#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khd s SER 2 N 0.00 6.17 0.54 7.83 0.15 -1.26 -5.03 113.70 122.11 2khd s SER 2 Ca 0.00 2.43 0.01 0.00 0.70 0.00 0.00 55.95 59.09 2khd s SER 2 Cb 0.00 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 2khd s SER 2 CO 0.00 -0.92 0.77 0.54 1.20 0.00 0.00 173.24 174.83 2khd s ASN 3 N -1.15 5.34 0.28 5.45 2.20 -1.26 -4.65 114.94 121.15 2khd s ASN 3 Ca 0.62 0.06 0.00 0.00 -0.94 0.00 0.00 52.86 52.60 2khd s ASN 3 Cb -0.32 -0.99 0.00 0.00 -2.00 0.00 0.00 41.25 37.94 2khd s ASN 3 CO 0.40 -1.10 0.00 0.00 -2.94 0.00 0.00 177.10 173.46 2khd n GLN 4 N -2.33 0.00 0.00 3.55 6.02 -0.95 -4.71 117.38 118.96 2khd n GLN 4 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2khd n GLN 4 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 2khd n GLN 4 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2khd n THR 5 N -0.47 0.00 0.27 5.09 -1.04 -1.26 -1.78 114.28 115.10 2khd n THR 5 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 2khd n THR 5 Cb 0.00 0.00 0.74 0.00 -1.82 0.00 0.00 70.33 69.25 2khd n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2khd s VAL 7 N -4.85 5.41 0.00 0.00 1.01 -0.73 -4.78 120.40 116.46 2khd s VAL 7 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2khd s VAL 7 Cb 0.16 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2khd s VAL 7 CO 0.62 0.45 0.00 1.21 0.00 0.00 0.00 175.10 177.38 2khd n GLU 8 N 3.41 0.00 0.00 2.72 2.13 -1.26 -2.23 120.64 125.41 2khd n GLU 8 Ca -0.16 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.80 2khd n GLU 8 Cb 0.52 0.00 0.62 0.00 0.27 0.00 0.00 31.44 32.85 2khd n GLU 8 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2khd n ASN 9 N -1.45 0.00 -4.86 4.31 5.15 -1.26 -4.81 115.26 112.33 2khd n ASN 9 Ca 0.00 0.50 -0.32 0.00 -0.60 0.00 0.00 54.58 54.16 2khd n ASN 9 Cb 0.00 -0.50 -0.05 0.00 -0.53 0.00 0.00 39.78 38.70 2khd n ASN 9 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2khd s GLU 10 N -3.00 3.90 -0.14 1.20 8.01 -1.26 -5.07 118.70 122.34 2khd s GLU 10 Ca 0.14 0.52 -0.02 0.00 0.01 0.00 0.00 54.97 55.61 2khd s GLU 10 Cb 0.19 -2.48 -0.02 0.00 -4.31 0.00 0.00 34.13 27.51 2khd s GLU 10 CO 0.53 0.15 -0.07 0.08 0.01 0.00 0.00 175.26 175.95 2khd s VAL 11 N -2.04 3.57 0.00 2.63 1.01 -1.26 -5.05 120.40 119.26 2khd s VAL 11 Ca 0.52 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2khd s VAL 11 Cb -0.10 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2khd s VAL 11 CO 0.22 0.51 0.25 0.00 0.00 0.00 0.00 175.10 176.07 2khd n GLU 13 N -1.29 -1.47 -1.93 0.00 1.02 -1.26 -4.80 120.64 110.92 2khd n GLU 13 Ca 0.00 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.47 2khd n GLU 13 Cb 0.00 -2.04 -0.01 0.00 -0.02 0.00 0.00 31.44 29.37 2khd n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2khd s ALA 14 N -2.80 3.49 0.01 0.62 0.00 -1.26 -5.00 121.76 116.82 2khd s ALA 14 Ca 0.03 1.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 2khd s ALA 14 Cb -0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 2khd s ALA 14 CO 0.84 -0.92 0.19 0.00 0.00 0.00 0.00 175.76 175.87 2khd n GLY 16 N 0.76 -0.16 0.28 0.00 0.00 -1.26 -4.50 105.19 100.31 2khd n GLY 16 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 2khd n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khd n ALA 18 N -2.47 -0.03 1.64 0.00 0.00 -1.26 -4.64 120.51 113.75 2khd n ALA 18 Ca 0.02 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2khd n ALA 18 Cb 0.27 -0.68 0.56 0.00 0.00 0.00 0.00 19.45 19.61 2khd n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2khd n