#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 5.12 0.92 3.17 -1.32 -1.26 -5.09 115.64 117.18 2kw2 s THR 2 Ca 0.00 -0.40 -0.11 0.00 -1.21 0.00 0.00 61.69 59.96 2kw2 s THR 2 Cb 0.00 -3.82 0.15 0.00 -1.51 0.00 0.00 72.50 67.31 2kw2 s THR 2 CO 0.00 -0.45 1.09 -0.55 -2.21 0.00 0.00 174.62 172.50 2kw2 s SER 3 N -3.76 3.14 0.40 8.08 0.15 -1.26 -4.84 113.70 115.61 2kw2 s SER 3 Ca 0.40 1.63 0.10 0.00 0.70 0.00 0.00 55.95 58.78 2kw2 s SER 3 Cb -0.10 -2.28 0.90 0.00 -1.71 0.00 0.00 66.02 62.83 2kw2 s SER 3 CO 0.34 -2.87 1.98 0.74 1.20 0.00 0.00 173.24 174.62 2kw2 h THR 4 N -1.71 0.96 0.38 6.45 2.02 -1.99 -2.34 112.91 116.69 2kw2 h THR 4 Ca -0.50 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 2kw2 h THR 4 Cb 1.28 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2kw2 h THR 4 CO 0.52 0.10 -0.24 0.15 0.37 0.00 0.00 175.52 176.42 2kw2 h PHE 5 N 0.56 -0.63 0.00 3.16 3.57 -1.92 -1.12 116.94 120.55 2kw2 h PHE 5 Ca 0.28 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 2kw2 h PHE 5 Cb 0.37 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2kw2 h PHE 5 CO -0.00 -0.37 -0.24 0.22 -2.23 0.00 0.00 178.31 175.69 2kw2 h ASP 6 N -0.60 0.00 -0.15 0.41 3.58 -1.81 0.13 116.42 117.98 2kw2 h ASP 6 Ca -0.04 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 2kw2 h ASP 6 Cb 0.50 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 2kw2 h ASP 6 CO 0.03 0.24 -0.15 0.03 -2.88 0.00 0.00 179.24 176.51 2kw2 h ARG 7 N 0.00 0.38 -0.43 0.28 2.47 -1.27 -2.24 114.38 113.56 2kw2 h ARG 7 Ca -0.00 -0.20 -0.06 0.00 -1.26 0.00 0.00 59.98 58.46 2kw2 h ARG 7 Cb 0.46 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 2kw2 h ARG 7 CO 0.03 0.75 0.04 0.28 0.56 0.00 0.00 179.97 181.63 2kw2 h VAL 8 N 0.01 1.22 -0.73 2.04 2.07 -0.53 -2.74 116.25 117.59 2kw2 h VAL 8 Ca 0.02 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 2kw2 h VAL 8 Cb 0.69 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2kw2 h VAL 8 CO 0.04 0.30 0.31 0.00 0.02 0.00 0.00 177.57 178.23 2kw2 h ALA 9 N 1.40 0.95 -0.20 1.67 0.00 -0.73 -1.32 119.26 121.02 2kw2 h ALA 9 Ca 0.14 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2kw2 h ALA 9 Cb 0.35 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2kw2 h ALA 9 CO 0.01 0.56 -0.03 1.15 0.00 0.00 0.00 179.25 180.94 2kw2 h THR 10 N 1.04 0.82 -0.06 0.00 2.02 -1.23 -1.79 112.91 113.71 2kw2 h THR 10 Ca 0.25 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.42 2kw2 h THR 10 Cb 0.19 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2kw2 h THR 10 CO -0.02 0.00 0.02 0.40 0.37 0.00 0.00 175.52 176.29 2kw2 h ILE 11 N 0.02 0.99 -0.51 3.11 1.08 -1.08 -1.16 117.51 119.97 2kw2 h ILE 11 Ca 0.10 -0.02 -0.06 0.00 -0.39 0.00 0.00 64.86 64.49 2kw2 h ILE 11 Cb 0.14 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 2kw2 h ILE 11 CO -0.19 0.01 0.08 0.40 -0.69 0.00 0.00 178.15 177.76 2kw2 h ILE 12 N 0.05 1.23 -0.19 -0.67 2.04 -1.27 0.18 117.51 118.88 2kw2 h ILE 12 Ca 0.02 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 2kw2 h ILE 12 Cb 0.01 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2kw2 h ILE 12 CO -0.02 0.32 0.10 0.00 0.00 0.00 0.00 178.15 178.55 2kw2 h ALA 13 N 1.33 0.24 0.05 1.87 0.00 -0.92 -2.46 119.26 119.38 2kw2 h ALA 13 Ca 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kw2 h ALA 13 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kw2 h ALA 13 CO 0.01 -0.23 -0.02 0.93 0.00 0.00 0.00 179.25 179.93 2kw2 