==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-NOV-11 3UNK . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.-Y.ZHU,M.P.MARTIN,R.ALAM,E.SCHONBRUNN . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0.3 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 0 1 0 0 2 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 1 2 1 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 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 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 M > 0 0 77 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 156.9 -26.2 20.4 11.6 2 2 A E T 3 + 0 0 168 1,-0.3 22,-0.1 3,-0.1 0, 0.0 0.773 360.0 68.6 -53.1 -30.5 -26.4 23.9 12.9 3 3 A N T 3 S+ 0 0 73 20,-0.1 21,-2.1 21,-0.1 22,-0.4 0.622 95.5 58.7 -71.5 -15.5 -24.2 23.0 15.9 4 4 A F B < -A 23 0A 30 -3,-1.7 19,-0.2 19,-0.2 17,-0.0 -0.811 61.1-147.4-122.6 154.9 -21.0 22.4 14.0 5 5 A Q - 0 0 104 17,-2.1 18,-0.1 -2,-0.3 -1,-0.1 0.229 45.1-146.2 -94.4 4.1 -18.5 24.2 11.7 6 6 A K - 0 0 94 16,-0.5 15,-0.3 -5,-0.1 14,-0.1 0.724 12.4-160.8 37.4 67.9 -18.1 20.7 10.2 7 7 A V - 0 0 47 1,-0.1 2,-0.3 12,-0.1 14,-0.2 0.820 50.5 -43.9 -48.2 -52.0 -14.5 20.9 9.3 8 8 A E E -B 20 0B 125 12,-1.9 12,-1.8 0, 0.0 2,-0.6 -0.977 59.3 -75.5-167.0 176.5 -14.3 18.0 6.7 9 9 A K E -B 19 0B 130 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.832 35.0-175.7 -92.6 118.7 -15.2 14.5 5.6 10 10 A I E - 0 0 77 8,-2.2 2,-0.3 -2,-0.6 9,-0.2 0.747 53.7 -59.4 -82.3 -31.2 -13.1 11.9 7.4 11 11 A G E -B 18 0B 27 7,-1.5 7,-3.2 2,-0.0 2,-0.4 -0.971 44.7 -91.1 162.7 176.5 -14.2 8.8 5.7 12 12 A E E -B 17 0B 74 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.956 36.5-172.1-131.1 113.0 -16.9 6.3 4.7 13 13 A G E > -B 16 0B 18 3,-2.6 3,-0.5 -2,-0.4 143,-0.1 -0.439 41.0-100.1-101.7 173.0 -17.9 3.3 6.8 14 14 A T T 3 S+ 0 0 11 1,-0.2 3,-0.1 -2,-0.1 146,-0.1 0.882 125.7 36.4 -56.6 -38.7 -20.2 0.3 6.4 15 15 A Y T 3 S- 0 0 13 1,-0.3 21,-0.8 20,-0.1 2,-0.2 0.490 129.8 -51.7 -98.2 -3.1 -22.8 2.1 8.5 16 16 A G E < -BC 13 35B 0 -3,-0.5 -3,-2.6 19,-0.2 -1,-0.3 -0.853 64.8 -55.1 154.9 175.1 -22.2 5.6 7.3 17 17 A V E -BC 12 34B 1 17,-0.7 17,-2.3 -5,-0.2 2,-0.4 -0.451 40.9-143.2 -80.3 148.9 -20.0 8.6 6.6 18 18 A V E -BC 11 33B 26 -7,-3.2 -8,-2.2 15,-0.2 -7,-1.5 -0.944 14.8-170.3-114.0 134.3 -17.7 10.2 9.2 19 19 A Y E -BC 9 32B 28 13,-3.6 13,-4.1 -2,-0.4 2,-0.4 -0.937 23.1-132.7-117.4 145.2 -17.0 13.9 9.5 20 20 A K E +BC 8 31B 58 -12,-1.8 -12,-1.9 -2,-0.4 2,-0.3 -0.808 42.5 175.8 -83.2 135.1 -14.5 15.8 11.6 21 21 A A E - C 0 30B 0 9,-2.5 9,-3.0 -2,-0.4 2,-0.4 -0.996 28.6-142.3-149.0 148.4 -16.5 18.7 13.2 22 22 A R E - C 0 29B 88 -2,-0.3 -17,-2.1 7,-0.2 2,-0.6 -0.920 23.2-126.5-112.7 136.8 -16.1 21.5 15.6 23 23 A N B > -A 4 0A 39 5,-2.0 4,-3.1 -2,-0.4 -19,-0.2 -0.733 16.9-147.8 -80.9 119.7 -18.7 22.5 18.1 24 24 A K T 4 S+ 0 0 129 -21,-2.1 -1,-0.2 -2,-0.6 -20,-0.1 0.901 93.8 36.5 -56.4 -47.6 -19.4 26.3 17.6 25 25 A L T 4 S+ 0 0 176 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.969 129.8 29.4 -70.7 -53.7 -20.2 27.0 21.2 26 26 A T T 4 S- 0 0 87 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.735 89.0-141.4 -81.6 -24.9 -17.8 24.7 23.0 27 27 A G < + 0 0 41 -4,-3.1 2,-0.2 1,-0.3 -3,-0.1 0.377 49.0 145.9 77.6 -5.2 -15.0 24.6 20.4 28 28 A E - 0 0 93 -6,-0.1 -5,-2.0 -5,-0.1 2,-0.5 -0.451 47.0-133.5 -69.0 131.5 -14.4 20.9 21.0 29 29 A V E +C 22 0B 55 -7,-0.2 51,-0.6 -2,-0.2 2,-0.3 -0.759 35.5 169.9 -83.5 127.8 -13.3 18.9 17.9 30 30 A V E -CD 21 79B 3 -9,-3.0 -9,-2.5 -2,-0.5 2,-0.6 -0.847 37.2-112.1-131.8 165.1 -15.2 15.6 17.5 31 31 A A E -CD 20 78B 11 47,-2.9 47,-3.1 -2,-0.3 2,-0.6 -0.921 32.1-159.2-100.4 124.7 -15.8 12.8 15.0 32 32 A L E -CD 19 77B 4 -13,-4.1 -13,-3.6 -2,-0.6 2,-0.6 -0.887 7.1-169.5-109.7 120.2 -19.3 12.8 13.6 33 33 A K E -CD 18 76B 1 43,-2.9 43,-2.7 -2,-0.6 2,-0.7 -0.932 7.9-155.8-110.2 120.9 -20.8 9.7 12.1 34 34 A K E -CD 17 75B 34 -17,-2.3 -17,-0.7 -2,-0.6 2,-0.4 -0.845 7.5-149.8 -95.5 114.0 -24.1 9.9 10.2 35 35 A I E CD 16 74B 6 39,-3.5 39,-1.4 -2,-0.7 -19,-0.2 -0.686 360.0 360.0 -79.0 130.5 -26.1 6.7 10.0 36 36 A R 0 0 49 -21,-0.8 -1,-0.2 -2,-0.4 -20,-0.1 0.381 360.0 360.0 44.3 360.0 -28.2 6.5 6.8 37 ! 