==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, HYDROLASE 21-AUG-12 4GPI . COMPND 2 MOLECULE: PHOSPHOGLYCERATE MUTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.ZHOU,C.HE . 475 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 6.1 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 . 2 0.4 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 . 1 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 . 18 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 3 3 0 1 1 0 0 2 2 1 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 . 5 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 B A 0 0 93 0, 0.0 218,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -45.6 -57.2 -11.1 -13.1 2 4 B Y E -A 218 0A 40 216,-2.1 216,-3.1 215,-0.1 2,-0.5 -0.417 360.0-149.4 -62.5 133.8 -55.2 -9.8 -10.0 3 5 B K E -A 217 0A 79 214,-0.2 176,-0.6 -2,-0.1 2,-0.4 -0.911 16.3-179.5-110.1 128.0 -51.6 -11.3 -9.9 4 6 B L E -Ab 216 179A 1 212,-2.6 212,-3.0 -2,-0.5 2,-0.5 -0.990 8.4-160.6-127.9 129.9 -49.9 -11.9 -6.5 5 7 B V E -Ab 215 180A 1 174,-2.1 176,-2.4 -2,-0.4 2,-0.4 -0.930 6.1-173.2-116.5 131.3 -46.3 -13.3 -6.2 6 8 B L E -Ab 214 181A 0 208,-2.9 208,-3.8 -2,-0.5 2,-0.3 -0.890 0.4-173.8-114.0 147.7 -44.9 -14.9 -3.1 7 9 B I E - b 0 182A 0 174,-2.2 176,-1.9 -2,-0.4 2,-0.4 -0.962 12.2-152.3-144.8 131.2 -41.3 -16.0 -2.5 8 10 B R E - b 0 183A 49 201,-0.5 203,-2.8 204,-0.4 204,-0.3 -0.830 31.6-111.7 -98.1 133.5 -39.9 -17.9 0.4 9 11 B H - 0 0 2 174,-1.8 176,-0.1 -2,-0.4 3,-0.1 -0.212 32.2-129.6 -64.8 156.8 -36.2 -17.2 1.1 10 12 B G - 0 0 3 22,-0.3 22,-0.2 1,-0.2 -1,-0.1 0.196 53.3 -19.3 -88.3-149.4 -33.7 -20.0 0.6 11 13 B E - 0 0 89 17,-0.1 18,-2.5 1,-0.1 21,-0.3 -0.256 58.0-151.1 -65.1 133.8 -30.9 -21.5 2.7 12 14 B S B > -G 28 0B 1 16,-0.3 3,-0.7 1,-0.2 5,-0.3 -0.656 32.6 -80.5-100.3 162.0 -29.5 -19.6 5.6 13 15 B A G > S+ 0 0 17 14,-2.5 3,-2.1 -2,-0.2 -1,-0.2 -0.099 107.2 17.2 -58.5 152.9 -26.0 -19.8 7.0 14 16 B W G 3 S- 0 0 176 1,-0.3 -1,-0.2 2,-0.1 12,-0.0 0.784 122.3 -75.3 59.3 32.1 -24.9 -22.6 9.3 15 17 B N G X S+ 0 0 82 -3,-0.7 3,-2.4 1,-0.1 -1,-0.3 0.703 84.9 151.8 59.2 19.5 -27.8 -24.9 8.5 16 18 B L G X > + 0 0 3 -3,-2.1 3,-1.8 1,-0.3 5,-1.6 0.744 60.1 68.7 -61.2 -23.8 -30.0 -22.6 10.6 17 19 B E G 3 5S+ 0 0 50 -5,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.761 104.3 44.7 -65.0 -23.2 -33.1 -23.5 8.6 18 20 B N G < 5S+ 0 0 108 -3,-2.4 -1,-0.3 1,-0.2 80,-0.3 0.203 109.8 60.0 -97.5 13.1 -32.8 -27.0 10.1 19 21 B R T < 5S- 0 0 69 -3,-1.8 76,-2.1 78,-0.1 -1,-0.2 -0.149 119.8 -97.2-132.4 39.1 -32.2 -25.4 13.5 20 22 B F T 5 - 0 0 38 -3,-0.4 75,-0.3 74,-0.2 70,-0.2 0.888 