h GLU 14 N 0.20 -0.07 0.54 0.00 4.39 -0.98 -2.02 114.58 116.65 2kw2 h GLU 14 Ca 0.07 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2kw2 h GLU 14 Cb 0.06 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2kw2 h GLU 14 CO -0.01 0.55 -0.26 1.15 -1.16 0.00 0.00 179.01 179.28 2kw2 h THR 15 N -0.78 0.27 -0.00 1.13 2.02 -1.07 -3.23 112.91 111.26 2kw2 h THR 15 Ca -0.01 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2kw2 h THR 15 Cb 0.64 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2kw2 h THR 15 CO 0.01 0.04 -0.15 0.00 0.37 0.00 0.00 175.52 175.80 2kw2 n ASP 17 N -1.49 -7.70 -4.10 0.00 2.03 -1.04 -5.04 116.55 99.21 2kw2 n ASP 17 Ca 0.07 0.29 -0.25 0.00 0.52 0.00 0.00 54.79 55.42 2kw2 n ASP 17 Cb 0.34 -5.07 -0.16 0.00 -0.72 0.00 0.00 41.12 35.51 2kw2 n ASP 17 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kw2 s ILE 18 N -2.66 1.26 -0.25 5.18 1.01 -0.79 -5.04 121.20 119.92 2kw2 s ILE 18 Ca 0.18 -0.62 -0.39 0.00 0.00 0.00 0.00 60.65 59.82 2kw2 s ILE 18 Cb -0.05 -1.09 -0.15 0.00 0.01 0.00 0.00 42.46 41.18 2kw2 s ILE 18 CO 0.77 0.37 1.80 -0.81 0.00 0.00 0.00 174.94 177.08 2kw2 n PRO 19 N 3.19 1.36 0.26 2.79 -0.04 -1.26 -4.53 135.00 136.77 2kw2 n PRO 19 Ca -0.18 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 2kw2 n PRO 19 Cb 0.53 -2.23 0.69 0.00 -0.04 0.00 0.00 33.50 32.45 2kw2 n PRO 19 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2kw2 h ARG 20 N 7.92 0.00 -0.24 0.54 9.65 -1.94 -2.54 114.38 127.77 2kw2 h ARG 20 Ca -0.46 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.35 2kw2 h ARG 20 Cb 1.31 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.87 2kw2 h ARG 20 CO 0.96 0.13 -0.17 1.05 2.80 0.00 0.00 179.97 184.75 2kw2 h GLU 21 N 0.00 0.41 0.00 0.20 4.11 -2.01 -2.98 114.58 114.31 2kw2 h GLU 21 Ca -0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2kw2 h GLU 21 Cb 0.36 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2kw2 h GLU 21 CO 0.02 0.57 -0.61 1.79 0.07 0.00 0.00 179.01 180.85 2kw2 h THR 22 N 0.38 0.00 -2.87 -1.06 1.35 -1.85 -3.45 112.91 105.41 2kw2 h THR 22 Ca 0.07 -0.79 -0.57 0.00 -0.55 0.00 0.00 66.41 64.56 2kw2 h THR 22 Cb 0.52 1.45 -0.04 0.00 -1.73 0.00 0.00 68.15 68.35 2kw2 h THR 22 CO 0.03 0.00 1.20 -0.63 -0.25 0.00 0.00 175.52 175.87 2kw2 s ILE 23 N -3.25 3.62 0.26 6.82 1.01 -1.13 -4.95 121.20 123.58 2kw2 s ILE 23 Ca 0.04 0.64 0.12 0.00 0.00 0.00 0.00 60.65 61.45 2kw2 s ILE 23 Cb 0.10 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 2kw2 s ILE 23 CO 0.73 -0.52 -0.20 0.42 0.00 0.00 0.00 174.94 175.37 2kw2 s THR 24 N 6.31 2.48 0.44 2.92 -4.23 -1.26 -5.03 115.64 117.28 2kw2 s THR 24 Ca 0.73 -2.29 0.12 0.00 -1.18 0.00 0.00 61.69 59.07 2kw2 s THR 24 Cb -0.20 -2.27 0.30 0.00 1.34 0.00 0.00 72.50 71.67 2kw2 s THR 24 CO 0.33 -0.32 2.04 1.55 -0.54 0.00 0.00 174.62 177.68 2kw2 h PRO 25 N 2.50 0.38 0.00 3.99 0.13 -1.94 -2.89 132.00 134.17 2kw2 h PRO 25 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kw2 h PRO 25 Cb 1.25 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kw2 h PRO 25 CO 0.57 0.25 -0.52 0.39 -0.23 0.00 0.00 178.00 178.46 2kw2 n GLU 26 N -4.48 0.06 -2.23 0.86 1.02 -1.26 -1.06 120.64 113.56 2kw2 n GLU 26 Ca 0.05 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 2kw2 n GLU 26 Cb 0.21 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 2kw2 n GLU 26 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kw2 s SER 27 N -3.25 6.87 -0.07 1.62 1.04 -1.09 -4.83 113.70 113.98 2kw2 s SER 27 Ca 0.10 2.18 -0.18 0.00 0.48 0.00 0.00 55.95 58.53 2kw2 s SER 27 Cb 0.17 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 2kw2 s SER 27 CO 0.70 -0.66 0.48 -2.28 0.98 0.00 0.00 173.24 172.45 2kw2 s HIS 28 N 1.77 3.59 0.11 5.02 2.46 -1.26 -2.25 115.29 124.73 2kw2 s HIS 28 Ca 0.63 0.96 -0.34 0.00 0.47 0.00 0.00 55.06 56.78 2kw2 s HIS 28 Cb -0.33 -2.50 -0.13 0.00 -0.13 0.00 0.00 32.58 29.49 2kw2 s HIS 28 CO 0.28 0.31 1.56 0.00 -2.47 0.00 0.00 174.74 174.42 2kw2 h ALA 29 N 6.09 -0.92 0.28 1.58 0.00 -1.53 -0.37 119.26 124.39 2kw2 h ALA 29 Ca -0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2kw2 h ALA 29 Cb 1.19 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2kw2 h ALA 29 CO 0.71 -1.10 -0.14 0.82 0.00 0.00 0.00 179.25 179.55 2kw2 h ILE 30 N -0.65 0.37 -0.09 0.00 2.04 -1.81 0.11 117.51 117.48 2kw2 h ILE 30 Ca 0.02 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.05 2kw2 h ILE 30 Cb 0.71 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2kw2 h ILE 30 CO -0.37 0.09 0.01 -0.78 0.00 0.00 0.00 178.15 177.10 2kw2 h ASP 31 N -1.01 -0.01 0.00 1.72 3.58 -1.87 -2.93 116.42 115.90 2kw2 h ASP 31 Ca -0.04 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 2kw2 h ASP 31 Cb 0.44 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2kw2 h ASP 31 CO 0.06 0.01 -1.17 -0.67 -2.88 0.00 0.00 179.24 174.60 2kw2 n ASP 32 N -5.09 1.94 0.05 2.28 2.03 -0.30 -4.61 116.55 112.85 2kw2 n ASP 32 Ca -0.05 0.34 0.11 0.00 0.52 0.00 0.00 54.79 55.70 2kw2 n ASP 32 Cb 0.06 -0.75 0.45 0.00 -0.72 0.00 0.00 41.12 40.15 2kw2 n ASP 32 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kw2 n LEU 33 N -4.44 0.29 0.00 -2.67 4.77 -0.35 -4.88 117.00 109.72 2kw2 n LEU 33 Ca -0.18 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2kw2 n LEU 33 Cb 0.56 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2kw2 n LEU 33 CO 0.19 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 2kw2 n GLY 34 N 0.60 0.66 3.56 -0.72 0.00 -0.17 -4.97 105.19 104.16 2kw2 n GLY 34 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.70 3.60 0.70 -0.61 1.01 0.22 -4.90 121.20 118.51 2kw2 s ILE 35 Ca 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.97 2kw2 s ILE 35 Cb 0.00 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.21 2kw2 s ILE 35 CO 0.00 -1.13 1.11 -0.62 0.00 0.00 0.00 174.94 174.30 2kw2 s ASP 36 N 5.70 4.83 0.47 3.58 2.15 -1.26 -2.74 116.67 129.40 2kw2 s ASP 36 Ca 0.57 1.99 0.27 0.00 0.43 0.00 0.00 52.55 55.81 2kw2 s ASP 36 Cb -0.12 -2.55 1.45 0.00 -0.30 0.00 0.00 42.92 41.41 2kw2 s ASP 36 CO 0.23 -1.82 1.80 -1.28 -0.17 0.00 0.00 175.17 173.93 2kw2 h SER 37 N -0.32 0.00 0.32 -0.34 0.87 -1.98 -0.61 113.55 111.48 2kw2 h SER 37 Ca -0.46 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.77 2kw2 h SER 37 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 2kw2 h SER 37 CO 0.53 0.00 -1.73 -0.07 -0.53 0.00 0.00 176.83 175.03 2kw2 h LEU 38 N 0.00 0.39 -1.04 2.23 3.38 -2.02 -3.28 115.31 114.98 2kw2 h LEU 38 Ca 0.00 -0.66 -0.10 0.00 0.09 0.00 0.00 57.88 57.21 2kw2 h LEU 38 Cb 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kw2 h LEU 38 CO 0.00 1.57 -0.46 -0.78 0.09 0.00 0.00 178.44 178.86 2kw2 h ASP 39 N 0.07 0.04 0.92 -0.43 3.58 -1.53 -3.03 116.42 116.04 2kw2 h ASP 39 Ca -0.32 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 2kw2 h ASP 39 Cb 2.04 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 43.08 