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 38 40 A E 0 0 96 0, 0.0 2,-2.7 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -14.8 -34.4 1.4 4.6 39 41 A T + 0 0 66 1,-0.2 3,-0.1 -3,-0.1 34,-0.0 -0.244 360.0 142.2 -76.4 82.1 -34.6 4.9 5.8 40 42 A E S S- 0 0 164 -2,-2.7 -1,-0.2 1,-0.6 2,-0.1 0.232 82.9 -67.8 -90.9 2.6 -38.1 4.5 7.2 41 43 A G S S- 0 0 24 31,-0.2 -1,-0.6 -3,-0.0 31,-0.1 -0.092 80.1 -66.9 93.4 151.6 -37.4 6.6 10.2 42 44 A V - 0 0 17 29,-0.4 2,-0.1 -2,-0.1 31,-0.1 -0.534 48.1-105.1 -91.0 137.2 -35.0 5.1 12.6 43 45 A P > - 0 0 39 0, 0.0 4,-0.9 0, 0.0 3,-0.2 -0.279 16.6-151.4 -55.8 128.7 -35.5 2.0 14.8 44 46 A S H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.778 93.4 62.4 -62.6 -37.8 -36.1 2.6 18.4 45 47 A T H > S+ 0 0 106 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.888 104.5 45.9 -66.8 -38.1 -34.6 -0.7 19.4 46 48 A A H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.764 105.6 63.7 -73.3 -25.8 -31.2 0.2 18.0 47 49 A I H X S+ 0 0 38 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.952 106.5 40.3 -67.2 -48.5 -31.4 3.7 19.7 48 50 A R H X S+ 0 0 174 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.911 116.3 51.5 -64.6 -41.5 -31.4 2.3 23.2 49 51 A E H X S+ 0 0 46 -4,-1.4 4,-0.8 -5,-0.2 -2,-0.2 0.946 115.2 40.5 -65.0 -46.2 -28.8 -0.3 22.4 50 52 A I H >X S+ 0 0 3 -4,-2.7 3,-1.1 1,-0.2 4,-0.6 0.916 110.7 58.1 -65.5 -41.8 -26.4 2.2 20.8 51 53 A S H >< S+ 0 0 32 -4,-2.6 3,-1.3 -5,-0.3 4,-0.2 0.858 99.2 61.8 -56.5 -33.7 -27.2 4.7 23.6 52 54 A L H >< S+ 0 0 80 -4,-1.9 3,-2.3 1,-0.3 -1,-0.3 0.845 90.1 67.0 -58.6 -38.2 -26.0 2.0 26.0 53 55 A L H X< S+ 0 0 25 -3,-1.1 3,-2.6 -4,-0.8 11,-0.3 0.742 80.6 78.4 -58.7 -23.9 -22.5 2.1 24.4 54 56 A K T << S+ 0 0 73 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.768 85.5 63.6 -56.0 -24.9 -22.1 5.6 25.8 55 57 A E T < S+ 0 0 152 -3,-2.3 2,-0.5 -4,-0.2 -1,-0.3 0.500 77.5 107.4 -78.7 -4.9 -21.4 3.9 29.1 56 58 A L < + 0 0 19 -3,-2.6 2,-0.5 -4,-0.1 8,-0.4 -0.634 42.3 173.3 -76.1 121.2 -18.2 2.2 27.7 57 59 A N + 0 0 132 -2,-0.5 5,-0.1 6,-0.1 -2,-0.0 -0.959 15.8 137.7-128.1 113.6 -15.0 3.7 29.1 58 60 A H > - 0 0 34 -2,-0.5 3,-1.8 3,-0.4 54,-0.0 -0.967 57.3-124.2-150.2 144.8 -11.8 2.1 28.2 59 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.732 113.4 47.9 -57.1 -25.7 -8.4 3.5 27.2 60 62 A N T 3 S+ 0 0 7 80,-0.1 81,-2.8 48,-0.1 2,-0.4 0.209 98.0 77.5-101.5 7.4 -8.5 1.3 24.0 61 63 A I B < S-f 141 0C 11 -3,-1.8 -3,-0.4 79,-0.3 2,-0.2 -0.990 84.9-117.5-118.5 129.3 -12.1 2.2 22.8 62 64 A V - 0 0 8 79,-2.6 2,-0.2 -2,-0.4 81,-0.2 -0.493 42.5-110.8 -62.6 128.0 -12.9 5.5 21.1 63 65 A K - 0 0 67 -2,-0.2 16,-2.1 -4,-0.1 2,-0.8 -0.415 18.8-143.2 -69.2 127.8 -15.4 7.2 23.4 64 66 A L E -E 78 0B 11 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.850 21.6-180.0 -90.3 113.0 -18.9 7.5 22.2 65 67 A L E - 0 0 50 12,-3.0 2,-0.3 -2,-0.8 13,-0.2 0.861 57.1 -4.2 -84.4 -40.4 -20.0 11.0 23.4 66 68 A D E -E 77 0B 80 11,-1.5 11,-2.5 2,-0.0 2,-0.4 -0.994 45.8-148.5-152.3 156.1 -23.6 11.2 22.2 67 69 A V E -E 76 0B 21 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.943 24.1-171.3-128.1 111.5 -26.2 9.5 20.1 68 70 A I E -E 75 0B 53 7,-2.6 7,-2.9 -2,-0.4 2,-0.7 -0.890 9.5-166.7-112.4 115.5 -28.6 12.0 18.4 69 71 A H E +E 74 0B 84 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.884 26.2 149.8 -95.5 116.9 -31.7 10.9 16.6 70 72 A T E > -E 73 0B 52 3,-2.0 3,-1.3 -2,-0.7 -2,-0.1 -0.975 60.2 -23.5-149.5 143.2 -33.1 13.7 14.4 71 73 A E T 3 S- 0 0 146 -2,-0.3 -29,-0.4 1,-0.2 0, 0.0 -0.368 119.3 -41.7 52.4-136.9 -35.1 13.5 11.2 72 74 A N T 3 S+ 0 0 64 -31,-0.1 -1,-0.2 -3,-0.1 2,-0.2 0.469 121.8 92.1 -94.0 -3.7 -34.3 10.2 9.5 73 75 A K E < - E 0 70B 67 -3,-1.3 -3,-2.0 -37,-0.1 2,-0.5 -0.601 60.4-155.0 -94.3 147.4 -30.6 10.5 10.3 74 76 A L E -DE 35 69B 4 -39,-1.4 -39,-3.5 -2,-0.2 2,-0.5 -0.991 12.5-158.1-120.8 125.1 -28.9 9.1 13.4 75 77 A Y E -DE 34 68B 28 