#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cka n ASP 2029N 0.00 -1.69 -3.86 -1.43 8.00 -1.26 -4.59 116.55 111.72 2cka n ASP 2029Ca 0.00 0.66 -0.26 0.00 0.71 0.00 0.00 54.79 55.90 2cka n ASP 2029Cb 0.00 1.73 -0.17 0.00 -0.02 0.00 0.00 41.12 42.66 2cka n ASP 2029CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2cka s VAL 2030N -2.00 0.83 -0.39 2.53 0.11 -1.26 -5.00 120.40 115.23 2cka s VAL 2030Ca 0.00 -0.22 0.09 0.00 -2.93 0.00 0.00 61.98 58.91 2cka s VAL 2030Cb 0.00 -0.93 0.61 0.00 -1.53 0.00 0.00 36.38 34.53 2cka s VAL 2030CO 0.00 0.28 1.57 -0.90 -3.33 0.00 0.00 175.10 172.72 2cka n ASP 2031N 5.00 4.40 0.00 3.54 5.75 -1.26 -4.90 116.55 129.08 2cka n ASP 2031Ca -0.11 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 2cka n ASP 2031Cb 0.50 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 2cka n ASP 2031CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2cka n LEU 2032N 0.09 0.00 -0.10 -2.12 4.77 -1.26 -4.56 117.00 113.83 2cka n LEU 2032Ca 0.30 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 2cka n LEU 2032Cb 1.14 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.63 2cka n LEU 2032CO 0.33 0.00 0.65 -0.62 -1.33 0.00 0.00 177.39 176.42 2cka n GLU 2033N 0.00 0.39 -1.80 3.23 1.02 -1.26 -0.26 120.64 121.96 2cka n GLU 2033Ca 0.00 -0.20 -0.42 0.00 -0.02 0.00 0.00 57.16 56.53 2cka n GLU 2033Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 2cka n GLU 2033CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2cka s THR 2034N -2.74 2.18 -0.52 2.62 2.01 -1.26 -4.52 115.64 113.40 2cka s THR 2034Ca 0.19 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 2cka s THR 2034Cb 0.19 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.64 2cka s THR 2034CO 0.58 0.02 0.98 -0.13 -0.69 0.00 0.00 174.62 175.38 2cka s ARG 2035N 0.24 3.44 -0.16 4.92 3.00 -1.26 0.23 118.95 129.36 2cka s ARG 2035Ca 0.67 -0.02 -0.27 0.00 0.00 0.00 0.00 55.73 56.12 2cka s ARG 2035Cb -0.47 -4.00 -0.01 0.00 0.00 0.00 0.00 34.95 30.46 2cka s ARG 2035CO 0.40 -1.43 0.89 0.42 0.00 0.00 0.00 175.30 175.58 2cka s ILE 2036N 4.07 4.84 0.30 1.52 -1.09 -0.48 -4.79 121.20 125.57 2cka s ILE 2036Ca 0.35 1.76 -0.29 0.00 -2.23 0.00 0.00 60.65 60.24 2cka s ILE 2036Cb -0.11 -4.19 -0.10 0.00 -1.58 0.00 0.00 42.46 36.48 2cka s ILE 2036CO 0.23 0.01 1.37 -2.16 -1.23 0.00 0.00 174.94 173.16 2cka s PRO 2037N 2.18 4.30 0.19 2.79 0.04 -1.26 -3.74 135.00 139.49 2cka s PRO 2037Ca 0.41 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.77 2cka s PRO 2037Cb -0.17 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 2cka s PRO 2037CO 0.13 -0.31 -0.07 0.14 0.04 0.00 0.00 177.00 176.93 2cka s VAL 2038N -0.66 1.20 -0.01 -0.36 -7.23 -0.61 -0.45 120.40 112.28 2cka s VAL 2038Ca 0.53 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2cka s VAL 2038Cb -0.41 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.47 2cka s VAL 2038CO 0.50 -0.57 -0.04 -0.51 -0.31 0.00 0.00 175.10 174.17 2cka s ILE 2039N -3.31 0.34 -0.30 -0.62 2.07 0.12 0.07 121.20 119.56 2cka s ILE 2039Ca 0.22 -0.15 -0.28 0.00 -1.41 0.00 0.00 60.65 59.03 2cka s ILE 2039Cb 0.03 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.32 2cka s ILE 2039CO 0.04 0.11 