46.8-173.1 47.2 49.8 -35.4 -23.4 14.2 21 23 B S > < + 0 0 2 -5,-1.6 3,-2.4 73,-0.2 -4,-0.1 0.841 26.7 152.1 -39.6 -44.9 -33.7 -20.2 12.9 22 24 B G T 3 S- 0 0 0 1,-0.3 65,-0.3 -6,-0.1 67,-0.2 -0.184 70.9 -9.6 54.2-127.0 -36.8 -18.3 14.1 23 25 B W T 3 S+ 0 0 3 -3,-0.2 2,-0.4 63,-0.1 -1,-0.3 0.375 102.0 114.5 -89.1 3.9 -36.1 -14.7 15.1 24 26 B Y S < S- 0 0 54 -3,-2.4 2,-2.3 -4,-0.2 71,-0.1 -0.642 75.4-124.0 -72.9 132.6 -32.3 -15.1 14.9 25 27 B D + 0 0 23 -2,-0.4 -1,-0.1 34,-0.1 2,-0.1 -0.355 41.9 173.4 -82.2 62.9 -31.2 -12.9 12.1 26 28 B A - 0 0 1 -2,-2.3 34,-0.5 -5,-0.1 2,-0.1 -0.421 25.2-133.0 -69.1 142.0 -29.3 -15.5 10.0 27 29 B D - 0 0 46 1,-0.1 -14,-2.5 32,-0.1 33,-0.1 -0.467 32.0 -89.1 -82.2 166.1 -28.1 -14.3 6.6 28 30 B L B -G 12 0B 13 -16,-0.3 -16,-0.3 31,-0.2 -1,-0.1 -0.462 40.1-123.2 -63.3 145.2 -28.6 -16.3 3.5 29 31 B S > - 0 0 12 -18,-2.5 4,-2.8 -2,-0.1 5,-0.2 -0.514 34.4-100.2 -77.0 163.0 -25.8 -18.8 2.7 30 32 B P H > S+ 0 0 110 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.895 129.1 52.9 -55.2 -34.3 -24.2 -18.3 -0.7 31 33 B A H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.919 108.3 49.0 -64.1 -42.3 -26.5 -21.2 -1.9 32 34 B G H > S+ 0 0 0 -21,-0.3 4,-1.8 2,-0.2 -22,-0.3 0.891 111.0 51.1 -62.0 -38.3 -29.5 -19.4 -0.5 33 35 B H H X S+ 0 0 58 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.939 109.6 49.5 -63.8 -45.8 -28.3 -16.3 -2.3 34 36 B E H X S+ 0 0 86 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.918 107.1 55.8 -59.4 -43.7 -28.0 -18.2 -5.6 35 37 B E H X S+ 0 0 42 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.882 107.6 48.2 -55.3 -42.7 -31.5 -19.6 -5.2 36 38 B A H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.846 108.4 55.1 -67.1 -32.8 -33.0 -16.1 -4.9 37 39 B K H X S+ 0 0 87 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.921 109.2 46.5 -71.2 -39.5 -31.1 -15.1 -8.0 38 40 B R H X S+ 0 0 110 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 110.8 52.9 -65.7 -42.8 -32.5 -17.9 -10.0 39 41 B G H X S+ 0 0 4 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.923 111.2 47.2 -55.1 -45.2 -36.0 -17.1 -8.6 40 42 B G H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.864 109.1 53.6 -65.9 -36.8 -35.5 -13.5 -9.8 41 43 B Q H X S+ 0 0 72 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.885 106.2 53.2 -65.1 -37.0 -34.2 -14.7 -13.2 42 44 B A H X S+ 0 0 17 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.883 109.7 48.1 -63.1 -39.4 -37.4 -16.7 -13.6 43 45 B L H <>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 4,-0.2 0.876 112.0 50.3 -69.1 -35.3 -39.5 -13.6 -12.9 44 46 B R H ><5S+ 0 0 117 