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.5 -0.864 7.3-162.2-106.8 130.6 -25.6 10.8 14.5 76 78 A L E -DE 33 67B 3 -43,-2.7 -43,-2.9 -2,-0.5 2,-0.6 -0.953 11.1-155.1-104.4 125.4 -22.9 9.2 16.6 77 79 A V E -DE 32 66B 9 -11,-2.5 -12,-3.0 -2,-0.5 -11,-1.5 -0.913 19.0-179.0-102.3 120.3 -20.6 11.8 18.2 78 80 A F E -DE 31 64B 18 -47,-3.1 -47,-2.9 -2,-0.6 -14,-0.2 -0.814 34.8 -97.9-116.2 153.7 -17.2 10.4 19.0 79 81 A E E -D 30 0B 56 -16,-2.1 2,-0.5 -2,-0.3 -49,-0.2 -0.369 49.6-113.8 -60.9 150.7 -14.0 11.7 20.6 80 82 A F - 0 0 58 -51,-0.6 2,-0.2 -50,-0.1 -1,-0.1 -0.800 32.0-168.7 -98.9 130.3 -11.6 12.7 17.9 81 83 A L - 0 0 16 -2,-0.5 53,-0.2 53,-0.1 3,-0.1 -0.632 28.8-110.5-113.5 175.4 -8.3 10.9 17.4 82 84 A H S S- 0 0 78 51,-0.9 2,-0.3 -2,-0.2 52,-0.2 0.831 80.9 -14.1 -83.4 -37.5 -5.4 11.8 15.3 83 85 A Q E -G 133 0C 19 50,-1.5 50,-3.3 211,-0.0 2,-0.2 -0.971 63.2-111.4-159.1 152.4 -5.2 9.3 12.4 84 86 A D E > -G 132 0C 41 -2,-0.3 4,-2.0 48,-0.2 48,-0.3 -0.614 30.6-117.5 -85.8 156.2 -6.6 5.9 11.4 85 87 A L H > S+ 0 0 0 46,-3.1 4,-2.7 43,-0.9 5,-0.2 0.821 111.6 61.7 -64.3 -29.4 -4.5 2.8 11.2 86 88 A K H > S+ 0 0 50 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.956 107.1 42.5 -62.0 -50.0 -5.1 2.4 7.5 87 89 A K H > S+ 0 0 129 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 113.6 53.0 -63.8 -42.3 -3.5 5.8 6.7 88 90 A F H X S+ 0 0 7 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.914 109.6 48.2 -59.5 -42.2 -0.6 5.1 9.1 89 91 A M H < S+ 0 0 17 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.906 110.7 51.7 -64.4 -42.9 0.1 1.8 7.4 90 92 A D H >< S+ 0 0 98 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.930 111.6 46.8 -55.2 -45.8 0.0 3.4 4.0 91 93 A A H 3< S+ 0 0 74 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.730 113.2 49.3 -70.6 -23.2 2.5 6.0 5.3 92 94 A S T 3X S+ 0 0 13 -4,-1.4 4,-3.4 -5,-0.2 -1,-0.3 0.248 79.7 108.8 -94.8 8.9 4.7 3.3 6.8 93 95 A A T <4 S+ 0 0 47 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.800 76.6 45.4 -65.1 -31.1 4.8 1.2 3.6 94 96 A L T 4 S+ 0 0 174 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.854 129.6 23.6 -78.1 -34.9 8.4 1.8 2.5 95 97 A T T 4 S- 0 0 108 -4,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.815 102.0-130.2 -95.3 -50.3 9.9 1.3 6.0 96 98 A G < - 0 0 8 -4,-3.4 -3,-0.1 -7,-0.1 99,-0.1 0.008 31.5 -76.3 102.7 146.8 7.4 -0.8 7.9 97 99 A I - 0 0 11 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.684 61.3-105.2 -69.8 126.9 5.9 -0.2 11.3 98 100 A P >> - 0 0 82 0, 0.0 4,-2.2 0, 0.0 3,-1.3 -0.316 27.6-118.2 -56.1 139.8 8.7 -1.2 13.8 99 101 A L H 3> S+ 0 0 65 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.832 111.9 56.4 -49.6 -44.7 7.9 -4.5 15.5 100 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.859 110.5 46.1 -58.9 -32.5 7.8 -3.1 19.0 101 103 A L H <> S+ 0 0 6 -3,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.878 111.3 51.1 -77.8 -38.7 5.1 -0.6 17.8 102 104 A I H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.935 112.9 46.7 -58.3 -45.2 3.2 -3.4 16.0 103 105 A K H X S+ 0 0 12 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.870 110.9 51.8 -64.5 -41.4 3.3 -5.5 19.2 104 106 A S H X S+ 0 0 4 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.925 111.1 47.2 -61.5 -46.6 2.2 -2.5 21.3 105 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.934 112.5 49.1 -61.3 -45.7 -0.8 -1.9 19.0 106 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.942 111.5 50.2 -59.4 -45.3 -1.8 -5.6 19.0 107 109 A F H X S+ 0 0 48 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.944 113.1 45.5 -58.2 -50.3 -1.6 -5.7 22.8 108 110 A Q H X S+ 0 0 13 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.876 112.0 51.3 -61.0 -42.2 -3.7 -2.6 23.3 109 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.901 108.4 51.5 -65.6 -41.9 -6.3 -3.8 20.7 110 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.882 109.1 51.8 -59.1 -40.6 -6.6 -7.1 22.5 111 113 A Q H X S+ 0 0 69 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.916 110.1 48.5 -63.0 -42.6 -7.2 -5.2 25.7 112 