1.02 0.21 -1.91 0.00 0.00 174.94 174.42 2cka s ASN 2040N 0.13 6.91 0.31 4.50 3.84 0.11 -0.86 114.94 129.88 2cka s ASN 2040Ca -0.01 1.04 0.12 0.00 0.21 0.00 0.00 52.86 54.22 2cka s ASN 2040Cb -0.04 -2.52 0.49 0.00 -0.55 0.00 0.00 41.25 38.63 2cka s ASN 2040CO -0.00 -0.80 1.68 0.11 -2.79 0.00 0.00 177.10 175.30 2cka h LYS 2041N 7.98 0.00 0.08 0.43 1.57 -0.81 0.26 116.57 126.10 2cka h LYS 2041Ca -0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2cka h LYS 2041Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2cka h LYS 2041CO 1.00 0.53 -0.04 0.28 -0.57 0.00 0.00 179.45 180.65 2cka h VAL 2042N 0.00 0.93 0.00 0.50 2.07 -1.91 -3.39 116.25 114.45 2cka h VAL 2042Ca -0.01 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 2cka h VAL 2042Cb 0.95 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2cka h VAL 2042CO 0.07 0.28 -0.20 -0.78 0.02 0.00 0.00 177.57 176.96 2cka h ASP 2043N -0.92 0.00 0.00 0.57 3.58 -1.90 -3.48 116.42 114.26 2cka h ASP 2043Ca -0.01 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2cka h ASP 2043Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2cka h ASP 2043CO 0.02 0.86 0.00 0.61 -2.88 0.00 0.00 179.24 177.85 2cka n GLY 2044N 1.65 1.10 3.69 -0.78 0.00 0.92 -5.05 105.19 106.72 2cka n GLY 2044Ca -0.09 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.43 2cka n GLY 2044CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cka n THR 2045N 0.00 0.52 -4.08 2.61 -1.04 -1.23 -4.62 114.28 106.43 2cka n THR 2045Ca 0.00 -0.09 -0.35 0.00 -2.04 0.00 0.00 64.05 61.57 2cka n THR 2045Cb 0.00 -1.74 -0.12 0.00 -1.82 0.00 0.00 70.33 66.65 2cka n THR 2045CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2cka s LEU 2046N 3.91 3.37 -0.20 -4.42 2.96 -1.26 0.08 118.68 123.13 2cka s LEU 2046Ca 0.94 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.66 2cka s LEU 2046Cb -0.77 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 2cka s LEU 2046CO 0.54 0.09 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.88 2cka s LEU 2047N 0.87 3.17 0.33 -0.68 1.43 0.11 -4.99 118.68 118.92 2cka s LEU 2047Ca 0.01 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2cka s LEU 2047Cb -0.14 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2cka s LEU 2047CO 0.02 0.06 0.17 0.68 0.23 0.00 0.00 176.35 177.51 2cka s VAL 2048N 1.00 0.36 0.00 -1.59 -7.23 -1.26 -1.58 120.40 110.10 2cka s VAL 2048Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2cka s VAL 2048Cb -0.14 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2cka s VAL 2048CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 2cka n GLY 2049N -0.65 3.93 0.56 2.32 0.00 -1.26 -1.39 105.19 108.69 2cka n GLY 2049Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.16 2cka n GLY 2049CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cka n GLU 2050N 13.58 1.37 0.08 1.61 -0.58 -1.26 -3.98 120.64 131.47 2cka n GLU 2050Ca 0.00 -1.12 -0.00 0.00 -0.42 0.00 0.00 57.16 55.62 2cka n GLU 2050Cb 0.00 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.35 2cka n GLU 2050CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2cka h ASP 2051N 2.73 0.00 -4.08 1.62 3.58 -1.60 -3.45 116.42 115.21 2cka h ASP 2051Ca 