115.3 47.0 -55.2 -45.7 8.7 13.7 -16.0 230 88 B L H 3> S+ 0 0 61 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.608 100.3 65.4 -78.2 -13.3 7.7 14.2 -12.3 231 89 B S H << S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.599 100.4 55.0 -81.3 -13.6 8.0 10.5 -11.4 232 90 B E H XX>S+ 0 0 90 -3,-1.0 4,-3.5 -4,-0.6 3,-1.5 0.936 105.3 47.9 -78.9 -57.4 11.8 10.9 -12.1 233 91 B L H 3X>S+ 0 0 69 -4,-1.1 5,-2.7 1,-0.3 4,-1.3 0.909 113.2 48.6 -48.0 -51.1 12.5 13.8 -9.8 234 92 B H H 3<5S+ 0 0 47 -4,-1.3 6,-2.3 3,-0.2 -1,-0.3 0.632 122.9 34.9 -66.3 -14.1 10.6 12.2 -6.9 235 93 B C H <45S+ 0 0 5 -3,-1.5 -2,-0.2 4,-0.2 -1,-0.2 0.817 126.7 26.9-110.3 -45.0 12.6 8.9 -7.5 236 94 B D H <5S+ 0 0 89 -4,-3.5 -3,-0.2 3,-0.1 -2,-0.1 0.579 133.3 26.4 -97.6 -13.4 16.1 9.6 -8.6 237 95 B K T < - 0 0 35 -2,-0.5 3,-2.6 1,-0.1 4,-0.3 -0.350 18.5-128.5 -60.7 133.0 9.0 6.6 -0.5 242 100 B P T >> S+ 0 0 46 0, 0.0 3,-2.5 0, 0.0 4,-1.2 0.843 105.2 74.4 -47.9 -40.2 5.8 5.8 -2.5 243 101 B E H 3> S+ 0 0 79 1,-0.3 4,-0.9 2,-0.2 -2,-0.1 0.662 93.6 55.9 -49.5 -16.6 4.0 5.4 0.8 244 102 B N H <> S+ 0 0 11 -3,-2.6 4,-1.3 2,-0.2 -1,-0.3 0.560 95.0 60.4 -99.0 -12.7 4.1 9.2 1.0 245 103 B F H <> S+ 0 0 17 -3,-2.5 4,-0.7 -4,-0.3 -2,-0.2 0.751 107.3 50.4 -76.4 -27.4 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-8.4 -44.5 55.4 -6.2 759 39 F Q G X S+ 0 0 32 -3,-3.3 3,-0.8 -7,-0.2 -1,-0.3 0.533 73.0 83.3 -83.0 -5.5 -46.2 58.6 -7.1 760 40 F R G < S+ 0 0 68 -3,-1.5 3,-0.4 1,-0.2 -1,-0.2 0.692 89.8 48.0 -73.1 -21.9 -49.7 57.1 -6.5 761 41 F F G < S+ 0 0 58 -3,-0.8 -1,-0.2 1,-0.2 3,-0.2 0.416 108.9 55.5 -98.5 -0.5 -49.6 57.7 -2.7 762 42 F F X + 0 0 39 -3,-0.8 3,-2.5 1,-0.1 -1,-0.2 0.073 58.7 126.0-120.2 22.6 -48.5 61.3 -3.1 763 43 F A G > + 0 0 77 -3,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.770 66.7 74.2 -50.6 -24.1 -51.3 62.7 -5.3 764 44 F S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.794 78.2 72.6 -60.5 -29.7 -51.7 65.3 -2.6 765 45 F F G < S- 0 0 28 -3,-2.5 14,-0.3 1,-0.2 2,-0.3 0.363 100.1-124.4 -78.1 9.2 -48.5 67.1 -3.6 766 46 F G S < S+ 0 0 51 -3,-1.3 2,-0.4 -4,-0.1 -1,-0.2 -0.682 71.7 14.6 89.7-141.6 -49.9 68.6 -6.8 767 47 F N + 0 0 88 -2,-0.3 10,-0.2 1,-0.1 3,-0.1 -0.591 49.1 161.6 -77.8 125.0 -48.2 68.1 -10.1 768 48 F L + 0 0 19 -2,-0.4 -1,-0.1 1,-0.1 6,-0.1 -0.358 35.1 127.2-130.7 49.8 -45.6 65.4 -10.4 769 49 F S + 0 0 92 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.721 64.2 27.3 -87.7 -28.6 -45.8 65.2 -14.1 770 50 F S S >>S- 0 0 39 -3,-0.1 4,-5.1 1,-0.1 5,-0.6 -0.988 76.8-112.8-139.6 149.0 -42.2 65.6 -15.2 771 51 F P H >5S+ 0 0 41 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.796 128.4 41.9 -43.7 -30.5 -38.7 64.9 -13.8 772 52 F T H >5S+ 0 0 100 2,-0.2 4,-0.7 3,-0.1 5,-0.2 0.925 115.4 46.8 -80.7 -53.5 -38.5 68.7 -13.9 773 53 F A H >>5S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 3,-1.5 0.938 116.3 45.6 -52.2 -51.4 -42.0 69.2 -12.6 774 54 F I H 3<5S+ 0 0 6 -4,-5.1 3,-0.3 1,-0.3 -1,-0.2 0.914 111.6 53.7 -57.7 -41.3 -41.4 66.6 -9.9 775 55 F L H 3< S+ 0 0 93 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.837 93.9 53.4 -84.0 -37.7 -42.3 72.2 -2.8 779 59 F M H >>>S+ 0 0 83 -14,-0.3 4,-3.3 2,-0.3 3,-0.7 0.992 105.0 53.3 -58.4 -63.9 -44.2 69.4 -1.1 780 60 F V H 3>5S+ 0 0 3 -15,-0.3 4,-1.0 1,-0.3 -1,-0.2 0.861 116.8 42.2 -32.7 -45.1 -42.1 66.8 -2.6 781 61 F R H 3X5S+ 0 0 140 -4,-0.6 4,-0.9 2,-0.2 -1,-0.3 0.789 113.3 48.9 -82.7 -30.1 -39.2 68.8 -1.1 782 62 F A H X S+ 0 0 115 -4,-0.9 4,-2.7 1,-0.2 3,-0.5 0.963 106.0 45.5 -63.4 -54.4 -36.6 66.6 4.6 786 66 F K H 3X S+ 0 0 124 -4,-1.0 4,-4.1 1,-0.2 6,-0.2 0.830 105.2 60.8 -62.4 -34.3 -38.5 64.9 7.5 787 67 F V H 3X S+ 0 0 38 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.889 111.0 41.7 -59.4 -39.8 -38.2 61.4 6.1 788 68 F L H X S+ 0 0 55 -4,-2.7 3,-1.8 1,-0.3 4,-1.5 0.936 106.3 53.0 -35.8 -65.0 -34.8 63.5 9.7 790 70 F S H 3X S+ 0 0 22 -4,-4.1 4,-0.7 1,-0.3 -1,-0.3 0.884 107.1 49.8 -37.0 -52.1 -36.7 60.4 10.6 791 71 F F H >X S+ 0 0 23 -4,-1.7 4,-2.1 1,-0.2 3,-0.6 0.826 104.7 63.9 -59.8 -28.1 -33.6 58.5 9.4 792 72 F G H + 0 0 8 -3,-0.2 4,-1.5 -2,-0.2 3,-0.2 0.858 67.5 59.5 -92.5 -44.6 -34.9 51.5 16.2 802 82 F K H > S+ 0 0 102 1,-0.3 4,-2.3 2,-0.2 3,-0.1 0.860 108.3 46.6 -58.1 -38.3 -38.0 49.4 16.3 803 83 F N H > S+ 0 0 84 