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.875 114.4 45.9 -63.9 -39.0 -9.9 -3.2 24.1 113 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.901 109.6 53.1 -69.7 -42.3 -11.5 -6.4 22.7 114 116 A A H X S+ 0 0 23 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.892 110.5 49.2 -63.7 -37.5 -11.3 -8.2 25.9 115 117 A F H X S+ 0 0 38 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.965 114.9 43.0 -60.4 -54.7 -13.0 -5.3 27.6 116 118 A C H ><>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 3,-0.7 0.937 114.9 49.8 -58.1 -48.7 -15.8 -5.2 25.0 117 119 A H H ><5S+ 0 0 29 -4,-3.4 3,-1.5 1,-0.3 -1,-0.2 0.849 106.2 55.1 -61.5 -35.9 -16.2 -8.9 24.9 118 120 A S H 3<5S+ 0 0 81 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.778 109.9 48.8 -69.5 -23.2 -16.4 -9.1 28.8 119 121 A H T <<5S- 0 0 83 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.259 120.6-113.2 -94.0 8.0 -19.3 -6.6 28.4 120 122 A R T < 5S+ 0 0 195 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.852 72.6 136.8 64.3 32.7 -20.9 -8.8 25.7 121 123 A V < - 0 0 19 -5,-2.7 2,-0.3 -8,-0.2 -1,-0.2 -0.959 34.9-164.6-108.3 131.5 -20.3 -6.2 23.0 122 124 A L - 0 0 21 -2,-0.5 23,-2.3 1,-0.2 26,-0.2 -0.834 17.3-157.1-110.3 151.6 -19.0 -7.4 19.7 123 125 A H + 0 0 3 -2,-0.3 24,-0.6 21,-0.2 23,-0.2 0.921 16.7 175.0 -82.4 -66.0 -17.5 -5.4 16.9 124 126 A R S S+ 0 0 52 56,-0.1 44,-0.1 55,-0.1 20,-0.1 0.321 71.8 61.4 72.2 -7.1 -18.1 -7.7 13.8 125 127 A D + 0 0 15 18,-0.1 5,-0.1 2,-0.1 -111,-0.1 0.081 68.9 158.4-123.1 17.4 -16.7 -5.1 11.4 126 128 A L + 0 0 1 40,-0.1 40,-0.1 3,-0.1 3,-0.1 -0.187 10.9 140.0 -50.0 140.6 -13.1 -4.6 12.5 127 129 A K > - 0 0 16 1,-0.1 3,-1.5 38,-0.0 4,-0.2 -0.964 65.1 -92.0-172.7 162.9 -10.7 -3.2 10.0 128 130 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -43,-0.9 0.855 119.2 63.0 -55.0 -34.3 -7.7 -0.8 9.8 129 131 A Q G 3 S+ 0 0 71 1,-0.3 -42,-0.1 -44,-0.2 -3,-0.1 0.790 104.2 47.7 -64.1 -28.7 -10.1 2.1 8.9 130 132 A N G < S+ 0 0 10 -3,-1.5 12,-2.6 -5,-0.1 2,-0.5 0.219 90.9 90.5 -98.8 12.1 -11.8 1.8 12.3 131 133 A L E < - H 0 141C 0 -3,-1.7 -46,-3.1 10,-0.2 2,-0.4 -0.969 63.7-161.9-101.2 128.0 -8.7 1.6 14.4 132 134 A L E -GH 84 140C 33 8,-2.7 8,-2.3 -2,-0.5 2,-0.3 -0.895 4.9-164.8-118.4 136.4 -7.6 5.1 15.5 133 135 A I E -GH 83 139C 0 -50,-3.3 -50,-1.5 -2,-0.4 -51,-0.9 -0.835 3.0-154.8-119.3 157.4 -4.2 6.2 16.8 134 136 A N > - 0 0 14 4,-1.6 3,-1.5 -2,-0.3 -53,-0.1 -0.800 35.5-100.7-124.8 174.0 -2.8 9.2 18.6 135 137 A T T 3 S+ 0 0 73 -2,-0.3 159,-0.1 1,-0.3 -1,-0.0 0.707 114.7 61.2 -65.7 -22.4 0.6 10.9 18.9 136 138 A E T 3 S- 0 0 129 155,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.396 120.3 -96.0 -91.3 6.3 1.3 9.3 22.3 137 139 A G S < S+ 0 0 0 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.428 78.4 132.8 99.6 -0.7 1.2 5.6 21.2 138 140 A A - 0 0 11 151,-0.1 -4,-1.6 -30,-0.0 2,-0.3 -0.518 35.9-162.3 -79.1 150.8 -2.4 4.6 22.1 139 141 A I E - H 0 133C 0 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.985 8.8-167.9-128.9 147.8 -4.6 2.8 19.7 140 142 A K E - H 0 132C 28 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.4 -0.989 20.2-127.5-139.3 142.3 -8.4 2.6 19.9 141 143 A L E -fH 61 131C 1 -81,-2.8 -79,-2.6 -2,-0.4 2,-0.3 -0.732 28.1-164.7 -86.6 133.7 -11.3 0.6 18.4 142 144 A A + 0 0 14 -12,-2.6 -79,-0.1 -2,-0.4 -12,-0.0 -0.887 56.9 28.4-114.5 154.5 -14.2 2.7 17.0 143 145 A D > + 0 0 28 -2,-0.3 3,-0.7 -81,-0.2 -1,-0.1 0.787 68.5 168.2 72.0 37.1 -17.7 1.7 15.9 144 146 A F T 3 + 0 0 11 1,-0.2 -21,-0.2 -3,-0.2 -1,-0.1 -0.277 58.5 22.5 -66.6 159.4 -18.6 -1.3 18.2 145 147 A G T 3> S+ 0 0 6 -23,-2.3 4,-1.5 1,-0.1 5,-0.2 0.473 84.6 115.5 68.1 3.7 -22.1 -2.8 18.5 146 148 A L H <> S+ 0 0 11 -3,-0.7 4,-2.7 -23,-0.2 5,-0.4 0.926 74.5 46.1 -71.5 -44.8 -23.4 -1.4 15.2 147 149 A A H > S+ 0 0 5 -24,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.757 115.1 47.7 -72.8 -24.5 -24.0 -4.7 13.4 148 150 A R H 4 S+ 0 0 136 -26,-0.2 -1,-0.2 -25,-0.2 -2,-0.2 0.865 119.5 37.5 -80.8 -40.1 -25.8 -6.2 16.4 149 151 A A H < S+ 0 0 14 -4,-1.5 -2,-0.2 1,-0.1 -3,-0.2 0.918 