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.948 109.9 48.9 -65.0 -50.1 -37.4 -11.6 -15.4 45 47 B D H 3<5S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.764 110.8 51.6 -60.7 -27.8 -37.8 -14.2 -18.1 46 48 B A T 3<5S- 0 0 55 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.430 112.4-121.3 -92.4 0.7 -41.5 -14.3 -17.5 47 49 B G T < 5 + 0 0 57 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.668 45.3 175.7 74.1 19.9 -41.8 -10.5 -17.8 48 50 B Y < - 0 0 35 -5,-2.2 2,-0.4 1,-0.0 -1,-0.2 -0.323 10.7-168.7 -64.0 133.7 -43.2 -9.9 -14.3 49 51 B E - 0 0 89 -2,-0.0 2,-0.3 25,-0.0 25,-0.0 -0.951 3.3-169.0-116.2 145.5 -43.7 -6.3 -13.2 50 52 B F - 0 0 4 -2,-0.4 129,-0.2 1,-0.1 3,-0.1 -0.859 19.9-162.3-126.7 164.8 -44.5 -5.2 -9.7 51 53 B D S S+ 0 0 43 127,-2.9 2,-0.3 1,-0.4 128,-0.2 0.552 76.1 10.9-118.4 -19.0 -45.6 -2.0 -8.1 52 54 B I E -c 179 0A 16 126,-1.4 128,-1.9 25,-0.1 -1,-0.4 -0.980 61.2-148.0-162.2 146.9 -44.8 -2.6 -4.4 53 55 B C E -cd 180 79A 0 25,-2.1 27,-3.0 -2,-0.3 2,-0.4 -0.960 3.9-163.8-125.3 142.9 -43.0 -5.1 -2.2 54 56 B F E +cd 181 80A 2 126,-2.4 128,-2.3 -2,-0.4 2,-0.2 -0.965 19.7 158.2-121.9 138.3 -43.5 -6.3 1.3 55 57 B T E -cd 182 81A 0 25,-2.6 27,-2.0 -2,-0.4 30,-0.2 -0.845 36.7-102.9-146.0 179.3 -40.9 -8.2 3.4 56 58 B S - 0 0 0 126,-0.7 27,-0.3 -2,-0.2 -1,-0.1 -0.162 37.5-105.6 -91.4-167.6 -40.0 -9.0 7.0 57 59 B V S S+ 0 0 11 25,-0.3 2,-0.5 24,-0.2 261,-0.1 0.127 87.3 107.7-105.2 21.6 -37.3 -7.3 9.1 58 60 B Q S >> S- 0 0 0 24,-0.2 4,-2.2 1,-0.1 3,-1.2 -0.846 71.4-135.6-101.9 130.6 -35.1 -10.4 8.8 59 61 B K H 3> S+ 0 0 30 -2,-0.5 4,-3.2 1,-0.3 5,-0.3 0.757 100.3 62.0 -60.3 -26.3 -32.0 -10.0 6.6 60 62 B R H 3> S+ 0 0 0 -34,-0.5 4,-1.2 2,-0.2 -1,-0.3 0.876 110.8 39.2 -68.3 -34.7 -32.5 -13.4 4.9 61 63 B A H <> S+ 0 0 0 -3,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.897 117.2 50.6 -76.9 -43.0 -35.9 -12.3 3.5 62 64 B I H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.941 110.9 47.7 -60.5 -47.9 -34.7 -8.8 2.8 63 65 B R H X S+ 0 0 30 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.877 110.1 53.7 -60.7 -38.8 -31.6 -10.0 0.9 64 66 B T H X S+ 0 0 0 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.946 111.3 46.2 -57.6 -48.1 -33.8 -12.4 -1.0 65 67 B L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.949 111.8 49.9 -60.6 -49.7 -36.0 -9.4 -2.0 66 68 B W H X S+ 0 0 13 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.902 110.0 51.6 -55.7 -42.2 -33.0 -7.3 -3.0 67 69 B T H X S+ 0 0 14 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.913 112.0 46.6 -64.9 -40.5 -31.6 -10.1 -5.1 68 70 B V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.936 111.5 49.4 -64.3 -48.5 -34.9 -10.5 -6.9 69 71 B L H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 6,-0.4 0.841 111.7 50.4 -61.8 -35.5 -35.4 -6.7 -7.5 70 72 B D H ><5S+ 0 0 62 -4,-2.0 3,-1.4 -5,-0.3 -1,-0.2 0.945 110.4 48.9 -66.4 -46.8 -31.9 -6.5 -8.9 71 73 B A H 3<5S+ 0 0 24 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.820 116.6 41.8 -66.0 -31.5 -32.5 -9.4 -11.3 72 74 B I T 3<5S- 0 0 12 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.314 110.8-120.3 -97.7 7.8 -35.7 -8.0 -12.6 73 75 B D T < 5S+ 0 0 78 -3,-1.4 -3,-0.2 -4,-0.2 3,-0.1 0.842 79.4 119.1 56.0 40.1 -34.4 -4.4 -12.8 74 76 B Q > < + 0 0 16 -5,-2.9 3,-1.7 -6,-0.2 -4,-0.2 -0.168 17.8 131.2-126.0 40.8 -37.0 -3.1 -10.3 75 77 B M T 3 + 0 0 2 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.654 66.7 67.9 -67.3 -15.6 -34.7 -1.8 -7.5 76 78 B W T 3 S+ 0 0 27 -7,-0.2 -1,-0.3 -3,-0.1 247,-0.1 0.523 74.9 116.1 -83.5 -7.5 -36.7 1.4 -7.6 77 79 B L S < S- 0 0 0 -3,-1.7 -25,-0.1 1,-0.1 2,-0.1 -0.251 76.8-101.3 -62.8 147.3 -39.9 -0.1 -6.2 78 80 B P - 0 0 61 0, 0.0 -25,-2.1 0, 0.0 2,-0.4 -0.501 40.7-160.6 -63.7 140.0 -41.3 0.9 -2.9 79 81 B V E -d 53 0A 9 242,-0.5 2,-0.5 -27,-0.2 242,-0.5 -0.994 8.1-163.3-127.7 129.7 -40.4 -1.7 -0.2 80 82 B V E -d 54 0A 48 -27,-3.0 -25,-2.6 -2,-0.4 2,-0.4 -0.970 6.3-160.2-116.8 123.5 -42.2 -2.1 3.1 81 83 B R E +d 55 0A 28 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.821 14.3 174.3 -99.7 136.7 -40.6 -4.1 6.0 82 84 B T > - 0 0 12 -27,-2.0 3,-1.8 -2,-0.4 -25,-0.3 -0.979 38.5-143.7-147.4 136.5 -42.6 -5.5 8.9 83 85 B W G > S+ 0 0 36 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.736 99.1 75.6 -60.0 -22.9 -41.9 -7.7 11.8 84 86 B R G 3 S+ 0 0 55 1,-0.3 -1,-0.3 77,-0.1 -28,-0.1 0.693 93.0 51.3 -67.8 -15.9 -45.4 -9.1 11.2 85 87 B L G < S+ 0 0 2 -3,-1.8 99,-0.5 -30,-0.2 -1,-0.3 0.333 87.5 126.0 -98.4 5.8 -44.0 -11.1 8.3 86 88 B N S < S- 0 0 0 -3,-1.8 3,-0.1 -4,-0.1 98,-0.1 -0.181 71.0 -92.8 -56.1 151.7 -41.2 -12.6 10.4 87 89 B E - 0 0 7 -65,-0.3 -1,-0.1 1,-0.2 2,-0.1 -0.129 61.4 -74.6 -49.1 158.4 -40.6 -16.3 10.7 88 90 B R - 0 0 22 1,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.412 48.2-118.5 -58.7 136.3 -42.3 -18.0 13.5 89 91 B H - 0 0 1 -67,-0.2 63,-1.6 64,-0.2 -1,-0.1 -0.756 26.3-165.3 -80.3 113.1 -40.6 -17.2 16.8 90 92 B Y > - 0 0 34 -2,-0.8 3,-1.7 -70,-0.2 4,-0.2 0.303 16.4-156.9 -89.1 8.5 -39.4 -20.7 18.1 91 93 B G G > - 0 0 0 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 -0.167 68.9 -1.8 57.8-140.5 -38.6 -19.7 21.7 92 94 B G G 3 S+ 0 0 8 30,-3.0 -1,-0.3 1,-0.3 32,-0.1 0.673 129.4 64.8 -57.6 -19.5 -36.2 -21.8 23.6 93 95 B L G X S+ 0 0 6 -3,-1.7 3,-2.2 29,-0.5 -1,-0.3 0.638 72.0 124.6 -77.8 -16.7 -35.8 -24.1 20.6 94 96 B T T < S+ 0 0 1 -3,-2.2 -74,-0.2 1,-0.3 -73,-0.2 -0.212 80.3 8.0 -53.3 120.5 -34.2 -21.4 18.5 95 97 B G T 3 S+ 0 0 6 -76,-2.1 2,-0.3 -75,-0.3 -1,-0.3 0.233 97.7 122.6 96.5 -14.0 -30.9 -22.5 17.1 96 98 B L < - 0 0 32 -3,-2.2 -1,-0.3 -76,-0.2 2,-0.0 -0.657 53.6-136.9 -86.4 137.0 -31.1 -26.2 18.2 97 99 B N > - 0 0 61 -2,-0.3 4,-2.0 -78,-0.1 5,-0.2 -0.149 36.4 -92.6 -76.0-179.5 -30.8 -29.1 15.8 98 100 B K H > S+ 0 0 91 -80,-0.3 4,-2.5 1,-0.2 5,-0.3 0.937 124.4 49.2 -66.2 -49.1 -33.0 -32.2 16.0 99 101 B A H > S+ 0 0 74 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.920 112.8 50.1 -54.5 -44.7 -30.8 -34.3 18.2 100 102 B E H > S+ 0 0 94 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.848 110.1 47.9 -67.9 -36.4 -30.4 -31.3 20.6 101 103 B T H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 5,-0.4 0.922 115.1 45.6 -71.9 -40.7 -34.1 -30.5 20.9 102 104 B A H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.950 113.1 50.3 -62.9 -48.1 -34.9 -34.2 21.6 103 105 B A H < S+ 0 0 90 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.777 118.3 40.9 -59.4 -27.6 -32.1 -34.5 24.1 104 106 B K H < S+ 0 0 131 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.873 131.8 16.6 -88.3 -43.2 -33.3 -31.4 25.8 105 107 B H H X S- 0 0 56 -4,-2.9 4,-0.6 -5,-0.1 -3,-0.2 0.493 104.5-113.1-116.9 -6.9 -37.1 -31.7 25.9 106 108 B G H X - 0 0 31 -4,-2.4 4,-2.1 -5,-0.4 3,-0.2 0.276 27.7 -89.0 82.9 148.5 -37.7 -35.4 25.2 107 109 B E H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.800 121.3 62.8 -56.7 -35.2 -39.3 -37.1 22.1 108 110 B A H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.956 109.8 35.7 -59.7 -53.2 -42.7 -36.8 23.8 109 111 B Q H X S+ 0 0 80 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.921 114.9 55.6 -71.6 -44.4 -42.9 -33.0 23.9 110 112 B V H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.922 108.4 49.4 -50.7 -47.7 -41.0 -32.5 20.6 111 113 B K H X S+ 0 0 116 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.922 109.8 52.0 -61.6 -42.8 -43.6 -34.7 18.8 112 114 B I H X S+ 0 0 72 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.916 111.7 45.3 -58.1 -45.2 -46.4 -32.7 20.4 113 115 B W H < S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 107.8 59.5 -68.1 -37.3 -45.0 -29.4 19.3 114 116 B R H < S+ 0 0 150 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.883 116.2 31.0 -57.8 -41.6 -44.3 -30.7 15.8 115 117 B R H < S+ 0 0 188 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.600 98.2 103.1 -97.6 -13.9 -48.0 -31.5 15.1 116 118 B S < - 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