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.843 106.5 59.9 -69.2 -36.0 -39.5 51.5 19.0 804 84 F T H 4 S+ 0 0 51 -4,-0.4 4,-0.2 -3,-0.2 -2,-0.2 0.830 115.8 32.3 -61.6 -34.2 -38.6 54.7 17.2 805 85 F F H >X S+ 0 0 5 -4,-1.5 3,-4.7 1,-0.1 4,-1.1 0.871 85.3 98.7 -94.9 -39.7 -40.7 53.7 14.2 806 86 F A H >X S+ 0 0 28 -4,-2.3 4,-1.5 1,-0.3 3,-1.2 0.652 87.5 52.5 -16.5 -56.7 -43.6 51.8 15.7 807 87 F Q H 3X S+ 0 0 162 -4,-0.5 4,-1.1 1,-0.3 -1,-0.3 0.914 114.9 41.4 -49.1 -46.7 -45.7 55.0 15.4 808 88 F L H <> S+ 0 0 58 -3,-4.7 4,-1.4 -4,-0.2 -1,-0.3 0.496 104.1 71.6 -83.8 -4.7 -44.7 55.3 11.8 809 89 F S H X>S+ 0 0 101 -4,-1.5 4,-8.3 3,-0.2 5,-1.1 0.956 114.2 52.7 -54.3 -54.7 -48.9 51.5 11.5 811 91 F L H 3X>S+ 0 0 62 -4,-1.1 5,-2.7 1,-0.3 4,-1.3 0.926 114.6 39.4 -48.8 -60.5 -49.3 54.6 9.4 812 92 F H H 3<5S+ 0 0 50 -4,-1.4 6,-2.7 3,-0.2 -1,-0.3 0.691 131.2 35.3 -60.8 -18.4 -47.2 53.3 6.5 813 93 F C H <<5S+ 0 0 2 -4,-1.1 -2,-0.3 -3,-0.7 -3,-0.2 0.822 132.4 19.8-105.5 -43.8 -48.9 50.0 7.2 814 94 F D H <5S+ 0 0 86 -4,-8.3 -3,-0.2 -5,-0.2 -2,-0.1 0.685 130.0 39.1-104.3 -22.9 -52.5 50.6 8.2 815 95 F K T <> - 0 0 47 -2,-0.5 3,-1.2 1,-0.1 4,-0.8 -0.402 14.0-124.2 -73.9 149.8 -45.7 47.8 0.4 820 100 F P H >> S+ 0 0 48 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.948 103.0 69.9 -57.6 -55.1 -42.3 46.7 1.9 821 101 F E H 3> S+ 0 0 78 1,-0.3 4,-1.4 2,-0.2 -2,-0.0 0.667 97.5 56.1 -37.4 -25.9 -40.4 46.4 -1.4 822 102 F N H <> S+ 0 0 14 -3,-1.2 4,-2.7 2,-0.3 5,-0.3 0.942 97.5 55.3 -78.7 -52.6 -40.7 50.2 -1.6 823 103 F F H X S+ 0 0 11 -4,-2.5 4,-1.3 1,-0.2 3,-0.7 0.894 113.7 48.9 -53.5 -42.2 -31.3 51.9 -1.9 829 109 F I H 3X S+ 0 0 3 -4,-3.7 4,-2.0 1,-0.3 5,-0.3 0.907 102.8 61.2 -63.1 -42.9 -32.0 55.3 -3.5 830 110 F L H 3X S+ 0 0 10 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.3 0.816 103.3 55.4 -47.8 -31.6 -30.9 57.0 -0.3 831 111 F I H X S+ 0 0 2 -4,-1.8 3,-1.1 -5,-0.3 4,-1.0 0.903 110.5 48.4 -57.5 -43.6 -25.4 59.7 -0.3 835 115 F A H 3X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 7,-0.3 0.801 106.6 58.0 -68.0 -29.9 -22.4 58.5 -2.5 836 116 F A H 3< S+ 0 0 16 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.331 108.2 43.2 -82.6 0.7 -22.9 61.4 -4.9 837 117 F H H <4 S+ 0 0 91 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.520 122.1 38.0-117.0 -20.1 -22.5 64.2 -2.4 838 118 F F H >< S- 0 0 18 -4,-1.0 3,-2.1 -5,-0.2 -2,-0.2 0.468 85.6-177.7-111.6 -3.2 -19.5 62.6 -0.5 839 119 F T G >< + 0 0 60 -4,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.002 67.7 6.0 46.0-121.2 -17.7 61.2 -3.5 840 120 F K G 3 S+ 0 0 163 1,-0.3 -1,-0.3 -151,-0.1 3,-0.1 0.631 121.3 73.7 -68.8 -8.0 -14.5 59.2 -2.7 841 121 F E G < S+ 0 0 98 -3,-2.1 2,-3.5 1,-0.2 -1,-0.3 0.843 72.8 82.8 -71.3 -29.0 -15.3 59.6 0.9 842 122 F F S < S- 0 0 0 -3,-1.5 5,-0.3 -7,-0.3 -1,-0.2 -0.256 76.7-174.1 -71.9 57.6 -18.2 57.0 0.6 843 123 F T > - 0 0 55 -2,-3.5 4,-2.0 3,-0.1 3,-0.1 0.076 36.2 -97.7 -49.5 163.4 -15.6 54.2 1.0 844 124 F P H >> S+ 0 0 37 0, 0.0 4,-1.6 0, 0.0 3,-0.8 0.962 124.5 46.7 -49.5 -73.4 -16.6 50.6 0.6 845 125 F E H 3> S+ 0 0 98 1,-0.3 4,-2.2 2,-0.2 -2,-0.1 0.808 109.3 62.9 -40.8 -32.1 -17.1 49.6 4.2 846 126 F C H >> S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.983 100.0 47.8 -56.8 -61.2 -19.0 52.9 4.3 847 127 F Q H X S+ 0 0 27 -4,-2.4 4,-2.4 2,-0.2 3,-0.8 0.988 114.5 53.6 -45.3 -59.5 -27.2 47.6 7.0 853 133 F L H 3X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.3 -2,-0.3 0.873 113.0 38.4 -45.7 -57.0 -28.5 50.8 8.4 854 134 F V H 3< S+ 0 0 8 -4,-4.5 -1,-0.3 1,-0.2 4,-0.2 0.711 111.8 61.9 -72.0 -18.5 -31.3 51.2 5.8 855 135 F R H < S+ 0 0 47 -4,-1.7 3,-2.6 2,-0.2 -2,-0.2 0.929 109.9 52.6 -77.6 -48.1 -37.3 45.8 8.6 860 140 F A T 3< S+ 0 0 6 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.641 107.9 57.1 -64.3 -11.4 -38.5 47.7 11.7 861 141 F L T 3 S+ 0 0 18 -5,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.470 108.2 46.0 -94.4 -5.5 -40.7 49.5 9.3 862 142 F A S < S+ 0 0 13 -3,-2.6 3,-0.4 1,-0.1 -2,-0.2 0.128 84.5 97.3-118.9 16.9 -42.2 46.2 8.1 863 143 F R S > S+ 0 0 83 -3,-0.3 3,-0.8 1,-0.2 -2,-0.1 0.734 77.1 56.1 -82.5 -25.0 -42.8 44.7 11.6 864 144 F K T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.493 93.4 71.9 -84.5 -4.0 -46.5 45.6 11.9 865 145 F Y T 3 0 0 56 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.589 360.0 360.0 -80.7 -12.8 -47.1 43.7 8.6 866 146 F H < 0 0 70 -3,-0.8 -1,-0.2 -4,-0.1 -2,-0.1 -0.336 360.0 360.0-118.4 360.0 -46.5 40.6 10.7 867 !