129.2 30.6 -75.7 -47.0 -28.0 -3.2 17.1 150 152 A F H < S- 0 0 35 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.620 104.6-124.1 -89.3 -16.2 -28.7 -2.3 13.5 151 153 A G < - 0 0 35 -4,-0.6 -3,-0.1 -5,-0.4 -1,-0.1 0.085 39.3 -77.4 74.0 157.8 -28.5 -5.6 11.8 152 154 A V - 0 0 79 -5,-0.1 -1,-0.1 -4,-0.1 -5,-0.1 -0.798 49.4-179.1-101.4 108.7 -26.0 -5.9 9.0 153 155 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.112 38.3-108.2 -78.5-170.8 -27.0 -4.5 5.6 154 156 A V S S+ 0 0 109 3,-0.1 2,-0.1 1,-0.0 8,-0.1 0.934 90.5 9.7 -82.5 -61.0 -24.7 -4.7 2.5 155 157 A R S S- 0 0 97 2,-0.2 -141,-0.1 1,-0.1 6,-0.1 -0.356 81.0 -98.1-111.4-173.0 -23.5 -1.0 2.2 156 158 A T S S- 0 0 9 -2,-0.1 -120,-0.2 -143,-0.1 -1,-0.1 0.993 87.7 -61.9 -71.3 -71.2 -23.7 2.2 4.2 157 159 A Y S S+ 0 0 113 1,-0.1 2,-0.6 -122,-0.1 -2,-0.2 0.276 118.1 28.6-133.0 -62.7 -26.6 3.7 2.3 158 160 A T S S- 0 0 87 1,-0.1 -1,-0.1 -3,-0.0 -2,-0.1 -0.899 116.3 -43.2-115.0 110.2 -25.8 4.1 -1.4 159 161 A H S S+ 0 0 168 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.817 71.9 155.8 55.2 55.4 -23.3 2.1 -3.5 160 162 A E - 0 0 78 -146,-0.1 2,-0.9 -3,-0.0 -1,-0.2 -0.854 44.2-122.8-108.4 148.6 -20.2 1.6 -1.4 161 163 A V - 0 0 125 -2,-0.3 2,-0.1 -6,-0.1 -6,-0.1 -0.786 30.7-148.1 -93.0 107.5 -17.7 -1.2 -1.8 162 164 A V - 0 0 34 -2,-0.9 2,-0.6 1,-0.1 -7,-0.1 -0.365 17.0-114.0 -73.2 145.2 -17.5 -3.0 1.6 163 165 A T + 0 0 39 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.739 32.0 176.3 -85.6 121.8 -14.2 -4.6 2.7 164 166 A L > + 0 0 25 -2,-0.6 3,-2.0 39,-0.4 -1,-0.1 0.516 56.5 97.8 -91.3 -9.6 -14.4 -8.4 2.9 165 167 A W T 3 S+ 0 0 77 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.678 85.8 41.9 -60.9 -28.0 -10.8 -8.8 3.8 166 168 A Y T 3 S+ 0 0 7 -3,-0.2 2,-0.3 -40,-0.1 -1,-0.3 0.267 83.3 126.9-102.4 4.8 -11.2 -9.1 7.5 167 169 A R < - 0 0 35 -3,-2.0 16,-0.1 1,-0.1 -42,-0.1 -0.516 60.5-122.0 -71.3 129.6 -14.3 -11.3 7.6 168 170 A A >> - 0 0 1 -2,-0.3 4,-1.7 14,-0.1 3,-0.8 -0.313 23.2-118.0 -64.0 148.8 -14.2 -14.5 9.7 169 171 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.847 111.8 60.9 -63.0 -33.3 -14.8 -17.7 7.7 170 172 A E H 34>S+ 0 0 5 1,-0.2 5,-2.5 97,-0.2 98,-0.0 0.827 105.7 49.7 -63.8 -29.8 -18.0 -18.6 9.7 171 173 A I H X45S+ 0 0 31 -3,-0.8 3,-2.1 3,-0.2 -1,-0.2 0.947 109.5 49.7 -69.1 -48.9 -19.5 -15.4 8.5 172 174 A L H 3<5S+ 0 0 7 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.800 107.1 56.0 -59.6 -29.6 -18.6 -16.1 4.9 173 175 A L T 3<5S- 0 0 0 -4,-1.9 60,-2.6 -5,-0.2 61,-0.4 0.309 120.6-110.9 -87.7 5.5 -20.1 -19.6 5.2 174 176 A G T < 5 + 0 0 23 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.727 51.0 172.3 79.8 26.4 -23.4 -17.9 6.3 175 177 A C < - 0 0 18 -5,-2.5 -1,-0.2 1,-0.1 3,-0.1 -0.425 25.8-147.9 -66.3 140.2 -23.6 -18.9 10.0 176 178 A K S S+ 0 0 145 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.829 79.6 60.0 -81.2 -32.5 -26.5 -17.0 11.6 177 179 A Y - 0 0 203 -3,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.880 69.5-163.0-107.2 112.0 -24.9 -16.7 15.1 178 180 A Y - 0 0 64 -2,-0.6 2,-0.2 -3,-0.1 -2,-0.0 -0.596 5.4-161.5 -83.8 152.6 -21.7 -14.8 15.4 179 181 A S > - 0 0 48 -2,-0.2 3,-1.8 -55,-0.0 4,-0.3 -0.759 41.0 -91.2-123.0 179.1 -19.4 -15.0 18.5 180 182 A T T >> S+ 0 0 57 1,-0.3 3,-1.5 -2,-0.2 4,-1.0 0.718 115.1 79.4 -60.2 -21.4 -16.6 -12.8 19.9 181 183 A A H 3> S+ 0 0 7 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.766 77.0 69.4 -61.6 -27.5 -14.3 -15.0 17.8 182 184 A V H <> S+ 0 0 0 -3,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.832 99.2 49.7 -59.2 -31.4 -15.1 -13.1 14.7 183 185 A D H <> S+ 0 0 0 -3,-1.5 4,-2.3 -4,-0.3 -1,-0.2 0.835 107.1 53.6 -76.8 -34.3 -13.3 -10.0 16.1 184 186 A I H X S+ 0 0 3 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.913 108.3 51.5 -62.2 -43.3 -10.2 -12.1 17.0 185 187 A W H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.950 110.8 46.7 -57.8 -50.9 -10.1 -13.3 13.4 186 188 A S H X S+ 0 0 5 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.898 112.0 50.8 -60.5 -42.1 -10.3 -9.7 12.0 187 