==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-APR-09 3H46 . COMPND 2 MOLECULE: GLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS CASSELIFLAVUS; . AUTHOR J.I.YEH,R.D.KETTERING . 1000 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 716 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 68 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.8 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 4 4 2 4 6 0 4 0 0 2 0 0 0 0 2 2 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 2 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 PARALLEL BRIDGES PER LADDER . 8 6 4 0 4 0 8 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 . 6 0 0 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 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 3 X E 0 0 133 0, 0.0 2,-0.4 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 85.1 6.9 53.7 29.8 2 4 X K + 0 0 99 69,-0.1 71,-0.1 1,-0.1 70,-0.1 -0.533 360.0 169.8 -97.6 121.8 8.2 50.4 28.5 3 5 X N + 0 0 78 -2,-0.4 19,-0.5 69,-0.1 2,-0.3 0.085 49.3 68.0-120.8 18.4 8.6 47.3 30.7 4 6 X Y E -Ab 21 73A 67 68,-1.6 70,-3.7 17,-0.2 71,-0.6 -0.972 52.0-152.5-141.4 151.9 9.3 44.2 28.6 5 7 X V E -Ab 20 75A 0 15,-2.1 15,-2.9 -2,-0.3 2,-0.4 -0.978 14.7-147.0-120.2 138.9 12.1 42.8 26.4 6 8 X M E -Ab 19 76A 0 69,-1.8 71,-2.4 -2,-0.4 2,-0.4 -0.888 7.6-162.3-104.0 136.5 11.5 40.3 23.5 7 9 X A E -Ab 18 77A 0 11,-3.2 11,-2.6 -2,-0.4 2,-0.5 -0.961 3.0-159.1-112.1 138.1 14.0 37.5 22.5 8 10 X I E -Ab 17 78A 1 69,-2.5 71,-2.7 -2,-0.4 2,-0.7 -0.983 5.4-169.3-112.3 119.0 13.9 35.8 19.1 9 11 X D E -Ab 16 79A 20 7,-3.7 7,-1.8 -2,-0.5 2,-1.1 -0.918 1.3-169.0-111.1 102.0 15.6 32.4 19.0 10 12 X Q E -Ab 15 80A 0 69,-2.9 71,-2.7 -2,-0.7 5,-0.2 -0.768 22.1-179.0 -94.1 94.0 15.9 31.2 15.4 11 13 X G - 0 0 10 3,-1.6 70,-0.1 -2,-1.1 -2,-0.0 -0.068 40.5 -92.0 -89.0-173.8 16.9 27.5 15.8 12 14 X T S S+ 0 0 13 1,-0.2 3,-0.1 68,-0.1 -1,-0.0 0.895 119.5 13.0 -70.2 -41.5 17.8 24.6 13.5 13 15 X T S S+ 0 0 29 1,-0.2 21,-1.1 20,-0.1 2,-0.3 0.456 132.8 15.1-116.7 -0.2 14.3 23.1 13.3 14 16 X S E - C 0 33A 20 19,-0.2 -3,-1.6 2,-0.0 2,-0.3 -0.975 62.5-130.6-163.4 160.6 12.0 25.8 14.7 15 17 X S E -AC 10 32A 0 17,-2.5 17,-2.5 -2,-0.3 2,-0.3 -0.839 23.4-170.6-115.5 157.0 11.9 29.5 15.7 16 18 X R E -AC 9 31A 25 -7,-1.8 -7,-3.7 -2,-0.3 2,-0.4 -0.993 11.5-161.4-152.6 142.1 10.7 30.9 18.9 17 19 X A E -AC 8 30A 0 13,-2.2 13,-1.6 -2,-0.3 2,-0.4 -0.982 11.4-176.6-126.2 134.5 9.9 34.3 20.4 18 20 X I E -AC 7 29A 3 -11,-2.6 -11,-3.2 -2,-0.4 2,-0.5 -0.995 15.4-150.5-133.7 138.6 9.6 35.1 24.2 19 21 X I E -AC 6 28A 0 9,-2.6 8,-3.1 -2,-0.4 9,-1.2 -0.935 19.7-170.8-106.1 131.0 8.7 38.3 26.0 20 22 X F E -AC 5 26A 1 -15,-2.9 -15,-2.1 -2,-0.5 6,-0.2 -0.880 14.1-135.9-117.5 150.7 10.2 38.8 29.5 21 23 X D E > -A 4 0A 29 4,-1.9 3,-1.8 -2,-0.3 -17,-0.2 -0.346 44.9 -84.3 -90.5-175.0 9.6 41.4 32.2 22 24 X R T 3 S+ 0 0 105 -19,-0.5 -18,-0.1 1,-0.3 -1,-0.0 0.581 130.0 55.0 -73.4 -6.3 12.2 43.2 34.2 23 25 X N T 3 S- 0 0 121 2,-0.1 -1,-0.3 439,-0.0 -3,-0.0 0.488 118.6-109.9 -97.0 -3.8 12.5 40.3 36.6 24 26 X G < + 0 0 16 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.514 68.1 145.2 92.0 4.6 13.2 37.8 33.8 25 27 X K - 0 0 132 1,-0.1 -4,-1.9 2,-0.0 2,-0.3 -0.589 54.7-115.3 -77.0 137.7 9.8 36.0 34.0 26 28 X K E +C 20 0A 108 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.575 33.6 176.6 -69.0 126.1 8.4 34.8 30.8 27 29 X I E - 0 0 44 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.693 67.0 -7.1-103.2 -31.6 5.1 36.6 30.0 28 30 X G E +C 19 0A 0 -9,-1.2 -9,-2.6 39,-0.0 -1,-0.4 -0.964 62.1 176.4-161.9 148.8 4.4 35.1 26.6 29 31 X S E -C 18 0A 30 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.980 7.4-170.1-149.7 165.9 6.0 32.8 24.0 30 32 X S E -C 17 0A 31 -13,-1.6 -13,-2.2 -2,-0.3 2,-0.3 -0.966 4.7-165.9-158.4 138.6 5.4 31.1 20.7 31 33 X Q E -C 16 0A 117 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.969 5.8-178.4-130.8 143.5 7.3 28.4 18.7 32 34 X K E -C 