==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUL-10 3NZ0 . COMPND 2 MOLECULE: NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT,M.ULTSCH . 285 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 2 1 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 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 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 1 888 A D > 0 0 172 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.3 1.6 22.9 -6.4 2 889 A P T 3 + 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.489 360.0 77.8 -71.1 -1.5 0.8 19.6 -8.4 3 890 A T T 3 S+ 0 0 55 74,-0.1 75,-2.2 2,-0.0 2,-0.7 0.471 75.1 90.4 -81.3 -6.4 1.1 17.7 -5.1 4 891 A V B < -a 78 0A 83 -3,-1.6 2,-0.5 73,-0.2 75,-0.2 -0.850 56.3-175.0 -97.3 115.8 -2.4 18.9 -4.1 5 892 A F - 0 0 15 73,-2.2 2,-0.5 -2,-0.7 75,-0.4 -0.952 18.7-139.6-110.4 120.8 -5.3 16.6 -5.3 6 893 A H > - 0 0 75 -2,-0.5 3,-1.9 73,-0.1 4,-0.4 -0.699 7.7-141.5 -82.4 126.1 -8.8 17.8 -4.6 7 894 A K G > S+ 0 0 64 73,-0.5 3,-1.5 -2,-0.5 -1,-0.1 0.805 96.8 67.3 -55.9 -34.9 -11.1 15.0 -3.4 8 895 A R G 3 S+ 0 0 169 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.697 101.7 47.8 -63.0 -20.6 -14.1 16.3 -5.5 9 896 A Y G < S+ 0 0 50 -3,-1.9 21,-3.0 2,-0.0 2,-0.7 0.451 86.2 103.9 -98.5 -2.9 -12.2 15.5 -8.7 10 897 A L E < -B 29 0A 19 -3,-1.5 2,-0.6 -4,-0.4 19,-0.2 -0.733 52.0-169.1 -84.7 115.0 -11.2 11.9 -7.7 11 898 A K E -B 28 0A 87 17,-2.4 17,-2.3 -2,-0.7 2,-0.1 -0.911 18.4-133.9-109.5 110.5 -13.5 9.4 -9.5 12 899 A K E +B 27 0A 109 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.397 30.3 169.0 -69.6 132.7 -13.1 5.8 -8.1 13 900 A I E - 0 0 91 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.800 59.2 -40.5-105.0 -55.3 -12.8 3.0 -10.7 14 901 A R E -B 26 0A 134 12,-1.1 12,-3.6 0, 0.0 -1,-0.4 -0.977 58.0 -87.3-162.8 171.7 -11.8 -0.0 -8.6 15 902 A D E -B 25 0A 67 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.616 31.7-177.8 -85.9 151.6 -9.7 -1.4 -5.7 16 903 A L E - 0 0 59 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.731 53.0 -21.2-118.0 -47.7 -6.1 -2.5 -6.5 17 904 A G E -B 24 0A 33 7,-1.8 7,-3.7 80,-0.1 2,-0.5 -0.990 47.4-120.3-167.3 159.7 -4.4 -3.9 -3.3 18 905 A E E +B 23 0A 128 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.942 31.0 178.0-111.5 123.2 -4.3 -4.1 0.4 19 906 A G - 0 0 11 3,-3.4 27,-0.0 -2,-0.5 122,-0.0 -0.317 47.6 -78.2-105.5-166.6 -1.2 -3.0 2.4 20 907 A H S S+ 0 0 35 1,-0.2 3,-0.0 -2,-0.1 26,-0.0 0.965 123.4 5.2 -60.7 -60.0 -0.4 -2.8 6.1 21 908 A F S S+ 0 0 19 35,-0.1 25,-3.2 1,-0.1 2,-0.3 0.765 127.6 45.7 -90.2 -33.8 -2.3 0.4 7.0 22 909 A G E - C 0 45A 0 23,-0.3 -3,-3.4 24,-0.1 2,-0.5 -0.787 61.1-133.1-130.0 155.8 -4.1 1.2 3.7 23 910 A K E -BC 18 44A 65 21,-2.1 21,-1.9 -2,-0.3 2,-0.4 -0.912 27.4-143.6-102.0 130.9 -6.1 0.0 0.8 24 911 A V E +BC 17 43A 27 -7,-3.7 -8,-3.3 -2,-0.5 -7,-1.8 -0.808 23.2 179.3 -97.2 133.8 -4.9 1.2 -2.7 25 912 A S E -BC 15 42A 6 17,-2.6 17,-2.7 -2,-0.4 2,-0.4 -0.931 29.0-112.5-133.5 156.8 -7.6 2.0 -5.3 26 913 A L E +BC 14 41A 11 -12,-3.6 -13,-3.3 -2,-0.3 -12,-1.1 -0.770 38.9 174.1 -92.0 131.1 -7.6 3.2 -8.9 27 914 A Y E -BC 12 40A 30 13,-2.5 13,-2.5 -2,-0.4 2,-0.6 -0.959 31.7-135.1-132.5 150.3 -9.0 6.7 -9.5 28 915 A C E -BC 11 39A 11 -17,-2.3 -17,-2.4 -2,-0.3 2,-0.9 -0.955 20.2-146.2 -97.5 118.4 -9.4 9.0 -12.5 29 916 A Y E +BC 10 38A 32 9,-3.0 9,-0.8 -2,-0.6 -19,-0.2 -0.800 30.0 174.3 -85.3 107.4 -8.3 12.5 -11.3 30 917 A D > + 0 0 1 -21,-3.0 3,-1.9 -2,-0.9 5,-0.1 -0.638 22.3 164.9-129.9 70.4 -10.8 14.4 -13.5 31 918 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.800 85.6 51.9 -54.3 -33.5 -10.9 18.2 -13.0 32 919 A T T 3 S- 0 0 91 -23,-0.1 -2,-0.0 1,-0.0 -23,-0.0 0.469 103.4-132.7 -85.2 -1.9 -12.8 18.7 -16.3 33 920 A N S < S+ 0 0 100 -3,-1.9 -3,-0.0 -24,-0.1 -4,-0.0 0.893 75.0 117.6 52.9 46.9 -15.4 16.1 -15.2 34 921 A D S S- 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.384 86.4-111.8-127.6 -9.2 -14.8 14.7 -18.7 35 922 A G S S+ 0 0 63 -5,-0.1 -6,-0.0 -7,-0.1 -5,-0.0 0.524 96.4 100.5 74.1 8.9 -13.4 11.2 -18.3 36 923 A T + 0 0 99 -8,-0.1 -7,-0.1 2,-0.0 -6,-0.1 0.413 51.9 118.1-103.9 -0.9 -10.1 12.5 -19.7 37 924 A G S S- 0 0 19 1,-0.1 -7,-0.2 -9,-0.1 2,-0.1 -0.081 73.1 -83.2 -69.1 166.1 -8.2 12.9 -16.4 38 925 A E E -C 29 0A 100 -9,-0.8 -9,-3.0 -10,-0.1 2,-0.5 -0.409 39.3-122.9 -68.6 139.9 -5.0 11.2 -15.3 39 926 A M E +C 28 0A 65 -11,-0.2 54,-0.5 -2,-0.1 2,-0.3 -0.759 40.5 172.6 -84.6 127.9 -5.2 7.7 -13.8 40 927 A V E -CD 27 92A 0 -13,-2.5 -13,-2.5 -2,-0.5 2,-0.5 -0.931 33.8-121.9-134.4 154.4 -3.7 7.6 -10.3 41 928 A A E -CD 26 91A 6 50,-2.7 50,-3.6 -2,-0.3 2,-0.4 -0.877 28.6-166.7 -95.1 129.5 -3.4 5.1 -7.4 42 929 A V E -CD 25 90A 2 -17,-2.7 -17,-2.6 -2,-0.5 2,-0.4 -0.979 2.9-159.6-122.2 128.2 -4.8 6.5 -4.2 43 930 A K E -CD 24 89A 6 46,-3.1 46,-2.7 -2,-0.4 2,-0.3 -0.889 10.0-173.6-110.5 137.0 -4.1 4.8 -0.8 44 931 A A E -C 23 0A 31 -21,-1.9 -21,-2.1 -2,-0.4 44,-0.1 -0.964 35.7 -95.0-130.7 145.4 -6.3 5.3 2.2 45 932 A L E -C 22 0A 25 42,-0.5 -23,-0.3 -2,-0.3 -24,-0.1 -0.345 61.0 -93.0 -52.4 132.3 -6.1 4.3 5.9 46 933 A K > - 0 0 48 -25,-3.2 3,-1.7 1,-0.1 -1,-0.1 -0.167 28.8-122.3 -54.1 144.0 -8.2 1.1 6.2 47 934 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.769 110.9 49.3 -60.3 -29.5 -11.8 1.6 7.3 48 935 A D T 3 S+ 0 0 147 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.138 84.4 106.7-103.3 16.3 -11.4 -0.6 10.4 49 936 A C < - 0 0 28 -3,-1.7 -28,-0.0 -28,-0.1 -4,-0.0 -0.818 64.0-140.5 -83.0 134.5 -8.2 1.1 11.7 50 937 A G > - 0 0 24 -2,-0.4 3,-1.5 1,-0.0 4,-0.2 -0.163 34.8 -82.0 -81.9-175.6 -8.9 3.3 14.7 51 938 A P G > S+ 0 0 108 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.739 120.8 71.6 -61.3 -27.2 -7.4 6.7 15.6 52 939 