GLY 19 N 0.28 -0.37 3.51 0.00 0.00 -1.26 -4.85 105.19 102.49 2khd n GLY 19 Ca -0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2khd n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2khd n GLU 20 N -0.26 0.15 -3.21 1.61 0.28 -1.26 -4.85 120.64 113.10 2khd n GLU 20 Ca 0.18 -0.08 -0.39 0.00 -0.16 0.00 0.00 57.16 56.71 2khd n GLU 20 Cb 0.22 -1.67 -0.05 0.00 1.43 0.00 0.00 31.44 31.36 2khd n GLU 20 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2khd s ILE 21 N 6.19 5.13 0.00 3.84 2.07 -1.26 -4.99 121.20 132.17 2khd s ILE 21 Ca 1.27 1.14 0.00 0.00 -1.41 0.00 0.00 60.65 61.65 2khd s ILE 21 Cb -0.89 -3.90 0.00 0.00 0.13 0.00 0.00 42.46 37.79 2khd s ILE 21 CO 0.46 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 174.39 2khd n GLY 22 N 3.23 0.05 3.58 1.50 0.00 -1.26 -5.14 105.19 107.15 2khd n GLY 22 Ca -0.05 0.72 -0.37 0.00 0.00 0.00 0.00 46.02 46.32 2khd n GLY 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2khd s PHE 23 N 0.00 3.22 0.32 1.61 5.36 -1.26 -5.08 117.98 122.15 2khd s PHE 23 Ca 0.00 0.04 -0.19 0.00 -0.96 0.00 0.00 56.93 55.82 2khd s PHE 23 Cb 0.00 -2.30 -0.09 0.00 -0.34 0.00 0.00 43.02 40.29 2khd s PHE 23 CO 0.00 -0.12 0.80 0.96 -1.46 0.00 0.00 175.22 175.41 2khd s ILE 24 N 1.44 4.53 -0.10 3.12 -4.36 -1.26 -4.66 121.20 119.90 2khd s ILE 24 Ca 0.07 1.26 -0.07 0.00 -0.26 0.00 0.00 60.65 61.65 2khd s ILE 24 Cb -0.15 -3.73 0.03 0.00 1.25 0.00 0.00 42.46 39.86 2khd s ILE 24 CO 0.07 -0.07 0.14 -0.38 0.24 0.00 0.00 174.94 174.95 2khd n ILE 25 N -0.01 -9.12 0.00 8.37 5.41 -1.26 -4.98 119.36 117.77 2khd n ILE 25 Ca 0.02 1.95 0.00 0.00 1.00 0.00 0.00 62.75 65.73 2khd n ILE 25 Cb 0.52 -5.15 0.00 0.00 -0.71 0.00 0.00 39.64 34.31 2khd n ILE 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2khd n ARG 26 N 1.98 2.12 -3.04 0.38 3.00 -1.26 -4.93 116.66 114.91 2khd n ARG 26 Ca -0.25 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.40 2khd n ARG 26 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.81 2khd n ARG 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2khd n GLU 27 N 0.00 1.80 -0.93 -0.14 4.07 -1.26 -5.11 120.64 119.07 2khd n GLU 27 Ca 0.00 -3.88 -0.29 0.00 -0.06 0.00 0.00 57.16 52.93 2khd n GLU 27 Cb 0.00 -1.86 0.21 0.00 -0.06 0.00 0.00 31.44 29.73 2khd n GLU 27 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2khd s GLY 28 N -2.86 1.56 0.00 8.31 0.00 -1.26 -4.89 107.32 108.17 2khd s GLY 28 Ca 0.42 -0.26 0.30 0.00 0.00 0.00 0.00 44.72 45.18 2khd s GLY 28 CO -0.09 0.39 2.12 2.09 0.00 0.00 0.00 173.10 177.60 2khd n ASP 29 N -4.47 0.00 -1.73 1.64 5.75 -1.26 -3.18 116.55 113.30 2khd n ASP 29 Ca 0.04 -0.59 -0.08 0.00 -0.01 0.00 0.00 54.79 54.15 2khd n ASP 29 Cb 0.56 -0.13 0.20 0.00 -1.03 0.00 0.00 41.12 40.71 2khd n ASP 29 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2khd n ASP 30 N -1.13 3.90 -4.24 -1.12 2.03 -1.26 -4.89 116.55 109.85 2khd n ASP 30 Ca 0.19 -2.96 -0.18 0.00 0.52 0.00 0.00 54.79 52.36 2khd n ASP 30 Cb 0.17 -0.70 -0.11 0.00 -0.72 0.00 0.00 41.12 39.75 2khd n ASP 30 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2khd s VAL 31 N -2.33 1.33 0.05 5.18 0.11 -1.19 -2.50 120.40 121.04 2khd s VAL 31 Ca 0.40 -1.67 0.04 0.00 -2.93 0.00 0.00 61.98 57.82 2khd s VAL 31 Cb 0.33 -1.49 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 2khd s VAL 31 CO 0.09 -0.38 -0.11 0.00 -3.33 0.00 0.00 175.10 171.38 2khd s ALA 32 N -2.01 0.86 0.17 1.54 0.00 0.32 -4.97 121.76 117.68 2khd s ALA 32 Ca 0.08 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 2khd s ALA 32 Cb -0.06 