0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 2cka h ASP 2051Cb 0.78 0.00 0.04 0.00 1.72 0.00 0.00 39.33 41.86 2cka h ASP 2051CO 0.00 0.61 0.39 0.00 -2.88 0.00 0.00 179.24 177.37 2cka s ALA 2052N -2.90 2.83 0.21 -0.78 0.00 -0.98 -4.75 121.76 115.38 2cka s ALA 2052Ca 0.01 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 2cka s ALA 2052Cb 0.08 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 2cka s ALA 2052CO 0.78 -0.43 1.13 -2.14 0.00 0.00 0.00 175.76 175.11 2cka s PRO 2053N -3.30 4.57 0.17 0.00 0.02 -1.25 -4.72 135.00 130.49 2cka s PRO 2053Ca 0.68 1.80 -0.33 0.00 0.02 0.00 0.00 61.00 63.16 2cka s PRO 2053Cb -0.18 -3.24 -0.14 0.00 0.02 0.00 0.00 34.50 30.97 2cka s PRO 2053CO 0.22 0.05 1.58 -2.13 -0.33 0.00 0.00 177.00 176.39 2cka n ARG 2054N 2.11 2.21 -0.26 5.54 0.63 -1.26 -1.38 116.66 124.26 2cka n ARG 2054Ca 0.02 0.80 0.07 0.00 -0.92 0.00 0.00 57.85 57.82 2cka n ARG 2054Cb 0.45 -2.57 0.20 0.00 0.45 0.00 0.00 32.46 31.00 2cka n ARG 2054CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2cka h ARG 2055N 5.86 0.24 -0.91 -0.14 9.65 0.11 0.46 114.38 129.65 2cka h ARG 2055Ca -0.45 -0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.52 2cka h ARG 2055Cb 1.25 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 29.71 2cka h ARG 2055CO 0.88 0.16 0.59 0.00 2.80 0.00 0.00 179.97 184.40 2cka h ALA 2056N 1.65 1.61 0.20 2.80 0.00 -0.91 -2.19 119.26 122.42 2cka h ALA 2056Ca 0.44 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.03 2cka h ALA 2056Cb 0.79 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.38 2cka h ALA 2056CO -0.55 0.20 -1.52 0.93 0.00 0.00 0.00 179.25 178.30 2cka h GLU 2057N 0.91 0.41 -0.63 0.00 4.39 -1.14 -3.38 114.58 115.14 2cka h GLU 2057Ca 0.42 -0.71 0.13 0.00 0.34 0.00 0.00 59.36 59.55 2cka h GLU 2057Cb 0.41 0.26 -0.12 0.00 -0.10 0.00 0.00 28.75 29.20 2cka h GLU 2057CO -0.19 1.34 -0.10 1.25 -1.16 0.00 0.00 179.01 180.16 2cka h LEU 2058N 0.01 -0.47 -1.01 1.33 7.12 0.41 0.27 115.31 122.97 2cka h LEU 2058Ca -0.29 0.18 -0.08 0.00 0.13 0.00 0.00 57.88 57.81 2cka h LEU 2058Cb 2.03 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 42.49 2cka h LEU 2058CO 0.19 -0.18 -0.16 -0.08 -0.13 0.00 0.00 178.44 178.08 2cka h GLU 2059N 0.04 0.52 -0.06 1.25 4.81 -1.67 0.18 114.58 119.66 2cka h GLU 2059Ca 0.32 -0.17 -0.23 0.00 -0.13 0.00 0.00 59.36 59.15 2cka h GLU 2059Cb 0.51 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.85 2cka h GLU 2059CO -0.61 0.67 -0.89 0.52 -0.73 0.00 0.00 179.01 177.96 2cka h MET 2060N 0.48 0.61 -0.33 1.92 2.86 -1.48 -3.26 114.93 115.73 2cka h MET 2060Ca 0.08 -0.58 -0.02 0.00 -2.06 0.00 0.00 59.70 57.12 2cka h MET 2060Cb 0.56 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2cka h MET 2060CO 0.04 1.20 0.15 2.35 1.06 0.00 0.00 176.91 181.70 2cka h TRP 2061N 0.38 0.49 -0.42 -0.22 7.01 0.25 -2.83 115.95 120.61 2cka h TRP 2061Ca -0.08 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.90 2cka h TRP 2061Cb 1.52 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.41 2cka h TRP 2061CO 0.08 0.44 0.28 -0.07 -2.79 0.00 0.00 178.44 176.38 2cka h LEU 2062N 0.39 0.46 -1.60 0.65 3.38 -0.74 -1.54 115.31 116.31 2cka h LEU 2062Ca 0.11 