2kw2 h ASP 39 CO 0.13 0.50 -0.01 0.15 -2.88 0.00 0.00 179.24 177.13 2kw2 h PHE 40 N 0.03 0.00 -0.87 0.28 3.57 -1.26 -3.00 116.94 115.69 2kw2 h PHE 40 Ca -0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 2kw2 h PHE 40 Cb 0.83 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 2kw2 h PHE 40 CO 0.00 0.01 0.51 -0.07 -2.23 0.00 0.00 178.31 176.54 2kw2 h LEU 41 N 0.00 0.74 -0.59 0.59 3.38 -1.58 -0.23 115.31 117.62 2kw2 h LEU 41 Ca -0.00 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2kw2 h LEU 41 Cb 0.48 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2kw2 h LEU 41 CO 0.00 0.42 -0.25 0.44 0.09 0.00 0.00 178.44 179.15 2kw2 h ASP 42 N 0.85 0.88 -0.42 -0.43 5.19 -1.73 -2.16 116.42 118.60 2kw2 h ASP 42 Ca 0.42 -0.34 -0.09 0.00 -0.62 0.00 0.00 57.03 56.40 2kw2 h ASP 42 Cb 0.38 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2kw2 h ASP 42 CO -0.25 1.08 -0.09 0.40 -3.12 0.00 0.00 179.24 177.27 2kw2 h ILE 43 N 0.74 1.27 -0.57 0.35 2.04 -1.51 -1.09 117.51 118.74 2kw2 h ILE 43 Ca 0.09 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 2kw2 h ILE 43 Cb 0.79 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2kw2 h ILE 43 CO 0.07 0.40 0.21 0.00 0.00 0.00 0.00 178.15 178.83 2kw2 h ALA 44 N 0.86 1.29 -0.04 1.87 0.00 -0.97 -0.83 119.26 121.44 2kw2 h ALA 44 Ca 0.11 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 2kw2 h ALA 44 Cb 0.61 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kw2 h ALA 44 CO 0.04 0.52 -0.91 0.35 0.00 0.00 0.00 179.25 179.24 2kw2 h PHE 45 N 0.83 0.84 -0.13 0.00 3.57 -1.29 -1.84 116.94 118.92 2kw2 h PHE 45 Ca 0.19 -0.43 -0.13 0.00 3.53 0.00 0.00 57.97 61.13 2kw2 h PHE 45 Cb 0.19 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2kw2 h PHE 45 CO 0.01 1.25 -0.49 0.00 -2.23 0.00 0.00 178.31 176.85 2kw2 h ALA 46 N 0.62 0.91 -0.20 2.41 0.00 -0.84 -2.13 119.26 120.02 2kw2 h ALA 46 Ca -0.08 -0.48 -0.21 0.00 0.00 0.00 0.00 54.91 54.14 2kw2 h ALA 46 Cb 1.55 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.25 2kw2 h ALA 46 CO 0.17 0.66 -0.68 0.82 0.00 0.00 0.00 179.25 180.22 2kw2 h ILE 47 N 0.28 1.28 -0.66 0.00 2.04 -1.21 -1.38 117.51 117.86 2kw2 h ILE 47 Ca 0.01 -1.88 0.10 0.00 1.00 0.00 0.00 64.86 64.09 2kw2 h ILE 47 Cb 0.97 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 2kw2 h ILE 47 CO 0.08 0.60 0.29 -0.78 0.00 0.00 0.00 178.15 178.34 2kw2 h ASP 48 N 0.58 0.33 0.04 1.72 1.82 -1.13 -1.92 116.42 117.86 2kw2 h ASP 48 Ca -0.02 0.07 -0.15 0.00 -0.39 0.00 0.00 57.03 56.54 2kw2 h ASP 48 Cb 1.30 0.03 0.01 0.00 0.68 0.00 0.00 39.33 41.35 2kw2 h ASP 48 CO 0.14 0.19 -0.61 0.11 -1.61 0.00 0.00 179.24 177.46 2kw2 h LYS 49 N 0.49 0.34 0.33 0.28 1.57 -1.41 -1.73 116.57 116.43 2kw2 h LYS 49 Ca 0.33 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2kw2 h LYS 49 Cb 0.39 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2kw2 h LYS 49 CO -0.30 1.12 -0.16 0.00 -0.57 0.00 0.00 179.45 179.55 2kw2 h ALA 50 N 0.23 -0.44 0.00 3.86 0.00 -1.05 -2.93 119.26 118.93 2kw2 h ALA 50 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kw2 h ALA 50 Cb 1.37 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2kw2 h ALA 50 CO 0.12 -0.66 -0.10 1.19 0.00 0.00 0.00 179.25 179.79 2kw2 n PHE 51 N -5.21 0.48 -3.06 0.00 3.01 -0.74 -4.94 117.46 107.00 2kw2 n PHE 51 Ca -0.10 0.14 -0.13 0.00 1.01 0.00 0.00 57.45 58.37 2kw2 n PHE 51 Cb 0.24 -0.70 0.04 0.00 -0.01 0.00 0.00 39.48 39.05 2kw2 n PHE 51 