15 0A 105 -17,-2.5 -17,-2.5 -2,-0.3 2,-0.1 -0.978 18.8-137.8-145.5 129.4 6.9 27.3 15.1 33 35 X E E -C 14 0A 144 -2,-0.3 -19,-0.2 -19,-0.3 -20,-0.1 -0.403 20.4-159.9 -74.1 161.3 8.6 24.6 13.1 34 36 X F - 0 0 16 -21,-1.1 17,-0.1 -2,-0.1 16,-0.0 -0.967 32.6 -72.3-143.2 158.7 9.7 25.3 9.4 35 37 X P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 12,-0.4 -0.152 36.7-154.1 -61.6 141.4 10.5 23.0 6.5 36 38 X Q - 0 0 46 10,-0.1 2,-0.4 -23,-0.0 10,-0.2 -0.971 12.0-155.8-109.4 126.2 13.8 21.1 6.4 37 39 X Y B +F 45 0B 79 8,-2.6 8,-2.7 -2,-0.5 3,-0.1 -0.862 18.9 178.0-109.7 135.1 15.2 20.2 3.0 38 40 X F + 0 0 133 -2,-0.4 6,-0.1 6,-0.2 4,-0.0 -0.688 7.9 169.4-129.9 77.3 17.5 17.3 2.2 39 41 X P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.776 70.6 6.9 -66.4 -28.0 18.0 17.4 -1.6 40 42 X K S > S- 0 0 115 3,-0.2 3,-2.5 -3,-0.1 66,-0.1 -0.969 100.9 -68.7-145.8 165.0 20.8 14.9 -1.5 41 43 X S T 3 S+ 0 0 126 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.272 122.3 10.2 -57.0 127.5 22.5 12.6 1.0 42 44 X G T 3 S+ 0 0 31 1,-0.3 63,-3.3 62,-0.0 2,-0.3 0.307 102.5 116.5 86.0 -12.7 24.4 14.7 3.5 43 45 X W < - 0 0 58 -3,-2.5 2,-0.4 61,-0.2 -1,-0.3 -0.740 39.8-176.6 -90.4 142.0 22.9 18.0 2.3 44 46 X V + 0 0 12 -2,-0.3 57,-2.0 57,-0.2 2,-0.3 -0.976 8.2 173.6-139.3 121.7 20.7 20.1 4.5 45 47 X E E -FG 37 100B 23 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.3 -0.928 16.2-161.5-130.0 153.2 19.0 23.3 3.3 46 48 X H E - G 0 99B 0 53,-1.8 53,-2.6 -2,-0.3 2,-0.8 -0.956 26.7-123.1-124.8 145.0 16.5 25.9 4.6 47 49 X N > - 0 0 43 -12,-0.4 4,-2.0 -2,-0.3 3,-0.4 -0.843 21.2-152.0 -81.3 114.1 14.4 28.4 2.6 48 50 X A H > S+ 0 0 1 -2,-0.8 4,-2.3 49,-0.3 -1,-0.1 0.766 94.3 55.0 -62.8 -28.4 15.5 31.7 4.2 49 51 X N H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 108.1 49.0 -67.5 -37.6 12.1 33.3 3.3 50 52 X E H > S+ 0 0 57 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.867 109.7 52.1 -70.2 -33.7 10.3 30.5 5.2 51 53 X I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.951 110.1 48.7 -64.2 -48.1 12.7 31.1 8.1 52 54 X W H X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.904 110.4 51.1 -53.1 -45.3 11.7 34.8 8.0 53 55 X N H X S+ 0 0 62 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.920 107.7 52.8 -62.8 -39.1 8.0 33.8 7.9 54 56 X S H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.895 111.0 46.9 -62.5 -40.1 8.5 31.5 11.0 55 57 X V H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.919 111.1 51.3 -69.3 -43.6 10.1 34.4 12.9 56 58 X Q H X S+ 0 0 18 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.952 110.9 50.4 -54.4 -48.5 7.3 36.8 11.8 57 59 X S H X S+ 0 0 23 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.886 112.1 44.5 -57.8 -45.2 4.8 34.1 13.1 58 60 X V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.803 108.4 56.9 -78.5 -28.1 6.3 33.7 16.5 59 61 X I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.949 112.7 43.2 -59.1 -51.7 6.8 37.4 17.0 60 62 X A H X S+ 0 0 3 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.943 112.3 54.1 -53.7 -47.7 3.0 37.7 16.5 61 63 X G H X S+ 0 0 13 -4,-2.4 4,-2.9 1,-0.2 -32,-0.2 0.832 107.1 49.4 -62.7 -36.5 2.4 34.6 18.7 62 64 X A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 6,-0.3 0.888 113.0 46.6 -71.3 -42.7 4.3 36.0 21.7 63 65 X F H X S+ 0 0 6 -4,-1.8 4,-1.9 2,-0.2 5,-0.3 0.936 114.4 49.9 -60.7 -43.8 2.4 39.3 21.5 64 66 X I H < S+ 0 0 13 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.941 113.9 42.4 -63.0 -49.5 -0.9 37.4 21.1 65 67 X E H < S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.769 118.3 45.6 -68.0 -26.6 -0.3 35.1 24.1 66 68 X S H < S- 0 0 20 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.727 91.8-134.9 -94.7 -24.2 1.1 37.8 26.4 67 69 X G < + 0 0 62 -4,-1.9 -3,-0.1 1,-0.3 -4,-0.1 0.419 60.8 136.6 80.7 -3.3 -1.4 40.6 25.8 68 70 X I - 0 0 24 -5,-0.3 -1,-0.3 -6,-0.3 -2,-0.1 -0.423 49.4-133.5 -79.1 152.4 1.6 43.0 25.6 69 71 X R > - 0 0 93 -2,-0.1 3,-2.8 -3,-0.1 4,-0.2 -0.859 18.5-118.9-110.7 143.7 1.8 45.7 22.9 70 72 X P G > S+ 0 0 4 0, 0.0 3,-1.1 0, 0.0 164,-0.1 0.685 110.8 66.5 -52.8 -25.4 4.8 46.4 20.7 71 73 X E G 3 S+ 0 0 119 1,-0.2 -69,-0.1 162,-0.1 164,-0.1 0.607 96.0 58.7 -74.4 -12.5 5.1 49.9 22.1 72 74 X A G < S+ 0 0 22 -3,-2.8 -68,-1.6 -70,-0.1 2,-0.6 0.390 78.5 105.2 -96.5 3.0 6.0 48.4 25.5 73 75 X I E < -b 4 0A 1 -3,-1.1 -68,-0.2 -4,-0.2 3,-0.1 -0.736 51.8-164.3 -86.2 118.4 9.1 46.5 24.3 74 76 X A E - 0 0 11 -70,-3.7 2,-0.3 -2,-0.6 -69,-0.2 0.834 68.9 -28.4 -67.9 -31.5 12.3 48.2 25.5 75 77 X G E -b 5 0A 0 -71,-0.6 -69,-1.8 161,-0.1 2,-0.4 -0.949 56.1-118.7-179.5 161.4 14.4 46.2 23.0 76 78 X I E -bd 6 238A 0 161,-2.3 163,-2.5 -2,-0.3 164,-1.4 -0.929 16.5-158.6-118.3 133.5 14.8 42.9 21.0 77 79 X G E -bd 7 240A 0 -71,-2.4 -69,-2.5 -2,-0.4 2,-0.4 -0.901 10.7-156.1-109.5 142.8 17.6 40.4 21.3 78 80 X I E +bd 8 241A 0 162,-2.5 164,-1.8 -2,-0.4 2,-0.3 -0.968 14.9 172.7-123.8 131.1 18.2 38.0 18.4 79 81 X T E +bd 9 242A 0 -71,-2.7 -69,-2.9 -2,-0.4 2,-0.3 -0.979 11.4 175.9-138.7 157.0 19.9 34.6 18.7 80 82 X N E -bd 10 243A 0 162,-0.9 164,-3.0 -2,-0.3 165,-0.3 -0.980 41.0 -77.7-159.1 156.7 20.4 31.9 16.1 81 83 X Q - 0 0 0 -71,-2.7 83,-0.5 -2,-0.3 84,-0.2 -0.423 62.4-129.0 -54.0 127.3 21.5 28.7 14.7 82 84 X R S S+ 0 0 2 1,-0.2 2,-2.3 -2,-0.1 20,-0.4 -0.309 74.8 17.2 -81.5 169.5 25.2 29.5 13.8 83 85 X E S S+ 0 0 2 101,-0.2 -1,-0.2 1,-0.2 17,-0.1 -0.072 80.4 134.9 68.5 -36.3 27.2 29.0 10.6 84 86 X T - 0 0 0 -2,-2.3 80,-0.5 1,-0.1 2,-0.4 -0.197 48.5-144.0 -47.8 128.1 24.0 28.6 8.5 85 87 X T E +HI 100 163B 0 15,-2.3 15,-1.9 78,-0.2 2,-0.4 -0.879 24.4 180.0-117.3 127.6 24.6 30.7 5.4 86 88 X V E - I 0 162B 1 76,-2.9 76,-2.2 -2,-0.4 2,-0.4 -0.981 5.8-169.1-120.6 137.5 22.3 33.0 3.3 87 89 X V E + I 0 161B 1 -2,-0.4 9,-2.4 10,-0.3 10,-0.5 -0.998 19.6 175.2-122.3 130.2 23.4 35.0 0.3 88 90 X W E -JI 95 160B 0 72,-2.6 72,-2.9 -2,-0.4 2,-0.6 -0.880 37.0 -97.3-135.6 162.3 20.8 37.5 -1.0 89 91 X D E > - I 0 159B 18 5,-2.2 4,-2.4 -2,-0.3 70,-0.2 -0.739 26.3-144.9 -80.6 119.7 20.3 40.2 -3.6 90 92 X K T 4 S+ 0 0 92 68,-2.5 -1,-0.1 -2,-0.6 69,-0.1 0.777 96.2 41.4 -51.1 -31.2 20.9 43.7 -2.0 91 93 X T T 4 S+ 0 0 129 67,-0.4 -1,-0.2 1,-0.1 68,-0.1 0.926 124.7 28.1 -91.7 -51.3 18.1 45.1 -4.3 92 94 X T T 4 S- 0 0 89 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.734 92.3-136.0 -81.8 -20.2 15.3 42.6 -4.4 93 95 X G < + 0 0 10 -4,-2.4 -3,-0.1 1,-0.3 82,-0.0 0.549 58.2 140.6 72.0 5.6 16.1 41.2 -0.9 94 96 X Q - 0 0 100 -5,-0.2 -5,-2.2 -6,-0.1 -1,-0.3 -0.689 57.7-119.4 -84.1 126.9 15.6 37.8 -2.5 95 97 X P B -J 88 0B 23 0, 0.0 -7,-0.3 0, 0.0 3,-0.1 -0.360 15.4-134.9 -57.1 144.0 17.9 35.0 -1.5 96 98 X I S S- 0 0 43 -9,-2.4 2,-0.3 1,-0.1 -8,-0.1 0.666 80.9 -21.8 -72.8 -13.9 19.8 33.6 -4.5 97 99 X A S S- 0 0 33 -10,-0.5 -10,-0.3 50,-0.0 -49,-0.3 -0.946 96.1 -48.2-175.6 176.0 19.1 30.1 -3.3 98 100 X N - 0 0 45 -2,-0.3 -51,-0.2 -51,-0.1 2,-0.1 -0.254 64.2-104.2 -57.7 149.5 18.2 28.1 -0.2 99 101 X A E -G 46 0B 0 -53,-2.6 -53,-1.8 -13,-0.1 2,-0.6 -0.472 31.8-124.7 -67.4 147.1 20.3 28.8 2.9 100 102 X I E -GH 45 85B 0 -15,-1.9 -15,-2.3 -55,-0.2 -55,-0.2 -0.898 27.3-133.7 -99.6 121.0 22.9 26.1 3.6 101 103 X V > - 0 0 0 -57,-2.0 3,-2.2 -2,-0.6 -57,-0.2 -0.293 17.0-116.8 -74.4 155.7 22.5 24.8 7.1 102 104 X W T 3 S+ 0 0 5 -20,-0.4 -1,-0.1 1,-0.3 -19,-0.1 0.794 116.7 61.9 -56.4 -27.4 25.4 24.3 9.5 103 105 X Q T 3 S+ 0 0 25 -91,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.667 84.5 107.2 -68.6 -19.2 24.4 20.6 9.4 104 106 X S < - 0 0 0 -3,-2.2 -61,-0.2 -60,-0.3 3,-0.2 -0.385 47.6-171.0 -80.1 143.4 25.1 20.3 5.7 105 107 X R > + 0 0 24 -63,-3.3 3,-2.0 1,-0.1 -62,-0.2 0.169 57.6 109.7-106.1 12.1 28.0 18.5 4.0 106 108 X Q T 3 S+ 0 0 6 -64,-0.3 4,-0.2 1,-0.3 -1,-0.1 0.830 79.5 48.9 -62.8 -30.9 27.3 19.8 0.5 107 109 X S T 3> S+ 0 0 0 -3,-0.2 4,-1.8 1,-0.2 3,-0.4 0.275 78.5 108.7 -90.3 13.6 30.4 22.0 0.6 108 110 X S H <> S+ 0 0 24 -3,-2.0 4,-3.9 1,-0.2 5,-0.2 0.871 71.6 