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 2khd s ALA 32 CO 0.03 0.10 0.49 -1.21 0.00 0.00 0.00 175.76 175.17 2khd s GLU 33 N -1.39 3.80 -0.06 0.00 2.02 -1.26 -0.85 118.70 120.96 2khd s GLU 33 Ca -0.04 0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.22 2khd s GLU 33 Cb -0.09 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2khd s GLU 33 CO 0.01 0.42 -0.15 0.08 0.02 0.00 0.00 175.26 175.64 2khd s VAL 34 N -1.64 1.32 -0.12 2.63 1.01 0.62 -4.93 120.40 119.29 2khd s VAL 34 Ca 0.42 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2khd s VAL 34 Cb -0.13 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.11 2khd s VAL 34 CO 0.21 0.39 -0.14 -0.44 0.00 0.00 0.00 175.10 175.12 2khd s SER 35 N 0.34 2.50 -0.07 3.32 0.01 -1.26 -2.33 113.70 116.20 2khd s SER 35 Ca -0.10 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.78 2khd s SER 35 Cb -0.14 -1.09 -0.01 0.00 0.21 0.00 0.00 66.02 64.99 2khd s SER 35 CO 0.03 -0.03 -0.23 -0.22 0.41 0.00 0.00 173.24 173.20 2khd s LEU 36 N 1.26 2.05 0.13 2.44 2.96 -1.10 -4.95 118.68 121.46 2khd s LEU 36 Ca -0.01 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.31 2khd s LEU 36 Cb -0.14 -1.33 -0.06 0.00 0.50 0.00 0.00 46.19 45.16 2khd s LEU 36 CO -0.06 0.20 0.42 -0.36 -1.32 0.00 0.00 176.35 175.23 2khd s PHE 37 N 0.08 3.51 -0.01 5.38 0.08 -1.26 -1.15 117.98 124.61 2khd s PHE 37 Ca -0.10 0.73 0.00 0.00 0.12 0.00 0.00 56.93 57.68 2khd s PHE 37 Cb -0.15 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 2khd s PHE 37 CO 0.06 0.44 0.00 0.41 -0.10 0.00 0.00 175.22 176.03 2khd n GLY 38 N 0.41 -1.10 0.00 4.36 0.00 0.03 -4.96 105.19 103.94 2khd n GLY 38 Ca -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2khd n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2khd n SER 39 N 0.01 0.00 -4.54 1.61 3.41 -1.26 -4.28 113.62 108.57 2khd n SER 39 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2khd n SER 39 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 2khd n SER 39 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2khd s ASP 40 N -1.00 3.96 0.22 4.04 -4.77 -1.26 -3.73 116.67 114.13 2khd s ASP 40 Ca 0.00 0.25 -0.07 0.00 -3.30 0.00 0.00 52.55 49.42 2khd s ASP 40 Cb 0.00 -0.57 0.18 0.00 -1.09 0.00 0.00 42.92 41.44 2khd s ASP 40 CO 0.00 -2.17 1.79 0.50 0.70 0.00 0.00 175.17 175.99 2khd h LYS 41 N -1.08 1.20 -0.74 2.11 3.64 -1.61 -2.55 116.57 117.55 2khd h LYS 41 Ca -0.43 -0.20 0.07 0.00 -1.27 0.00 0.00 60.65 58.82 2khd h LYS 41 Cb 1.27 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 2khd h LYS 41 CO 0.47 0.96 0.42 0.00 -2.27 0.00 0.00 179.45 179.03 2khd h ALA 42 N 1.20 1.01 -0.39 5.00 0.00 -1.94 0.95 119.26 125.09 2khd h ALA 42 Ca 0.27 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2khd h ALA 42 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2khd h ALA 42 CO -0.03 0.08 -0.05 1.25 0.00 0.00 0.00 179.25 180.50 2khd h HIS 43 N 0.74 0.81 -0.72 0.00 -0.00 -1.87 -2.21 115.15 111.90 2khd h HIS 43 Ca 0.34 -0.16 -0.05 0.00 -0.00 0.00 0.00 60.37 60.49 2khd h HIS 43 Cb 0.25 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.42 2khd h HIS 43 CO -0.07 0.84 0.24 -0.07 -0.00 0.00 0.00 177.93 178.87 2khd h LEU 44 N 0.55 1.04 -1.00 0.26 3.38 -0.98 -2.54 115.31 116.02 2khd h LEU 44 Ca 0.11 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2khd h LEU 44 Cb 0.55 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2khd h LEU 44 CO 0.03 0.96 -0.02 -0.33 0.09 0.00 0.00 178.44 179.17 2khd h GLU 45 N 1.06 0.69 -0.71 1.13 5.08 -0.73 0.26 114.58 121.36 2khd h GLU 45 Ca 0.23 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2khd h GLU 45 Cb 0.