#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kw2 s THR 2 N 0.00 4.50 0.61 2.03 -1.32 -1.26 -5.04 115.64 115.16 2kw2 s THR 2 Ca 0.00 1.86 -0.17 0.00 -1.21 0.00 0.00 61.69 62.17 2kw2 s THR 2 Cb 0.00 -4.19 -0.02 0.00 -1.51 0.00 0.00 72.50 66.78 2kw2 s THR 2 CO 0.00 0.18 1.11 -0.55 -2.21 0.00 0.00 174.62 173.15 2kw2 s SER 3 N 0.79 5.39 0.56 8.08 0.15 -1.26 -4.93 113.70 122.49 2kw2 s SER 3 Ca 0.53 2.03 0.24 0.00 0.70 0.00 0.00 55.95 59.46 2kw2 s SER 3 Cb -0.24 -2.56 1.51 0.00 -1.71 0.00 0.00 66.02 63.02 2kw2 s SER 3 CO 0.29 -1.44 2.11 0.74 1.20 0.00 0.00 173.24 176.15 2kw2 h THR 4 N 0.47 0.69 0.36 6.45 2.02 -1.96 -1.98 112.91 118.96 2kw2 h THR 4 Ca -0.48 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2kw2 h THR 4 Cb 1.25 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2kw2 h THR 4 CO 0.55 0.00 -0.17 0.15 0.37 0.00 0.00 175.52 176.42 2kw2 h PHE 5 N 0.00 -0.45 -0.98 3.16 3.57 -1.89 -2.08 116.94 118.27 2kw2 h PHE 5 Ca 0.09 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.61 2kw2 h PHE 5 Cb 0.40 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 2kw2 h PHE 5 CO 0.00 -0.25 0.64 -0.44 -2.23 0.00 0.00 178.31 176.03 2kw2 h ASP 6 N -0.53 1.07 -0.10 0.41 5.19 -1.74 0.14 116.42 120.85 2kw2 h ASP 6 Ca -0.05 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 2kw2 h ASP 6 Cb 0.40 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2kw2 h ASP 6 CO 0.08 0.73 -0.11 0.03 -3.12 0.00 0.00 179.24 176.85 2kw2 h ARG 7 N 1.23 0.26 -0.40 3.56 3.08 -1.46 -1.10 114.38 119.55 2kw2 h ARG 7 Ca 0.39 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.25 2kw2 h ARG 7 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2kw2 h ARG 7 CO -0.12 0.67 0.00 0.28 -1.07 0.00 0.00 179.97 179.73 2kw2 h VAL 8 N -0.15 1.22 -0.49 2.04 2.07 -1.19 -2.69 116.25 117.06 2kw2 h VAL 8 Ca 0.02 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.55 2kw2 h VAL 8 Cb 0.63 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2kw2 h VAL 8 CO 0.03 0.30 -0.13 0.00 0.02 0.00 0.00 177.57 177.80 2kw2 h ALA 9 N 1.40 0.85 -0.31 1.67 0.00 -0.63 -1.54 119.26 120.69 2kw2 h ALA 9 Ca 0.13 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2kw2 h ALA 9 Cb 0.38 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2kw2 h ALA 9 CO 0.01 0.65 -0.01 1.15 0.00 0.00 0.00 179.25 181.05 2kw2 h THR 10 N 0.82 0.76 0.07 0.00 2.02 -1.05 -0.12 112.91 115.41 2kw2 h THR 10 Ca 0.13 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.30 2kw2 h THR 10 Cb 0.66 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2kw2 h THR 10 CO 0.05 0.01 -0.15 0.40 0.37 0.00 0.00 175.52 176.20 2kw2 h ILE 11 N 0.08 0.65 -0.57 3.11 1.08 -1.11 -2.04 117.51 118.71 2kw2 h ILE 11 Ca 0.15 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.55 2kw2 h ILE 11 Cb 0.21 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 2kw2 h ILE 11 CO -0.26 0.00 0.07 0.40 -0.69 0.00 0.00 178.15 177.66 2kw2 h ILE 12 N -0.28 1.25 -0.06 -0.67 2.04 -1.25 -1.69 117.51 116.85 2kw2 h ILE 12 Ca 0.03 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 2kw2 h ILE 12 Cb 0.31 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2kw2 h ILE 12 CO -0.09 0.36 0.03 0.00 0.00 0.00 0.00 178.15 178.45 2kw2 h ALA 13 N 1.20 0.08 0.13 1.87 0.00 -0.78 -1.13 119.26 120.62 2kw2 h ALA 13 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kw2 h ALA 13 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kw2 h ALA 13 CO 0.01 -0.39 -0.06 0.93 0.00 0.00 0.00 179.25 