59.2 -55.7 -41.0 32.7 19.2 1.8 109 111 X P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.911 107.4 48.1 -56.5 -38.9 34.5 18.8 -1.5 110 112 X I H > S+ 0 0 25 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.924 114.4 44.5 -64.6 -45.4 35.6 22.5 -1.1 111 113 X A H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.915 112.0 54.3 -61.1 -45.6 36.7 21.9 2.5 112 114 X D H X S+ 0 0 61 -4,-3.9 4,-2.6 1,-0.2 -2,-0.2 0.931 107.7 49.4 -55.6 -47.7 38.5 18.7 1.4 113 115 X Q H X S+ 0 0 102 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.910 107.4 54.0 -61.7 -43.8 40.4 20.6 -1.3 114 116 X L H <>S+ 0 0 13 -4,-1.9 5,-2.3 1,-0.2 -1,-0.2 0.876 110.9 47.0 -56.8 -39.8 41.5 23.2 1.2 115 117 X K H ><5S+ 0 0 76 -4,-2.0 3,-1.6 3,-0.2 5,-0.3 0.910 110.1 51.8 -69.0 -43.2 42.9 20.4 3.5 116 118 X V H 3<5S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 106.7 55.2 -57.1 -36.3 44.7 18.7 0.6 117 119 X D T 3<5S- 0 0 86 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.115 119.8-112.5 -86.5 16.3 46.3 22.1 -0.3 118 120 X G T < 5S+ 0 0 57 -3,-1.6 3,-0.4 -5,-0.1 4,-0.3 0.605 72.8 136.3 70.6 19.5 47.7 22.3 3.3 119 121 X H >< + 0 0 45 -5,-2.3 4,-2.2 1,-0.2 5,-0.2 0.426 40.6 97.2 -84.5 3.6 45.6 25.3 4.6 120 122 X T H > S+ 0 0 62 -5,-0.3 4,-2.6 -6,-0.2 5,-0.3 0.961 81.3 48.2 -53.5 -63.2 44.8 23.7 8.0 121 123 X E H > S+ 0 0 139 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.809 116.0 45.4 -47.8 -39.7 47.5 25.4 10.1 122 124 X M H > S+ 0 0 34 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.853 112.0 47.7 -80.4 -37.8 46.7 28.9 8.6 123 125 X I H X S+ 0 0 1 -4,-2.2 4,-2.4 -3,-0.3 6,-0.4 0.953 115.1 47.6 -64.3 -48.7 42.9 28.8 8.9 124 126 X H H X S+ 0 0 34 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.921 110.0 50.9 -59.8 -48.0 43.1 27.5 12.5 125 127 X E H < S+ 0 0 99 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.886 118.1 40.1 -59.2 -36.3 45.7 30.1 13.6 126 128 X K H < S+ 0 0 25 -4,-1.5 67,-2.0 -5,-0.1 68,-0.7 0.871 130.5 21.0 -77.3 -37.3 43.5 32.9 12.1 127 129 X T H < S- 0 0 0 -4,-2.4 -3,-0.2 65,-0.2 -2,-0.2 0.590 89.1-122.0-115.4 -14.4 40.0 31.8 13.1 128 130 X G S < S+ 0 0 3 -4,-2.4 159,-2.6 -5,-0.3 -4,-0.2 0.371 82.7 101.1 81.7 -1.8 40.3 29.4 16.1 129 131 X L - 0 0 0 -6,-0.4 2,-0.3 157,-0.2 -1,-0.3 -0.159 69.3-119.9-104.4-171.2 38.4 26.8 13.8 130 132 X V - 0 0 38 -3,-0.1 2,-0.7 -7,-0.1 5,-0.2 -0.919 39.9 -92.4-128.7 158.1 39.2 23.8 11.6 131 133 X I S S+ 0 0 5 -2,-0.3 2,-0.3 3,-0.1 -11,-0.1 -0.623 70.8 132.3 -74.6 114.8 38.6 23.4 7.9 132 134 X D S > S- 0 0 12 -2,-0.7 3,-1.5 1,-0.0 6,-0.3 -0.973 70.8-113.0-162.5 146.8 35.2 21.8 7.6 133 135 X A T 3 S+ 0 0 0 -2,-0.3 -26,-0.1 1,-0.3 -29,-0.1 0.677 104.4 83.0 -53.7 -20.8 31.9 22.1 5.7 134 136 X Y T 3 S+ 0 0 0 -31,-0.1 -1,-0.3 -29,-0.1 -30,-0.1 0.887 81.0 69.2 -47.3 -45.4 30.4 23.1 9.2 135 137 X F S <> S- 0 0 0 -3,-1.5 4,-0.6 -5,-0.2 3,-0.4 -0.284 90.0-112.2 -88.2 166.2 31.5 26.7 9.0 136 138 X S H >> S+ 0 0 0 51,-1.0 4,-2.6 1,-0.2 3,-0.6 0.787 98.5 76.1 -68.4 -31.4 30.2 29.4 6.7 137 139 X A H 3> S+ 0 0 1 51,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.900 99.3 40.4 -56.1 -48.2 33.2 30.0 4.5 138 140 X T H 3> S+ 0 0 1 -3,-0.4 4,-2.5 -6,-0.3 -1,-0.3 0.792 111.4 59.4 -74.5 -19.3 32.9 26.9 2.3 139 141 X K H < S- 0 0 45 -4,-2.1 3,-2.5 -5,-0.2 4,-0.4 -0.879 86.8-119.0 -96.5 109.0 24.6 29.5 -8.5 148 150 X E T 3 S+ 0 0 190 -2,-0.8 -2,-0.1 1,-0.3 -3,-0.1 -0.201 93.5 5.7 -51.7 127.1 25.0 30.6 -12.1 149 151 X G T 3> S+ 0 0 39 -5,-0.1 4,-2.3 1,-0.0 -1,-0.3 0.231 96.9 115.1 86.7 -12.8 26.0 34.3 -12.3 150 152 X A H <> S+ 0 0 3 -3,-2.5 4,-2.5 1,-0.2 5,-0.2 0.884 71.9 50.9 -61.6 -41.6 26.4 34.6 -8.6 151 153 X Q H > S+ 0 0 32 -7,-0.6 4,-2.6 -4,-0.4 -1,-0.2 0.935 111.4 49.0 -65.7 -41.2 30.1 35.2 -8.5 152 154 X E H > S+ 0 0 139 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.940 112.7 45.8 -63.6 -45.1 29.8 38.0 -11.1 153 155 X K H <>S+ 0 0 73 -4,-2.3 5,-2.5 2,-0.2 6,-0.5 0.900 113.3 51.7 -61.0 -39.5 26.9 39.7 -9.1 154 