* 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 0.0 868 1 G V 0 0 136 0, 0.0 -149,-0.1 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 120.6 -38.8 32.9 -23.5 869 2 G L - 0 0 25 71,-0.1 2,-0.0 125,-0.1 122,-0.0 -0.018 360.0-136.1 -35.2 137.1 -41.8 30.6 -23.5 870 3 G S > - 0 0 45 1,-0.1 4,-1.8 -151,-0.0 5,-0.1 -0.170 24.0 -94.1 -91.4-172.7 -40.7 27.3 -25.1 871 4 G G H > S+ 0 0 59 2,-0.2 4,-1.0 3,-0.1 -1,-0.1 0.930 130.8 41.1 -66.6 -47.7 -42.3 25.0 -27.7 872 5 G T H >> S+ 0 0 94 2,-0.2 3,-2.1 1,-0.2 4,-1.6 0.997 109.0 61.8 -56.5 -65.3 -43.7 22.9 -24.8 873 6 G D H 3> S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.778 103.3 48.1 -26.0 -61.4 -44.6 26.1 -22.8 874 7 G K H 3X S+ 0 0 60 -4,-1.8 4,-1.3 1,-0.2 -1,-0.3 0.794 109.8 52.5 -63.3 -31.2 -47.0 27.4 -25.5 875 8 G T H S+ 0 0 38 -4,-1.6 4,-3.4 2,-0.3 5,-0.6 0.991 109.8 54.9 -55.8 -66.8 -49.5 23.6 -22.2 877 10 G V H X5S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.3 -1,-0.2 0.876 121.6 34.9 -28.9 -48.7 -50.5 27.2 -21.6 878 11 G K H X5S+ 0 0 79 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.3 0.901 113.5 56.9 -78.5 -43.5 -52.9 26.4 -24.4 879 12 G G H <5S+ 0 0 26 -4,-5.2 -3,-0.2 1,-0.2 -2,-0.2 0.843 113.7 40.7 -58.2 -35.2 -53.6 22.8 -23.5 880 13 G I H ><5S+ 0 0 9 -4,-3.4 3,-1.2 -5,-0.2 -1,-0.2 0.818 109.4 58.4 -84.3 -33.2 -54.8 23.8 -20.0 881 14 G F H >X< S+ 0 0 65 -4,-2.1 3,-1.7 1,-0.3 4,-0.3 0.700 83.8 65.5 -22.4 -44.6 -62.9 28.3 -21.6 886 19 G S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.679 115.3 27.7 -61.7 -17.6 -66.1 26.7 -20.3 887 20 G H G <> S+ 0 0 77 -3,-5.3 4,-2.5 2,-0.1 -1,-0.3 0.142 83.7 129.1-128.3 18.2 -65.8 28.6 -17.1 888 21 G A H <> S+ 0 0 8 -3,-1.7 4,-1.8 -4,-0.4 5,-0.2 0.877 72.2 44.3 -40.2 -69.6 -63.8 31.7 -18.3 889 22 G E H >> S+ 0 0 74 -4,-0.3 4,-1.0 1,-0.2 3,-0.5 0.913 116.7 44.1 -44.3 -62.5 -66.0 34.5 -16.9 890 23 G E H >> S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 3,-1.0 0.888 108.5 56.9 -54.6 -47.3 -66.5 33.0 -13.4 891 24 G Y H 3X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.851 105.3 52.2 -55.9 -38.2 -62.8 31.9 -12.9 892 25 G G H X S+ 0 0 45 -4,-1.8 3,-2.2 1,-0.2 4,-1.2 0.968 107.4 47.7 -57.2 -54.4 -62.5 37.8 -5.1 898 31 G R H 3X S+ 0 0 13 -4,-1.9 4,-2.7 1,-0.3 5,-0.4 0.845 104.1 63.7 -55.2 -32.1 -59.9 35.7 -3.4 899 32 G M H 3X S+ 0 0 17 -4,-1.1 4,-1.0 1,-0.2 7,-0.4 0.748 101.2 52.5 -64.2 -21.9 -57.4 38.5 -4.0 900 33 G F H << S+ 0 0 17 -3,-2.2 -1,-0.2 -4,-0.7 -2,-0.2 0.837 114.5 37.2 -84.5 -36.1 -59.6 40.7 -1.8 901 34 G I H < S+ 0 0 54 -4,-1.2 -2,-0.2 -3,-0.2 -3,-0.1 0.846 124.3 40.1 -83.1 -37.3 -59.7 38.4 1.2 902 35 G T H < S+ 0 0 10 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.879 132.1 24.1 -81.0 -39.3 -56.1 37.2 1.0 903 36 G Y >< + 0 0 17 -4,-1.0 3,-2.9 -5,-0.4 4,-0.4 -0.576 69.1 171.7-127.1 67.9 -54.6 40.5 0.0 904 37 G P G > S+ 0 0 66 0, 0.0 3,-3.2 0, 0.0 4,-0.5 0.835 72.3 72.1 -43.1 -45.3 -56.9 43.1 1.3 905 38 G Q G 3 S+ 0 0 82 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.660 85.8 67.7 -52.6 -17.3 -54.4 45.9 0.5 906 39 G T G X S+ 0 0 4 -3,-2.9 3,-1.4 -7,-0.4 4,-0.3 0.811 83.1 74.0 -71.9 -29.1 -55.3 45.2 -3.2 907 40 G K G X S+ 0 0 91 -3,-3.2 3,-5.3 -4,-0.4 -1,-0.2 0.925 75.7 78.2 -46.5 -52.1 -58.8 46.6 -2.6 908 41 G T G 3 S+ 0 0 43 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.756 87.9 58.9 -26.9 -47.6 -57.4 50.2 -2.4 909 42 G Y G < S+ 0 0 31 -3,-1.4 -1,-0.3 -4,-0.3 3,-0.2 0.721 108.3 45.8 -60.5 -22.5 -57.3 50.1 -6.2 910 43 G F X + 0 0 45 -3,-5.3 3,-1.6 -4,-0.3 -1,-0.3 -0.285 61.1 134.8-120.4 47.7 -61.0 49.4 -6.5 911 44 G P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.694 76.1 59.0 -70.4 -15.1 -62.6 51.9 -4.0 912 45 G H T 3 S+ 0 0 134 -3,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.520 96.4 81.7 -89.5 -5.2 -65.2 52.6 -6.8 913 46 G F S < S- 0 0 39 -3,-1.6 2,-0.6 -6,-0.2 -3,-0.0 -0.531 83.5-120.6 -88.0 159.8 -66.2 49.0 -6.9 914 47 G D - 0 0 61 -2,-0.2 2,-0.7 2,-0.1 8,-0.4 -0.940 25.7-160.7 -92.9 120.0 -68.6 47.1 -4.6 915 48 G L + 0 0 41 -2,-0.6 2,-0.4 -4,-0.1 -8,-0.0 -0.438 43.0 123.7-105.1 60.4 -66.5 44.4 -3.1 916 49 