A Q G 3 S+ 0 0 138 1,-0.3 4,-0.4 2,-0.1 3,-0.2 0.642 93.3 56.6 -64.7 -17.5 -4.2 5.1 17.0 53 940 A H G <> S+ 0 0 69 -3,-1.5 4,-2.1 1,-0.2 -1,-0.3 0.535 83.7 85.0 -89.4 -9.2 -3.1 4.2 13.4 54 941 A R H <> S+ 0 0 102 -3,-1.4 4,-2.5 -4,-0.2 5,-0.2 0.879 88.2 50.0 -62.1 -41.7 -3.3 7.8 12.1 55 942 A S H > S+ 0 0 91 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.911 112.4 47.2 -64.5 -43.1 0.3 8.7 13.3 56 943 A G H > S+ 0 0 13 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.860 112.7 50.6 -63.9 -37.0 1.8 5.5 11.6 57 944 A W H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 3,-0.2 0.929 108.7 49.6 -68.0 -47.6 -0.2 6.3 8.4 58 945 A K H X S+ 0 0 114 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.881 108.0 56.2 -58.8 -38.4 1.0 9.9 8.2 59 946 A Q H X S+ 0 0 67 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.858 103.2 53.8 -61.9 -38.9 4.6 8.6 8.7 60 947 A E H X S+ 0 0 6 -4,-1.4 4,-2.5 -3,-0.2 -1,-0.2 0.930 111.8 45.1 -58.1 -48.1 4.2 6.3 5.7 61 948 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.928 112.5 51.1 -60.7 -48.6 3.2 9.3 3.6 62 949 A D H X S+ 0 0 78 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.884 112.6 47.4 -56.2 -41.9 6.0 11.5 5.1 63 950 A I H >< S+ 0 0 6 -4,-2.5 3,-1.6 2,-0.2 4,-0.3 0.975 111.4 47.3 -66.9 -54.3 8.6 8.8 4.2 64 951 A L H >< S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.3 11,-0.3 0.870 106.1 60.3 -58.2 -38.6 7.5 8.1 0.6 65 952 A R H 3< S+ 0 0 116 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.746 102.6 52.5 -58.8 -26.8 7.4 11.8 -0.1 66 953 A T T << S+ 0 0 71 -3,-1.6 2,-0.4 -4,-0.7 -1,-0.3 0.392 95.9 89.9 -90.3 1.4 11.1 12.1 0.7 67 954 A L < + 0 0 11 -3,-1.8 8,-0.4 -4,-0.3 2,-0.3 -0.868 44.3 169.3-108.9 132.5 12.0 9.2 -1.7 68 955 A Y + 0 0 202 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.866 25.2 124.1-144.4 101.0 12.9 9.7 -5.4 69 956 A H > - 0 0 54 3,-0.3 3,-1.9 -2,-0.3 54,-0.1 -0.973 63.7-117.7-160.2 147.3 14.2 6.7 -7.3 70 957 A E T 3 S+ 0 0 114 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.617 115.3 48.1 -65.7 -14.4 13.4 4.7 -10.4 71 958 A H T 3 S+ 0 0 5 80,-0.1 81,-2.4 51,-0.1 2,-0.4 0.079 97.9 81.2-115.1 24.6 12.8 1.5 -8.3 72 959 A I B < S-f 152 0B 4 -3,-1.9 -3,-0.3 79,-0.3 81,-0.2 -0.996 93.3-100.7-124.8 132.9 10.6 3.1 -5.7 73 960 A I - 0 0 6 79,-2.6 2,-0.5 -2,-0.4 -6,-0.1 -0.215 49.0-108.2 -51.6 135.4 6.9 3.7 -6.3 74 961 A K - 0 0 92 -4,-0.1 18,-1.8 -6,-0.1 2,-0.4 -0.585 19.9-140.1 -84.0 122.5 6.4 7.3 -7.2 75 962 A Y E + E 0 91A 31 -2,-0.5 16,-0.2 -8,-0.4 3,-0.1 -0.629 24.2 172.4 -71.4 127.3 4.8 9.8 -4.7 76 963 A K E - 0 0 46 14,-2.8 2,-0.3 -2,-0.4 15,-0.2 0.730 50.9 -84.6-104.5 -39.2 2.4 12.2 -6.6 77 964 A G E - E 0 90A 0 13,-1.9 13,-3.1 -73,-0.0 -1,-0.4 -0.991 42.3 -73.4 167.3-158.4 0.8 13.9 -3.7 78 965 A C E -aE 4 89A 18 -75,-2.2 -73,-2.2 -2,-0.3 2,-0.5 -0.912 19.7-145.7-129.8 158.7 -1.9 