==== 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 HYDROLASE 28-NOV-05 2C7S . COMPND 2 MOLECULE: RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE KAPPA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.DEBRECZENI,E.UGOCHUKWU,J.ESWARAN,A.BARR,S.DAS,N.BURGESS, . 289 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 26.3 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+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 0 1 0 1 0 0 2 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 1 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 1 865 A M 0 0 113 0, 0.0 247,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 110.9 49.5 12.5 16.7 2 866 A P - 0 0 111 0, 0.0 245,-0.2 0, 0.0 246,-0.1 -0.305 360.0-101.1 -77.5 159.0 46.5 12.1 14.3 3 867 A A - 0 0 48 242,-0.1 2,-0.5 243,-0.1 242,-0.2 -0.362 36.1-124.3 -67.9 156.7 42.8 12.2 15.2 4 868 A I E -A 244 0A 30 240,-3.3 240,-2.5 -2,-0.1 5,-0.1 -0.927 18.2-120.2-108.2 128.0 41.0 8.8 15.5 5 869 A R E > -A 243 0A 167 -2,-0.5 3,-1.3 238,-0.2 4,-0.5 -0.423 24.0-125.4 -61.4 138.6 37.9 8.0 13.4 6 870 A V G > S+ 0 0 36 236,-2.2 3,-1.0 1,-0.3 4,-0.4 0.835 111.3 56.4 -58.4 -36.2 35.0 7.3 15.8 7 871 A A G 3 S+ 0 0 94 235,-0.4 -1,-0.3 1,-0.2 4,-0.3 0.752 110.1 47.1 -64.7 -25.1 34.3 3.9 14.1 8 872 A D G <> S+ 0 0 70 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.415 86.0 92.7 -95.1 -2.1 38.0 3.0 14.9 9 873 A L H <> S+ 0 0 0 -3,-1.0 4,-2.5 -4,-0.5 5,-0.2 0.884 80.8 54.6 -64.5 -39.1 37.8 4.2 18.5 10 874 A L H > S+ 0 0 93 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.924 113.5 41.1 -63.0 -45.3 36.9 0.8 20.0 11 875 A Q H > S+ 0 0 163 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.863 113.0 55.9 -66.7 -37.8 39.9 -1.0 18.3 12 876 A H H X S+ 0 0 43 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.910 109.0 46.5 -60.1 -44.1 42.2 2.0 19.2 13 877 A I H X S+ 0 0 3 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.929 111.8 50.2 -65.6 -47.8 41.3 1.7 22.9 14 878 A N H < S+ 0 0 97 -4,-1.9 4,-0.5 1,-0.2 3,-0.3 0.919 111.9 48.4 -54.1 -50.1 41.8 -2.1 22.9 15 879 A L H >X S+ 0 0 85 -4,-2.5 4,-3.4 1,-0.2 3,-1.0 0.883 109.8 52.2 -56.9 -43.1 45.2 -1.7 21.3 16 880 A M H 3< S+ 0 0 7 -4,-2.0 8,-2.1 1,-0.3 9,-0.3 0.771 112.2 45.8 -67.7 -26.8 46.2 1.0 23.8 17 881 A K T 3< S+ 0 0 115 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.468 124.3 35.4 -86.6 -5.1 45.2 -1.4 26.6 18 882 A T T <4 S+ 0 0 99 -3,-1.0 -2,-0.2 -4,-0.5 -3,-0.2 0.743 84.3 105.3-119.2 -41.5 47.1 -4.3 24.9 19 883 A S < - 0 0 41 -4,-3.4 5,-0.1 3,-0.2 -4,-0.0 -0.207 43.8-164.6 -60.2 135.2 50.3 -3.1 23.1 20 884 A D S S+ 0 0 103 2,-0.1 3,-0.2 1,-0.1 -1,-0.1 0.737 91.6 50.2 -83.5 -29.9 53.7 -3.8 24.7 21 885 A S S S- 0 0 89 1,-0.2 2,-0.4 5,-0.0 -1,-0.1 0.977 128.8 -2.7 -70.1 -62.2 55.3 -1.3 22.4 22 886 A Y S S+ 0 0 85 -7,-0.1 -1,-0.2 4,-0.1 -3,-0.2 -0.939 79.4 134.1-144.3 113.1 53.0 1.8 22.9 23 887 A G > - 0 0 2 -2,-0.4 4,-2.6 -3,-0.2 5,-0.2 -0.545 69.8 -54.6-136.0-154.6 49.9 2.0 25.0 24 888 A F H > S+ 0 0 6 -8,-2.1 4,-3.0 1,-0.2 5,-0.3 0.851 128.0 55.0 -63.3 -35.3 48.2 4.2 27.6 25 889 A K H > S+ 0 0 65 -9,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.943 113.1 41.1 -61.5 -49.3 51.2 4.2 29.9 26 890 A E H > S+ 0 0 73 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.925 118.0 47.4 -66.5 -44.6 53.6 5.5 27.3 27 891 A E H >< S+ 0 0 4 -4,-2.6 3,-1.0 2,-0.2 4,-0.4 0.954 114.5 44.7 -63.4 -52.2 51.0 8.0 25.8 28 892 A Y H >< S+ 0 0 33 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.891 109.4 56.6 -59.9 -40.6 50.0 9.4 29.2 29 893 A E H 3< S+ 0 0 140 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.693 96.4 66.9 -67.1 -16.6 53.6 9.7 30.3 30 894 A S T << S+ 0 0 60 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.620 79.2 99.8 -78.8 -14.0 54.3 11.8 27.3 31 895 A F S < S- 0 0 15 -3,-1.6 2,-0.8 -4,-0.4 220,-0.0 -0.339 89.9 -98.1 -68.0 153.8 52.1 14.7 28.5 32 896 A F - 0 0 128 219,-0.0 227,-0.4 -2,-0.0 2,-0.3 -0.673 40.7-159.0 -79.5 110.7 53.9 17.6 30.2 33 897 A E + 0 0 122 -2,-0.8 2,-0.1 -4,-0.2 225,-0.0 -0.684 51.8 5.6 -87.3 139.4 53.8 17.1 34.0 34 898 A G S S- 0 0 23 -2,-0.3 225,-0.4 21,-0.0 2,-0.4 -0.336 109.9 -5.3 87.1-166.3 54.2 20.2 36.3 35 899 A Q + 0 0 94 1,-0.1 -2,-0.1 223,-0.1 3,-0.1 -0.488 50.5 167.0 -72.5 119.4 54.6 23.9 35.6 36 900 A S + 0 0 59 -2,-0.4 2,-0.3 218,-0.2 -1,-0.1 0.453 65.5 25.0-108.0 -6.2 54.8 24.8 31.9 37 901 A A S S- 0 0 28 219,-0.0 -1,-0.1 23,-0.0 221,-0.1 -0.960 93.3 -73.9-151.9 163.8 54.3 28.6 32.2 38 902 A S + 0 0 58 -2,-0.3 22,-2.1 1,-0.1 23,-0.4 -0.258 31.5 179.1 -58.8 144.9 54.7 31.5 34.7 39 903 A W > + 0 0 28 20,-0.3 4,-1.4 21,-0.1 5,-0.1 -0.280 26.8 143.9-137.0 54.4 52.3 31.9 37.6 40 904 A D H > S+ 0 0 116 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.899 72.1 47.1 -62.5 -45.1 53.8 35.0 39.2 41 905 A V H >4 S+ 0 0 33 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.921 