179.74 2kw2 h GLU 14 N 0.01 -0.16 -0.28 0.00 4.39 -1.33 -1.12 114.58 116.09 2kw2 h GLU 14 Ca 0.02 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 2kw2 h GLU 14 Cb 0.07 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2kw2 h GLU 14 CO -0.00 0.30 -0.01 1.15 -1.16 0.00 0.00 179.01 179.29 2kw2 h THR 15 N -0.74 1.26 -0.35 1.13 2.02 -1.37 -3.11 112.91 111.76 2kw2 h THR 15 Ca -0.02 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2kw2 h THR 15 Cb 0.54 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2kw2 h THR 15 CO 0.03 0.30 0.00 0.00 0.37 0.00 0.00 175.52 176.22 2kw2 n ASP 17 N 1.12 -5.23 -4.67 0.00 9.92 -0.81 -4.99 116.55 111.90 2kw2 n ASP 17 Ca 0.18 0.14 -0.38 0.00 -0.53 0.00 0.00 54.79 54.20 2kw2 n ASP 17 Cb 0.51 -4.31 -0.08 0.00 -0.64 0.00 0.00 41.12 36.61 2kw2 n ASP 17 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2kw2 s ILE 18 N -2.83 5.20 0.29 0.53 1.01 -0.49 -5.00 121.20 119.92 2kw2 s ILE 18 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 2kw2 s ILE 18 Cb 0.00 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.64 2kw2 s ILE 18 CO 0.00 0.25 1.53 -2.16 0.00 0.00 0.00 174.94 174.56 2kw2 s PRO 19 N 1.36 4.16 0.52 2.79 0.04 -1.26 -4.27 135.00 138.35 2kw2 s PRO 19 Ca 0.18 2.50 0.17 0.00 0.04 0.00 0.00 61.00 63.89 2kw2 s PRO 19 Cb -0.15 -3.04 1.29 0.00 0.04 0.00 0.00 34.50 32.64 2kw2 s PRO 19 CO 0.08 -0.55 2.15 0.00 0.04 0.00 0.00 177.00 178.72 2kw2 h ARG 20 N 4.65 0.00 -0.04 4.56 2.47 -1.93 -1.95 114.38 122.14 2kw2 h ARG 20 Ca -0.47 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.20 2kw2 h ARG 20 Cb 1.22 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 2kw2 h ARG 20 CO 0.77 0.00 -0.19 1.05 0.56 0.00 0.00 179.97 182.16 2kw2 h GLU 21 N 0.00 0.07 -0.01 0.04 4.11 -2.02 -2.59 114.58 114.18 2kw2 h GLU 21 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2kw2 h GLU 21 Cb 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2kw2 h GLU 21 CO -0.00 0.26 -0.61 0.25 0.07 0.00 0.00 179.01 178.98 2kw2 n THR 22 N -4.29 0.00 -2.72 -1.06 -2.24 -0.76 -4.88 114.28 98.33 2kw2 n THR 22 Ca -0.02 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2kw2 n THR 22 Cb 0.27 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 2kw2 n THR 22 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2kw2 s ILE 23 N -2.76 4.77 0.20 2.28 1.01 -0.98 -5.04 121.20 120.68 2kw2 s ILE 23 Ca 0.15 1.96 0.09 0.00 0.00 0.00 0.00 60.65 62.84 2kw2 s ILE 23 Cb 0.18 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2kw2 s ILE 23 CO 0.69 -0.05 -0.18 0.42 0.00 0.00 0.00 174.94 175.81 2kw2 s THR 24 N 2.45 1.94 0.32 2.92 -4.23 -1.26 -4.97 115.64 112.82 2kw2 s THR 24 Ca 0.45 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 2kw2 s THR 24 Cb -0.17 -2.00 0.27 0.00 1.34 0.00 0.00 72.50 71.94 2kw2 s THR 24 CO 0.13 -0.40 1.98 -0.65 -0.54 0.00 0.00 174.62 175.14 2kw2 h PRO 25 N 2.87 0.96 -0.00 3.99 0.11 -1.97 -2.82 132.00 135.14 2kw2 h PRO 25 Ca -0.41 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kw2 h PRO 25 Cb 1.22 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2kw2 h PRO 25 CO 0.56 0.64 -0.00 -0.85 -0.21 0.00 0.00 178.00 178.13 2kw2 n GLU 26 N -4.43 0.28 -1.88 1.05 0.28 -1.26 -1.49 120.64 113.18 2kw2 n GLU 26 Ca 0.09 -0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.66 2kw2 n GLU 26 Cb 0.06 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.40 2kw2 n GLU 26 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kw2 s SER 27 N -2.73 