#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 -0.23 0.27 -1.43 2.03 -1.26 -4.93 116.55 111.00 2cka n ASP 2029Ca 0.00 0.18 0.18 0.00 0.52 0.00 0.00 54.79 55.67 2cka n ASP 2029Cb 0.00 0.40 0.78 0.00 -0.72 0.00 0.00 41.12 41.58 2cka n ASP 2029CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2cka h VAL 2030N 0.00 0.00 -0.42 5.18 -1.51 -2.02 -3.46 116.25 114.03 2cka h VAL 2030Ca 0.00 -0.35 -0.18 0.00 -1.23 0.00 0.00 66.70 64.94 2cka h VAL 2030Cb 0.00 1.31 -0.07 0.00 -2.13 0.00 0.00 31.29 30.40 2cka h VAL 2030CO 0.00 0.00 -0.16 -0.67 -1.23 0.00 0.00 177.57 175.51 2cka n ASP 2031N -2.97 -5.62 0.00 4.19 2.03 -1.26 -1.82 116.55 111.11 2cka n ASP 2031Ca -0.00 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2cka n ASP 2031Cb 0.24 -3.89 0.00 0.00 -0.72 0.00 0.00 41.12 36.75 2cka n ASP 2031CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2cka n LEU 2032N -0.99 0.52 0.02 -2.67 4.77 -1.26 -4.81 117.00 112.57 2cka n LEU 2032Ca -0.09 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.00 2cka n LEU 2032Cb 0.55 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 2cka n LEU 2032CO 0.13 -0.28 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.04 2cka n GLU 2033N -1.92 0.43 -1.97 3.23 -0.58 -0.75 -1.03 120.64 118.04 2cka n GLU 2033Ca 0.00 -0.05 -0.41 0.00 -0.42 0.00 0.00 57.16 56.28 2cka n GLU 2033Cb 0.02 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.28 2cka n GLU 2033CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2cka s THR 2034N -3.31 2.48 -0.21 2.62 2.01 -1.00 -4.66 115.64 113.58 2cka s THR 2034Ca -0.00 0.44 -0.27 0.00 0.31 0.00 0.00 61.69 62.17 2cka s THR 2034Cb 0.14 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 69.36 2cka s THR 2034CO 0.84 0.09 0.93 -0.13 -0.69 0.00 0.00 174.62 175.66 2cka s ARG 2035N -1.08 4.26 -0.27 4.92 1.81 -1.26 -0.90 118.95 126.44 2cka s ARG 2035Ca 0.56 1.17 -0.17 0.00 -1.72 0.00 0.00 55.73 55.57 2cka s ARG 2035Cb -0.43 -3.62 -0.03 0.00 -0.45 0.00 0.00 34.95 30.43 2cka s ARG 2035CO 0.50 -0.50 0.46 0.42 -0.68 0.00 0.00 175.30 175.51 2cka s ILE 2036N 2.74 5.10 -0.02 1.52 -1.09 0.28 -4.75 121.20 124.98 2cka s ILE 2036Ca 0.41 0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 59.27 2cka s ILE 2036Cb -0.16 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.85 2cka s ILE 2036CO 0.09 0.10 2.01 -2.65 -1.23 0.00 0.00 174.94 173.26 2cka n PRO 2037N 5.47 2.66 -4.67 2.79 -0.02 -1.26 -3.93 135.00 136.05 2cka n PRO 2037Ca -0.06 0.94 -0.32 0.00 -2.02 0.00 0.00 63.50 62.05 2cka n PRO 2037Cb 0.50 -3.01 -0.12 0.00 -0.02 0.00 0.00 33.50 30.85 2cka n PRO 2037CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2cka s VAL 2038N 5.08 3.24 0.01 -1.45 -7.23 -0.83 -0.49 120.40 118.73 2cka s VAL 2038Ca 0.91 -0.83 0.06 0.00 -1.81 0.00 0.00 61.98 60.31 2cka s VAL 2038Cb -0.45 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 2cka s VAL 2038CO 0.42 0.46 -0.18 -0.51 -0.31 0.00 0.00 175.10 174.98 2cka s ILE 2039N -0.88 2.76 0.27 -0.62 2.07 0.17 -0.28 121.20 124.71 2cka s ILE 2039Ca 0.14 -1.05 -0.30 0.00 -1.41 0.00 0.00 60.65 58.04 2cka s ILE 2039Cb -0.11 -2.12 -0.10 0.00 0.13 0.00 0.00 42.46 40.26 2cka s ILE 2039CO 