156 X A H ><5S+ 0 0 0 -4,-2.5 3,-1.6 -5,-0.2 -2,-0.2 0.926 108.3 50.6 -60.6 -46.1 29.0 39.3 -5.9 155 157 X D H 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.676 108.1 55.1 -63.6 -22.7 32.0 40.9 -7.6 156 158 X N T 3<5S- 0 0 94 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.105 119.4-107.7-100.9 18.5 29.8 43.8 -8.7 157 159 X G T < 5S+ 0 0 18 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.653 87.6 116.4 70.5 19.3 28.6 44.6 -5.1 158 160 X E < + 0 0 75 -5,-2.5 -68,-2.5 -6,-0.2 -67,-0.4 0.616 59.2 62.6 -97.3 -16.3 25.1 43.2 -5.7 159 161 X L E -I 89 0B 0 -6,-0.5 2,-0.3 -70,-0.2 -70,-0.2 -0.884 62.2-156.1-117.7 143.8 24.9 40.3 -3.3 160 162 X L E -I 88 0B 10 -72,-2.9 -72,-2.6 -2,-0.4 2,-0.3 -0.903 6.9-145.7-116.5 148.4 25.2 40.2 0.5 161 163 X F E +I 87 0B 1 51,-2.9 2,-0.3 -2,-0.3 -74,-0.2 -0.847 25.4 162.9-107.5 146.8 26.2 37.4 2.8 162 164 X G E -I 86 0B 0 -76,-2.2 -76,-2.9 -2,-0.3 2,-0.1 -0.951 35.4-136.2-161.4 140.0 24.8 36.8 6.2 163 165 X T E > -I 85 0B 2 -2,-0.3 4,-2.0 -78,-0.2 3,-0.2 -0.343 59.8 -84.4 -74.1 177.0 24.5 34.1 8.9 164 166 X I H > S+ 0 0 0 -80,-0.5 4,-2.8 -83,-0.5 5,-0.2 0.847 129.0 57.8 -62.5 -38.9 20.9 34.1 10.3 165 167 X D H > S+ 0 0 0 -84,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 110.2 45.4 -51.7 -51.0 21.4 36.9 12.8 166 168 X S H > S+ 0 0 0 -3,-0.2 4,-2.3 1,-0.2 13,-0.3 0.895 112.0 50.7 -64.0 -44.2 22.4 39.1 10.0 167 169 X W H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.911 111.5 48.5 -56.8 -48.1 19.5 38.0 7.7 168 170 X L H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.901 111.2 48.6 -63.7 -41.3 16.9 38.7 10.5 169 171 X V H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 8,-0.3 0.911 111.9 51.2 -66.9 -36.7 18.3 42.1 11.3 170 172 X W H <>S+ 0 0 22 -4,-2.3 5,-3.4 -5,-0.2 6,-0.3 0.951 113.3 43.4 -62.5 -48.0 18.3 42.9 7.6 171 173 X K H ><5S+ 0 0 40 -4,-2.6 3,-1.3 3,-0.2 57,-0.3 0.920 113.7 51.3 -61.7 -44.6 14.6 41.8 7.3 172 174 X L H 3<5S+ 0 0 0 -4,-2.8 55,-2.4 1,-0.3 56,-0.3 0.804 114.3 42.8 -63.2 -33.4 13.6 43.6 10.5 173 175 X T T ><5S- 0 0 0 -4,-1.9 3,-1.1 53,-0.2 -1,-0.3 0.258 112.3-121.4 -94.8 10.2 15.2 46.9 9.4 174 176 X D T < 5S- 0 0 81 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.900 77.8 -43.3 41.7 49.0 13.7 46.4 5.9 175 177 X G T 3 -k 217 0C 0 -2,-0.3 4,-2.8 35,-0.2 37,-0.2 -0.531 33.1-102.6 -92.6 161.6 27.9 40.3 16.2 182 184 X Y H > S+ 0 0 49 35,-1.5 4,-2.3 1,-0.2 107,-0.2 0.839 118.7 52.2 -46.0 -47.0 31.5 39.1 17.1 183 185 X S H > S+ 0 0 0 58,-0.2 4,-0.7 2,-0.2 106,-0.2 0.953 113.1 42.5 -65.4 -49.5 30.3 35.6 18.2 184 186 X N H >4 S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 -101,-0.2 0.946 114.4 53.3 -59.8 -46.3 28.4 34.9 14.9 185 187 X A H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 5,-0.5 0.881 100.7 59.7 -52.7 -41.6 31.3 36.4 12.9 186 188 X S H 3< S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.723 99.6 59.4 -66.2 -17.1 33.9 34.1 14.6 187 189 X R T << S+ 0 0 0 -3,-1.3 -51,-1.0 -4,-0.7 -1,-0.3 0.441 85.5 76.9 -91.6 -3.5 31.9 31.1 13.2 188 190 X T S < S- 0 0 1 -3,-1.7 -51,-2.2 -4,-0.2 -1,-0.2 0.685 91.8-132.5 -76.6 -23.0 32.2 32.0 9.5 189 191 X M S S+ 0 0 2 -3,-0.4 -3,-0.1 -4,-0.3 -2,-0.1 0.633 94.6 86.5 69.7 15.4 35.9 30.9 9.2 190 192 X L + 0 0 0 -5,-0.5 9,-2.6 -63,-0.1 2,-0.5 0.310 69.7 87.7-115.0 -1.1 36.3 34.3 7.4 191 193 X Y E S-L 198 0D 6 -6,-0.3 2,-0.7 7,-0.3 7,-0.2 -0.883 70.6-138.5-114.1 128.2 36.9 36.3 10.6 192 194 X N E >> -L 197 0D 7 5,-2.7 5,-1.1 -2,-0.5 4,-1.0 -0.744 15.8-170.3 -82.7 115.9 40.3 36.8 12.2 193 195 X I T 45S+ 0 0 1 -67,-2.0 -1,-0.2 -2,-0.7 -66,-0.1 0.628 83.1 52.0 -84.8 -15.1 39.6 36.4 15.9 194 196 X H T 45S+ 0 0 117 -68,-0.7 -1,-0.1 -69,-0.1 -68,-0.1 0.919 121.8 30.4 -78.3 -50.6 43.1 37.7 17.0 195 197 X K T 45S- 0 0 134 -69,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.573 100.6-132.6 -84.1 -10.1 42.9 40.9 14.9 196 198 X L T <5 + 0 0 58 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.935 69.8 95.4 56.6 51.7 39.1 