6.58 -0.11 -1.84 0.15 -1.07 -4.79 113.70 109.89 2kw2 s SER 27 Ca 0.23 2.45 -0.24 0.00 0.70 0.00 0.00 55.95 59.10 2kw2 s SER 27 Cb 0.20 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 2kw2 s SER 27 CO 0.49 -0.95 0.73 -2.28 1.20 0.00 0.00 173.24 172.43 2kw2 s HIS 28 N 3.65 3.50 0.13 3.44 2.46 -1.26 -0.96 115.29 126.26 2kw2 s HIS 28 Ca 0.78 1.21 -0.26 0.00 0.47 0.00 0.00 55.06 57.26 2kw2 s HIS 28 Cb -0.38 -2.87 -0.03 0.00 -0.13 0.00 0.00 32.58 29.17 2kw2 s HIS 28 CO 0.34 -0.05 1.62 0.00 -2.47 0.00 0.00 174.74 174.18 2kw2 h ALA 29 N 7.03 -0.37 0.32 1.58 0.00 -1.56 0.10 119.26 126.36 2kw2 h ALA 29 Ca -0.36 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2kw2 h ALA 29 Cb 1.17 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2kw2 h ALA 29 CO 0.78 -0.79 -0.15 0.82 0.00 0.00 0.00 179.25 179.91 2kw2 h ILE 30 N -0.40 0.66 0.20 0.00 2.04 -1.78 0.10 117.51 118.33 2kw2 h ILE 30 Ca 0.08 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2kw2 h ILE 30 Cb 0.53 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2kw2 h ILE 30 CO -0.31 0.11 -0.10 -0.78 0.00 0.00 0.00 178.15 177.07 2kw2 h ASP 31 N -0.78 -0.23 0.15 1.72 3.58 -1.85 -2.97 116.42 116.04 2kw2 h ASP 31 Ca -0.04 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2kw2 h ASP 31 Cb 0.51 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2kw2 h ASP 31 CO 0.07 -0.08 -0.07 -0.78 -2.88 0.00 0.00 179.24 175.50 2kw2 h ASP 32 N -0.43 -0.17 1.12 2.28 1.82 -1.01 -3.28 116.42 116.75 2kw2 h ASP 32 Ca -0.03 -0.32 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 2kw2 h ASP 32 Cb 0.20 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.26 2kw2 h ASP 32 CO 0.04 0.41 0.00 0.18 -1.61 0.00 0.00 179.24 178.26 2kw2 n LEU 33 N -4.89 0.71 0.00 2.28 4.77 -0.72 -4.90 117.00 114.24 2kw2 n LEU 33 Ca -0.07 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2kw2 n LEU 33 Cb 0.24 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2kw2 n LEU 33 CO 0.21 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 2kw2 n GLY 34 N 0.73 0.55 3.49 -0.72 0.00 -0.79 -4.98 105.19 103.46 2kw2 n GLY 34 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2kw2 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kw2 s ILE 35 N -2.27 4.10 0.92 -0.61 1.01 0.29 -4.92 121.20 119.72 2kw2 s ILE 35 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2kw2 s ILE 35 Cb 0.00 -4.78 0.14 0.00 0.01 0.00 0.00 42.46 37.83 2kw2 s ILE 35 CO 0.00 -1.62 1.10 -0.62 0.00 0.00 0.00 174.94 173.80 2kw2 s ASP 36 N 3.73 3.11 0.40 3.58 -1.08 -1.26 -2.57 116.67 122.59 2kw2 s ASP 36 Ca 0.28 1.76 0.23 0.00 -0.52 0.00 0.00 52.55 54.30 2kw2 s ASP 36 Cb -0.13 -2.38 1.24 0.00 -1.46 0.00 0.00 42.92 40.20 2kw2 s ASP 36 CO 0.11 -2.91 1.67 -1.28 0.52 0.00 0.00 175.17 173.28 2kw2 h SER 37 N -1.73 0.00 0.10 -0.34 0.87 -1.98 -0.65 113.55 109.82 2kw2 h SER 37 Ca -0.48 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 59.87 2kw2 h SER 37 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2kw2 h SER 37 CO 0.49 0.00 -1.05 -0.07 -0.53 0.00 0.00 176.83 175.68 2kw2 h LEU 38 N 0.00 0.32 -1.03 2.23 3.38 -2.02 -3.31 115.31 114.89 2kw2 h LEU 38 Ca 0.00 -0.87 -0.10 0.00 0.09 0.00 0.00 57.88 57.00 2kw2 h LEU 38 Cb 0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2kw2 h LEU 38 CO 0.00 1.46 -0.42 -0.78 0.09 0.00 0.00 178.44 178.79 2kw2 h ASP 39 N -0.48 0.14 0.71 -0.43 3.58 -1.65 -2.68 116.42 115.61 2kw2 h ASP 39 Ca -0.22 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 