0.04 0.44 1.42 0.21 -1.91 0.00 0.00 174.94 175.14 2cka s ASN 2040N -1.14 6.65 0.30 4.50 3.04 -0.26 -0.33 114.94 127.71 2cka s ASN 2040Ca 0.13 2.70 0.01 0.00 0.04 0.00 0.00 52.86 55.74 2cka s ASN 2040Cb -0.10 -2.63 0.46 0.00 -1.54 0.00 0.00 41.25 37.43 2cka s ASN 2040CO 0.03 -0.68 1.83 0.11 -3.04 0.00 0.00 177.10 175.35 2cka h LYS 2041N 4.56 0.72 0.54 0.43 6.56 -1.12 -3.01 116.57 125.25 2cka h LYS 2041Ca -0.47 -0.15 -0.03 0.00 -1.06 0.00 0.00 60.65 58.94 2cka h LYS 2041Cb 1.22 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.78 2cka h LYS 2041CO 0.74 0.69 -0.26 0.28 -2.06 0.00 0.00 179.45 178.84 2cka h VAL 2042N 0.69 0.00 0.00 0.50 2.07 -1.91 -3.44 116.25 114.15 2cka h VAL 2042Ca 0.15 -0.41 -0.21 0.00 0.82 0.00 0.00 66.70 67.05 2cka h VAL 2042Cb 0.33 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.96 2cka h VAL 2042CO 0.01 0.00 -0.42 -0.67 0.02 0.00 0.00 177.57 176.50 2cka n ASP 2043N -5.11 -2.59 -0.83 0.57 2.03 -1.24 -5.04 116.55 104.34 2cka n ASP 2043Ca -0.09 -3.21 -0.08 0.00 0.52 0.00 0.00 54.79 51.93 2cka n ASP 2043Cb 0.29 1.74 -0.01 0.00 -0.72 0.00 0.00 41.12 42.41 2cka n ASP 2043CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cka n GLY 2044N 1.32 0.33 3.57 0.27 0.00 -1.14 -4.83 105.19 104.71 2cka n GLY 2044Ca 0.07 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2cka n GLY 2044CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cka s THR 2045N -2.37 3.67 -0.28 2.61 2.01 -1.26 -4.70 115.64 115.33 2cka s THR 2045Ca 0.00 0.55 -0.13 0.00 0.31 0.00 0.00 61.69 62.41 2cka s THR 2045Cb 0.00 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2cka s THR 2045CO 0.00 -1.11 0.29 -0.22 -0.69 0.00 0.00 174.62 172.89 2cka s LEU 2046N 6.67 4.05 -0.19 4.42 2.96 -1.25 -1.10 118.68 134.22 2cka s LEU 2046Ca 0.56 0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 54.53 2cka s LEU 2046Cb -0.12 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 2cka s LEU 2046CO 0.24 -0.13 0.09 -0.76 -1.32 0.00 0.00 176.35 174.47 2cka s LEU 2047N 1.94 3.93 0.29 -0.68 1.43 0.61 -4.94 118.68 121.26 2cka s LEU 2047Ca 0.11 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2cka s LEU 2047Cb -0.16 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 44.00 2cka s LEU 2047CO 0.10 0.16 0.06 0.68 0.23 0.00 0.00 176.35 177.58 2cka s VAL 2048N 0.48 0.97 0.00 -1.59 -7.23 -1.26 -1.96 120.40 109.81 2cka s VAL 2048Ca 0.05 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2cka s VAL 2048Cb -0.12 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.16 2cka s VAL 2048CO 0.00 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 2cka n GLY 2049N -0.57 2.07 0.05 2.32 0.00 -1.26 -2.22 105.19 105.59 2cka n GLY 2049Ca -0.02 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 13.16 0.16 0.09 1.61 -0.58 -1.26 -2.32 120.64 131.50 2cka n GLU 2050Ca 0.00 0.11 -0.04 0.00 -0.42 0.00 0.00 57.16 56.80 2cka n GLU 2050Cb 0.00 -1.66 0.15 0.00 -0.57 0.00 0.00 31.44 29.36 2cka n GLU 2050CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2cka h ASP 2051N 0.00 0.26 -3.69 1.62 3.32 -1.82 -3.43 116.42 112.68 2cka h ASP 2051Ca 0.00 -0.14 -0.50 0.00 0.02 0.00 0.00 57.03 56.42 2cka h ASP 2051Cb 0.64 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 2cka h ASP 2051CO 0.00 0.75 0.13 0.00 -1.72 0.00 0.00 179.24 178.40 2cka s ALA 2052N -3.87 3.34 0.53 3.45 0.00 -0.98 -4.74 121.76 119.49 2cka s ALA 2052Ca -0.04 0.