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kw2 n GLY 52 N 1.40 0.12 3.69 1.37 0.00 -1.10 -4.99 105.19 105.68 2kw2 n GLY 52 Ca 0.06 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2kw2 n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kw2 s ILE 53 N -3.15 1.61 -0.44 -0.61 -4.36 -0.67 -5.04 121.20 108.54 2kw2 s ILE 53 Ca 0.31 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.61 2kw2 s ILE 53 Cb -0.14 -2.60 0.10 0.00 1.25 0.00 0.00 42.46 41.07 2kw2 s ILE 53 CO 0.38 0.00 0.30 -0.75 0.24 0.00 0.00 174.94 175.11 2kw2 s LYS 54 N -3.79 2.54 -0.46 0.37 2.20 -1.26 -4.57 119.74 114.77 2kw2 s LYS 54 Ca 0.21 -1.60 -0.23 0.00 -0.36 0.00 0.00 55.97 53.99 2kw2 s LYS 54 Cb 0.06 -3.84 0.03 0.00 -1.51 0.00 0.00 37.83 32.57 2kw2 s LYS 54 CO 0.11 -1.06 0.79 -1.17 -0.36 0.00 0.00 175.35 173.66 2kw2 s LEU 55 N 1.39 4.27 -1.13 5.43 0.20 -1.26 -5.01 118.68 122.57 2kw2 s LEU 55 Ca 0.04 -0.17 -0.16 0.00 0.69 0.00 0.00 54.13 54.54 2kw2 s LEU 55 Cb -0.24 -2.93 0.15 0.00 -0.43 0.00 0.00 46.19 42.74 2kw2 s LEU 55 CO 0.01 -0.94 1.37 -2.16 -0.29 0.00 0.00 176.35 174.34 2kw2 s PRO 56 N 3.31 3.94 0.39 0.98 0.04 -1.26 -4.77 135.00 137.63 2kw2 s PRO 56 Ca 0.29 -2.29 0.20 0.00 0.04 0.00 0.00 61.00 59.24 2kw2 s PRO 56 Cb -0.12 -5.06 0.71 0.00 0.04 0.00 0.00 34.50 30.07 2kw2 s PRO 56 CO 0.22 -1.81 1.74 1.25 0.04 0.00 0.00 177.00 178.44 2kw2 h LEU 57 N 10.14 0.00 -1.36 -3.56 5.85 -1.95 -2.52 115.31 121.91 2kw2 h LEU 57 Ca 0.28 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.11 2kw2 h LEU 57 Cb 0.92 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 2kw2 h LEU 57 CO 1.22 0.33 0.53 1.05 -0.34 0.00 0.00 178.44 181.23 2kw2 h GLU 58 N 0.00 0.66 0.05 1.25 4.11 -2.00 -0.11 114.58 118.54 2kw2 h GLU 58 Ca -0.00 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.31 2kw2 h GLU 58 Cb 0.88 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.99 2kw2 h GLU 58 CO 0.04 0.44 -0.34 -0.22 0.07 0.00 0.00 179.01 179.00 2kw2 h LYS 59 N 0.68 0.14 0.12 1.06 3.64 -1.87 -3.14 116.57 117.20 2kw2 h LYS 59 Ca 0.38 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2kw2 h LYS 59 Cb 0.55 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2kw2 h LYS 59 CO -0.15 1.07 -0.06 -1.49 -2.27 0.00 0.00 179.45 176.55 2kw2 h TRP 60 N -0.68 -0.15 -0.64 1.91 4.06 -1.08 -0.03 115.95 119.34 2kw2 h TRP 60 Ca -0.06 -0.00 0.08 0.00 2.06 0.00 0.00 58.89 60.97 2kw2 h TRP 60 Cb 1.23 0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 29.37 2kw2 h TRP 60 CO 0.23 -0.05 0.31 1.15 -3.56 0.00 0.00 178.44 176.52 2kw2 h THR 61 N -0.21 0.86 -0.79 1.49 2.02 -1.21 -2.58 112.91 112.49 2kw2 h THR 61 Ca -0.02 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 2kw2 h THR 61 Cb 0.17 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2kw2 h THR 61 CO 0.03 0.10 0.31 -0.61 0.37 0.00 0.00 175.52 175.72 2kw2 h GLN 62 N 0.54 1.18 -0.71 6.66 5.75 -1.36 -1.11 115.11 126.06 2kw2 h GLN 62 Ca 0.31 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2kw2 h GLN 62 Cb 0.31 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 2kw2 h GLN 62 CO -0.25 0.96 0.28 0.93 -2.65 0.00 0.00 178.83 178.10 2kw2 h GLU 63 N 1.14 1.05 -0.06 1.69 5.08 -0.71 0.54 114.58 123.32 2kw2 h GLU 63 Ca 0.26 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2kw2 h GLU 63 Cb 0.