G H S > S- 0 0 131 -2,-0.7 3,-3.3 1,-0.0 6,-0.2 -0.973 71.9 -97.3-119.3 128.3 -69.1 41.9 -1.9 917 50 G H T 3 S+ 0 0 169 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 -0.047 112.9 18.5 -37.2 140.8 -69.3 38.3 -2.9 918 51 G G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.1 5,-0.1 0.099 85.5 147.3 84.7 -23.7 -71.8 38.0 -5.7 919 52 G S X> - 0 0 13 -3,-3.3 4,-1.4 1,-0.1 3,-0.5 -0.204 51.8-130.7 -54.1 129.8 -71.7 41.7 -6.6 920 53 G A H >> S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.883 100.0 58.9 -50.5 -50.4 -72.3 42.1 -10.3 921 54 G Q H 3> S+ 0 0 102 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.858 103.7 49.2 -53.2 -46.9 -69.3 44.5 -10.9 922 55 G I H <> S+ 0 0 3 -3,-0.5 4,-1.3 -8,-0.4 -1,-0.3 0.848 112.2 53.7 -60.1 -32.5 -66.7 42.1 -9.6 923 56 G K H X S+ 0 0 133 -4,-2.0 3,-1.5 -5,-0.3 4,-1.3 0.981 110.1 45.4 -59.6 -58.4 -63.1 41.1 -18.4 929 62 G V H 3X S+ 0 0 33 -4,-3.9 4,-1.2 1,-0.3 -2,-0.2 0.815 115.9 45.6 -59.0 -36.1 -59.9 40.0 -16.6 930 63 G A H 3X S+ 0 0 12 -4,-2.8 4,-0.9 1,-0.2 -1,-0.3 0.457 105.9 64.1 -87.4 -3.0 -60.3 36.4 -17.9 931 64 G N H <> S+ 0 0 84 -3,-1.5 4,-1.1 -5,-0.3 -2,-0.2 0.765 103.5 45.2 -84.3 -31.3 -61.1 37.8 -21.4 932 65 G A H X S+ 0 0 23 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.877 110.3 53.0 -79.1 -40.6 -57.6 39.3 -21.7 933 66 G L H X S+ 0 0 18 -4,-1.2 4,-2.0 2,-0.2 3,-0.2 0.956 115.0 39.5 -60.9 -54.1 -55.6 36.3 -20.5 934 67 G I H X S+ 0 0 35 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.932 112.1 61.7 -57.4 -43.6 -57.3 33.9 -22.9 935 68 G E H X S+ 0 0 91 -4,-1.1 4,-1.1 1,-0.2 -2,-0.2 0.887 108.5 40.1 -46.2 -47.4 -57.0 36.7 -25.4 936 69 G A H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.778 104.9 64.9 -78.6 -28.8 -53.2 36.6 -25.0 937 70 G V H >< S+ 0 0 5 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.821 102.5 51.6 -62.4 -32.1 -53.0 32.8 -24.9 938 71 G N H 3< S+ 0 0 102 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.928 115.6 40.1 -63.8 -48.0 -54.3 33.0 -28.5 939 72 G H T >< S+ 0 0 96 -4,-1.1 3,-0.6 1,-0.2 -1,-0.2 -0.158 75.4 145.2 -96.0 39.9 -51.5 35.5 -29.4 940 73 G I T < S+ 0 0 5 -3,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.685 70.7 52.4 -51.7 -22.9 -49.0 33.6 -27.3 941 74 G D T 3 S+ 0 0 122 -3,-0.3 2,-0.5 1,-0.3 -1,-0.3 0.882 118.7 32.1 -85.3 -41.7 -46.3 34.5 -29.9 942 75 G D S <> S+ 0 0 103 -3,-0.6 4,-0.8 1,-0.2 -1,-0.3 -0.740 71.2 156.2-115.4 83.4 -47.0 38.3 -29.9 943 76 G I H >> + 0 0 30 -2,-0.5 4,-2.2 -3,-0.4 3,-1.1 0.984 68.0 53.2 -66.7 -61.7 -48.1 39.0 -26.3 944 77 G S H 3> S+ 0 0 66 1,-0.3 4,-3.8 2,-0.3 3,-0.2 0.893 107.4 49.7 -43.2 -62.8 -47.2 42.7 -26.1 945 78 G G H 34 S+ 0 0 54 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.850 114.3 50.9 -45.0 -35.6 -49.1 43.7 -29.2 946 79 G A H << S+ 0 0 23 -3,-1.1 -2,-0.3 -4,-0.8 -1,-0.2 0.921 126.4 20.0 -69.9 -46.0 -52.0 41.7 -27.6 947 80 G L H < S+ 0 0 4 -4,-2.2 4,-0.3 -3,-0.2 -2,-0.2 0.386 89.2 104.6-110.6 1.4 -51.8 43.4 -24.2 948 81 G S S >X S+ 0 0 46 -4,-3.8 3,-5.1 -5,-0.3 4,-0.6 0.955 79.9 58.6 -44.7 -60.9 -50.0 46.7 -24.8 949 82 G K H >> S+ 0 0 129 -4,-0.4 3,-3.6 1,-0.3 4,-1.1 0.869 103.0 49.1 -30.5 -71.2 -53.4 48.5 -24.6 950 83 G L H 3> S+ 0 0 20 1,-0.3 4,-1.1 -4,-0.2 -1,-0.3 0.564 102.8 72.5 -49.4 -3.7 -53.9 47.2 -21.1 951 84 G S H <> S+ 0 0 1 -3,-5.1 4,-0.8 -4,-0.3 -1,-0.3 0.770 94.9 45.4 -84.0 -29.8 -50.4 48.6 -20.9 952 85 G D H S+ 0 0 83 -3,-3.6 4,-1.2 -4,-0.6 5,-1.1 0.829 115.9 45.2 -81.9 -34.3 -51.5 52.3 -21.1 953 86 G L H X>S+ 0 0 71 -4,-1.1 5,-2.5 3,-0.2 4,-0.9 0.990 117.0 39.3 -71.7 -63.7 -54.3 51.9 -18.5 954 87 G H H <>S+ 0 0 47 -4,-1.1 6,-1.7 1,-0.2 5,-0.9 0.881 126.5 35.3 -55.1 -43.3 -52.5 49.9 -15.7 955 88 G A H <5S+ 0 0 0 -4,-0.8 -1,-0.2 48,-0.2 -3,-0.2 0.878 127.7 27.5 -84.1 -42.1 -49.2 51.7 -16.1 956 89 G Q H <5S+ 0 0 110 -4,-1.2 -3,-0.2 -5,-0.3 -2,-0.1 0.926 132.6 21.8 -91.1 -50.7 -50.0 55.3 -16.9 957 90 G K T < - 0 0 6 -2,-0.7 3,-1.5 -3,-0.2 4,-0.3 -0.392 20.0-128.0 -53.7 128.9 -47.7 48.9 -8.2 962 95 G P T > S+ 0 0 30 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.698 100.0 73.1 -58.1 -27.8 -46.1 46.0 -10.0 963 96 G V T >> S+ 0 0 27 1,-0.2 3,-2.0 2,-0.2 4,-0.6 0.860 86.2 67.3 -60.8 -32.2 -45.9 43.7 -7.0 964 97 G N H X> S+ 0 0 22 -3,-1.5 4,-2.4 1,-0.3 3,-1.6 0.841 82.4 73.4 -51.2 -41.1 -49.7 43.2 -7.2 965 98 G F H <> S+ 0 0 43 -3,-1.0 4,-1.2 -4,-0.3 -1,-0.3 0.657 93.9 55.1 -53.5 -18.5 -49.4 41.3 -10.5 966 99 G K H <> S+ 0 0 110 -3,-2.0 4,-2.2 -4,-0.3 -1,-0.3 0.790 107.2 48.4 -82.4 -33.0 -48.0 38.4 -8.4 967 100 G L H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 3,-1.0 0.939 110.9 53.0 -69.1 -47.4 -54.8 33.2 -6.9 972 105 G F H 3X S+ 0 0 12 -4,-1.6 4,-2.3 1,-0.3 5,-0.2 0.892 108.6 50.7 -53.7 -42.1 -55.6 32.4 -10.5 973 106 G L H 3X S+ 0 0 5 -4,-2.4 4,-0.8 1,-0.2 -1,-0.3 0.707 112.3 49.7 -67.7 -21.0 -53.0 29.6 -10.2 974 107 G V H < S+ 0 0 0 -4,-3.4 3,-1.4 1,-0.2 4,-0.4 0.929 110.7 47.9 -47.1 -57.7 -58.3 28.6 -8.8 976 109 G V H >X S+ 0 0 7 -4,-2.3 4,-2.8 1,-0.3 3,-1.7 0.890 107.8 55.4 -54.5 -43.0 -57.2 26.4 -11.6 977 110 G A H 3< S+ 0 0 0 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.749 101.1 63.1 -62.1 -21.6 -55.6 24.0 -9.2 978 111 G I T << S+ 0 0 4 -3,-1.4 -1,-0.3 -4,-1.2 151,-0.3 0.537 119.2 18.7 -82.9 -7.2 -59.0 23.8 -7.5 979 112 G H T <4 S+ 0 0 58 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.1 0.512 127.9 45.4-138.1 -18.8 -60.9 22.3 -10.5 980 113 G H >X + 0 0 43 -4,-2.8 4,-2.1 -5,-0.2 3,-1.1 -0.444 63.5 149.5-125.5 59.2 -58.2 20.9 -12.7 981 114 G P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 0.898 74.0 48.4 -56.1 -50.1 -55.9 19.0 -10.3 982 115 G S T 34 S+ 0 0 120 1,-0.2 3,-0.2 -3,-0.1 -5,-0.1 0.449 115.2 52.0 -75.7 4.6 -54.7 16.2 -12.6 983 116 G A T <4 S+ 0 0 18 -3,-1.1 2,-4.4 1,-0.2 5,-0.3 0.861 87.1 69.9-102.0 -61.8 -54.0 19.0 -15.1 984 117 G L S < S+ 0 0 5 -4,-2.1 -1,-0.2 -8,-0.2 141,-0.0 -0.253 76.5 176.9 -58.9 66.5 -51.8 21.7 -13.5 985 118 G T > - 0 0 55 -2,-4.4 4,-2.9 -3,-0.2 5,-0.2 -0.222 49.9 -88.8 -69.0 165.8 -48.9 19.2 -13.4 986 119 G P H > S+ 0 0 26 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.895 133.4 41.4 -43.5 -50.1 -45.5 20.3 -12.1 987 120 G E H > S+ 0 0 68 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.930 109.2 56.2 -63.7 -49.3 -44.6 21.4 -15.6 988 121 G V H > S+ 0 0 15 -5,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.819 107.3 55.1 -52.2 -30.6 -48.1 23.0 -16.3 989 122 G H H X S+ 0 0 1 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.998 105.8 48.9 -57.9 -70.0 -47.2 24.9 -13.2 990 123 G A H X S+ 0 0 11 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.841 118.0 39.2 -35.2 -57.9 -43.9 26.1 -14.7 991 124 G S H X S+ 0 0 4 -4,-2.6 4,-3.7 2,-0.2 -1,-0.2 0.941 111.3 55.2 -68.5 -49.4 -45.5 27.3 -17.9 992 125 G L H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.905 112.6 48.8 -45.6 -42.1 -48.7 28.7 -16.3 993 126 G D H X S+ 0 0 34 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.998 110.6 46.1 -59.9 -69.0 -46.2 30.7 -14.3 994 127 G K H >X S+ 0 0 44 -4,-2.8 4,-1.6 2,-0.2 3,-0.6 0.898 112.3 54.3 -37.8 -57.7 -44.1 31.9 -17.2 995 128 G F H >X S+ 0 0 3 -4,-3.7 4,-1.9 1,-0.3 3,-1.4 0.950 112.5 39.8 -41.2 -71.3 -47.3 32.8 -19.0 996 129 G L H 3X S+ 0 0 22 -4,-2.4 4,-2.0 1,-0.3 -1,-0.3 0.732 110.1 66.9 -54.3 -20.5 -48.6 34.9 -16.2 997 130 G C H << S+ 0 0 81 -4,-2.2 -1,-0.3 -3,-0.6 -2,-0.2 0.793 105.6 35.8 -76.8 -32.9 -45.0 36.2 -15.8 998 131 G A H < S+ 0 0 16 -4,-3.3 3,-1.7 1,-0.2 4,-0.3 0.915 113.1 54.7 -69.1 -45.6 -46.2 43.6 -20.8 1003 136 G L T 3< S+ 0 0 16 -4,-1.9 -48,-0.2 1,-0.3 -1,-0.2 0.695 113.8 44.5 -60.0 -20.2 -48.8 45.4 -18.7 1004 137 G T T >> S+ 0 0 9 -3,-0.4 3,-1.4 -4,-0.3 4,-0.8 0.262 81.9 103.2-107.8 9.0 -46.0 46.9 -16.6 1005 138 G A T <4 + 0 0 22 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.739 63.1 73.1 -73.3 -24.9 -43.7 47.9 -19.5 1006 139 G K T 34 S+ 0 0 96 -4,-0.3 -1,-0.3 -55,-0.3 -2,-0.1 0.534 101.1 52.7 -64.6 -2.7 -44.5 51.6 -19.4 1007 140 G Y T <4 0 0 16 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.1 0.899 360.0 360.0 -90.3 -73.3 -42.4 51.5 -16.3 1008 141 G R < 0 0 107 -4,-0.8 -1,-0.1 -303,-0.1 -253,-0.1 0.025 360.0 360.0 -37.0 360.0 -39.0 49.8 -17.1 1009 !