2kw2 h ASP 39 Cb 1.59 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.60 2kw2 h ASP 39 CO 0.05 0.55 -0.03 0.15 -2.88 0.00 0.00 179.24 177.08 2kw2 h PHE 40 N 0.11 0.00 -0.90 0.28 3.04 -1.30 -2.95 116.94 115.22 2kw2 h PHE 40 Ca 0.01 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.01 2kw2 h PHE 40 Cb 0.79 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.25 2kw2 h PHE 40 CO 0.01 0.03 0.59 -0.07 -2.02 0.00 0.00 178.31 176.84 2kw2 h LEU 41 N 0.00 0.92 -0.37 0.59 3.38 -1.56 0.87 115.31 119.14 2kw2 h LEU 41 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2kw2 h LEU 41 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2kw2 h LEU 41 CO 0.00 0.60 -0.29 0.44 0.09 0.00 0.00 178.44 179.29 2kw2 h ASP 42 N 1.05 0.90 -0.05 -0.43 3.32 -1.71 -1.34 116.42 118.16 2kw2 h ASP 42 Ca 0.38 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2kw2 h ASP 42 Cb 0.14 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2kw2 h ASP 42 CO -0.13 1.15 0.03 0.40 -1.72 0.00 0.00 179.24 178.97 2kw2 h ILE 43 N 0.66 1.08 -0.91 0.35 2.04 -1.56 -1.40 117.51 117.77 2kw2 h ILE 43 Ca 0.07 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2kw2 h ILE 43 Cb 0.87 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2kw2 h ILE 43 CO 0.08 0.07 0.52 0.00 0.00 0.00 0.00 178.15 178.81 2kw2 h ALA 44 N 0.93 1.16 -0.06 1.87 0.00 -0.79 -0.65 119.26 121.73 2kw2 h ALA 44 Ca 0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 2kw2 h ALA 44 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2kw2 h ALA 44 CO -0.00 0.65 -0.73 0.35 0.00 0.00 0.00 179.25 179.51 2kw2 h PHE 45 N 1.26 0.46 0.00 0.00 3.57 -1.22 -0.61 116.94 120.40 2kw2 h PHE 45 Ca 0.32 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2kw2 h PHE 45 Cb -0.01 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2kw2 h PHE 45 CO 0.01 0.95 -0.33 0.00 -2.23 0.00 0.00 178.31 176.71 2kw2 h ALA 46 N 0.99 1.11 0.12 2.41 0.00 -0.63 -2.31 119.26 120.95 2kw2 h ALA 46 Ca -0.03 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.29 2kw2 h ALA 46 Cb 1.30 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.06 2kw2 h ALA 46 CO 0.12 0.42 -1.23 0.82 0.00 0.00 0.00 179.25 179.38 2kw2 h ILE 47 N 0.00 1.35 -0.95 0.00 2.04 -0.86 -0.67 117.51 118.42 2kw2 h ILE 47 Ca -0.00 -2.62 0.13 0.00 1.00 0.00 0.00 64.86 63.37 2kw2 h ILE 47 Cb 0.76 2.75 -0.09 0.00 -0.74 0.00 0.00 36.82 39.50 2kw2 h ILE 47 CO 0.04 0.78 0.57 0.44 0.00 0.00 0.00 178.15 179.99 2kw2 h ASP 48 N 0.21 0.80 0.00 1.72 5.19 -0.88 -1.93 116.42 121.52 2kw2 h ASP 48 Ca -0.17 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.27 2kw2 h ASP 48 Cb 1.91 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 41.33 2kw2 h ASP 48 CO 0.22 0.39 -0.19 0.11 -3.12 0.00 0.00 179.24 176.65 2kw2 h LYS 49 N 0.86 0.00 -0.03 3.56 1.57 -1.45 -1.97 116.57 119.11 2kw2 h LYS 49 Ca 0.49 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2kw2 h LYS 49 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2kw2 h LYS 49 CO -0.30 1.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.58 2kw2 h ALA 50 N -0.07 0.04 0.00 3.86 0.00 -1.06 -3.09 119.26 118.93 2kw2 h ALA 50 Ca -0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2kw2 h ALA 50 Cb 1.