111.3 51.7 -65.0 -43.9 50.4 36.5 40.3 42 906 A A H 34 S+ 0 0 2 16,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.773 110.8 50.9 -60.1 -30.3 49.2 33.2 41.8 43 907 A K H 3< S+ 0 0 130 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.521 81.1 114.6 -89.4 -9.2 52.4 32.9 43.8 44 908 A K S X< S- 0 0 72 -3,-1.1 3,-2.0 -4,-0.6 4,-0.3 -0.329 76.9-115.2 -71.8 150.0 52.5 36.3 45.4 45 909 A D G > S+ 0 0 146 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.763 112.4 60.8 -54.1 -33.3 52.2 36.4 49.2 46 910 A Q G 3 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.695 105.2 48.5 -71.3 -20.3 48.8 38.3 49.1 47 911 A N G X S+ 0 0 0 -3,-2.0 3,-1.5 -6,-0.2 4,-0.3 0.330 78.7 105.2-101.6 7.6 47.2 35.4 47.2 48 912 A R G X S+ 0 0 69 -3,-1.1 3,-1.1 1,-0.3 -1,-0.1 0.899 80.8 47.8 -55.7 -47.2 48.4 32.6 49.5 49 913 A A G 3 S+ 0 0 69 -4,-0.3 -1,-0.3 1,-0.2 51,-0.2 0.546 101.7 68.7 -72.9 -5.6 45.0 32.0 51.2 50 914 A K G < S+ 0 0 26 -3,-1.5 2,-0.5 -8,-0.1 28,-0.5 0.477 83.9 77.2 -95.1 -3.8 43.3 31.9 47.7 51 915 A N < - 0 0 26 -3,-1.1 3,-0.2 -4,-0.3 6,-0.1 -0.943 58.5-163.9-112.7 116.5 44.8 28.6 46.5 52 916 A R S S+ 0 0 55 -2,-0.5 2,-0.5 1,-0.3 -1,-0.1 0.906 89.1 27.5 -64.3 -45.5 43.3 25.4 47.9 53 917 A Y S > S- 0 0 82 3,-0.4 3,-1.2 167,-0.2 -1,-0.3 -0.991 76.2-148.7-119.5 121.1 46.3 23.3 46.7 54 918 A G T 3 S+ 0 0 45 -2,-0.5 3,-0.2 1,-0.2 -1,-0.1 0.609 96.6 52.7 -62.7 -17.5 49.6 25.3 46.4 55 919 A N T 3 S+ 0 0 133 1,-0.2 2,-0.6 203,-0.0 -1,-0.2 0.586 102.6 60.1 -93.2 -14.9 50.8 23.1 43.5 56 920 A I S < S+ 0 0 12 -3,-1.2 -3,-0.4 201,-0.0 2,-0.3 -0.786 74.9 140.3-119.5 84.2 47.7 23.6 41.3 57 921 A I - 0 0 2 -2,-0.6 201,-0.5 -3,-0.2 2,-0.3 -0.813 54.4 -82.2-130.2 163.5 47.5 27.4 40.8 58 922 A A - 0 0 0 -2,-0.3 -16,-0.5 199,-0.1 199,-0.1 -0.497 36.3-127.0 -83.1 127.1 46.6 29.6 37.8 59 923 A Y >> - 0 0 1 197,-0.4 4,-0.7 -2,-0.3 3,-0.6 -0.376 18.9-126.2 -63.6 145.1 49.0 30.5 35.0 60 924 A D G >4 S+ 0 0 38 -22,-2.1 3,-1.1 1,-0.2 -21,-0.1 0.945 103.9 53.2 -56.6 -52.7 49.4 34.2 34.2 61 925 A H G 34 S+ 0 0 104 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.721 121.4 28.3 -62.8 -23.6 48.7 34.0 30.5 62 926 A S G <4 S+ 0 0 2 -3,-0.6 19,-2.8 194,-0.2 -1,-0.2 0.291 90.4 124.4-121.3 7.0 45.3 32.1 30.8 63 927 A R B << -B 80 0B 19 -3,-1.1 2,-0.7 -4,-0.7 17,-0.3 -0.341 66.6-110.9 -78.8 152.7 44.0 33.2 34.2 64 928 A V - 0 0 0 15,-1.8 2,-0.6 13,-0.3 13,-0.5 -0.717 34.4-152.8 -79.4 112.4 40.6 34.8 34.9 65 