* 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 1010 1 H V 0 0 75 0, 0.0 2,-0.4 0, 0.0 -145,-0.0 0.000 360.0 360.0 360.0 126.0 -49.1 38.9 15.1 1011 2 H Q - 0 0 162 0, 0.0 2,-0.4 0, 0.0 77,-0.0 -0.995 360.0-143.3-130.3 131.5 -52.4 38.0 16.7 1012 3 H W - 0 0 18 -2,-0.4 2,-0.1 4,-0.0 76,-0.0 -0.749 9.0-140.0 -96.3 135.9 -54.6 35.0 15.7 1013 4 H S > - 0 0 46 -2,-0.4 4,-1.6 1,-0.1 5,-0.2 -0.392 27.3-112.2 -79.4 167.6 -58.4 35.0 15.7 1014 5 H A H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.840 119.0 51.6 -71.3 -34.3 -60.3 31.9 16.9 1015 6 H E H > S+ 0 0 128 2,-0.2 4,-1.1 3,-0.2 -1,-0.2 0.685 107.2 58.9 -74.6 -19.0 -61.6 31.1 13.4 1016 7 H E H >> S+ 0 0 47 2,-0.2 4,-2.1 3,-0.1 3,-0.5 0.991 108.4 36.7 -73.9 -68.5 -58.0 31.3 12.2 1017 8 H K H 3X>S+ 0 0 84 -4,-1.6 4,-2.7 1,-0.3 5,-0.7 0.961 115.1 57.7 -46.9 -59.5 -56.2 28.7 14.3 1018 9 H Q H 3X5S+ 0 0 125 -4,-1.4 4,-1.9 1,-0.2 -1,-0.3 0.854 110.0 47.0 -34.3 -49.0 -59.3 26.5 14.0 1019 10 H L H < S+ 0 0 7 -4,-3.5 3,-1.2 1,-0.2 -2,-0.2 0.882 109.8 62.7 -81.3 -40.7 -56.9 21.8 7.7 1024 15 H W H >< S+ 0 0 47 -4,-3.9 3,-1.4 -5,-0.3 -1,-0.2 0.763 92.9 70.9 -55.2 -24.9 -53.6 20.6 9.0 1025 16 H G T 3< S+ 0 0 61 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.878 100.0 41.6 -62.3 -41.2 -55.4 17.5 10.4 1026 17 H K T < S+ 0 0 133 -3,-1.2 -1,-0.3 -4,-0.4 2,-0.2 0.004 90.2 134.3 -97.4 29.0 -56.1 16.0 7.0 1027 18 H V < - 0 0 25 -3,-1.4 2,-0.8 1,-0.1 3,-0.1 -0.521 53.5-144.7 -82.2 143.9 -52.7 16.7 5.6 1028 19 H N > - 0 0 65 -2,-0.2 4,-4.0 1,-0.2 5,-0.5 -0.832 24.3-178.3-100.3 89.6 -50.5 14.3 3.7 1029 20 H V H > S+ 0 0 40 -2,-0.8 4,-0.6 1,-0.2 48,-0.2 0.889 78.0 42.0 -62.0 -46.7 -47.2 15.5 5.1 1030 21 H A H > S+ 0 0 32 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.942 123.4 39.9 -64.7 -49.6 -44.9 13.2 3.1 1031 22 H D H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.986 120.7 41.2 -62.4 -64.1 -46.9 13.6 -0.0 1032 23 H C H X S+ 0 0 1 -4,-4.0 4,-1.0 1,-0.2 5,-0.3 0.732 115.1 62.1 -53.7 -20.1 -47.6 17.4 0.4 1033 24 H G H X S+ 0 0 3 -4,-0.6 4,-1.1 -5,-0.5 -2,-0.2 0.965 105.3 37.7 -71.8 -54.5 -43.9 17.2 1.5 1034 25 H A H X S+ 0 0 4 -4,-2.5 4,-1.9 -3,-0.2 -2,-0.2 0.724 113.2 57.9 -74.2 -22.7 -42.3 16.0 -1.7 1035 26 H E H X S+ 0 0 55 -4,-1.8 4,-4.9 2,-0.2 5,-0.2 0.967 105.3 43.7 -76.4 -56.4 -44.5 18.0 -4.1 1036 27 H A H X S+ 0 0 5 -4,-1.0 4,-1.6 2,-0.2 5,-0.2 0.987 119.1 44.7 -47.8 -67.0 -43.9 21.5 -3.0 1037 28 H L H >X S+ 0 0 8 -4,-1.1 4,-2.2 -5,-0.3 3,-1.9 0.934 118.9 44.1 -40.0 -62.4 -40.2 20.9 -2.7 1038 29 H A H 3X S+ 0 0 1 -4,-1.9 4,-1.3 1,-0.3 -1,-0.3 0.879 109.2 55.7 -50.5 -46.2 -40.3 19.1 -6.0 1039 30 H R H 3X S+ 0 0 16 -4,-4.9 4,-1.9 1,-0.2 -1,-0.3 0.688 110.6 49.3 -64.5 -15.8 -42.5 21.8 -7.5 1040 31 H L H < - 0 0 28 -4,-3.3 3,-1.1 1,-0.1 -1,-0.3 -0.835 69.4-173.8-135.2 97.3 -37.5 27.8 -9.9 1045 36 H P G > S+ 0 0 30 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.763 78.8 63.3 -65.1 -34.6 -34.3 26.2 -11.3 1046 37 H W G > S+ 0 0 31 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.787 89.9 71.8 -60.8 -27.0 -31.7 28.3 -9.5 1047 38 H T G X S+ 0 0 4 -3,-1.1 3,-0.6 1,-0.3 -1,-0.3 0.529 80.2 73.2 -72.3 -5.3 -33.0 26.8 -6.2 1048 39 H Q G X S+ 0 0 27 -3,-1.6 3,-1.3 1,-0.2 -1,-0.3 0.607 75.2 82.4 -80.9 -12.1 -31.4 23.5 -7.1 1049 40 H R G X S+ 0 0 80 -3,-1.8 3,-0.6 1,-0.3 -1,-0.2 0.794 89.2 51.5 -62.4 -28.5 -28.0 24.9 -6.3 1050 41 H F G < S+ 0 0 64 -3,-0.6 -1,-0.3 1,-0.2 3,-0.2 0.606 109.4 52.3 -81.6 -11.1 -28.5 24.3 -2.6 1051 42 H F G X + 0 0 36 -3,-1.3 3,-2.1 1,-0.1 -1,-0.2 0.069 64.4 123.0-115.3 24.4 -29.4 20.7 -3.2 1052 43 H A G X S+ 0 0 51 -3,-0.6 3,-1.4 1,-0.3 -1,-0.1 0.795 71.5 60.3 -61.6 -30.3 -26.6 19.4 -5.3 1053 44 H S G 3 S+ 0 0 34 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.604 86.6 78.9 -72.8 -8.3 -25.7 16.6 -2.9 1054 45 H F G < S- 0 0 27 -3,-2.1 2,-0.6 1,-0.2 14,-0.3 0.593 97.5-137.5 -77.0 -10.3 -29.3 15.3 -3.5 1055 46 H G < + 0 0 55 -3,-1.4 2,-0.8 -4,-0.2 -1,-0.2 -0.818 64.9 32.4 105.2-117.3 -28.0 13.8 -6.8 1056 47 H N + 0 0 98 -2,-0.6 10,-0.3 1,-0.1 9,-0.2 -0.757 50.0 145.8 -92.2 109.1 -30.0 13.9 -10.0 1057 48 H L + 0 0 19 -2,-0.8 -1,-0.1 8,-0.1 6,-0.1 -0.196 40.4 112.8-126.2 36.8 -32.1 17.1 -10.4 1058 49 H S S S+ 0 0 97 1,-0.1 3,-0.1 2,-0.0 -1,-0.1 0.853 72.8 31.4 -85.0 -39.3 -31.5 17.2 -14.2 1059 50 H S S > S- 0 0 45 1,-0.1 4,-1.9 -3,-0.1 5,-0.2 -0.841 78.8-118.1-118.7 156.7 -35.0 16.5 -15.6 1060 51 H P H >> S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 3,-0.6 0.975 119.4 51.2 -53.8 -46.8 -38.4 17.3 -14.2 1061 52 H T H 34 S+ 0 0 112 1,-0.3 4,-0.0 2,-0.2 -3,-0.0 0.825 106.2 53.7 -59.1 -36.4 -39.0 13.5 -14.1 1062 53 H A H >> S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 