41.3 15.1 197 199 X E E - 0 0 2 -9,-2.6 4,-2.4 1,-0.2 3,-0.3 -0.713 24.0-164.4 -90.4 107.9 40.6 38.2 7.1 200 202 X Q H > S+ 0 0 93 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.851 88.7 56.0 -56.9 -40.3 41.7 39.4 3.7 201 203 X E H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 110.2 44.8 -63.3 -40.9 44.0 36.5 3.1 202 204 X I H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.950 112.5 52.1 -66.8 -45.0 41.1 34.0 3.7 203 205 X L H <>S+ 0 0 1 -4,-2.4 5,-2.7 1,-0.2 4,-0.3 0.866 111.8 46.2 -59.2 -38.3 38.8 36.0 1.5 204 206 X D H ><5S+ 0 0 105 -4,-2.5 3,-1.0 3,-0.2 -1,-0.2 0.918 108.4 55.5 -71.2 -43.8 41.3 36.1 -1.4 205 207 X L H 3<5S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.848 118.3 34.9 -52.4 -37.4 42.0 32.4 -1.1 206 208 X L T 3<5S- 0 0 10 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.348 108.3-123.2-101.9 2.3 38.2 31.7 -1.5 207 209 X N T < 5 + 0 0 90 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.924 54.7 155.8 51.3 49.5 37.6 34.5 -3.9 208 210 X I < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.932 42.1-128.7-107.0 115.2 34.9 36.1 -1.7 209 211 X P > - 0 0 19 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.376 9.6-136.9 -61.9 133.9 34.4 39.8 -2.4 210 212 X S G > S+ 0 0 73 1,-0.3 3,-1.6 2,-0.2 -55,-0.0 0.733 97.8 74.9 -69.4 -19.0 34.6 41.9 0.8 211 213 X S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 -57,-0.1 -56,-0.1 0.707 87.6 64.2 -65.7 -16.5 31.6 44.0 -0.3 212 214 X M G < S+ 0 0 0 -3,-1.6 -51,-2.9 -52,-0.1 -1,-0.3 0.700 85.8 97.3 -69.7 -22.0 29.4 40.9 0.6 213 215 X L < - 0 0 20 -3,-1.6 -51,-0.1 -4,-0.2 -35,-0.1 -0.460 69.6-129.9 -89.5 137.5 30.3 41.1 4.3 214 216 X P - 0 0 3 0, 0.0 -35,-0.3 0, 0.0 2,-0.2 -0.348 35.2 -97.1 -70.6 164.5 28.2 42.7 7.1 215 217 X E E -k 179 0C 95 -37,-2.1 -35,-1.6 1,-0.0 2,-0.5 -0.529 40.4-127.5 -71.8 147.6 29.8 45.1 9.6 216 218 X V E +k 180 0C 32 -37,-0.2 -35,-0.2 -2,-0.2 2,-0.2 -0.891 34.4 172.1-107.7 128.4 30.8 43.4 12.8 217 219 X K E -k 181 0C 63 -37,-2.8 -35,-1.5 -2,-0.5 75,-0.1 -0.692 35.3 -83.4-126.1 173.4 29.6 44.8 16.1 218 220 X 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4,-2.2 -5,-0.3 -1,-0.2 0.875 105.7 53.8 -63.7 -40.4 -39.2 22.3 29.8 615 116 O L H <>S+ 0 0 13 -4,-1.8 5,-2.2 2,-0.2 6,-0.3 0.841 110.3 48.5 -60.4 -36.5 -40.2 25.1 27.4 616 117 O K H ><5S+ 0 0 72 -4,-1.8 3,-1.9 3,-0.2 5,-0.3 0.941 110.1 49.9 -68.1 -49.3 -42.0 22.5 25.2 617 118 O V H 3<5S+ 0 0 117 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.834 107.7 54.7 -58.0 -35.6 -43.8 20.8 28.2 618 119 O D T 3<5S- 0 0 92 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.405 120.9-114.1 -81.3 2.9 -45.0 24.3 29.3 619 120 O G T < 5S+ 0 0 60 -3,-1.9 3,-0.3 -5,-0.1 4,-0.3 0.697 74.8 128.5 83.5 27.4 -46.4 24.7 25.7 620 121 O H >< + 0 0 47 -5,-2.2 4,-2.5 1,-0.2 5,-0.3 0.443 38.4 102.2 -96.4 -1.9 -44.4 27.5 24.1 621 122 O T H > S+ 0 0 66 -5,-0.3 4,-2.5 -6,-0.3 -1,-0.2 0.903 83.7 45.4 -48.2 -51.8 -43.4 25.7 20.9 622 123 O E H > S+ 0 0 134 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.913 112.7 48.4 -65.8 -45.8 -46.0 27.4 18.7 623 124 O M H > S+ 0 0 39 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.920 112.4 50.2 -58.6 -45.9 -45.4 31.0 20.0 624 125 O I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 6,-0.4 0.931 110.8 48.9 -62.0 -46.2 -41.7 30.7 19.6 625 126 O H H X S+ 0 0 34 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.895 108.4 52.9 -62.4 -38.4 -42.0 29.4 16.1 626 127 O E H < S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.875 117.7 37.3 -65.9 -36.9 -44.4 32.2 15.0 627 128 O K H < S+ 0 0 24 -4,-1.8 67,-2.1 -5,-0.2 68,-0.6 0.797 131.1 23.4 -78.9 -37.6 -42.0 34.9 16.3 628 129 O T H < S- 0 0 0 -4,-2.3 -3,-0.2 65,-0.2 -2,-0.2 0.581 87.9-126.9-113.5 -16.4 -38.5 33.5 15.4 629 130 O G S < S+ 0 0 2 -4,-2.0 159,-2.3 -5,-0.4 -4,-0.2 0.386 79.0 102.1 79.5 -3.8 -39.1 31.0 12.5 630 131 O L S S- 0 0 0 -6,-0.4 2,-0.3 157,-0.2 -1,-0.3 -0.215 70.6-115.3-100.3-171.6 -37.2 28.5 14.6 