13.9 -1.1 79 966 A C E - E 0 88A 0 9,-2.2 9,-2.5 -2,-0.3 2,-0.5 -0.977 17.1-152.1-124.7 114.7 -5.7 14.4 -1.0 80 967 A E E - 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0 0 65 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.757 60.6 -69.5 54.4 32.1 7.6 -18.1 -9.0 211 1098 A C T 3 S+ 0 0 72 -2,-0.3 3,-1.6 1,-0.2 6,-0.3 0.881 98.3 59.5 -68.5 -38.7 2.0 -21.4 -2.8 214 1101 A S G 3 S+ 0 0 64 1,-0.3 -1,-0.2 5,-0.1 -2,-0.0 0.745 114.5 38.2 -61.8 -23.3 3.1 -25.0 -2.2 215 1102 A Q G < S+ 0 0 71 -3,-0.6 -1,-0.3 -6,-0.2 -2,-0.2 0.283 90.3 130.7-107.0 8.1 6.7 -23.7 -2.1 216 1103 A S S <> S- 0 0 24 -3,-1.6 4,-2.7 -4,-0.1 5,-0.3 -0.158 71.5-110.3 -64.7 154.6 6.0 -20.4 -0.2 217 1104 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.914 118.1 48.9 -53.2 -46.4 8.0 -19.5 2.8 218 1105 A P H > S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.934 113.8 46.3 -56.2 -47.4 5.1 -20.0 5.3 219 1106 A T H > S+ 0 0 63 -6,-0.3 4,-1.4 2,-0.2 5,-0.1 0.904 117.2 43.0 -61.9 -44.5 4.3 -23.5 3.8 220 1107 A K H X S+ 0 0 38 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.910 115.0 48.1 -72.1 -42.8 8.0 -24.6 3.8 221 1108 A F H X S+ 0 0 8 -4,-3.0 4,-3.0 -5,-0.3 5,-0.2 0.888 109.8 52.9 -63.4 -40.0 8.8 -23.2 7.3 222 1109 A L H X S+ 0 0 88 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.868 108.7 51.4 -64.2 -34.0 5.7 -24.8 8.7 223 1110 A E H < S+ 0 0 126 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.900 112.1 45.6 -64.5 -43.3 6.9 -28.1 7.2 224 1111 A L H < S+ 0 0 60 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.904 111.8 51.6 -66.7 -42.5 10.3 -27.6 8.8 225 1112 A I H < 0 0 20 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.881 360.0 360.0 -60.3 -40.8 8.7 -26.7 12.2 226 1113 A G < 0 0 98 -4,-1.9 -3,-0.1 -5,-0.2 -1,-0.1 0.427 360.0 360.0 74.7 360.0 6.6 -29.9 12.0 227 ! 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 0.0 228 1120 A T > 0 0 110 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -28.8 5.2 -21.2 16.0 229 1121 A V H > + 0 0 72 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.827 360.0 50.4 -68.7 -33.2 7.5 -18.0 16.3 230 1122 A L H > S+ 0 0 111 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.946 113.7 44.3 -65.3 -50.4 9.5 -19.7 19.1 231 1123 A R H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.801 112.9 52.1 -66.7 -31.5 10.0 -22.8 16.9 232 1124 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.928 110.7 48.1 -65.5 -46.7 10.8 -20.7 13.9 233 1125 A T H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.933 114.2 45.8 -59.8 -45.7 13.4 -18.8 15.9 234 1126 A E H X S+ 0 0 90 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.857 110.0 55.4 -65.0 -38.5 14.9 -22.1 17.2 235 1127 A L H <>S+ 0 0 1 -4,-2.0 5,-2.0 1,-0.2 -1,-0.2 0.918 112.4 41.6 -57.5 -47.8 14.8 -23.5 13.6 236 1128 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.836 109.7 