929 A I - 0 0 97 -2,-0.7 2,-0.4 11,-0.1 11,-0.2 -0.801 5.6-151.7 -91.9 119.0 41.5 38.4 36.0 66 930 A L - 0 0 0 9,-2.1 3,-0.1 -2,-0.6 42,-0.1 -0.728 23.4-110.9 -87.0 138.3 38.9 40.0 38.3 67 931 A Q - 0 0 61 -2,-0.4 44,-0.1 1,-0.1 -1,-0.0 -0.521 52.7 -95.9 -59.4 131.8 38.3 43.7 38.3 68 932 A P 0 0 94 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.105 360.0 360.0 -58.2 149.0 39.7 44.9 41.7 69 933 A V 0 0 75 2,-0.5 5,-0.2 -3,-0.1 6,-0.1 -0.236 360.0 360.0-119.5 360.0 37.5 45.5 44.8 70 ! 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 71 936 A D > 0 0 117 0, 0.0 3,-1.2 0, 0.0 -2,-0.5 0.000 360.0 360.0 360.0 101.1 42.9 46.1 47.6 72 937 A P G > + 0 0 112 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.822 360.0 62.3 -62.3 -29.3 45.2 45.7 44.5 73 938 A S G > S+ 0 0 6 1,-0.2 3,-0.9 2,-0.1 -29,-0.0 0.428 75.6 92.9 -80.7 2.7 45.5 42.0 45.1 74 939 A S G < + 0 0 6 -3,-1.2 -1,-0.2 1,-0.2 -27,-0.0 0.183 61.7 85.0 -84.2 19.6 41.8 41.3 44.6 75 940 A D G < S+ 0 0 31 -3,-0.5 -9,-2.1 -7,-0.1 2,-0.4 0.437 74.4 96.9 -91.2 -1.1 42.3 40.6 40.9 76 941 A Y < + 0 0 0 -3,-0.9 2,-0.3 -11,-0.2 -11,-0.1 -0.782 34.4 153.8-106.7 131.1 43.2 37.0 41.6 77 942 A I - 0 0 6 -13,-0.5 2,-1.9 -2,-0.4 -13,-0.3 -0.973 50.9-113.1-140.7 142.8 41.2 33.7 41.5 78 943 A N S S+ 0 0 1 -28,-0.5 17,-1.7 -2,-0.3 2,-0.3 -0.576 78.7 113.7 -75.7 83.2 42.6 30.3 40.9 79 944 A A E - C 0 94B 0 -2,-1.9 -15,-1.8 15,-0.2 2,-0.3 -0.983 45.2-164.0-158.0 140.6 40.9 29.9 37.6 80 945 A N E -BC 63 93B 0 13,-2.2 13,-3.1 -2,-0.3 2,-0.2 -0.994 23.7-116.4-135.9 145.0 41.9 29.6 33.9 81 946 A Y E - C 0 92B 48 -19,-2.8 2,-0.4 -2,-0.3 11,-0.2 -0.566 29.6-171.4 -73.9 137.3 40.1 30.0 30.6 82 947 A I E - C 0 91B 2 9,-2.3 9,-2.6 -2,-0.2 8,-0.4 -0.998 21.8-121.5-130.4 134.6 40.0 26.9 28.4 83 948 A D E - 0 0 87 -2,-0.4 2,-0.2 6,-0.3 150,-0.1 -0.450 23.1-150.4 -69.9 146.4 38.7 26.8 24.7 84 949 A G E > - C 0 87B 10 3,-3.7 3,-1.6 -2,-0.1 2,-0.6 -0.458 47.4 -56.7-100.1-176.6 35.8 24.6 23.8 85 950 A Y T 3 S- 0 0 19 1,-0.3 -1,-0.1 -2,-0.2 149,-0.0 -0.521 122.9 -22.5 -67.8 111.5 35.1 23.0 20.4 86 951 A Q T 3 S+ 0 0 141 -2,-0.6 -1,-0.3 1,-0.1 -3,-0.0 0.798 123.2 107.0 51.5 33.5 35.1 25.9 17.9 87 952 A R E X -C 84 0B 82 -3,-1.6 -3,-3.7 0, 0.0 3,-1.1 -0.841 66.2-142.6-142.6 93.9 34.3 28.0 21.1 88 953 A P E 3 S- 0 0 106 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 -0.389 84.2 -2.7 -64.1 135.8 37.1 30.3 22.4 89 954 A S E 3 S+ 0 0 44 1,-0.1 -6,-0.3 -5,-0.1 -8,-0.0 0.880 82.3 153.8 48.5 46.9 37.2 30.5 26.2 90 955 A H E < + 0 0 33 -3,-1.1 124,-2.9 -8,-0.4 2,-0.3 0.792 59.9 37.8 -73.1 -30.6 34.1 28.3 26.5 91 956 A Y E -Cd 82 214B 0 -9,-2.6 -9,-2.3 122,-0.3 2,-0.4 -0.835 61.6-150.5-118.8 157.2 35.1 27.0 30.0 92 957 A I E -Cd 81 215B 0 122,-2.8 124,-3.4 -2,-0.3 2,-0.6 -0.994 17.7-154.9-117.1 120.3 36.7 28.3 33.1 93 958 A A E +Cd 80 216B 0 -13,-3.1 -13,-2.2 -2,-0.4 2,-0.3 -0.863 30.0 159.3 -92.7 122.3 38.6 25.6 35.0 94 959 A T E -Cd 79 217B 2 122,-2.7 124,-0.7 -2,-0.6 -15,-0.2 -0.932 39.0-100.1-142.3 161.7 38.8 26.5 38.7 95 960 A Q - 0 0 3 -17,-1.7 125,-0.2 -2,-0.3 124,-0.1 -0.312 49.6 -89.9 -70.4 161.3 39.4 25.1 42.1 96 961 A G - 0 0 0 123,-3.1 -44,-0.1 34,-0.2 -1,-0.1 -0.641 59.2-105.2 -66.1 123.9 36.6 24.3 44.6 97 962 A P - 0 0 1 0, 0.0 35,-2.5 0, 0.0 2,-0.2 -0.165 28.8-146.5 -53.0 145.9 36.2 27.5 46.5 98 963 A V >> - 0 0 21 33,-0.2 3,-2.0 -48,-0.1 4,-0.9 -0.631 37.0 -95.5 -97.9 169.1 37.5 27.9 50.1 99 964 A H G >4 S+ 0 0 113 1,-0.3 3,-0.8 -2,-0.2 4,-0.4 0.903 126.9 52.6 -48.3 -44.5 35.7 30.0 52.7 100 965 A E G 34 S+ 0 0 121 1,-0.2 -1,-0.3 -51,-0.2 4,-0.2 0.480 113.8 41.0 -76.3 -5.7 38.1 32.9 51.9 101 966 A T G <> S+ 0 0 4 -3,-2.0 4,-2.7 2,-0.1 -1,-0.2 0.355 82.0 98.0-122.6 3.3 37.4 32.8 48.1 102 967 A V H S+ 0 0 66 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.926 112.1 47.3 -65.0 -44.3 33.0 35.9 47.4 104 969 A D H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.867 107.5 58.3 -62.9 -38.6 35.6 36.0 44.6 105 970 A F H X S+ 0 0 2 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.954 110.4 41.5 -53.2 -55.7 33.9 32.9 43.1 106 971 A W H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.851 111.4 56.3 -61.2 -39.0 30.6 34.7 42.9 107 972 A R H X S+ 0 0 9 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.889 108.0 49.1 -56.7 -42.8 32.3 37.9 41.6 108 973 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 6,-0.3 0.881 109.4 50.9 -63.6 -41.8 33.8 35.8 38.8 109 974 A I H X>S+ 0 0 2 -4,-1.8 5,-1.5 2,-0.2 4,-0.7 0.908 114.7 44.6 -61.6 -42.4 30.4 34.3 38.0 110 975 A W H ><5S+ 0 0 12 -4,-2.4 3,-0.9 2,-0.2 -2,-0.2 0.972 115.7 46.0 -66.1 -54.6 28.9 37.8 37.8 111 976 A Q H 3<5S+ 0 0 66 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.876 117.5 42.1 -54.1 -45.6 31.8 39.3 35.8 112 977 A E H 3<5S- 0 0 32 -4,-2.5 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-125,-0.2 -167,-0.2 -168,-0.1 -125,-0.1 0.764 99.4-124.3 -77.5 -29.4 42.0 21.4 42.8 221 1086 A G S S+ 0 0 0 -126,-0.1 -126,-0.1 -127,-0.1 -5,-0.1 0.696 88.0 83.5 91.9 22.9 40.4 22.2 39.4 222 1087 A A S > S+ 0 0 0 38,-0.1 39,-2.1 3,-0.1 4,-0.9 0.744 84.4 32.9-119.5 -56.7 42.7 19.8 37.5 223 1088 A G H > S+ 0 0 0 37,-0.2 4,-2.3 38,-0.2 38,-0.2 0.998 125.6 24.2 -80.8 -73.5 41.7 16.2 37.4 224 1089 A R H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.851 124.5 55.7 -65.1 -33.3 37.9 15.6 37.4 225 1090 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 108.0 49.2 -63.0 -46.4 37.6 19.1 35.9 226 1091 A G H X S+ 0 0 0 -4,-0.9 4,-2.6 2,-0.2 5,-0.2 0.916 109.4 51.9 -57.4 -47.4 39.9 18.0 33.1 227 1092 A C H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.938 109.8 48.5 -58.6 -49.8 37.9 14.9 32.5 228 1093 A Y H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.930 114.3 45.4 -54.0 -52.1 34.6 16.7 32.2 229 1094 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.907 112.5 49.3 -65.3 -42.6 36.0 19.3 29.7 230 1095 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.962 113.2 46.2 -65.4 -47.6 37.8 16.8 27.5 231 1096 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.923 112.7 51.8 -57.2 -43.7 34.8 14.5 27.2 232 1097 A D H X S+ 0 0 2 -4,-2.3 4,-1.2 -5,-0.3 -2,-0.2 0.932 113.5 42.7 -60.5 -50.8 32.5 17.6 26.5 233 1098 A I H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.884 113.4 52.2 -59.0 -44.9 34.8 18.9 23.7 234 1099 A M H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.840 105.4 54.2 -67.3 -33.2 35.4 15.5 22.2 235 1100 A L H X S+ 0 0 26 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.837 109.3 49.1 -69.3 -32.6 31.7 14.7 21.9 236 1101 A D H X S+ 0 0 32 -4,-1.2 4,-2.1 2,-0.2 5,-0.2 0.914 113.2 46.9 -66.5 -45.6 31.2 18.0 20.0 237 1102 A M H X>S+ 0 0 29 -4,-2.3 4,-3.4 2,-0.2 6,-0.6 0.906 111.7 50.8 -63.4 -43.6 34.1 17.0 17.7 238 1103 A A H X5S+ 0 0 15 -4,-2.8 4,-1.9 3,-0.2 -1,-0.2 0.928 110.5 49.0 -58.2 -48.2 32.7 13.5 17.2 239 1104 A E H <5S+ 0 0 113 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 121.9 33.7 -59.3 -47.1 29.2 14.9 16.3 240 1105 A R H <5S+ 0 0 114 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.924 135.2 19.4 -76.3 -47.6 30.6 17.4 13.8 241 1106 A E H <5S- 0 0 107 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.2 0.562 87.7-125.9-106.5 -12.3 33.6 15.6 12.3 242 1107 A G S < + 0 0 31 -2,-0.3 4,-1.7 -242,-0.2 5,-0.1 -0.604 20.6 159.1-132.9 71.2 41.6 13.8 19.1 246 1111 A I