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2kw2 h GLU 63 CO -0.02 0.86 -0.19 0.28 -1.00 0.00 0.00 179.01 178.93 2kw2 h VAL 64 N 1.03 1.44 0.00 3.13 2.07 -1.20 0.53 116.25 123.24 2kw2 h VAL 64 Ca 0.24 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2kw2 h VAL 64 Cb 0.21 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2kw2 h VAL 64 CO -0.02 0.45 0.00 0.78 0.02 0.00 0.00 177.57 178.80 2kw2 h ASN 65 N -0.28 0.00 0.27 0.57 2.35 -1.06 -1.81 115.58 115.62 2kw2 h ASN 65 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2kw2 h ASN 65 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2kw2 h ASN 65 CO 0.04 0.00 -0.56 -0.67 -1.65 0.00 0.00 177.43 174.59 2kw2 n ASP 66 N -2.50 0.90 -0.04 5.81 2.03 0.17 -4.97 116.55 117.94 2kw2 n ASP 66 Ca 0.02 -0.71 -0.01 0.00 0.52 0.00 0.00 54.79 54.61 2kw2 n ASP 66 Cb 0.28 0.43 -0.00 0.00 -0.72 0.00 0.00 41.12 41.10 2kw2 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kw2 n GLY 67 N 1.46 0.46 0.06 0.27 0.00 -0.68 -4.95 105.19 101.81 2kw2 n GLY 67 Ca 0.07 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 0.39 0.00 -6.21 1.61 1.79 -1.16 -3.48 116.57 109.52 2kw2 h LYS 68 Ca -0.01 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.97 2kw2 h LYS 68 Cb 0.06 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 2kw2 h LYS 68 CO 0.02 0.47 -0.46 0.00 -1.08 0.00 0.00 179.45 178.40 2kw2 s ALA 69 N -2.40 3.80 0.21 3.86 0.00 -0.65 -5.00 121.76 121.58 2kw2 s ALA 69 Ca -0.09 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.33 2kw2 s ALA 69 Cb -0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2kw2 s ALA 69 CO 0.33 0.07 0.34 -0.08 0.00 0.00 0.00 175.76 176.42 2kw2 s THR 70 N -2.25 5.27 0.38 0.00 -1.32 -1.26 -4.02 115.64 112.44 2kw2 s THR 70 Ca 0.39 -0.78 0.06 0.00 -1.21 0.00 0.00 61.69 60.15 2kw2 s THR 70 Cb -0.07 -3.80 0.22 0.00 -1.51 0.00 0.00 72.50 67.35 2kw2 s THR 70 CO 0.26 -0.23 1.99 0.71 -2.21 0.00 0.00 174.62 175.14 2kw2 h THR 71 N 1.37 1.14 -0.70 5.08 1.35 -1.96 -2.99 112.91 116.19 2kw2 h THR 71 Ca -0.50 -0.43 0.15 0.00 -0.55 0.00 0.00 66.41 65.08 2kw2 h THR 71 Cb 1.21 0.68 -0.10 0.00 -1.73 0.00 0.00 68.15 68.21 2kw2 h THR 71 CO 0.65 0.17 0.16 -0.08 -0.25 0.00 0.00 175.52 176.16 2kw2 h GLU 72 N 0.53 0.25 0.00 4.72 4.81 -1.96 -0.29 114.58 122.64 2kw2 h GLU 72 Ca 0.13 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2kw2 h GLU 72 Cb 0.09 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2kw2 h GLU 72 CO -0.02 0.17 -0.10 0.37 -0.73 0.00 0.00 179.01 178.71 2kw2 h GLN 73 N 0.26 0.00 0.00 1.92 4.15 -1.88 -2.45 115.11 117.12 2kw2 h GLN 73 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.81 2kw2 h GLN 73 Cb 0.64 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.33 2kw2 h GLN 73 CO -0.49 0.10 0.00 0.66 -1.93 0.00 0.00 178.83 177.17 2kw2 n TYR 74 N -4.25 0.00 0.00 3.99 4.01 -0.83 -3.49 117.16 116.59 2kw2 n TYR 74 Ca -0.03 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2kw2 n TYR 74 Cb 0.18 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2kw2 n TYR 74 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2kw2 n PHE 75 N -0.00 0.00 -1.94 -0.72 3.01 -0.18 -4.67 117.46 112.95 2kw2 n PHE 75 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 2kw2 n PHE 75 Cb 0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.46 2kw2 n PHE 75 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2kw2 s VAL 76 N -1.41 3.05 0.41 -4.37 1.01 -0.92 -1.33 120.40 116.84 2kw2 s VAL 76 Ca 0.00 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.57 2kw2 s VAL 76 Cb 0.00 -3.33 0.23 0.00 0.00 0.00 0.00 36.38 33.28 2kw2 s VAL 76 CO 0.00 -0.00 2.01 -0.07 0.00 0.00 0.00 175.10 177.04 2kw2 h LEU 77 N 8.49 0.38 -0.52 3.92 3.38 -1.31 0.11 115.31 129.76 2kw2 h LEU 77 Ca -0.42 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 2kw2 h LEU 77 Cb 1.