57.6 -73.9 -35.1 16.8 -20.6 12.3 237 1129 A E H 3<5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.854 104.2 53.6 -63.3 -35.4 19.2 -20.5 15.2 238 1130 A R T 3<5S- 0 0 157 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.450 125.3-105.5 -78.5 -2.6 20.1 -24.2 14.5 239 1131 A G T < 5 + 0 0 44 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.511 68.2 148.5 95.1 7.6 20.9 -23.2 10.9 240 1132 A E < + 0 0 61 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.3 -0.543 20.7 174.8 -73.1 140.2 17.9 -24.5 9.1 241 1133 A R - 0 0 30 -2,-0.2 16,-0.0 1,-0.0 -5,-0.0 -0.896 40.1 -73.0-138.8 165.6 16.9 -22.5 6.0 242 1134 A L - 0 0 1 -2,-0.3 -1,-0.0 1,-0.1 -21,-0.0 -0.319 62.6-106.2 -55.3 143.9 14.4 -22.6 3.1 243 1135 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -23,-0.0 -0.211 37.5 -85.3 -75.4 166.0 15.4 -25.3 0.6 244 1136 A R - 0 0 124 1,-0.1 3,-0.1 4,-0.0 6,-0.0 -0.575 51.6-116.5 -68.8 123.5 17.0 -24.6 -2.8 245 1137 A P > - 0 0 5 0, 0.0 3,-2.2 0, 0.0 -36,-0.1 -0.271 41.2 -82.3 -58.6 149.1 14.2 -24.0 -5.3 246 1138 A D T 3 S+ 0 0 144 1,-0.3 0, 0.0 -37,-0.0 0, 0.0 -0.280 115.9 6.5 -50.9 130.7 13.8 -26.5 -8.2 247 1139 A K T 3 S+ 0 0 177 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.501 90.8 144.4 69.0 9.6 16.2 -25.7 -11.0 248 1140 A C < - 0 0 4 -3,-2.2 -1,-0.2 1,-0.1 5,-0.0 -0.656 52.2-120.2 -78.1 124.0 18.0 -23.0 -9.0 249 1141 A P >> - 0 0 23 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.281 20.6-115.2 -61.9 152.9 21.8 -22.9 -9.8 250 1142 A C H 3> S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.905 113.9 50.7 -53.4 -49.6 24.1 -23.5 -6.8 251 1143 A E H 3> S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.743 108.5 51.7 -68.1 -27.4 25.7 -20.0 -6.9 252 1144 A V H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.882 110.3 49.0 -72.8 -40.8 22.2 -18.3 -6.9 253 1145 A Y H X S+ 0 0 39 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.852 108.0 55.4 -63.3 -35.7 21.3 -20.4 -3.8 254 1146 A H H X S+ 0 0 86 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.893 104.1 53.7 -61.3 -41.2 24.6 -19.4 -2.3 255 1147 A L H X S+ 0 0 7 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.947 110.6 46.8 -57.1 -50.8 23.6 -15.7 -2.8 256 1148 A M H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.882 111.1 50.8 -55.7 -47.5 20.3 -16.4 -0.9 257 1149 A K H < S+ 0 0 75 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.842 104.4 58.1 -63.9 -35.3 22.1 -18.2 1.9 258 1150 A N H >< S+ 0 0 93 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.892 104.3 51.9 -59.9 -40.9 24.5 -15.3 2.2 259 1151 A C H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.700 108.2 53.7 -66.7 -22.0 21.5 -13.0 2.9 260 1152 A W T 3< S+ 0 0 4 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.093 72.7 139.5-100.8 21.1 20.4 -15.5 5.6 261 1153 A E < - 0 0 85 -3,-1.3 6,-0.1 1,-0.1 5,-0.1 -0.464 