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 2cka s ALA 2052Cb 0.12 -2.83 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 2cka s ALA 2052CO 0.79 0.31 1.02 -1.25 0.00 0.00 0.00 175.76 176.63 2cka s PRO 2053N -2.54 3.71 0.29 0.00 0.04 -1.25 -4.67 135.00 130.57 2cka s PRO 2053Ca 0.50 1.12 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 2cka s PRO 2053Cb -0.13 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2cka s PRO 2053CO 0.19 -0.48 1.29 0.50 0.04 0.00 0.00 177.00 178.53 2cka s ARG 2054N -3.89 4.40 0.28 4.56 3.52 -1.26 -0.56 118.95 126.00 2cka s ARG 2054Ca 0.62 2.12 0.02 0.00 -0.13 0.00 0.00 55.73 58.36 2cka s ARG 2054Cb -0.13 -3.12 0.63 0.00 -1.56 0.00 0.00 34.95 30.77 2cka s ARG 2054CO 0.31 -0.16 1.74 0.00 -0.81 0.00 0.00 175.30 176.38 2cka h ARG 2055N 4.05 0.54 -0.75 5.12 2.47 -0.64 0.26 114.38 125.42 2cka h ARG 2055Ca -0.47 -0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.32 2cka h ARG 2055Cb 1.22 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 29.37 2cka h ARG 2055CO 0.69 0.36 0.50 0.00 0.56 0.00 0.00 179.97 182.08 2cka h ALA 2056N 1.62 1.85 0.00 0.04 0.00 -1.38 -2.34 119.26 119.05 2cka h ALA 2056Ca 0.51 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.21 2cka h ALA 2056Cb 0.83 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2cka h ALA 2056CO -0.43 -0.01 -1.57 0.39 0.00 0.00 0.00 179.25 177.63 2cka n GLU 2057N -4.50 0.63 -0.30 0.00 -0.58 0.25 -4.35 120.64 111.79 2cka n GLU 2057Ca 0.13 0.21 0.12 0.00 -0.42 0.00 0.00 57.16 57.20 2cka n GLU 2057Cb 0.36 -1.77 0.29 0.00 -0.57 0.00 0.00 31.44 29.74 2cka n GLU 2057CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2cka h LEU 2058N 0.00 0.23 0.40 -4.62 7.12 -0.04 -0.39 115.31 118.00 2cka h LEU 2058Ca -0.21 0.16 -0.02 0.00 0.13 0.00 0.00 57.88 57.94 2cka h LEU 2058Cb 1.71 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 42.01 2cka h LEU 2058CO 0.05 -0.03 -0.19 1.05 -0.13 0.00 0.00 178.44 179.19 2cka h GLU 2059N 0.35 -0.51 -0.03 1.25 4.11 -1.76 0.04 114.58 118.03 2cka h GLU 2059Ca 0.54 0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.94 2cka h GLU 2059Cb 1.02 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2cka h GLU 2059CO -0.55 -0.25 -0.29 1.98 0.07 0.00 0.00 179.01 179.97 2cka h MET 2060N -0.70 0.05 -0.30 1.06 4.05 -1.73 -1.23 114.93 116.13 2cka h MET 2060Ca -0.05 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 2cka h MET 2060Cb 0.50 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 2cka h MET 2060CO 0.09 0.33 0.10 2.35 0.23 0.00 0.00 176.91 180.01 2cka h TRP 2061N 0.04 0.47 -0.26 1.39 7.01 -0.86 -1.78 115.95 121.97 2cka h TRP 2061Ca 0.01 -0.04 -0.12 0.00 2.11 0.00 0.00 58.89 60.84 2cka h TRP 2061Cb 0.53 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 2cka h TRP 2061CO 0.00 0.48 -0.36 -0.07 -2.79 0.00 0.00 178.44 175.70 2cka h LEU 2062N 0.32 0.60 -1.56 0.65 3.38 -0.43 -2.99 115.31 115.28 2cka h LEU 2062Ca 