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2kw2 h LEU 77 CO 0.93 0.35 0.04 0.07 0.09 0.00 0.00 178.44 179.92 2kw2 h LYS 78 N 0.43 0.89 -0.03 1.13 2.10 -1.37 -1.14 116.57 118.58 2kw2 h LYS 78 Ca 0.11 -0.27 -0.09 0.00 -2.00 0.00 0.00 60.65 58.40 2kw2 h LYS 78 Cb 0.09 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 31.33 2kw2 h LYS 78 CO -0.01 0.90 -0.35 -0.91 -2.00 0.00 0.00 179.45 177.08 2kw2 h ASN 79 N 0.77 0.35 -0.40 7.07 2.35 -1.30 -1.30 115.58 123.12 2kw2 h ASN 79 Ca 0.15 -0.72 0.08 0.00 -0.55 0.00 0.00 56.30 55.26 2kw2 h ASN 79 Cb 0.47 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.66 2kw2 h ASN 79 CO 0.02 1.02 -0.07 0.25 -1.65 0.00 0.00 177.43 177.00 2kw2 h LEU 80 N -0.28 -0.32 -1.28 1.61 5.85 -0.91 -0.82 115.31 119.16 2kw2 h LEU 80 Ca -0.04 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2kw2 h LEU 80 Cb 1.05 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2kw2 h LEU 80 CO 0.07 -0.11 -0.29 0.00 -0.34 0.00 0.00 178.44 177.77 2kw2 h ALA 81 N 1.39 1.16 -0.20 1.25 0.00 -1.17 -1.61 119.26 120.08 2kw2 h ALA 81 Ca 0.19 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 2kw2 h ALA 81 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2kw2 h ALA 81 CO -0.39 0.37 -0.56 0.00 0.00 0.00 0.00 179.25 178.67 2kw2 h ALA 82 N 1.71 0.33 -0.69 0.00 0.00 -0.77 -0.01 119.26 119.82 2kw2 h ALA 82 Ca -0.00 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.40 2kw2 h ALA 82 Cb 0.68 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2kw2 h ALA 82 CO 0.04 0.55 0.46 0.00 0.00 0.00 0.00 179.25 180.30 2kw2 h ARG 83 N 0.43 0.91 -0.33 0.00 2.47 -0.65 -1.37 114.38 115.84 2kw2 h ARG 83 Ca -0.01 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.48 2kw2 h ARG 83 Cb 1.18 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 29.29 2kw2 h ARG 83 CO 0.12 0.60 -0.46 0.82 0.56 0.00 0.00 179.97 181.61 2kw2 h ILE 84 N 0.94 1.27 -0.38 2.04 2.04 -1.34 -2.52 117.51 119.56 2kw2 h ILE 84 Ca 0.26 -1.64 0.08 0.00 1.00 0.00 0.00 64.86 64.55 2kw2 h ILE 84 Cb -0.10 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2kw2 h ILE 84 CO -0.06 0.54 0.26 -0.78 0.00 0.00 0.00 178.15 178.12 2kw2 h ASP 85 N 0.70 0.14 -0.27 1.72 3.58 -0.78 -0.33 116.42 121.17 2kw2 h ASP 85 Ca 0.04 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2kw2 h ASP 85 Cb 1.07 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 2kw2 h ASP 85 CO 0.11 0.09 -0.28 -0.08 -2.88 0.00 0.00 179.24 176.20 2kw2 h GLU 86 N 0.16 0.67 -0.60 0.28 4.81 -0.91 -1.72 114.58 117.27 2kw2 h GLU 86 Ca 0.17 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 2kw2 h GLU 86 Cb 0.49 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2kw2 h GLU 86 CO -0.03 0.97 0.01 -0.07 -0.73 0.00 0.00 179.01 179.16 2kw2 h LEU 87 N 0.39 1.02 -0.64 1.64 3.38 -0.92 0.24 115.31 120.43 2kw2 h LEU 87 Ca 0.04 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 2kw2 h LEU 87 Cb 0.85 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2kw2 h LEU 87 CO 0.07 1.07 -0.65 -0.37 0.09 0.00 0.00 178.44 178.65 2kw2 h VAL 88 N 0.94 1.42 -0.53 1.22 -1.51 -1.17 -3.01 116.25 113.62 2kw2 h VAL 88 Ca 0.17 -2.27 -0.11 0.00 -1.23 0.00 0.00 66.70 63.26 2kw2 h VAL 88 Cb 0.54 