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2cka h LEU 2062Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2cka h LEU 2062CO -0.01 0.33 -0.22 1.56 0.09 0.00 0.00 178.44 180.19 2cka h GLN 2063N 0.55 0.00 -0.02 1.13 4.20 -1.54 -1.29 115.11 118.13 2cka h GLN 2063Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2cka h GLN 2063Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2cka h GLN 2063CO -0.04 0.22 -0.12 0.41 -0.67 0.00 0.00 178.83 178.64 2cka n GLY 2064N -0.62 0.54 2.39 3.46 0.00 -0.65 -4.61 105.19 105.70 2cka n GLY 2064Ca -0.02 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2cka n GLY 2064CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2cka n HIS 2065N 0.76 -0.08 0.36 1.61 8.25 -0.49 -4.95 115.22 120.67 2cka n HIS 2065Ca 0.14 -3.53 0.06 0.00 -0.26 0.00 0.00 57.72 54.12 2cka n HIS 2065Cb 0.52 -0.05 0.25 0.00 1.12 0.00 0.00 29.99 31.83 2cka n HIS 2065CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2cka n PRO 2066N 2.23 0.02 0.19 -0.41 -0.04 -1.21 -1.82 135.00 133.95 2cka n PRO 2066Ca 0.26 0.34 0.05 0.00 -0.04 0.00 0.00 63.50 64.11 2cka n PRO 2066Cb 0.48 -1.54 0.34 0.00 -0.04 0.00 0.00 33.50 32.74 2cka n PRO 2066CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2cka h GLU 2067N 0.00 0.00 -6.14 0.54 5.08 -1.92 -3.45 114.58 108.70 2cka h GLU 2067Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2cka h GLU 2067Cb 0.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 2cka h GLU 2067CO 0.00 0.39 -0.56 -0.06 -1.00 0.00 0.00 179.01 177.78 2cka s PHE 2068N -3.70 3.26 0.13 4.33 0.40 -0.76 -0.07 117.98 121.57 2cka s PHE 2068Ca -0.01 0.07 -0.06 0.00 -0.60 0.00 0.00 56.93 56.33 2cka s PHE 2068Cb 0.12 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 2cka s PHE 2068CO 0.69 0.53 0.18 0.00 0.70 0.00 0.00 175.22 177.32 2cka s ALA 2069N -1.59 0.20 0.49 5.36 0.00 -0.04 -4.91 121.76 121.27 2cka s ALA 2069Ca 0.31 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 51.09 2cka s ALA 2069Cb -0.11 0.71 -0.08 0.00 0.00 0.00 0.00 23.12 23.64 2cka s ALA 2069CO 0.24 -0.55 1.01 0.14 0.00 0.00 0.00 175.76 176.60 2cka s VAL 2070N -3.96 4.04 0.10 0.00 -7.23 -1.26 0.11 120.40 112.20 2cka s VAL 2070Ca 0.15 1.20 -0.31 0.00 -1.81 0.00 0.00 61.98 61.20 2cka s VAL 2070Cb 0.05 -3.51 -0.10 0.00 0.56 0.00 0.00 36.38 33.38 2cka s VAL 2070CO -0.03 -0.35 1.77 -0.62 -0.31 0.00 0.00 175.10 175.56 2cka s ASP 2071N -2.26 6.49 0.49 4.85 2.15 0.41 -4.66 116.67 124.13 2cka s ASP 2071Ca 0.64 2.66 0.32 0.00 0.43 0.00 0.00 52.55 56.61 2cka s ASP 2071Cb -0.14 -2.56 1.46 0.00 -0.30 0.00 0.00 42.92 41.38 2cka s ASP 2071CO 0.21 -0.96 1.97 -0.65 -0.17 0.00 0.00 175.17 175.57 2cka h PRO 2072N 8.51 0.00 0.03 4.34 0.11 -1.93 -2.04 132.00 141.02 2cka h PRO 2072Ca -0.45 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.40 2cka h PRO 2072Cb 1.21 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.34 2cka h PRO 2072CO 0.94 0.00 -1.06 0.00 -0.21 0.00 0.00 178.00 177.67 2cka h ARG 2073N 0.00 0.59 -0.70 1.05 3.08 -1.98 -0.06 114.38 116.36 2cka h ARG 2073Ca 0.00 -0.67 -0.06 0.00 0.07 0.00 0.00 59.98 59.32 2cka h ARG 2073Cb 0.34 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 2cka h ARG 2073CO 0.00 1.27 0.22 0.35 -1.07 