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2khd h GLU 45 CO -0.01 0.73 0.42 0.78 -1.00 0.00 0.00 179.01 179.93 2khd h GLY 46 N 0.94 1.04 1.68 -3.84 0.00 -0.99 -1.67 103.07 100.23 2khd h GLY 46 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2khd h GLY 46 CO 0.02 0.43 -0.27 0.50 0.00 0.00 0.00 176.54 177.21 2khd h LYS 47 N 0.97 0.00 -0.64 4.80 1.57 -1.18 -3.29 116.57 118.80 2khd h LYS 47 Ca 0.25 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 2khd h LYS 47 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2khd h LYS 47 CO -0.05 0.00 0.09 1.25 -0.57 0.00 0.00 179.45 180.17 2khd h LEU 48 N 0.00 1.02 -2.02 2.94 5.85 0.47 -2.38 115.31 121.20 2khd h LEU 48 Ca 0.00 -0.25 0.14 0.00 0.84 0.00 0.00 57.88 58.62 2khd h LEU 48 Cb 0.86 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2khd h LEU 48 CO 0.00 1.02 0.40 0.00 -0.34 0.00 0.00 178.44 179.52 2khd h ALA 49 N 1.09 2.37 -0.42 1.25 0.00 -1.56 0.51 119.26 122.50 2khd h ALA 49 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2khd h ALA 49 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2khd h ALA 49 CO 0.01 -0.65 -0.04 0.93 0.00 0.00 0.00 179.25 179.50 2khd h GLU 50 N 0.00 0.77 -0.50 0.00 4.39 -1.63 -1.63 114.58 115.98 2khd h GLU 50 Ca 0.23 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2khd h GLU 50 Cb 1.02 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 2khd h GLU 50 CO -0.00 0.87 0.29 1.88 -1.16 0.00 0.00 179.01 180.89 2khd h TYR 51 N 0.60 0.67 -0.42 4.33 -1.99 -0.97 -1.89 116.97 117.31 2khd h TYR 51 Ca 0.11 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 2khd h TYR 51 Cb 0.55 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 2khd h TYR 51 CO 0.04 0.48 0.06 0.82 -0.00 0.00 0.00 178.16 179.57 2khd h ILE 52 N 0.67 1.24 0.16 -2.88 2.04 -1.37 0.82 117.51 118.19 2khd h ILE 52 Ca 0.18 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2khd h ILE 52 Cb 0.02 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2khd h ILE 52 CO -0.03 0.31 -0.08 -1.28 0.00 0.00 0.00 178.15 177.07 2khd h SER 53 N 0.56 -0.18 -0.45 1.72 0.87 -1.09 -2.28 113.55 112.71 2khd h SER 53 Ca 0.13 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 2khd h SER 53 Cb 0.38 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2khd h SER 53 CO 0.01 -0.08 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.12 2khd h LEU 54 N -0.26 0.86 -0.38 2.23 -0.00 -1.34 -2.71 115.31 113.71 2khd h LEU 54 Ca -0.02 -0.24 0.06 0.00 -0.00 0.00 0.00 57.88 57.68 2khd h LEU 54 Cb 0.21 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 40.58 2khd h LEU 54 CO 0.04 0.95 0.07 0.00 -0.00 0.00 0.00 178.44 179.50 2khd h ALA 55 N 1.14 0.40 -0.48 1.53 0.00 -0.59 0.50 119.26 121.76 2khd h ALA 55 Ca 0.15 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2khd h ALA 55 Cb 0.54 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2khd h ALA 55 CO 0.03 -0.33 0.04 0.87 0.00 0.00 0.00 179.25 179.87 2khd h LYS 56 N 0.20 0.81 -0.28 0.00 1.57 -1.31 0.18 116.57 117.74 2khd h LYS 56 Ca 0.18 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2khd h LYS 56 Cb 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2khd h LYS 56 CO -0.24 0.84 0.03 1.96 -0.57 0.00 0.00 179.45 181.47 2khd h GLN 57 N 0.67 0.48 -0.28 3.15 4.20 -1.09 -3.04 115.11 119.20 2khd h GLN 57 Ca 0.14 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2khd h GLN 57 Cb 0.44 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2khd h GLN 57 CO 0.02 0.61 0.05 0.28 -0.67 0.00 0.00 178.83 179.11 2khd h VAL 58 