H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 70.1 55.6 -64.2 -45.6 41.8 13.1 22.8 247 1112 A Y H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 112.1 41.6 -57.0 -48.2 45.6 13.3 23.1 248 1113 A N H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.783 110.5 59.2 -73.9 -24.9 45.8 16.7 21.5 249 1114 A C H X S+ 0 0 12 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.945 107.2 44.9 -65.3 -49.3 42.8 17.9 23.6 250 1115 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.920 111.7 54.0 -58.4 -45.0 44.6 17.1 26.9 251 1116 A K H X S+ 0 0 118 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.913 108.9 49.2 -54.2 -47.1 47.8 18.7 25.5 252 1117 A A H >X S+ 0 0 54 -4,-2.2 4,-0.8 1,-0.2 3,-0.5 0.914 110.4 49.7 -59.8 -46.0 45.7 21.9 24.8 253 1118 A L H >X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 3,-1.0 0.894 106.8 55.5 -60.7 -40.4 44.1 22.0 28.3 254 1119 A R H 3< S+ 0 0 16 -4,-2.4 -1,-0.2 1,-0.3 -218,-0.2 0.743 98.7 61.2 -71.8 -20.1 47.5 21.6 29.9 255 1120 A S H << S+ 0 0 56 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.830 111.9 40.9 -65.5 -29.5 48.8 24.7 28.1 256 1121 A R H << S+ 0 0 57 -3,-1.0 -197,-0.4 -4,-0.8 2,-0.3 0.751 128.8 10.1 -93.2 -28.3 46.1 26.6 29.9 257 1122 A R S >< S- 0 0 0 -4,-1.6 3,-1.0 -199,-0.1 -1,-0.3 -0.970 87.5 -90.4-158.5 136.1 46.2 25.1 33.4 258 1123 A I T 3 S- 0 0 6 -201,-0.5 -223,-0.1 -2,-0.3 -225,-0.1 -0.168 94.6 -12.0 -54.3 131.6 48.7 22.7 35.2 259 1124 A N T 3 S- 0 0 31 -225,-0.4 -1,-0.2 -227,-0.4 -33,-0.1 0.655 71.7-174.8 58.4 27.8 48.2 18.9 35.1 260 1125 A M S < S+ 0 0 0 -3,-1.0 -37,-0.2 -10,-0.1 -1,-0.2 -0.366 74.4 31.0 -55.7 133.0 44.6 18.8 33.7 261 1126 A V S S- 0 0 0 -39,-2.1 -38,-0.2 -38,-0.2 -1,-0.1 0.955 83.8-160.1 68.2 86.8 43.7 15.1 33.8 262 1127 A Q + 0 0 86 4,-0.1 2,-0.3 2,-0.0 -39,-0.1 0.631 59.4 35.1 -80.4 -19.7 45.7 14.1 36.8 263 1128 A T S > S- 0 0 59 1,-0.1 4,-1.8 -40,-0.1 5,-0.1 -0.933 71.4-123.2-135.2 157.2 46.1 10.3 36.5 264 1129 A E H > S+ 0 0 61 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.855 114.3 59.6 -63.2 -37.8 46.5 7.7 33.8 265 1130 A E H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 106.0 47.9 -55.8 -42.9 43.3 6.1 35.1 266 1131 A Q H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.891 108.9 53.5 -65.3 -40.7 41.4 9.3 34.4 267 1132 A Y H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.923 111.7 45.6 -59.9 -42.9 43.0 9.5 30.9 268 1133 A I H X S+ 0 0 37 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.896 