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.93 2kw2 h VAL 88 CO 0.03 0.64 -0.11 0.00 -1.23 0.00 0.00 177.57 176.90 2kw2 h ALA 89 N 1.35 0.72 -0.43 5.19 0.00 -1.06 -3.16 119.26 121.87 2kw2 h ALA 89 Ca -0.01 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.62 2kw2 h ALA 89 Cb 1.19 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 2kw2 h ALA 89 CO 0.08 0.63 0.10 0.00 0.00 0.00 0.00 179.25 180.07 2kw2 h ALA 90 N 0.91 0.49 -0.31 0.00 0.00 -0.82 0.28 119.26 119.81 2kw2 h ALA 90 Ca 0.14 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2kw2 h ALA 90 Cb 0.67 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2kw2 h ALA 90 CO 0.05 -0.30 -0.22 1.57 0.00 0.00 0.00 179.25 180.36 2kw2 h LYS 91 N 0.24 0.60 0.00 0.00 2.10 -1.62 -1.84 116.57 116.06 2kw2 h LYS 91 Ca 0.21 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2kw2 h LYS 91 Cb 0.25 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2kw2 h LYS 91 CO -0.26 0.77 0.00 0.41 -2.00 0.00 0.00 179.45 178.37 2kw2 n GLY 92 N -0.37 -1.54 0.11 0.07 0.00 -0.95 -3.08 105.19 99.43 2kw2 n GLY 92 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2kw2 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kw2 h ALA 93 N 2.45 0.16 0.00 4.61 0.00 0.12 -3.21 119.26 123.39 2kw2 h ALA 93 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 2kw2 h ALA 93 Cb 0.59 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kw2 h ALA 93 CO 0.00 1.03 -0.05 -0.07 0.00 0.00 0.00 179.25 180.16 2kw2 h LEU 94 N 0.07 0.00 -9.37 0.00 3.38 -1.28 -3.40 115.31 104.71 2kw2 h LEU 94 Ca -0.17 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.25 2kw2 h LEU 94 Cb 1.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 2kw2 h LEU 94 CO 0.19 0.05 0.39 -1.61 0.09 0.00 0.00 178.44 177.55 2kw2 s GLU 95 N -4.25 4.51 0.52 1.13 0.41 -1.21 -4.96 118.70 114.86 2kw2 s GLU 95 Ca -0.04 1.36 0.21 0.00 -0.41 0.00 0.00 54.97 56.09 2kw2 s GLU 95 Cb 0.13 -3.48 1.38 0.00 -1.78 0.00 0.00 34.13 30.38 2kw2 s GLU 95 CO 0.53 -0.11 2.13 0.45 -0.49 0.00 0.00 175.26 177.77 2kw2 h HIS 96 N 6.88 0.00 -3.73 1.61 3.86 -1.85 -3.41 115.15 118.52 2kw2 h HIS 96 Ca -0.38 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.41 2kw2 h HIS 96 Cb 1.20 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 29.36 2kw2 h HIS 96 CO 0.69 0.06 -0.78 -1.01 0.86 0.00 0.00 177.93 177.74 2kw2 s HIS 97 N -4.75 0.85 0.74 2.45 3.76 -1.26 -5.13 115.29 111.95 2kw2 s HIS 97 Ca -0.05 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 54.54 2kw2 s HIS 97 Cb 0.16 -0.64 0.04 0.00 1.11 0.00 0.00 32.58 33.25 2kw2 s HIS 97 CO 0.63 -0.11 1.09 -1.01 -0.85 0.00 0.00 174.74 174.49 2kw2 s HIS 98 N 0.34 2.65 -0.00 1.40 0.09 -1.26 -4.92 115.29 113.59 2kw2 s HIS 98 Ca -0.05 1.54 -0.32 0.00 -0.00 0.00 0.00 55.06 56.23 2kw2 s HIS 98 Cb -0.09 -3.04 -0.11 0.00 -0.00 0.00 0.00 32.58 29.33 2kw2 s HIS 98 CO 0.00 -1.70 1.90 1.58 -0.00 0.00 0.00 174.74 176.52 2kw2 n HIS 99 N -3.29 2.43 -2.33 1.40 -0.00 -1.26 -4.94 115.22 107.23 2kw2 n HIS 99 Ca 0.09 -0.15 -0.43 0.00 0.46 0.00 0.00 57.72 57.69 2kw2 n HIS 99 Cb 0.53 -2.72 -0.02 0.00 -0.12 0.00 0.00 29.99 27.66 2kw2 n HIS 99 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kw2 s HIS 100 N 3.89 2.64 -2.00 1.57 5.04 -1.26 -5.26 115.29 119.91 2kw2 s HIS 100 Ca 0.89 0.82 0.20 0.00 -1.54 0.00 0.00 55.06 55.43 2kw2 s HIS 100 Cb -0.57 -3.62 1.17 0.00 0.04 0.00 0.00 32.58 29.60 2kw2 s HIS 100 CO 0.46 -2.18 1.56 1.58 -2.34 0.00 0.00 174.74 173.81