N 0.28 1.23 -3.22 -0.54 2.07 0.06 -3.41 116.25 112.72 2khd h VAL 58 Ca 0.08 -0.79 -0.49 0.00 0.82 0.00 0.00 66.70 66.33 2khd h VAL 58 Cb 0.37 1.20 -0.38 0.00 -1.52 0.00 0.00 31.29 30.97 2khd h VAL 58 CO 0.01 0.26 -0.79 -0.47 0.02 0.00 0.00 177.57 176.60 2khd s TYR 59 N -5.19 1.12 0.41 1.57 6.14 0.63 -5.08 117.35 116.94 2khd s TYR 59 Ca -0.13 -0.50 -0.25 0.00 0.64 0.00 0.00 57.07 56.82 2khd s TYR 59 Cb 0.08 -1.04 -0.08 0.00 0.42 0.00 0.00 41.96 41.34 2khd s TYR 59 CO 0.74 -0.44 1.17 0.00 0.64 0.00 0.00 175.55 177.66 2khd s ALA 60 N 1.83 3.13 -1.39 3.97 0.00 -1.16 -3.25 121.76 124.90 2khd s ALA 60 Ca 0.05 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 52.88 2khd s ALA 60 Cb -0.13 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.64 2khd s ALA 60 CO -0.07 -0.54 1.08 -1.71 0.00 0.00 0.00 175.76 174.53 2khd n ASN 61 N 0.01 -5.15 -4.75 0.00 2.85 -1.26 -4.93 115.26 102.02 2khd n ASN 61 Ca 0.05 -0.63 -0.40 0.00 -0.11 0.00 0.00 54.58 53.48 2khd n ASN 61 Cb 0.47 -4.67 -0.04 0.00 1.24 0.00 0.00 39.78 36.77 2khd n ASN 61 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2khd s VAL 62 N -3.34 3.52 -0.08 3.44 0.11 -1.20 -5.04 120.40 117.82 2khd s VAL 62 Ca 0.51 1.47 0.02 0.00 -2.93 0.00 0.00 61.98 61.04 2khd s VAL 62 Cb -0.23 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.66 2khd s VAL 62 CO 0.76 0.32 -0.11 -1.61 -3.33 0.00 0.00 175.10 171.14 2khd s GLU 63 N -1.17 2.81 0.12 1.54 0.41 -1.26 -4.98 118.70 116.17 2khd s GLU 63 Ca 0.46 -0.64 -0.12 0.00 -0.41 0.00 0.00 54.97 54.27 2khd s GLU 63 Cb -0.32 -2.52 0.01 0.00 -1.78 0.00 0.00 34.13 29.52 2khd s GLU 63 CO 0.40 0.54 0.29 1.52 -0.49 0.00 0.00 175.26 177.52 2khd s TYR 64 N -0.50 0.06 0.01 1.61 -0.85 -1.26 -0.48 117.35 115.94 2khd s TYR 64 Ca 0.07 -0.44 -0.04 0.00 -0.52 0.00 0.00 57.07 56.14 2khd s TYR 64 Cb -0.12 0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 2khd s TYR 64 CO 0.02 -0.64 0.06 -2.00 -1.52 0.00 0.00 175.55 171.47 2khd s GLU 65 N -3.86 0.36 -0.13 -3.49 2.56 -0.52 -4.98 118.70 108.63 2khd s GLU 65 Ca 0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 54.97 54.59 2khd s GLU 65 Cb 0.03 0.14 -0.02 0.00 2.00 0.00 0.00 34.13 36.28 2khd s GLU 65 CO -0.09 -0.07 -0.09 0.08 -0.56 0.00 0.00 175.26 174.53 2khd s VAL 66 N -1.24 3.47 0.56 3.70 1.01 -1.26 -0.95 120.40 125.68 2khd s VAL 66 Ca -0.13 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 2khd s VAL 66 Cb -0.08 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2khd s VAL 66 CO 0.00 0.52 0.95 0.00 0.00 0.00 0.00 175.10 176.57 2khd s ALA 67 N 0.25 3.19 0.08 5.51 0.00 -0.93 -4.97 121.76 124.89 2khd s ALA 67 Ca -0.06 -0.16 -0.36 0.00 0.00 0.00 0.00 51.96 51.38 2khd s ALA 67 Cb -0.15 -2.94 -0.15 0.00 0.00 0.00 0.00 23.12 19.88 2khd s ALA 67 CO 0.04 -0.50 1.49 -2.30 0.00 0.00 0.00 175.76 174.49 2khd n PRO 68 N -2.38 1.58 -4.45 0.00 -0.02 -1.26 -4.76 135.00 123.71 2khd n PRO 68 Ca 0.05 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 2khd n PRO 68 Cb 0.54 -2.28 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 2khd n PRO 68 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2khd s VAL 69 N 1.04 0.88 0.60 -1.45 1.01 -1.26 -4.93 120.40 116.29 2khd s VAL 69 Ca 0.84 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 2khd s VAL 69 Cb -0.84 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2khd s VAL 69 CO 0.45 0.27 1.12 0.00 0.00 0.00 0.00 175.10 176.94 2khd s ALA 70 N 0.21 2.58 0.33 5.51 0.00 -1.26 -4.92 121.76 124.21 2khd s ALA 70 Ca -0.04 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.65 2khd s