56.6-131.6 -61.3 135.8 23.6 -15.5 7.6 262 1154 A T S S+ 0 0 43 -2,-0.1 2,-0.7 -26,-0.1 -78,-0.2 0.894 92.4 72.4 -60.4 -43.1 22.6 -15.5 11.3 263 1155 A E S > S- 0 0 115 1,-0.2 3,-1.8 2,-0.0 4,-0.5 -0.677 76.5-151.6 -78.0 111.7 25.0 -12.7 12.2 264 1156 A A G > S+ 0 0 8 -2,-0.7 3,-1.3 1,-0.3 -1,-0.2 0.846 90.1 57.1 -53.6 -43.2 23.5 -9.5 10.7 265 1157 A S G 3 S+ 0 0 91 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.638 102.8 55.6 -67.3 -14.8 26.8 -7.7 10.2 266 1158 A F G < S+ 0 0 157 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.490 85.6 98.4 -97.1 -6.7 28.3 -10.5 8.1 267 1159 A R S < S- 0 0 11 -3,-1.3 -8,-0.2 -4,-0.5 -9,-0.1 -0.407 86.5 -94.3 -73.7 155.8 25.5 -10.5 5.5 268 1160 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.378 35.2-124.6 -67.3 153.1 26.0 -8.6 2.3 269 1161 A T > - 0 0 71 1,-0.1 4,-1.7 -3,-0.1 -144,-0.1 -0.524 27.3-108.6 -82.9 163.6 24.8 -5.0 1.9 270 1162 A F H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -145,-0.2 0.887 122.9 56.7 -63.3 -36.2 22.4 -4.1 -0.9 271 1163 A E H 4 S+ 0 0 119 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.895 107.8 47.9 -57.5 -42.3 25.4 -2.2 -2.5 272 1164 A N H > S+ 0 0 89 1,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.846 108.6 55.9 -63.7 -35.9 27.3 -5.5 -2.4 273 1165 A L H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.787 93.6 68.3 -72.3 -29.9 24.4 -7.4 -3.9 274 1166 A I H X S+ 0 0 19 -4,-1.5 4,-2.4 1,-0.2 5,-0.2 0.943 101.6 42.1 -59.1 -57.0 24.0 -5.2 -7.1 275 1167 A P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.887 115.5 51.2 -60.1 -37.8 27.3 -6.2 -8.9 276 1168 A I H X S+ 0 0 81 -4,-0.9 4,-2.2 2,-0.2 5,-0.2 0.930 111.9 46.1 -62.8 -46.3 26.9 -9.9 -8.0 277 1169 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.880 110.4 53.9 -66.0 -37.6 23.3 -10.0 -9.3 278 1170 A K H X S+ 0 0 102 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.923 109.9 48.8 -56.4 -46.9 24.4 -8.1 -12.5 279 1171 A T H X S+ 0 0 96 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.912 113.8 43.3 -62.1 -48.3 27.1 -10.7 -13.1 280 1172 A V H X S+ 0 0 17 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.858 113.1 54.2 -69.6 -35.5 24.8 -13.7 -12.6 281 1173 A H H X S+ 0 0 28 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.947 111.7 43.1 -58.3 -51.7 22.1 -12.0 -14.7 282 1174 A E H >< S+ 0 0 96 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.860 112.6 55.6 -66.0 -36.3 24.4 -11.5 -17.6 283 1175 A K H 3< S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.925 108.6 46.1 -56.6 -49.4 25.8 -15.0 -17.2 284 1176 A Y H 3< S+ 0 0 77 -4,-2.2 2,-0.5 -5,-0.1 -173,-0.4 0.402 89.7 91.6 -88.9 2.5 22.3 -16.7 -17.4 285 1177 A R << 0 0 129 -4,-0.6 -4,-0.0 -3,-0.6 0, 0.0 -0.887 360.0 360.0 -92.3 125.7 21.1 -14.8 -20.5 286 1178 A H 0 0 210 -2,-0.5 -175,-0.0 0, 0.0 0, 0.0 -0.302 360.0 360.0 59.0 360.0 22.1 -16.9 -23.6