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2kw2 h ALA 50 CO -0.03 -0.30 -0.77 0.74 0.00 0.00 0.00 179.25 178.88 2kw2 h PHE 51 N -0.24 0.00 -2.80 0.00 -1.00 -1.57 -3.49 116.94 107.84 2kw2 h PHE 51 Ca 0.01 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 2kw2 h PHE 51 Cb 0.31 0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.91 2kw2 h PHE 51 CO 0.03 0.26 -0.19 0.41 -1.61 0.00 0.00 178.31 177.21 2kw2 n GLY 52 N 1.23 0.29 2.54 -1.45 0.00 -1.04 -5.00 105.19 101.76 2kw2 n GLY 52 Ca -0.01 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 2kw2 n GLY 52 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kw2 n ILE 53 N -1.96 0.00 -3.76 -0.61 -5.35 -0.77 -5.02 119.36 101.88 2kw2 n ILE 53 Ca -0.06 -1.81 -0.37 0.00 -0.27 0.00 0.00 62.75 60.24 2kw2 n ILE 53 Cb 0.54 0.67 -0.13 0.00 -1.74 0.00 0.00 39.64 38.98 2kw2 n ILE 53 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2kw2 s LYS 54 N -3.17 2.93 -0.59 6.28 2.20 -1.26 -4.47 119.74 121.65 2kw2 s LYS 54 Ca 0.17 -0.97 -0.12 0.00 -0.36 0.00 0.00 55.97 54.70 2kw2 s LYS 54 Cb 0.01 -3.39 0.15 0.00 -1.51 0.00 0.00 37.83 33.09 2kw2 s LYS 54 CO 0.12 -0.51 0.50 -1.17 -0.36 0.00 0.00 175.35 173.93 2kw2 s LEU 55 N 1.46 6.05 -1.16 5.43 0.20 -1.26 -5.03 118.68 124.38 2kw2 s LEU 55 Ca 0.01 -2.16 -0.19 0.00 0.69 0.00 0.00 54.13 52.48 2kw2 s LEU 55 Cb -0.18 -2.10 0.09 0.00 -0.43 0.00 0.00 46.19 43.57 2kw2 s LEU 55 CO 0.02 -0.68 1.53 -2.16 -0.29 0.00 0.00 176.35 174.77 2kw2 s PRO 56 N 0.99 3.85 0.45 0.98 0.04 -1.26 -4.80 135.00 135.26 2kw2 s PRO 56 Ca 0.09 -1.84 0.18 0.00 0.04 0.00 0.00 61.00 59.47 2kw2 s PRO 56 Cb -0.23 -5.32 1.06 0.00 0.04 0.00 0.00 34.50 30.05 2kw2 s PRO 56 CO -0.02 -2.09 1.97 1.25 0.04 0.00 0.00 177.00 178.15 2kw2 h LEU 57 N 11.82 0.00 -1.23 -3.56 5.85 -1.97 -1.68 115.31 124.54 2kw2 h LEU 57 Ca 0.32 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.13 2kw2 h LEU 57 Cb 0.93 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 2kw2 h LEU 57 CO 1.37 0.21 0.56 1.05 -0.34 0.00 0.00 178.44 181.29 2kw2 h GLU 58 N 0.00 0.84 0.02 1.25 4.11 -1.98 -0.96 114.58 117.87 2kw2 h GLU 58 Ca -0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 2kw2 h GLU 58 Cb 0.41 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2kw2 h GLU 58 CO 0.03 0.56 -0.19 -0.22 0.07 0.00 0.00 179.01 179.25 2kw2 h LYS 59 N 0.87 0.05 -0.64 1.06 3.64 -1.74 -3.02 116.57 116.78 2kw2 h LYS 59 Ca 0.39 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 2kw2 h LYS 59 Cb 0.38 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 2kw2 h LYS 59 CO -0.16 1.04 0.40 -1.49 -2.27 0.00 0.00 179.45 176.97 2kw2 h TRP 60 N -0.90 0.76 -0.63 1.91 4.06 -1.17 0.33 115.95 120.32 2kw2 h TRP 60 Ca -0.04 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 2kw2 h TRP 60 Cb 1.12 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 29.00 2kw2 h TRP 60 CO 0.26 0.45 0.08 1.15 -3.56 0.00 0.00 178.44 176.82 2kw2 h THR 61 N 0.80 1.26 -0.29 1.49 2.02 -1.36 -3.17 112.91 113.67 2kw2 h THR 61 Ca 0.25 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 2kw2 h THR 61 Cb -0.01 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2kw2 h THR 61 CO -0.09 0.39 -0.02 -0.61 0.37 0.00 0.00 175.52 175.56 2kw2 h GLN 62 N 0.97 0.44 -0.85 6.66 5.75 -1.00 -0.97 115.11 126.12 2kw2 h GLN 62 Ca 0.19 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.62 2kw2 h GLN 62 Cb 0.46 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.90 2kw2 h GLN 62 CO 0.02 0.48 0.56 0.93 -2.65 0.00 0.00 178.83 178.17 2kw2 h GLU 63 N 0.43 1.06 -0.11 1.69 4.39 -0.98 0.45 114.58 121.51 2kw2 h GLU 63 Ca 0.09 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 2kw2 h GLU 63 Cb 0.31 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2kw2 