ALA 70 Cb -0.09 -3.34 0.58 0.00 0.00 0.00 0.00 23.12 20.27 2khd s ALA 70 CO 0.01 -1.02 1.86 -0.44 0.00 0.00 0.00 175.76 176.17 2khd h ASP 71 N 0.62 0.49 -0.48 0.00 3.32 -2.00 -1.71 116.42 116.67 2khd h ASP 71 Ca -0.48 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2khd h ASP 71 Cb 1.25 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2khd h ASP 71 CO 0.55 0.58 0.00 -0.46 -1.72 0.00 0.00 179.24 178.19 2khd n ASN 72 N -4.26 3.96 -4.76 6.45 0.23 -1.26 -2.13 115.26 113.48 2khd n ASN 72 Ca 0.01 -2.44 -0.38 0.00 -0.53 0.00 0.00 54.58 51.24 2khd n ASN 72 Cb 0.26 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 2khd n ASN 72 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2khd s ALA 73 N -1.93 3.05 -2.65 -2.53 0.00 -0.64 -4.88 121.76 112.19 2khd s ALA 73 Ca 0.39 1.12 0.22 0.00 0.00 0.00 0.00 51.96 53.70 2khd s ALA 73 Cb 0.27 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 20.07 2khd s ALA 73 CO 0.17 -0.85 1.18 0.25 0.00 0.00 0.00 175.76 176.51 2khd n THR 74 N -0.35 0.00 -4.10 0.00 -2.24 -1.24 -4.16 114.28 102.19 2khd n THR 74 Ca 0.06 -0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 61.32 2khd n THR 74 Cb 0.46 1.43 -0.10 0.00 -2.10 0.00 0.00 70.33 70.01 2khd n THR 74 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2khd s GLU 75 N -1.98 0.64 -0.08 -0.78 2.02 -1.26 -0.79 118.70 116.47 2khd s GLU 75 Ca 0.25 -1.23 0.04 0.00 0.02 0.00 0.00 54.97 54.04 2khd s GLU 75 Cb 0.19 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2khd s GLU 75 CO 0.33 -0.10 -0.19 -1.17 0.02 0.00 0.00 175.26 174.15 2khd s LEU 76 N -2.93 1.91 -0.19 1.80 2.96 -0.30 -4.93 118.68 116.99 2khd s LEU 76 Ca 0.08 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2khd s LEU 76 Cb 0.08 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.59 2khd s LEU 76 CO -0.09 0.12 0.03 -1.00 -1.32 0.00 0.00 176.35 174.09 2khd s HIS 77 N 0.37 3.12 0.10 5.38 3.76 -1.26 -2.72 115.29 124.04 2khd s HIS 77 Ca -0.14 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 54.44 2khd s HIS 77 Cb -0.16 -2.09 0.01 0.00 1.11 0.00 0.00 32.58 31.45 2khd s HIS 77 CO 0.06 -0.07 0.27 0.00 -0.85 0.00 0.00 174.74 174.14 2khd s ALA 78 N 0.76 -0.49 0.01 -1.40 0.00 -0.98 -2.18 121.76 117.48 2khd s ALA 78 Ca 0.02 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.64 2khd s ALA 78 Cb -0.14 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2khd s ALA 78 CO 0.02 -0.55 -0.17 1.03 0.00 0.00 0.00 175.76 176.09 2khd s ARG 79 N -3.78 1.24 0.08 0.00 0.52 -0.12 -0.28 118.95 116.62 2khd s ARG 79 Ca 0.04 -0.70 0.07 0.00 -0.52 0.00 0.00 55.73 54.61 2khd s ARG 79 Cb 0.04 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.23 2khd s ARG 79 CO -0.11 0.33 -0.17 -0.06 0.02 0.00 0.00 175.30 175.31 2khd s PHE 80 N -0.58 1.50 -0.11 -0.53 0.40 -0.03 -1.44 117.98 117.18 2khd s PHE 80 Ca 0.05 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.95 2khd s PHE 80 Cb -0.07 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 2khd s PHE 80 CO 0.00 0.12 -0.09 0.21 0.70 0.00 0.00 175.22 176.17 2khd s LYS 81 N -1.75 3.23 0.00 0.44 2.20 0.37 -0.52 119.74 123.71 2khd s LYS 81 Ca 0.02 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 2khd s LYS 81 Cb -0.10 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 2khd s LYS 81 CO 0.03 0.37 0.00 1.19 -0.36 0.00 0.00 175.35 176.58 2khd n PHE 82 N 3.09 0.00 0.00 4.03 3.72 -1.04 -4.18 117.46 123.09 2khd n PHE 82 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2khd n PHE 82 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 2khd n PHE 82 