0.10 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2cka h LEU 2062Cb 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2cka h LEU 2062CO -0.00 0.91 -0.23 1.56 0.09 0.00 0.00 178.44 180.76 2cka h GLN 2063N 0.48 0.00 -0.00 1.13 1.08 -0.98 -0.60 115.11 116.22 2cka h GLN 2063Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2cka h GLN 2063Cb 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 2cka h GLN 2063CO 0.07 0.23 -0.02 0.41 -0.95 0.00 0.00 178.83 178.57 2cka n GLY 2064N -0.74 -1.01 2.97 3.46 0.00 -0.69 -4.98 105.19 104.19 2cka n GLY 2064Ca -0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.00 -3.35 1.43 1.61 8.25 -0.23 -4.93 115.22 116.99 2cka n HIS 2065Ca 0.19 1.36 0.14 0.00 -0.26 0.00 0.00 57.72 59.15 2cka n HIS 2065Cb 0.20 -3.66 0.48 0.00 1.12 0.00 0.00 29.99 28.13 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 -0.23 1.54 -2.44 -0.41 -0.04 -1.26 -4.92 135.00 127.25 2cka n PRO 2066Ca 0.08 -0.92 -0.11 0.00 -0.04 0.00 0.00 63.50 62.51 2cka n PRO 2066Cb 0.48 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2cka n PRO 2066CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2cka n GLU 2067N 0.07 -1.71 -4.25 0.54 -0.58 -1.26 -5.01 120.64 108.44 2cka n GLU 2067Ca 0.18 0.48 -0.20 0.00 -0.42 0.00 0.00 57.16 57.19 2cka n GLU 2067Cb 0.36 -4.47 -0.12 0.00 -0.57 0.00 0.00 31.44 26.64 2cka n GLU 2067CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2cka s PHE 2068N -2.70 1.34 0.23 -0.32 0.40 -1.26 -0.47 117.98 115.19 2cka s PHE 2068Ca 0.08 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2cka s PHE 2068Cb -0.04 -0.76 -0.05 0.00 0.51 0.00 0.00 43.02 42.69 2cka s PHE 2068CO 0.10 0.08 0.11 0.00 0.70 0.00 0.00 175.22 176.21 2cka s ALA 2069N -1.13 1.45 0.25 5.36 0.00 0.56 -4.88 121.76 123.36 2cka s ALA 2069Ca 0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 2cka s ALA 2069Cb -0.09 1.18 -0.10 0.00 0.00 0.00 0.00 23.12 24.11 2cka s ALA 2069CO 0.02 -0.51 1.35 0.08 0.00 0.00 0.00 175.76 176.71 2cka s VAL 2070N -3.94 2.89 0.08 0.00 1.01 -1.26 0.46 120.40 119.65 2cka s VAL 2070Ca 0.38 0.78 -0.32 0.00 0.00 0.00 0.00 61.98 62.81 2cka s VAL 2070Cb 0.07 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 2cka s VAL 2070CO 0.12 0.14 1.81 -0.67 0.00 0.00 0.00 175.10 176.50 2cka n ASP 2071N 2.07 3.77 0.26 3.32 2.03 0.36 -4.67 116.55 123.69 2cka n ASP 2071Ca 0.05 1.00 0.12 0.00 0.52 0.00 0.00 54.79 56.48 2cka n ASP 2071Cb 0.42 -1.49 0.74 0.00 -0.72 0.00 0.00 41.12 40.06 2cka n ASP 2071CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2cka h PRO 2072N 8.32 0.00 -0.12 -0.67 0.13 -1.91 -0.85 132.00 136.89 2cka h PRO 2072Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 2cka h PRO 2072Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2cka h PRO 2072CO 0.94 0.11 -0.68 -0.09 -0.23 0.00 0.00 178.00 178.04 2cka h ARG 2073N 0.00 0.52 -0.29 0.86 2.43 -1.98 0.90 114.38 116.82 2cka h ARG 2073Ca -0.00 -0.39 -0.12 0.00 -0.81 0.00 0.00 59.98 58.66 2cka h ARG 2073Cb 0.28 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2cka h ARG 2073CO 0.01 1.01 -0.32 0.35 -1.51 0.00 0.00 179.97 179.52 2cka h PHE 2074N 0.37 0.72 -0.63 2.20 3.57 -1.58 