h GLU 63 CO 0.01 0.70 -0.29 0.28 -1.16 0.00 0.00 179.01 178.55 2kw2 h VAL 64 N 1.09 1.38 -0.05 3.13 2.07 -1.41 0.42 116.25 122.89 2kw2 h VAL 64 Ca 0.33 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.26 2kw2 h VAL 64 Cb -0.04 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2kw2 h VAL 64 CO -0.09 0.47 0.03 0.78 0.02 0.00 0.00 177.57 178.79 2kw2 h ASN 65 N -0.03 0.00 0.05 0.57 2.35 -0.62 -2.25 115.58 115.66 2kw2 h ASN 65 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kw2 h ASN 65 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2kw2 h ASN 65 CO 0.06 0.00 -1.38 -0.67 -1.65 0.00 0.00 177.43 173.80 2kw2 n ASP 66 N -4.44 0.58 0.00 5.81 -0.08 0.10 -4.98 116.55 113.53 2kw2 n ASP 66 Ca -0.02 -0.53 0.00 0.00 -1.51 0.00 0.00 54.79 52.73 2kw2 n ASP 66 Cb 0.13 1.35 0.00 0.00 2.34 0.00 0.00 41.12 44.95 2kw2 n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kw2 n GLY 67 N 1.39 0.51 0.15 0.27 0.00 -0.85 -4.96 105.19 101.71 2kw2 n GLY 67 Ca 0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 2kw2 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kw2 h LYS 68 N 0.26 0.01 -3.07 1.61 1.79 -0.48 -3.49 116.57 113.20 2kw2 h LYS 68 Ca 0.00 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2kw2 h LYS 68 Cb 0.00 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 2kw2 h LYS 68 CO 0.00 0.57 0.20 0.00 -1.08 0.00 0.00 179.45 179.14 2kw2 s ALA 69 N -3.74 -1.00 0.16 3.86 0.00 -0.49 -4.98 121.76 115.56 2kw2 s ALA 69 Ca -0.02 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.52 2kw2 s ALA 69 Cb 0.13 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 2kw2 s ALA 69 CO 0.76 -1.01 0.05 -0.08 0.00 0.00 0.00 175.76 175.48 2kw2 s THR 70 N -3.54 4.05 0.50 0.00 -1.32 -1.26 -3.73 115.64 110.33 2kw2 s THR 70 Ca 0.13 -1.23 0.19 0.00 -1.21 0.00 0.00 61.69 59.57 2kw2 s THR 70 Cb -0.05 -3.03 0.26 0.00 -1.51 0.00 0.00 72.50 68.16 2kw2 s THR 70 CO 0.08 -0.08 2.11 0.71 -2.21 0.00 0.00 174.62 175.23 2kw2 h THR 71 N 2.36 0.91 -0.61 5.08 1.35 -1.96 -2.79 112.91 117.26 2kw2 h THR 71 Ca -0.47 -0.27 0.06 0.00 -0.55 0.00 0.00 66.41 65.18 2kw2 h THR 71 Cb 1.20 1.15 -0.06 0.00 -1.73 0.00 0.00 68.15 68.71 2kw2 h THR 71 CO 0.60 0.07 0.30 -0.08 -0.25 0.00 0.00 175.52 176.17 2kw2 h GLU 72 N 0.00 0.54 0.00 4.72 4.81 -1.97 0.11 114.58 122.80 2kw2 h GLU 72 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2kw2 h GLU 72 Cb 0.15 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2kw2 h GLU 72 CO 0.01 0.36 -0.06 0.37 -0.73 0.00 0.00 179.01 178.96 2kw2 h GLN 73 N 0.56 0.00 0.00 1.92 -0.00 -1.88 -3.20 115.11 112.51 2kw2 h GLN 73 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 2kw2 h GLN 73 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.70 2kw2 h GLN 73 CO -0.21 0.06 0.00 0.66 0.00 0.00 0.00 178.83 179.34 2kw2 n TYR 74 N -3.27 0.00 0.30 3.99 4.01 -1.03 -4.36 117.16 116.81 2kw2 n TYR 74 Ca -0.01 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.90 2kw2 n TYR 74 Cb 0.25 0.00 0.97 0.00 -0.31 0.00 0.00 39.34 40.25 2kw2 n TYR 74 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 2kw2 h PHE 75 N 0.00 0.00 -2.70 -0.72 -1.00 -0.94 -1.39 116.94 110.19 2kw2 h PHE 75 Ca 0.00 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.25 2kw2 h PHE 75 Cb 0.00 0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.60 2kw2 h PHE 75 CO 0.00 0.01 0.99 0.08 -1.61 0.00 0.00 178.31 177.77 2kw2 s VAL 76 N -4.51 2.67 0.31 -0.55 1.01 -1.21 -1.43 120.40 116.69 2kw2 s VAL 76 Ca -0.05 0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 2kw2 s VAL 76 Cb 0.15 -3.21 0.21 0.00 0.00 0.00 0.00 36.38 33.53 2kw2 s VAL 76 CO 0.52 0.01 1.91 -0.07 0.00 0.00 0.00 175.10 177.48 2kw2 h LEU 77 N 7.78 0.79 -0.78 3.92 3.38 -0.91 0.18 115.31 129.66 2kw2 h LEU 77 Ca -0.43 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.35 2kw2 h LEU 77 Cb 1.