189 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.899 107.6 54.4 -61.8 -40.1 -7.6 -8.6 14.5 188 190 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 76,-0.2 -2,-0.2 0.946 107.6 49.4 -59.0 -49.5 -5.4 -11.5 13.3 189 191 A C H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 11,-0.4 0.868 112.7 48.0 -53.9 -40.4 -5.8 -10.4 9.7 190 192 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.911 109.2 52.6 -69.4 -43.5 -4.8 -6.8 10.7 191 193 A F H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.942 110.6 48.1 -54.0 -51.8 -1.8 -8.0 12.7 192 194 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 6,-0.3 0.876 110.8 51.8 -58.1 -38.3 -0.6 -10.0 9.7 193 195 A E H X S+ 0 0 13 -4,-1.7 4,-2.2 1,-0.2 5,-0.3 0.885 106.9 51.9 -71.5 -39.0 -1.1 -6.9 7.5 194 196 A M H < S+ 0 0 2 -4,-2.6 -97,-0.5 1,-0.2 -1,-0.2 0.885 114.0 45.9 -59.2 -40.8 1.0 -4.7 9.8 195 197 A V H < S+ 0 0 12 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.940 125.1 26.3 -71.3 -48.9 3.8 -7.2 9.7 196 198 A T H < S- 0 0 47 -4,-2.4 -2,-0.2 2,-0.3 -3,-0.2 0.723 95.3-129.4 -91.3 -17.7 4.0 -7.9 6.0 197 199 A R S < S+ 0 0 117 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.1 0.738 79.7 92.4 65.5 26.6 2.6 -4.6 4.6 198 200 A R S S- 0 0 200 -5,-0.3 -2,-0.3 -6,-0.3 -1,-0.2 -0.987 88.4 -98.9-139.0 147.7 0.1 -6.5 2.5 199 201 A A - 0 0 21 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.343 28.3-140.7 -58.4 140.4 -3.4 -7.6 3.2 200 202 A L S S+ 0 0 29 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.937 91.9 14.0 -71.5 -45.5 -3.4 -11.2 4.3 201 203 A F + 0 0 1 -36,-0.3 2,-2.0 2,-0.1 -1,-0.2 -0.678 69.4 177.8-132.6 75.7 -6.6 -12.2 2.4 202 204 A P - 0 0 33 0, 0.0 2,-0.1 0, 0.0 7,-0.0 -0.443 17.0-175.5 -85.0 72.3 -7.6 -9.5 -0.1 203 205 A G - 0 0 5 -2,-2.0 -39,-0.4 1,-0.1 -38,-0.2 -0.382 24.5-156.1 -69.9 141.1 -10.6 -11.2 -1.6 204 206 A D S S+ 0 0 137 -2,-0.1 2,-0.2 -40,-0.1 -1,-0.1 0.831 80.1 10.2 -79.0 -36.4 -12.4 -9.5 -4.5 205 207 A S S > S- 0 0 52 1,-0.1 4,-2.7 -41,-0.0 5,-0.2 -0.786 89.0 -93.1-133.5 176.9 -15.7 -11.3 -3.8 206 208 A E H > S+ 0 0 110 -2,-0.2 4,-2.3 2,-0.2 5,-0.1 0.934 127.7 42.5 -58.6 -45.4 -17.2 -13.4 -1.0 207 209 A I H > S+ 0 0 83 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.887 113.9 50.4 -71.7 -39.4 -16.1 -16.6 -2.8 208 210 A D H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 111.3 50.9 -59.7 -39.1 -12.7 -15.2 -3.7 209 211 A Q H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.931 112.4 45.8 -64.1 -48.2 -12.3 -14.2 -0.0 210 212 A L H X S+ 0 0 6 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.929 113.9 48.0 -59.0 -45.8 -13.3 -17.6 1.1 211 213 A F H X S+ 0 0 36 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.856 107.6 55.6 -73.7 -29.6 -11.0 -19.3 -1.4 212 214 A R H X S+ 0 0 82 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.903 109.8 46.7 -63.2 -42.6 -8.0 -17.1 -0.5 213 215 A I H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 5,-0.4 0.951 113.7 49.6 -60.9 -48.3 -8.4 -18.2 3.1 214 216 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.895 107.4 52.7 -59.7 -42.6 -8.7 -21.8 1.9 215 217 A R H < S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 118.6 37.6 -66.6 -31.6 -5.6 -21.6 -0.3 216 218 A T H < S+ 0 0 33 -4,-1.4 28,-2.6 -3,-0.3 -2,-0.2 0.924 130.3 25.0 -81.8 -49.8 -3.6 -20.3 2.7 217 219 A L H < S- 0 0 6 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.440 114.8-103.2 -99.4 -1.1 -4.9 -22.2 5.7 218 220 A G < - 0 0 6 -4,-1.9 24,-0.2 24,-0.4 -1,-0.2 0.214 45.7 -68.2 88.1 147.2 -6.2 -25.3 3.8 219 221 A T - 0 0 18 22,-2.4 24,-0.1 -4,-0.1 2,-0.0 -0.524 62.6-120.0 -67.8 126.4 -9.8 -26.1 3.0 220 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.401 37.0 177.1 -68.8 152.2 -11.5 -26.8 6.3 221 223 A D > - 0 0 66 -2,-0.0 4,-2.4 -3,-0.0 7,-0.2 -0.773 48.7 -81.0-137.1-173.8 -13.1 -30.1 7.0 222 224 A E T 4 S+ 0 0 78 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.703 122.0 61.2 -66.4 -22.4 -14.8 -31.9 9.9 223 225 A V T 4 S+ 0 0 120 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.978 117.4 25.4 -66.3 -56.5 -11.5 -32.8 11.5 224 226 A V T 4 S+ 0 0 68 1,-0.2 44,-0.5 -3,-0.1 -2,-0.2 0.755 139.0 27.9 -80.6 -23.0 -10.2 -29.3 12.0 225 227 A W S >< S- 0 0 5 -4,-2.4 3,-2.6 42,-0.1 4,-0.2 -0.605 77.4-151.9-141.4 78.3 -13.7 -27.8 12.2 226 228 A P T 3 S+ 0 0 76 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.222 86.8 21.5 -54.8 129.0 -16.5 -30.0 13.4 227 229 A G T > S+ 0 0 27 41,-0.0 3,-1.1 4,-0.0 4,-0.2 0.303 86.7 118.0 100.1 -8.4 -19.8 -28.9 11.9 228 230 A V G X S+ 0 0 0 -3,-2.6 3,-1.6 1,-0.3 6,-0.1 0.879 70.6 55.0 -62.4 -38.6 -18.2 -27.1 9.0 229 231 A T G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -4,-0.2 -7,-0.0 0.641 104.6 55.9 -73.7 -11.5 -19.7 -29.2 6.2 230 232 A S G < S+ 0 0 98 -3,-1.1 -1,-0.3 5,-0.1 -2,-0.2 0.344 79.1 120.6 -98.6 5.2 -23.2 -28.5 7.6 231 233 A M S X S- 0 0 34 -3,-1.6 3,-1.8 -4,-0.2 -57,-0.1 -0.413 75.4-111.5 -73.8 152.3 -23.0 -24.7 7.4 232 234 A P T 3 S+ 0 0 66 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.816 113.5 33.6 -59.3 -38.4 -25.5 -23.0 5.2 233 235 A D T 3 S+ 0 0 72 -60,-2.6 2,-0.2 2,-0.0 -59,-0.1 0.294 89.8 119.2 -97.5 6.8 -23.2 -21.8 2.4 234 236 A Y < - 0 0 41 -3,-1.8 -5,-0.0 -61,-0.4 3,-0.0 -0.544 43.7-167.9 -69.5 135.9 -20.8 -24.8 2.6 235 237 A K > - 0 0 104 -2,-0.2 3,-2.2 1,-0.1 -5,-0.1 -0.998 26.7-142.0-125.0 136.5 -20.6 -26.8 -0.7 236 238 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.697 102.0 71.1 -63.2 -15.7 -19.0 -30.2 -1.0 237 239 A S T 3 + 0 0 103 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.499 67.1 122.4 -81.2 -4.5 -17.8 -28.9 -4.3 238 240 A F S < S- 0 0 19 -3,-2.2 -19,-0.0 1,-0.1 -4,-0.0 -0.329 74.8-106.2 -53.6 134.7 -15.3 -26.5 -2.7 239 241 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.344 30.6-124.2 -62.3 151.6 -11.8 -27.2 -4.0 240 242 A K - 0 0 188 -3,-0.1 2,-0.4 -22,-0.1 -25,-0.0 -0.860 32.6-178.2-102.9 106.8 -9.7 -29.0 -1.5 241 243 A W - 0 0 74 -2,-0.8 -22,-2.4 -21,-0.0 2,-0.2 -0.826 24.7-125.6-101.7 138.8 -6.4 -27.1 -0.9 242 244 A A - 0 0 82 -2,-0.4 -24,-0.4 -24,-0.2 2,-0.0 -0.563 39.4 -93.7 -78.9 149.4 -3.7 -28.3 1.5 243 245 A R - 0 0 116 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.335 41.3-118.7 -65.0 141.4 -2.6 -25.9 4.2 244 246 A Q - 0 0 73 -28,-2.6 -1,-0.1 1,-0.1 5,-0.1 -0.519 33.6 -93.0 -80.0 148.4 0.4 -23.8 3.4 245 247 A D > - 0 0 117 -2,-0.2 3,-0.9 1,-0.1 4,-0.2 -0.380 40.3-136.8 -49.7 129.4 3.6 -23.9 5.4 246 248 A F G >> S+ 0 0 32 1,-0.2 3,-1.9 2,-0.2 4,-0.8 0.761 94.6 70.5 -75.8 -23.9 2.9 -21.1 7.9 247 249 A S G 34 S+ 0 0 49 1,-0.3 -1,-0.2 2,-0.2 6,-0.1 0.606 93.7 61.3 -68.9 -10.8 6.4 -19.4 7.8 248 250 A K G <4 S+ 0 0 143 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.627 94.8 65.0 -81.6 -20.3 5.4 -18.3 4.4 249 251 A V T <4 S+ 0 0 18 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.1 0.957 122.9 3.6 -75.9 -49.9 2.4 -16.3 5.8 250 252 A V S >< S+ 0 0 0 -4,-0.8 3,-2.9 1,-0.1 -1,-0.2 -0.424 72.9 175.7-132.4 61.1 4.2 -13.6 7.9 251 253 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.757 74.7 57.3 -46.4 -41.5 7.9 -14.2 7.3 252 254 A P T 3 S+ 0 0 95 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 0.794 89.5 96.4 -59.2 -22.6 9.2 -11.2 9.3 253 255 A L S < S- 0 0 4 -3,-2.9 -3,-0.1 1,-0.1 -61,-0.0 -0.439 73.4-130.0 -77.2 138.5 7.4 -12.5 12.4 254 256 A D > - 0 0 64 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.174 37.6 -91.5 -72.0 178.7 9.3 -14.5 15.0 255 257 A E H > S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.826 124.5 55.7 -70.2 -31.1 7.9 -17.8 16.2 256 258 A D H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 27,-0.3 0.950 110.7 46.0 -62.5 -49.0 6.0 -16.3 19.2 257 259 A G H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.924 113.7 48.5 -59.5 -45.0 4.2 -14.0 16.8 258 260 A R H X S+ 0 0 52 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.873 111.5 49.4 -65.7 -36.4 3.4 -16.7 14.3 259 261 A S H X S+ 0 0 37 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.938 113.5 46.2 -69.9 -42.7 2.1 -19.1 17.1 260 262 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.3 0.957 113.2 50.3 -61.4 -46.3 -0.1 -16.3 18.4 261 263 A L H X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.2 3,-0.5 0.885 106.8 54.6 -58.1 -40.5 -1.3 -15.5 14.9 262 264 A S H < S+ 0 0 27 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 107.7 50.1 -66.2 -32.6 -2.1 -19.1 14.2 263 265 A Q H < S+ 0 0 72 -4,-1.7 10,-2.9 -3,-0.3 3,-0.5 0.734 108.7 51.4 -76.4 -21.4 -4.3 -19.3 17.2 264 266 A M H < S+ 0 0 0 -4,-1.3 -76,-0.2 -3,-0.5 -1,-0.2 0.672 111.3 51.1 -82.2 -21.6 -6.2 -16.1 16.2 265 267 A L S < S+ 0 0 1 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.091 74.8 137.7-100.4 11.2 -6.7 -17.7 12.8 266 268 A H - 0 0 63 -3,-0.5 6,-0.1 1,-0.1 -3,-0.1 -0.419 52.6-137.3 -59.4 139.2 -8.2 -21.1 13.8 267 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 1,-0.1 -1,-0.1 0.968 88.1 71.2 -62.5 -52.6 -11.0 -22.1 11.6 268 270 A D S >> S- 0 0 15 -44,-0.5 3,-2.5 1,-0.2 4,-1.4 -0.549 76.5-146.8 -74.2 113.6 -13.3 -23.3 14.4 269 271 A P T 34 S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.761 98.9 60.2 -52.9 -28.4 -14.5 -20.3 16.4 270 272 A N T 34 S+ 0 0 147 1,-0.2 -2,-0.1 -89,-0.0 -3,-0.0 0.709 109.0 39.9 -68.2 -28.9 -14.4 -22.5 19.5 271 273 A K T <4 S+ 0 0 99 -3,-2.5 -1,-0.2 2,-0.1 -5,-0.1 0.568 90.8 109.5 -91.8 -14.7 -10.6 -23.2 19.2 272 274 A R S < S- 0 0 13 -4,-1.4 -8,-0.2 -6,-0.1 -9,-0.1 -0.373 81.2-103.5 -64.7 138.2 -9.9 -19.6 18.1 273 275 A I - 0 0 22 -10,-2.9 2,-0.2 -13,-0.2 -1,-0.1 -0.251 31.1-124.5 -62.9 144.6 -8.0 -17.8 21.0 274 276 A S > - 0 0 61 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.586 20.4-116.5 -81.6 156.4 -9.9 -15.3 23.2 275 277 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -161,-0.1 0.928 117.6 52.8 -56.7 -44.6 -8.6 -11.7 23.6 276 278 A K H 4 S+ 0 0 171 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.920 112.6 41.7 -57.2 -47.4 -8.1 -12.5 27.3 277 279 A A H >4 S+ 0 0 50 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.894 110.6 59.0 -69.7 -35.4 -6.0 -15.6 26.6 278 280 A A H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.877 96.4 60.9 -58.8 -38.9 -4.1 -13.8 23.8 279 281 A L T 3< S+ 0 0 43 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.731 102.5 54.0 -62.4 -20.6 -2.9 -11.1 26.2 280 282 A A T < S+ 0 0 83 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.413 80.7 122.0 -94.8 1.5 -1.1 -13.9 28.2 281 283 A H S X S- 0 0 18 -3,-1.9 3,-2.2 -4,-0.2 4,-0.1 -0.404 73.7-121.7 -64.5 139.9 0.7 -15.1 25.1 282 284 A P G > S+ 0 0 66 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.695 105.3 79.7 -55.7 -22.5 4.6 -15.1 25.4 283 285 A F G 3 S+ 0 0 2 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.825 94.0 49.7 -52.0 -31.4 4.7 -12.8 22.4 284 286 A F G X S+ 0 0 10 -3,-2.2 3,-1.7 -6,-0.2 -1,-0.3 0.336 77.3 103.2 -94.6 5.2 3.8 -10.0 24.8 285 287 A Q T < S+ 0 0 179 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.920 92.4 33.9 -52.4 -46.6 6.4 -10.7 27.4 286 288 A D T 3 S+ 0 0 103 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.104 87.5 149.6 -94.8 15.0 8.6 -7.8 26.2 287 289 A V < + 0 0 39 -3,-1.7 2,-0.2 -184,-0.1 -186,-0.1 -0.249 16.2 169.6 -55.3 137.8 5.7 -5.5 25.2 288 290 A T - 0 0 83 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.763 37.1-110.9-132.9-174.3 6.4 -1.7 25.5 289 291 A K - 0 0 112 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.766 36.2-177.1-125.4 84.4 4.7 1.4 24.4 290 292 A P - 0 0 35 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.338 27.4-117.6 -76.1 164.0 6.6 3.2 21.6 291 293 A V - 0 0 108 -154,-0.0 -155,-0.1 -2,-0.0 -156,-0.1 -0.892 28.3-132.3-101.1 131.6 5.5 6.5 20.2 292 294 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 -155,-0.0 -0.387 14.4-119.8 -74.7 158.8 4.6 6.5 16.5 293 295 A H - 0 0 144 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.888 40.7-173.6 -94.6 107.9 5.9 9.1 14.0 294 296 A L - 0 0 22 -2,-0.8 2,-0.8 -159,-0.1 -206,-0.0 -0.876 21.9-151.8-105.9 131.1 2.7 10.6 12.7 295 297 A R 0 0 196 -2,-0.5 -204,-0.0 1,-0.2 -2,-0.0 -0.900 360.0 360.0 -95.5 110.0 2.5 13.1 9.9 296 298 A L 0 0 157 -2,-0.8 -1,-0.2 -213,-0.0 0, 0.0 0.786 360.0 360.0-101.5 360.0 -0.6 15.1 10.7