0.29 116.94 121.88 2cka h PHE 2074Ca -0.02 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 2cka h PHE 2074Cb 1.26 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 2cka h PHE 2074CO 0.05 0.87 0.24 -0.07 -2.23 0.00 0.00 178.31 177.17 2cka h LEU 2075N 0.53 0.87 -0.92 0.59 3.38 -1.07 -0.96 115.31 117.73 2cka h LEU 2075Ca 0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2cka h LEU 2075Cb 0.81 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2cka h LEU 2075CO 0.07 0.81 0.24 0.00 0.09 0.00 0.00 178.44 179.65 2cka h ALA 2076N 1.09 1.14 -0.98 1.53 0.00 -0.35 -2.14 119.26 119.54 2cka h ALA 2076Ca 0.21 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2cka h ALA 2076Cb 0.22 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2cka h ALA 2076CO -0.02 0.61 0.65 -0.92 0.00 0.00 0.00 179.25 179.57 2cka h TYR 2077N 1.00 1.22 -0.86 0.00 3.20 0.04 0.50 116.97 122.07 2cka h TYR 2077Ca 0.23 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2cka h TYR 2077Cb 0.24 -0.41 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 2cka h TYR 2077CO 0.02 0.73 0.46 1.98 -1.64 0.00 0.00 178.16 179.71 2cka h MET 2078N 1.28 1.20 0.02 1.82 4.05 -0.55 -1.83 114.93 120.92 2cka h MET 2078Ca 0.38 -0.14 -0.23 0.00 -0.28 0.00 0.00 59.70 59.42 2cka h MET 2078Cb -0.06 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.51 2cka h MET 2078CO -0.10 0.88 -0.99 0.93 0.23 0.00 0.00 176.91 177.86 2cka h GLU 2079N 1.20 0.39 -0.63 0.39 5.08 -0.97 -3.27 114.58 116.78 2cka h GLU 2079Ca 0.30 -0.45 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2cka h GLU 2079Cb 0.04 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2cka h GLU 2079CO -0.05 1.12 0.41 0.22 -1.00 0.00 0.00 179.01 179.72 2cka h ASP 2080N 0.20 0.60 0.56 1.42 3.58 0.47 -0.39 116.42 122.87 2cka h ASP 2080Ca -0.09 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2cka h ASP 2080Cb 1.64 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.56 2cka h ASP 2080CO 0.17 0.40 0.00 0.54 -2.88 0.00 0.00 179.24 177.47 2cka n ARG 2081N -4.47 0.20 -2.83 0.28 1.74 -0.73 -4.34 116.66 106.50 2cka n ARG 2081Ca 0.08 0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 2cka n ARG 2081Cb 0.17 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 2cka n ARG 2081CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2cka s ARG 2082N -2.74 3.74 0.07 5.56 6.06 -0.16 -4.70 118.95 126.79 2cka s ARG 2082Ca 0.18 -1.84 0.00 0.00 -2.50 0.00 0.00 55.73 51.56 2cka s ARG 2082Cb 0.15 -5.09 0.00 0.00 0.06 0.00 0.00 34.95 30.07 2cka s ARG 2082CO 0.37 -1.90 0.00 1.63 -2.50 0.00 0.00 175.30 172.91 2cka n LYS 2083N 6.95 -2.14 -0.07 5.12 5.02 -1.26 -4.91 118.16 126.86 2cka n LYS 2083Ca 0.31 1.83 -0.13 0.00 -2.02 0.00 0.00 58.31 58.30 2cka n LYS 2083Cb 0.48 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 2cka n LYS 2083CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2cka h GLN 2084N 1.66 0.49 -0.01 1.97 1.08 -1.84 -3.48 115.11 114.99 2cka h GLN 2084Ca 0.00 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2cka h GLN 2084Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2cka h GLN 2084CO 0.00 0.82 0.00 1.17 -0.95 0.00 0.00 178.83 179.87