0.00 0.00 179.97 180.74 2cka h PHE 2074N 0.32 1.13 -0.92 3.04 3.57 -1.81 -2.21 116.94 120.05 2cka h PHE 2074Ca -0.13 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.29 2cka h PHE 2074Cb 1.71 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 40.07 2cka h PHE 2074CO 0.09 0.90 0.61 -0.07 -2.23 0.00 0.00 178.31 177.61 2cka h LEU 2075N 1.03 1.02 -0.87 0.59 3.38 -1.16 0.13 115.31 119.43 2cka h LEU 2075Ca 0.23 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.22 2cka h LEU 2075Cb 0.30 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2cka h LEU 2075CO -0.01 0.71 0.56 0.00 0.09 0.00 0.00 178.44 179.80 2cka h ALA 2076N 1.45 1.16 -0.21 1.53 0.00 -0.41 0.40 119.26 123.18 2cka h ALA 2076Ca 0.36 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 2cka h ALA 2076Cb -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2cka h ALA 2076CO -0.10 0.40 -0.46 1.88 0.00 0.00 0.00 179.25 180.98 2cka h TYR 2077N 1.09 0.64 0.00 0.00 0.05 -0.88 -2.47 116.97 115.40 2cka h TYR 2077Ca 0.35 -0.20 -0.14 0.00 0.05 0.00 0.00 58.73 58.80 2cka h TYR 2077Cb 0.02 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 2cka h TYR 2077CO -0.02 0.89 -0.65 1.98 -1.05 0.00 0.00 178.16 179.32 2cka h MET 2078N 0.43 0.00 -0.00 4.88 4.05 0.56 0.23 114.93 125.07 2cka h MET 2078Ca 0.03 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.19 2cka h MET 2078Cb 0.96 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.78 2cka h MET 2078CO 0.09 0.65 -1.02 0.93 0.23 0.00 0.00 176.91 177.78 2cka h GLU 2079N 0.00 0.65 -0.16 0.39 5.08 -0.23 -3.28 114.58 117.03 2cka h GLU 2079Ca -0.01 -0.70 -0.08 0.00 -1.00 0.00 0.00 59.36 57.57 2cka h GLU 2079Cb 1.15 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 2cka h GLU 2079CO 0.08 1.29 -0.22 0.22 -1.00 0.00 0.00 179.01 179.38 2cka h ASP 2080N 0.37 0.47 -6.19 1.42 3.58 -1.35 -3.49 116.42 111.24 2cka h ASP 2080Ca -0.12 -0.51 -0.27 0.00 0.42 0.00 0.00 57.03 56.55 2cka h ASP 2080Cb 1.67 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 42.60 2cka h ASP 2080CO 0.20 0.89 -1.01 -1.14 -2.88 0.00 0.00 179.24 175.30 2cka n ARG 2081N -4.46 -2.05 -3.65 0.28 0.63 0.79 -5.03 116.66 103.18 2cka n ARG 2081Ca -0.06 1.63 -0.01 0.00 -0.92 0.00 0.00 57.85 58.48 2cka n ARG 2081Cb 0.42 -3.07 -0.04 0.00 0.45 0.00 0.00 32.46 30.21 2cka n ARG 2081CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2cka s ARG 2082N -2.46 0.58 0.04 -0.14 1.70 -1.26 -5.09 118.95 112.31 2cka s ARG 2082Ca 0.34 1.45 0.01 0.00 -0.47 0.00 0.00 55.73 57.06 2cka s ARG 2082Cb -0.05 0.87 -0.04 0.00 -0.57 0.00 0.00 34.95 35.16 2cka s ARG 2082CO 0.83 -0.20 0.14 -1.59 -1.08 0.00 0.00 175.30 173.40 2cka s LYS 2083N 2.89 3.19 -0.70 3.89 0.00 -1.26 -5.05 119.74 122.70 2cka s LYS 2083Ca -0.06 -0.51 0.04 0.00 0.00 0.00 0.00 55.97 55.44 2cka s LYS 2083Cb -0.12 -2.92 0.17 0.00 0.00 0.00 0.00 37.83 34.96 2cka s LYS 2083CO -0.19 0.61 0.49 -1.14 0.00 0.00 0.00 175.35 175.12 2cka s GLN 2084N -2.25 2.48 0.00 1.78 0.74 -1.26 -5.16 119.66 115.99 2cka s GLN 2084Ca 0.30 -3.26 0.00 0.00 0.05 0.00 0.00 55.36 52.45 2cka s GLN 2084Cb -0.12 -3.46 0.00 0.00 1.10 0.00 0.00 33.01 30.52 2cka s GLN 2084CO 0.22 -1.26 0.00 0.36 -0.55 0.00 0.00 175.29 174.06