631 132 O V - 0 0 39 -3,-0.1 2,-0.8 -2,-0.1 5,-0.2 -0.940 38.4 -95.1-126.4 149.5 -38.1 25.4 16.8 632 133 O I S S+ 0 0 7 -2,-0.3 2,-0.3 -11,-0.1 -11,-0.1 -0.543 72.7 131.5 -66.6 107.9 -37.6 25.0 20.6 633 134 O D S > S- 0 0 25 -2,-0.8 3,-1.2 1,-0.0 6,-0.3 -0.980 71.4-113.3-154.8 150.5 -34.3 23.2 20.7 634 135 O A T 3 S+ 0 0 1 -2,-0.3 -26,-0.2 1,-0.2 6,-0.1 0.634 103.1 84.8 -56.5 -17.0 -30.9 23.4 22.6 635 136 O Y T 3 S+ 0 0 5 -31,-0.1 -1,-0.2 -29,-0.1 -30,-0.1 0.882 80.5 69.8 -51.7 -44.8 -29.4 24.2 19.1 636 137 O F S <> S- 0 0 1 -3,-1.2 4,-0.7 -5,-0.2 3,-0.4 -0.268 90.4-110.1 -86.4 167.3 -30.2 28.0 19.4 637 138 O S H > S+ 0 0 0 51,-1.0 4,-2.6 1,-0.2 3,-0.5 0.803 99.1 75.0 -66.5 -32.9 -28.8 30.7 21.6 638 139 O A H > S+ 0 0 0 51,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.877 99.5 39.6 -55.5 -51.4 -31.7 31.3 23.9 639 140 O T H > S+ 0 0 0 -3,-0.4 4,-2.6 -6,-0.3 -1,-0.3 0.779 111.4 60.1 -72.5 -24.3 -31.5 28.2 26.1 640 141 O K H X S+ 0 0 0 -4,-0.7 4,-2.2 -3,-0.5 -2,-0.2 0.936 107.1 46.6 -64.2 -47.9 -27.7 28.5 26.2 641 142 O V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.952 112.5 49.6 -55.5 -50.7 -28.1 32.0 27.8 642 143 O R H X S+ 0 0 24 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.928 109.8 52.1 -55.5 -44.8 -30.7 30.6 30.3 643 144 O W H X S+ 0 0 32 -4,-2.6 4,-2.2 1,-0.2 3,-0.3 0.921 109.8 48.1 -55.4 -46.4 -28.2 27.7 31.1 644 145 O L H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.889 113.2 47.5 -65.9 -37.8 -25.4 30.2 31.8 645 146 O L H < S+ 0 0 8 -4,-2.4 7,-0.6 1,-0.2 -1,-0.2 0.665 115.3 46.7 -79.1 -17.7 -27.6 32.4 34.1 646 147 O D H < S+ 0 0 87 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.806 123.0 30.8 -81.9 -38.3 -28.9 29.3 35.9 647 148 O N H < S+ 0 0 74 -4,-2.2 2,-0.7 -5,-0.2 -2,-0.2 0.658 95.9 81.0-108.2 -20.0 -25.6 27.6 36.5 648 149 O I S >< S- 0 0 46 -4,-2.1 3,-2.3 -5,-0.2 4,-0.4 -0.833 89.6-114.8 -92.5 113.4 -22.9 30.3 36.8 649 150 O E T 3 S+ 0 0 176 -2,-0.7 -2,-0.1 1,-0.3 -3,-0.1 -0.242 93.8 2.2 -53.6 124.6 -23.1 31.5 40.4 650 151 O G T 3> S+ 0 0 49 -5,-0.1 4,-2.1 -4,-0.1 -1,-0.3 0.329 94.6 118.7 85.2 -8.9 -24.2 35.1 40.6 651 152 O A H <> S+ 0 0 3 -3,-2.3 4,-2.5 1,-0.2 5,-0.2 0.901 71.5 52.1 -58.1 -44.9 -24.5 35.5 36.8 652 153 O Q H > S+ 0 0 33 -7,-0.6 4,-2.2 -4,-0.4 -1,-0.2 0.869 110.6 48.2 -60.0 -41.1 -28.3 36.3 36.9 653 154 O E H > S+ 0 0 137 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.889 111.6 48.7 -69.1 -38.3 -27.8 39.1 39.5 654 155 O K H ><>S+ 0 0 76 -4,-2.1 5,-2.5 1,-0.2 3,-0.5 0.920 112.5 49.8 -66.0 -41.5 -24.9 40.6 37.5 655 156 O A H ><5S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.876 108.0 52.2 -60.9 -42.1 -27.0 40.4 34.3 656 157 O D H 3<5S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.660 108.6 53.9 -67.3 -17.5 -30.0 42.2 36.2 657 158 O N T <<5S- 0 0 97 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.051 118.3-111.1-105.8 21.2 -27.5 44.9 37.1 658 159 O G T < 5S+ 0 0 19 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.643 85.6 116.9 63.2 22.0 -26.3 45.6 33.6 659 160 O E < + 0 0 83 -5,-2.5 -68,-3.2 -6,-0.1 -67,-0.4 0.659 60.8 62.7 -97.4 -16.2 -22.8 44.1 34.1 660 161 O L E -C 590 0I 0 -6,-0.4 2,-0.4 -70,-0.3 -70,-0.2 -0.864 61.3-159.0-114.4 144.6 -22.9 41.2 31.6 661 162 O L E -C 589 0I 10 -72,-3.2 -72,-3.0 -2,-0.3 2,-0.3 -0.937 7.1-147.1-120.2 149.4 -23.3 41.1 27.9 662 163 O F E +C 588 0I 1 51,-2.6 2,-0.3 -2,-0.4 -74,-0.2 -0.790 25.3 162.3-103.1 146.3 -24.5 38.3 25.6 663 164 O G E -C 587 0I 0 -76,-2.5 -76,-2.6 -2,-0.3 2,-0.1 -0.928 36.5-129.2-161.2 150.4 -23.2 37.7 22.2 664 165 O T E > -C 586 0I 1 -2,-0.3 4,-2.4 -78,-0.2 5,-0.2 -0.265 57.8 -86.6 -73.8 177.6 -23.0 35.2 19.4 665 166 O I H > S+ 0 0 0 -80,-0.5 4,-2.7 -83,-0.5 5,-0.2 0.847 128.1 57.2 -65.6 -37.2 -19.4 34.8 18.0 666 167 O D H > S+ 0 0 0 -84,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.954 111.8 44.2 -51.5 -51.1 -19.8 37.7 15.5 667 168 O S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 13,-0.3 0.908 