108.9 55.6 -67.7 -42.7 41.7 6.0 30.2 269 1134 A F H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.874 101.8 57.9 -56.5 -40.6 38.3 6.8 31.6 270 1135 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.910 109.3 45.6 -54.3 -44.6 38.0 9.7 29.2 271 1136 A H H X S+ 0 0 1 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.928 112.8 48.5 -63.6 -49.7 38.5 7.2 26.4 272 1137 A D H X S+ 0 0 52 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.867 113.0 48.9 -59.7 -40.6 36.0 4.7 27.8 273 1138 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.926 111.3 47.6 -66.4 -46.9 33.4 7.4 28.4 274 1139 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.897 112.4 51.4 -60.5 -42.0 33.7 8.9 24.8 275 1140 A L H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.906 108.7 49.0 -62.4 -46.4 33.4 5.4 23.4 276 1141 A E H X>S+ 0 0 18 -4,-2.1 4,-3.1 2,-0.2 5,-0.5 0.919 112.8 50.1 -58.3 -40.9 30.3 4.5 25.3 277 1142 A A H X5S+ 0 0 12 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.913 114.0 43.2 -63.3 -46.1 28.9 7.9 24.1 278 1143 A C H <5S+ 0 0 44 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.840 120.5 41.6 -68.2 -38.0 29.7 7.1 20.5 279 1144 A L H <5S+ 0 0 85 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.937 127.6 28.3 -73.5 -48.9 28.5 3.5 20.6 280 1145 A a H <5S- 0 0 22 -4,-3.1 3,-0.2 -5,-0.3 -3,-0.2 0.867 88.3-168.7 -86.9 -41.5 25.4 4.1 22.6 281 1146 A G << - 0 0 28 -4,-1.8 3,-0.2 -5,-0.5 -1,-0.1 -0.372 46.3 -50.3 78.4-160.2 24.3 7.6 21.8 282 1147 A E S S+ 0 0 157 1,-0.3 2,-0.8 -2,-0.1 -1,-0.2 0.796 129.6 46.4 -89.7 -36.5 21.6 9.7 23.6 283 1148 A T S S+ 0 0 105 -3,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.866 81.4 155.4-107.3 90.4 18.7 7.3 23.6 284 1149 A A - 0 0 54 -2,-0.8 -3,-0.1 -3,-0.2 -4,-0.1 -0.948 37.0-138.5-118.7 141.1 20.3 4.1 24.8 285 1150 A I > - 0 0 123 -2,-0.4 3,-1.5 -5,-0.1 -2,-0.0 -0.530 37.0-102.6 -83.8 162.5 18.9 1.0 26.6 286 1151 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.730 113.2 72.2 -62.3 -26.3 21.0 -0.6 29.4 287 1152 A V T > S+ 0 0 116 2,-0.1 3,-0.9 3,-0.0 2,-0.6 0.771 79.3 91.3 -60.2 -25.6 22.3 -3.6 27.3 288 1153 A a T < S- 0 0 43 -3,-1.5 -8,-0.1 1,-0.3 -4,-0.0 -0.626 112.9 -13.9 -76.1 115.8 24.6 -1.0 25.5 289 1154 A E T 3 0 0 78 -2,-0.6 -1,-0.3 1,-0.2 -95,-0.1 0.762 360.0 360.0 57.0 30.4 27.9 -0.9 27.4 290 1155 A F < 0 0 193 -3,-0.9 -1,-0.2 -98,-0.1 -3,-0.0 -0.632 360.0 360.0 -66.7 360.0 26.5 -2.8 30.4