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2khd n GLU 83 N 0.00 0.00 -4.17 -1.08 2.13 -1.26 -4.94 120.64 111.32 2khd n GLU 83 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 2khd n GLU 83 Cb 0.00 -0.25 -0.10 0.00 0.27 0.00 0.00 31.44 31.35 2khd n GLU 83 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2khd s VAL 84 N -1.00 0.75 -0.40 6.31 -7.23 -1.26 -5.01 120.40 112.57 2khd s VAL 84 Ca 0.00 -1.81 0.27 0.00 -1.81 0.00 0.00 61.98 58.62 2khd s VAL 84 Cb 0.00 -1.54 0.31 0.00 0.56 0.00 0.00 36.38 35.71 2khd s VAL 84 CO 0.00 -0.77 1.78 0.77 -0.31 0.00 0.00 175.10 176.57 2khd h SER 85 N 3.20 0.00 -0.59 4.85 4.64 -2.00 -3.11 113.55 120.54 2khd h SER 85 Ca -0.36 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 2khd h SER 85 Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 2khd h SER 85 CO 0.60 0.00 0.17 0.00 -0.87 0.00 0.00 176.83 176.73 2khd h ALA 86 N 2.23 1.12 -0.25 5.18 0.00 -2.00 -2.25 119.26 123.28 2khd h ALA 86 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2khd h ALA 86 Cb 0.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2khd h ALA 86 CO 0.00 0.60 -0.30 0.93 0.00 0.00 0.00 179.25 180.47 2khd h GLU 87 N 0.93 0.51 -0.49 0.00 5.08 -1.98 -2.58 114.58 116.06 2khd h GLU 87 Ca 0.20 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2khd h GLU 87 Cb 0.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2khd h GLU 87 CO -0.00 0.76 0.25 -0.22 -1.00 0.00 0.00 179.01 178.80 2khd h LYS 88 N 0.44 0.69 0.01 2.33 1.63 -1.52 0.55 116.57 120.71 2khd h LYS 88 Ca 0.06 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2khd h LYS 88 Cb 0.75 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 2khd h LYS 88 CO 0.06 0.56 -0.01 1.25 -3.45 0.00 0.00 179.45 177.86 2khd h LEU 89 N 0.65 -0.02 -0.41 5.20 5.85 -1.25 -0.02 115.31 125.32 2khd h LEU 89 Ca 0.17 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2khd h LEU 89 Cb 0.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2khd h LEU 89 CO -0.02 0.09 -0.03 0.40 -0.34 0.00 0.00 178.44 178.53 2khd h ILE 90 N -0.12 1.27 -0.41 4.05 2.04 -1.30 -0.63 117.51 122.40 2khd h ILE 90 Ca -0.00 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.79 2khd h ILE 90 Cb 0.12 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2khd h ILE 90 CO 0.00 0.37 0.26 0.15 0.00 0.00 0.00 178.15 178.92 2khd h PHE 91 N 0.57 0.48 -0.50 1.37 3.57 0.24 0.29 116.94 122.97 2khd h PHE 91 Ca 0.11 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 2khd h PHE 91 Cb 0.53 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2khd h PHE 91 CO 0.04 0.29 -0.07 1.49 -2.23 0.00 0.00 178.31 177.83 2khd h GLU 92 N 0.52 0.93 -0.18 1.11 4.22 -0.91 -0.21 114.58 120.07 2khd h GLU 92 Ca 0.16 -0.34 -0.01 0.00 0.08 0.00 0.00 59.36 59.25 2khd h GLU 92 Cb -0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2khd h GLU 92 CO -0.06 0.99 0.06 1.25 -2.18 0.00 0.00 179.01 179.07 2khd h LEU 93 N 0.79 0.25 -0.45 1.64 7.12 -0.60 0.42 115.31 124.49 2khd h LEU 93 Ca 0.13 -0.20 -0.05 0.00 0.13 0.00 0.00 57.88 57.90 2khd h LEU 93 Cb 0.62 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 2khd h LEU 93 CO 0.04 0.38 0.08 0.11 -0.13 0.00 0.00 178.44 178.92 2khd h LYS 94 N 0.11 0.73 -0.24 1.25 1.57 -0.36 -1.53 116.57 118.11 2khd h LYS 94 Ca 0.06 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 2khd h LYS 94 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2khd h LYS 94 CO -0.00 0.75 -0.37 1.79 -0.57 0.00 0.00 179.45 181.05 2khd h THR 95 N 0.60 1.29 -0.51 -0.16 1.35 -0.91 -2.56 112.91 112.01 2khd h THR 95 Ca 0.14 -1.51 -0.05 0.00 -0.55 