111.8 51.6 -63.6 -46.7 -20.6 40.1 18.4 668 169 O W H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.935 112.1 47.1 -54.4 -49.3 -17.9 38.7 20.6 669 170 O L H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.910 111.5 48.4 -64.5 -44.1 -15.3 39.3 17.9 670 171 O V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 8,-0.3 0.916 111.2 52.9 -61.5 -41.4 -16.4 42.8 17.0 671 172 O W H <>S+ 0 0 20 -4,-2.6 5,-3.1 -5,-0.2 6,-0.3 0.957 112.3 44.9 -51.9 -54.1 -16.4 43.6 20.8 672 173 O K H ><5S+ 0 0 44 -4,-2.5 3,-1.4 1,-0.2 57,-0.3 0.921 112.9 49.7 -57.3 -49.8 -12.8 42.3 20.9 673 174 O L H 3<5S+ 0 0 1 -4,-3.0 55,-2.8 1,-0.3 -1,-0.2 0.759 115.6 42.7 -62.4 -32.7 -11.6 44.1 17.8 674 175 O T T ><5S- 0 0 0 -4,-2.2 3,-1.8 53,-0.2 -1,-0.3 0.183 110.3-122.6 -95.5 13.6 -13.1 47.5 19.0 675 176 O D T < 5S- 0 0 81 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.897 76.9 -43.7 38.5 48.7 -11.8 46.9 22.5 676 177 O G T 3 -e 718 0J 0 -2,-0.3 4,-2.8 35,-0.2 5,-0.2 -0.633 32.8-102.0 -93.8 166.8 -26.3 41.5 12.3 683 184 O Y H > S+ 0 0 51 35,-1.6 4,-2.3 1,-0.2 107,-0.2 0.850 118.9 53.1 -50.8 -39.4 -29.9 40.3 11.3 684 185 O S H > S+ 0 0 0 58,-0.2 4,-0.6 1,-0.2 106,-0.2 0.948 113.3 40.9 -71.5 -45.3 -28.7 36.8 10.3 685 186 O N H >4 S+ 0 0 0 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.938 114.4 52.2 -66.3 -45.7 -26.9 36.1 13.5 686 187 O A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 5,-0.5 0.900 102.4 60.8 -54.1 -40.8 -29.7 37.7 15.7 687 188 O S H 3< S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.701 99.8 57.2 -62.4 -16.8 -32.3 35.5 13.9 688 189 O R T << S+ 0 0 0 -3,-1.4 -51,-1.0 -4,-0.6 -1,-0.3 0.490 88.0 76.3 -92.1 -6.8 -30.5 32.4 15.2 689 190 O T S < S- 0 0 1 -3,-1.8 -51,-2.3 -4,-0.3 -1,-0.2 0.728 90.5-134.6 -76.8 -24.4 -30.7 33.3 18.9 690 191 O M S S+ 0 0 0 -4,-0.4 -3,-0.1 -3,-0.3 -62,-0.1 0.647 92.8 86.9 68.3 20.7 -34.4 32.4 19.3 691 192 O L S S+ 0 0 0 -5,-0.5 9,-2.9 -63,-0.1 2,-0.5 0.305 71.5 86.3-119.1 -1.6 -34.7 35.7 21.1 692 193 O Y E S-F 699 0K 6 -6,-0.4 2,-0.7 7,-0.3 7,-0.2 -0.889 71.5-137.8-114.9 129.5 -35.3 37.8 18.0 693 194 O N E >> -F 698 0K 6 5,-3.0 5,-1.4 -2,-0.5 4,-1.0 -0.752 14.9-166.7 -87.0 113.0 -38.6 38.4 16.3 694 195 O I T 45S+ 0 0 0 -67,-2.1 -1,-0.2 -2,-0.7 -66,-0.1 0.625 83.0 49.2 -79.0 -15.5 -38.0 38.1 12.6 695 196 O H T 45S+ 0 0 96 -68,-0.6 -1,-0.2 3,-0.1 -68,-0.1 0.883 120.8 32.1 -86.9 -48.0 -41.3 39.6 11.5 696 197 O K T 45S- 0 0 137 -69,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.590 104.2-133.1 -80.7 -10.7 -41.2 42.8 13.6 697 198 O L T <5 + 0 0 57 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.972 66.3 100.0 52.4 64.3 -37.4 42.8 13.4 698 199 O E E - 0 0 4 -9,-2.9 4,-2.1 1,-0.2 3,-0.3 -0.748 23.2-164.4 -92.3 110.6 -38.8 39.8 21.4 701 202 O Q H > S+ 0 0 96 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.822 86.0 56.4 -64.2 -35.9 -39.7 41.1 24.8 702 203 O E H > S+ 0 0 112 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 110.4 45.1 -63.3 -40.9 -42.2 38.2 25.6 703 204 O I H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.921 111.8 53.0 -70.4 -40.3 -39.5 35.6 25.0 704 205 O L H <>S+ 0 0 2 -4,-2.1 5,-2.0 2,-0.2 4,-0.4 0.903 112.0 45.1 -58.1 -42.6 -37.0 37.6 27.0 705 206 O D H ><5S+ 0 0 110 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.938 109.5 55.5 -69.7 -45.0 -39.5 37.8 29.9 706 207 O L H 3<5S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.864 116.8 37.1 -50.2 -41.3 -40.3 34.1 29.6 707 208 O L T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.364 105.6-124.9 -95.5 1.4 -36.6 33.3 29.9 708 209 O N T < 5 + 0 0 89 -3,-1.4 -3,-0.2 -4,-0.4 -4,-0.1 0.887 56.5 151.1 50.7 44.3 -35.7 36.0 32.5 709 210 O I < - 0 0 4 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.922 45.7-129.3-102.2 112.6 -32.9 37.4 30.3 710 211 O P > - 0 0 22 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.414 9.5-135.1 -62.2 137.6 -32.4 41.2 31.0 711 212 O S G > S+ 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