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2kw2 h LEU 77 CO 0.93 0.67 -0.29 0.07 0.09 0.00 0.00 178.44 179.91 2kw2 h LYS 78 N 0.87 0.59 -0.11 1.13 2.10 -1.55 -0.65 116.57 118.95 2kw2 h LYS 78 Ca 0.22 -0.25 -0.10 0.00 -2.00 0.00 0.00 60.65 58.52 2kw2 h LYS 78 Cb 0.09 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2kw2 h LYS 78 CO -0.03 0.82 -0.32 -0.91 -2.00 0.00 0.00 179.45 177.01 2kw2 h ASN 79 N 0.51 0.47 -0.55 7.07 4.21 -1.29 -1.98 115.58 124.02 2kw2 h ASN 79 Ca 0.06 -0.60 0.09 0.00 1.21 0.00 0.00 56.30 57.06 2kw2 h ASN 79 Cb 0.76 -0.14 -0.07 0.00 -1.12 0.00 0.00 38.32 37.75 2kw2 h ASN 79 CO 0.06 0.98 0.18 0.25 -1.29 0.00 0.00 177.43 177.61 2kw2 h LEU 80 N -0.02 0.14 -1.53 1.61 5.85 0.43 -1.10 115.31 120.68 2kw2 h LEU 80 Ca -0.01 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2kw2 h LEU 80 Cb 0.93 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2kw2 h LEU 80 CO 0.07 0.10 -0.18 0.00 -0.34 0.00 0.00 178.44 178.09 2kw2 h ALA 81 N 1.40 1.62 -0.11 1.25 0.00 -1.05 -1.24 119.26 121.13 2kw2 h ALA 81 Ca 0.28 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2kw2 h ALA 81 Cb 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kw2 h ALA 81 CO -0.30 0.28 -0.65 0.00 0.00 0.00 0.00 179.25 178.58 2kw2 h ALA 82 N 1.75 0.23 -0.23 0.00 0.00 -0.77 -1.00 119.26 119.23 2kw2 h ALA 82 Ca 0.01 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.37 2kw2 h ALA 82 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2kw2 h ALA 82 CO 0.02 0.51 0.14 0.00 0.00 0.00 0.00 179.25 179.92 2kw2 h ARG 83 N 0.28 0.27 -0.28 0.00 2.47 -0.86 -1.76 114.38 114.51 2kw2 h ARG 83 Ca -0.05 -0.02 -0.16 0.00 -1.26 0.00 0.00 59.98 58.49 2kw2 h ARG 83 Cb 1.29 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2kw2 h ARG 83 CO 0.13 0.18 -0.48 0.82 0.56 0.00 0.00 179.97 181.18 2kw2 h ILE 84 N 0.28 1.29 -0.91 2.04 2.04 -1.31 -1.93 117.51 119.01 2kw2 h ILE 84 Ca 0.09 -1.68 0.14 0.00 1.00 0.00 0.00 64.86 64.41 2kw2 h ILE 84 Cb -0.01 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 2kw2 h ILE 84 CO -0.04 0.54 0.58 -0.78 0.00 0.00 0.00 178.15 178.45 2kw2 h ASP 85 N 0.60 0.69 -0.06 1.72 3.58 -1.11 -0.66 116.42 121.19 2kw2 h ASP 85 Ca 0.03 0.04 -0.19 0.00 0.42 0.00 0.00 57.03 57.33 2kw2 h ASP 85 Cb 1.06 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2kw2 h ASP 85 CO 0.10 0.35 -0.66 -0.08 -2.88 0.00 0.00 179.24 176.07 2kw2 h GLU 86 N 0.73 0.68 -0.64 0.28 4.81 -0.82 -1.09 114.58 118.53 2kw2 h GLU 86 Ca 0.46 -0.49 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2kw2 h GLU 86 Cb 0.70 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 2kw2 h GLU 86 CO -0.22 1.11 0.10 -0.07 -0.73 0.00 0.00 179.01 179.21 2kw2 h LEU 87 N 0.49 1.02 -0.17 1.64 3.38 -0.75 -0.48 115.31 120.43 2kw2 h LEU 87 Ca -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2kw2 h LEU 87 Cb 1.26 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2kw2 h LEU 87 CO 0.13 1.02 -0.09 -0.37 0.09 0.00 0.00 178.44 179.22 2kw2 h VAL 88 N 0.98 0.16 -0.33 1.22 -1.51 -1.18 -3.09 116.25 112.49 2kw2 h VAL 88 Ca 0.20 -1.16 -0.17 0.00 -1.23 0.00 0.00 66.70 64.34 2kw2 h VAL 88 Cb 0.43 2.02 -0.00 0.00 -2.13 0.00 0.00 31.29 31.61 2kw2 h VAL 88 CO 0.01 0.09 -0.47 0.00 -1.23 0.00 0.00 177.57 175.97 2kw2 h ALA 89 N 1.91 0.54 -0.54 5.19 0.00 -0.93 -3.23 119.26 122.20 2kw2 h ALA 89 Ca -0.00 -0.49 0.10 0.00 0.00 0.00 0.00 54.91 54.52 2kw2 h ALA 89 Cb 1.01 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 2kw2 h ALA 89 CO 0.01 0.68 0.08 0.00 0.00 0.00 0.00 179.25 180.02 2kw2 h ALA 90 N 0.76 0.60 -0.56 0.00 0.00 -1.00 -0.54 119.26 118.52 2kw2 h ALA 90 Ca 0.04 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2kw2 h ALA 90 Cb 1.07 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2kw2 h ALA 90 CO 0.11 -0.33 0.02 1.57 0.00 0.00 0.00 179.25 180.61 2kw2 h LYS 91 N 0.21 0.95 0.00 0.00 2.10 -1.65 -0.78 116.57 117.40 2kw2 h LYS 91 Ca 0.28 -0.27 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2kw2 h LYS 91 Cb 0.41 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2kw2 h LYS 91 CO -0.39 0.93 -0.17 0.78 -2.00 0.00 0.00 179.45 178.60 2kw2 h GLY 92 N 1.00 0.00 1.32 0.07 0.00 -1.42 -2.30 103.07 101.73 2kw2 h GLY 92 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.18 2kw2 h GLY 92 CO 0.02 0.00 -1.34 0.00 0.00 0.00 0.00 176.54 175.23 2kw2 h ALA 93 N 1.83 -0.04 -0.45 3.60 0.00 -0.59 -3.26 119.26 120.35 2kw2 h ALA 93 Ca -0.00 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 54.12 2kw2 h ALA 93 Cb 0.39 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2kw2 h ALA 93 CO 0.02 0.74 0.30 -0.07 0.00 0.00 0.00 179.25 180.24 2kw2 h LEU 94 N 0.19 0.42 -9.18 0.00 3.38 -0.81 -3.41 115.31 105.91 2kw2 h LEU 94 Ca -0.21 -0.01 -0.55 0.00 0.09 0.00 0.00 57.88 57.20 2kw2 h LEU 94 Cb 2.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 2kw2 h LEU 94 CO 0.25 0.29 1.18 -1.61 0.09 0.00 0.00 178.44 178.64 2kw2 s GLU 95 N -5.45 3.93 -0.10 1.13 2.02 -0.90 -4.99 118.70 114.35 2kw2 s GLU 95 Ca -0.08 2.10 -0.03 0.00 0.02 0.00 0.00 54.97 56.98 2kw2 s GLU 95 Cb 0.18 -4.08 0.04 0.00 0.10 0.00 0.00 34.13 30.37 2kw2 s GLU 95 CO 0.73 -1.16 0.08 -3.38 0.02 0.00 0.00 175.26 171.56 2kw2 s HIS 96 N 4.99 0.09 -1.43 1.61 -3.43 -1.26 -4.98 115.29 110.87 2kw2 s HIS 96 Ca 0.79 0.06 -0.13 0.00 -0.80 0.00 0.00 55.06 54.98 2kw2 s HIS 96 Cb -0.33 -0.55 0.06 0.00 -1.43 0.00 0.00 32.58 30.33 2kw2 s HIS 96 CO 0.33 -0.33 2.20 -2.39 -2.00 0.00 0.00 174.74 172.55 2kw2 n HIS 97 N 5.29 3.34 -3.72 0.38 1.44 -1.26 -4.87 115.22 115.82 2kw2 n HIS 97 Ca -0.05 -2.95 -0.12 0.00 -2.01 0.00 0.00 57.72 52.60 2kw2 n HIS 97 Cb 0.50 -2.42 -0.13 0.00 0.12 0.00 0.00 29.99 28.05 2kw2 n HIS 97 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kw2 s HIS 98 N 2.52 -0.37 0.27 -1.40 3.76 -1.26 -5.07 115.29 113.74 2kw2 s HIS 98 Ca 0.47 0.85 -0.03 0.00 -0.15 0.00 0.00 55.06 56.21 2kw2 s HIS 98 Cb 0.13 0.08 0.35 0.00 1.11 0.00 0.00 32.58 34.25 2kw2 s HIS 98 CO -0.07 -0.25 1.83 1.12 -0.85 0.00 0.00 174.74 176.52 2kw2 h HIS 99 N 7.17 0.96 -1.13 1.40 2.07 -2.08 -3.42 115.15 120.12 2kw2 h HIS 99 Ca -0.40 -0.07 0.09 0.00 -2.85 0.00 0.00 60.37 57.14 2kw2 h HIS 99 Cb 1.16 -0.29 -0.21 0.00 2.57 0.00 0.00 27.41 30.65 2kw2 h HIS 99 CO 0.34 0.76 -0.24 -1.58 -3.07 0.00 0.00 177.93 174.15 2kw2 s HIS 100 N -5.35 -1.55 -2.00 6.12 2.46 -1.26 -5.27 115.29 108.44 2kw2 s HIS 100 Ca -0.11 1.79 0.06 0.00 0.47 0.00 0.00 55.06 57.27 2kw2 s HIS 100 Cb 0.16 0.60 0.33 0.00 -0.13 0.00 0.00 32.58 33.54 2kw2 s HIS 100 CO 0.81 -0.84 0.80 -2.39 -2.47 0.00 0.00 174.74 170.65