0.00 0.00 66.41 64.43 2khd h THR 95 Cb 0.37 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 2khd h THR 95 CO 0.01 0.48 0.12 -0.09 -0.25 0.00 0.00 175.52 175.78 2khd h ARG 96 N 0.45 0.82 -0.82 4.72 2.43 0.09 -1.48 114.38 120.58 2khd h ARG 96 Ca 0.05 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 2khd h ARG 96 Cb 0.86 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 2khd h ARG 96 CO 0.07 0.79 0.41 0.00 -1.51 0.00 0.00 179.97 179.72 2khd h ALA 97 N 0.99 1.06 -0.69 2.80 0.00 -1.14 0.39 119.26 122.67 2khd h ALA 97 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2khd h ALA 97 Cb 0.34 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2khd h ALA 97 CO 0.00 0.61 0.19 -0.07 0.00 0.00 0.00 179.25 179.99 2khd h LEU 98 N 1.16 1.02 -0.11 0.00 3.38 -1.16 -1.64 115.31 117.96 2khd h LEU 98 Ca 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2khd h LEU 98 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2khd h LEU 98 CO -0.04 0.97 -0.10 0.00 0.09 0.00 0.00 178.44 179.37 2khd n ALA 99 N -2.43 2.68 0.50 1.53 0.00 -0.58 -3.10 120.51 119.11 2khd n ALA 99 Ca 0.05 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.40 2khd n ALA 99 Cb 0.24 -1.38 0.21 0.00 0.00 0.00 0.00 19.45 18.51 2khd n ALA 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2khd h ARG 100 N 0.26 0.00 -4.44 0.00 2.43 0.74 -3.50 114.38 109.87 2khd h ARG 100 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2khd h ARG 100 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2khd h ARG 100 CO 0.00 0.00 -0.98 1.28 -1.51 0.00 0.00 179.97 178.76 2khd n LEU 101 N -2.30 -6.18 -4.74 3.80 7.99 -1.09 -4.80 117.00 109.68 2khd n LEU 101 Ca 0.04 3.38 -0.42 0.00 -0.01 0.00 0.00 56.01 59.00 2khd n LEU 101 Cb 0.46 -3.23 -0.02 0.00 -0.11 0.00 0.00 43.42 40.52 2khd n LEU 101 CO 0.35 -1.64 1.30 -1.83 -1.51 0.00 0.00 177.39 174.06 2khd s GLU 102 N -0.74 4.12 0.00 3.23 -1.05 -1.26 -4.95 118.70 118.05 2khd s GLU 102 Ca 0.00 2.60 0.00 0.00 -0.15 0.00 0.00 54.97 57.42 2khd s GLU 102 Cb 0.00 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.65 2khd s GLU 102 CO 0.00 -0.69 0.00 1.58 0.95 0.00 0.00 175.26 177.10 2khd n HIS 103 N 2.90 0.00 -0.51 4.83 -0.00 -1.26 -5.03 115.22 116.15 2khd n HIS 103 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 2khd n HIS 103 Cb 0.36 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 2khd n HIS 103 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2khd n HIS 104 N -1.77 -0.03 -3.89 1.57 -0.00 -1.26 -4.87 115.22 104.96 2khd n HIS 104 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 2khd n HIS 104 Cb 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 29.99 29.94 2khd n HIS 104 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2khd s HIS 105 N 0.00 0.23 0.07 1.57 -3.43 -1.26 -5.13 115.29 107.33 2khd s HIS 105 Ca 0.00 -0.58 -0.30 0.00 -0.80 0.00 0.00 55.06 53.37 2khd s HIS 105 Cb 0.00 0.10 -0.05 0.00 -1.43 0.00 0.00 32.58 31.19 2khd s HIS 105 CO 0.00 -0.79 1.12 -1.58 -2.00 0.00 0.00 174.74 171.49 2khd s HIS 106 N -3.94 3.53 0.14 0.38 2.46 -1.26 -5.02 115.29 111.58 2khd s HIS 106 Ca 0.15 1.46 -0.12 0.00 0.47 0.00 0.00 55.06 57.01 2khd s HIS 106 Cb 0.02 -3.32 0.01 0.00 -0.13 0.00 0.00 32.58 29.16 2khd s HIS 106 CO -0.01 -0.82 0.34 -3.38 -2.47 0.00 0.00 174.74 168.40 2khd s HIS 107 N 0.75 0.07 0.00 3.88 -3.43 -1.26 -5.34 115.29 109.95 2khd s HIS 107 Ca 0.55 -0.44 0.00 0.00 -0.80 0.00 0.00 55.06 54.37 2khd s HIS 107 Cb -0.27 0.11 0.00 0.00 -1.43 0.00 0.00 32.58 30.99 2khd s HIS 107 CO 0.30 -0.71 0.00 -2.39 -2.00 0.00 0.00 174.74 169.94