3,-0.9 0.870 105.9 54.4 -65.8 -36.8 -35.8 12.9 -12.2 1063 54 H I H << S+ 0 0 5 -4,-1.9 3,-0.2 -3,-0.6 -2,-0.2 0.956 101.8 53.2 -66.6 -53.1 -36.8 15.4 -9.5 1064 55 H L T 3< S+ 0 0 68 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.534 117.2 47.7 -56.7 0.4 -40.1 13.8 -8.7 1065 56 H G T <4 S+ 0 0 41 -3,-0.9 -2,-0.3 -5,-0.2 -1,-0.2 0.750 75.3 106.7-113.6 -38.9 -37.8 10.8 -8.4 1066 57 H N X - 0 0 12 -4,-2.1 4,-2.2 -10,-0.3 5,-0.1 -0.279 56.2-156.9 -47.5 104.1 -34.9 11.9 -6.2 1067 58 H P H > S+ 0 0 93 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.911 89.5 57.4 -55.4 -45.7 -35.7 10.1 -2.9 1068 59 H M H > S+ 0 0 92 -14,-0.3 4,-3.5 1,-0.2 3,-0.5 0.970 106.5 47.7 -49.4 -62.5 -33.6 12.5 -0.9 1069 60 H V H > S+ 0 0 0 -15,-0.3 4,-3.5 1,-0.2 5,-0.3 0.922 113.2 51.9 -37.9 -52.7 -35.6 15.5 -2.2 1070 61 H R H X S+ 0 0 114 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.852 113.7 40.4 -58.8 -43.0 -38.7 13.4 -1.3 1071 62 H A H X S+ 0 0 51 -4,-3.0 4,-0.6 -3,-0.5 3,-0.2 0.944 116.9 49.7 -71.5 -48.1 -37.6 12.7 2.2 1072 63 H H H >X S+ 0 0 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S+ 0 0 169 -4,-3.5 -1,-0.2 1,-0.3 2,-0.2 0.656 127.3 26.9 -63.6 -15.4 -49.0 22.7 16.6 1086 77 H N << + 0 0 82 -4,-0.9 3,-0.5 -3,-0.8 -1,-0.3 -0.673 70.0 167.6-146.3 92.3 -47.7 25.9 18.3 1087 78 H L S S+ 0 0 16 -3,-0.5 3,-0.3 1,-0.2 -3,-0.1 0.567 75.0 50.2 -87.8 -11.6 -48.9 29.0 16.5 1088 79 H D S S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 -5,-0.1 0.434 104.2 58.9-104.8 -1.8 -47.9 31.6 19.1 1089 80 H N > + 0 0 65 -3,-0.5 4,-1.2 -6,-0.2 -1,-0.2 -0.185 69.2 121.4-117.3 41.6 -44.3 30.5 19.6 1090 81 H I H >> + 0 0 12 -3,-0.3 3,-3.1 2,-0.2 4,-1.0 0.968 62.5 58.0 -61.9 -90.1 -43.1 30.8 16.0 1091 82 H K H 34 S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.2 61,-0.1 0.622 115.4 45.1 -9.3 -38.4 -40.2 33.3 16.1 1092 83 H N H >> S+ 0 0 84 2,-0.2 3,-0.9 1,-0.2 4,-0.5 0.805 100.8 60.3 -90.7 -33.4 -38.7 30.7 18.4 1093 84 H T H << S+ 0 0 49 -3,-3.1 4,-0.3 -4,-1.2 -2,-0.2 0.683 114.7 39.5 -69.6 -16.3 -39.4 27.3 16.7 1094 85 H F T 3X S+ 0 0 7 -4,-1.0 4,-0.7 2,-0.1 -1,-0.2 0.334 86.7 97.7-113.6 3.4 -37.3 28.5 13.8 1095 86 H A H <> S+ 0 0 23 -3,-0.9 4,-0.6 -5,-0.3 3,-0.3 0.904 90.2 42.4 -60.8 -44.6 -34.6 30.3 15.8 1096 87 H Q H >X S+ 0 0 147 -4,-0.5 3,-1.8 1,-0.2 4,-1.1 0.980 116.1 47.6 -61.6 -56.9 -32.3 27.3 15.5 1097 88 H L H 3> S+ 0 0 62 -4,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.553 102.2 69.3 -63.3 -5.9 -33.2 26.7 11.8 1098 89 H S H 3X S+ 0 0 0 -4,-0.7 4,-0.6 -3,-0.3 -1,-0.3 0.705 95.2 50.8 -88.7 -22.8 -32.6 30.4 11.3 1099 90 H E H XX>S+ 0 0 94 -3,-1.8 4,-3.6 -4,-0.6 5,-1.1 0.956 110.1 50.9 -70.7 -55.3 -28.9 30.2 11.8 1100 91 H L H 3X>S+ 0 0 50 -4,-1.1 5,-2.3 1,-0.3 4,-0.7 0.910 114.3 41.1 -44.2 -58.9 -28.6 27.3 9.3 1101 92 H H H 3<5S+ 0 0 48 -4,-1.5 6,-1.1 3,-0.2 -1,-0.3 0.677 125.7 36.9 -70.2 -17.1 -30.5 29.1 6.5 1102 93 H C H <<5S+ 0 0 7 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.2 0.860 130.1 17.9-102.0 -47.5 -28.8 32.4 7.2 1103 94 H D H <5S+ 0 0 104 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.1 0.775 132.8 33.5-101.5 -32.7 -25.1 31.9 8.2 1104 95 H K T < - 0 0 35 1,-0.1 3,-2.8 -2,-0.1 4,-0.2 -0.660 16.3-132.8 -82.8 123.1 -32.1 34.6 0.1 1109 100 H P T >> S+ 0 0 40 0, 0.0 3,-4.4 0, 0.0 4,-1.2 0.848 101.4 78.8 -37.4 -51.6 -35.2 35.0 2.1 1110 101 H E H 3> S+ 0 0 78 1,-0.3 4,-0.8 2,-0.2 -2,-0.1 0.617 91.1 58.6 -33.9 -13.3 -37.1 35.8 -1.1 1111 102 H N H <> S+ 0 0 12 -3,-2.8 4,-1.4 2,-0.2 -1,-0.3 0.625 92.5 59.3-101.9 -17.6 -37.0 32.0 -1.4 1112 103 H F H <> S+ 0 0 22 -3,-4.4 4,-1.2 -4,-0.2 -2,-0.2 0.727 104.9 57.3 -74.2 -22.4 -38.8 31.1 1.8 1113 104 H R H X S+ 0 0 88 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.918 105.0 46.7 -72.0 -46.6 -41.6 33.2 0.1 1114 105 H L H X S+ 0 0 18 -4,-0.8 4,-3.1 1,-0.2 -2,-0.2 0.919 110.8 52.6 -61.5 -46.8 -41.8 31.1 -3.1 1115 106 H L H X S+ 0 0 33 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.827 110.8 47.2 -60.2 -36.3 -41.8 27.8 -1.1 1116 107 H G H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.906 113.2 47.3 -72.2 -44.0 -44.7 29.0 1.0 1117 108 H D H X S+ 0 0 17 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.897 115.0 48.7 -60.0 -40.4 -46.6 30.2 -2.0 1118 109 H I H X S+ 0 0 1 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.934 108.5 52.2 -63.4 -47.2 -45.8 26.8 -3.5 1119 110 H L H X S+ 0 0 3 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.866 109.4 50.7 -56.6 -38.0 -46.9 25.1 -0.3 1120 111 H I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.829 108.1 50.1 -71.9 -35.8 -50.2 26.9 -0.6 1121 112 H I H X S+ 0 0 4 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.831 109.3 55.6 -67.9 -30.6 -50.8 26.0 -4.2 1122 113 H V H < S+ 0 0 0 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.801 108.3 45.2 -74.7 -30.7 -50.1 22.4 -3.1 1123 114 H L H X S+ 0 0 2 -4,-1.3 4,-2.9 2,-0.2 3,-0.5 0.899 109.5 56.3 -75.2 -43.5 -52.8 22.4 -0.5 1124 115 H A H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.3 7,-0.2 0.916 108.1 46.4 -54.3 -47.3 -55.3 24.0 -2.8 1125 116 H A H < S+ 0 0 24 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.762 117.1 48.1 -68.1 -20.6 -54.8 21.2 -5.3 1126 117 H H H 4 S+ 0 0 80 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.800 120.5 30.9 -90.9 -32.1 -55.1 18.8 -2.5 1127 118 H F H >< S- 0 0 17 -4,-2.9 3,-1.2 1,-0.2 4,-0.4 0.380 86.0-174.6-104.9 3.3 -58.2 20.1 -0.6 1128 119 H T G >< S+ 0 0 59 -4,-1.2 3,-1.8 -5,-0.3 -1,-0.2 -0.058 70.1 1.9 33.2-125.0 -59.9 21.4 -3.8 1129 120 H K G 3 S+ 0 0 158 1,-0.3 -1,-0.3 -151,-0.3 -2,-0.1 0.862 121.0 72.1 -52.9 -45.6 -63.1 23.3 -2.8 1130 121 H E G < S+ 0 0 108 -3,-1.2 2,-2.0 1,-0.2 -1,-0.3 0.697 78.0 85.1 -47.1 -21.2 -62.7 22.8 1.0 1131 122 H F S < S- 0 0 0 -3,-1.8 -1,-0.2 -4,-0.4 5,-0.2 -0.375 73.3-172.3 -81.5 59.3 -59.9 25.4 0.7 1132 123 H T > - 0 0 60 -2,-2.0 4,-2.0 1,-0.1 3,-0.5 -0.091 39.1-103.6 -53.5 153.8 -62.2 28.4 1.0 1133 124 H P H > S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.815 124.4 54.5 -49.7 -34.7 -60.7 31.8 0.4 1134 125 H E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.920 106.4 50.8 -65.8 -44.3 -60.8 32.4 4.2 1135 126 H C H > S+ 0 0 2 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.858 109.5 52.8 -54.7 -38.4 -58.8 29.2 4.7 1136 127 H Q H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.910 108.3 48.0 -66.4 -44.0 -56.4 30.6 2.0 1137 128 H A H X S+ 0 0 26 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.839 111.6 52.0 -66.4 -32.3 -56.0 33.8 3.9 1138 129 H A H < S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 115.8 39.4 -71.2 -34.4 -55.4 31.8 7.1 1139 130 H W H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.730 112.7 53.5 -90.9 -24.3 -52.7 29.7 5.5 1140 131 H Q H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 3,-0.3 0.947 105.8 54.2 -69.4 -49.6 -51.0 32.4 3.5 1141 132 H K H X S+ 0 0 22 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.715 107.6 55.4 -53.3 -20.7 -50.6 34.4 6.6 1142 133 H L H > S+ 0 0 0 2,-0.2 4,-3.1 -4,-0.2 -1,-0.2 0.905 108.2 41.9 -81.0 -46.8 -48.9 31.3 8.0 1143 134 H V H X S+ 0 0 5 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.775 113.1 58.8 -70.5 -25.0 -46.3 30.9 5.3 1144 135 H R H X S+ 0 0 101 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.959 114.5 32.7 -66.6 -52.4 -45.8 34.6 5.5 1145 136 H V H X S+ 0 0 11 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.949 114.8 58.6 -70.7 -49.1 -45.0 34.6 9.2 1146 137 H V H < S+ 0 0 4 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.928 112.1 43.1 -40.1 -51.4 -43.2 31.2 9.0 1147 138 H A H >X S+ 0 0 17 -4,-2.0 3,-1.1 1,-0.2 4,-0.7 0.874 110.4 55.6 -65.6 -39.1 -40.9 32.9 6.5 1148 139 H H H >< S+ 0 0 52 -4,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.908 107.5 46.8 -64.6 -44.8 -40.5 36.1 8.4 1149 140 H A T 3< S+ 0 0 8 -4,-2.6 -1,-0.3 1,-0.2 3,-0.3 0.470 103.8 68.3 -74.6 -1.0 -39.3 34.4 11.6 1150 141 H L T <4 S+ 0 0 19 -3,-1.1 3,-0.3 -5,-0.3 -1,-0.2 0.666 101.2 43.2 -92.3 -21.1 -37.0 32.4 9.3 1151 142 H A S XX S+ 0 0 10 -3,-1.0 3,-1.7 -4,-0.7 4,-1.2 0.077 77.3 117.8-107.3 20.8 -34.9 35.5 8.4 1152 143 H R T 34 S+ 0 0 59 -3,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.830 76.1 52.1 -52.1 -35.6 -34.8 36.7 12.0 1153 144 H K T 34 S+ 0 0 66 2,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.455 97.4 62.6 -89.7 -3.5 -31.0 36.3 11.9 1154 145 H Y T <4 0 0 52 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.715 360.0 360.0 -79.6 -27.7 -30.7 38.3 8.8 1155 146 H H < 0 0 72 -4,-1.2 -2,-0.3 -3,-0.1 -3,-0.2 0.118 360.0 360.0-126.6 360.0 -32.1 41.0 11.1