#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khd h SER 2 N 0.00 0.35 -0.71 6.12 4.64 -2.05 -2.42 113.55 119.48 2khd h SER 2 Ca 0.00 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 2khd h SER 2 Cb 0.00 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 2khd h SER 2 CO 0.00 0.45 0.19 0.78 -0.87 0.00 0.00 176.83 177.38 2khd h ASN 3 N 0.36 1.07 -3.16 4.97 2.35 -2.08 -3.40 115.58 115.70 2khd h ASN 3 Ca 0.08 -0.22 -0.58 0.00 -0.55 0.00 0.00 56.30 55.03 2khd h ASN 3 Cb 0.32 -0.28 -0.07 0.00 0.05 0.00 0.00 38.32 38.34 2khd h ASN 3 CO 0.01 1.01 0.71 -1.10 -1.65 0.00 0.00 177.43 176.41 2khd s GLN 4 N -5.34 4.22 -0.00 0.81 -0.21 -0.91 -4.87 119.66 113.36 2khd s GLN 4 Ca -0.12 1.22 0.19 0.00 0.02 0.00 0.00 55.36 56.67 2khd s GLN 4 Cb 0.15 -3.65 -0.22 0.00 1.00 0.00 0.00 33.01 30.30 2khd s GLN 4 CO 0.84 -0.62 0.80 0.25 -2.12 0.00 0.00 175.29 174.45 2khd n THR 5 N 5.34 0.00 1.02 -0.19 -2.24 -1.26 -4.14 114.28 112.81 2khd n THR 5 Ca 0.10 -0.07 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 2khd n THR 5 Cb 0.47 0.94 0.31 0.00 -2.10 0.00 0.00 70.33 69.95 2khd n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2khd s VAL 7 N -1.69 2.88 0.00 0.00 0.11 -1.26 -4.98 120.40 115.46 2khd s VAL 7 Ca 0.32 0.78 0.00 0.00 -2.93 0.00 0.00 61.98 60.14 2khd s VAL 7 Cb 0.17 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 2khd s VAL 7 CO 0.25 0.14 0.00 -1.84 -3.33 0.00 0.00 175.10 170.32 2khd n GLU 8 N 1.91 0.00 0.00 1.54 0.28 -1.26 -5.16 120.64 117.96 2khd n GLU 8 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 2khd n GLU 8 Cb 0.42 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.29 2khd n GLU 8 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2khd n ASN 9 N 0.00 0.00 -3.26 -1.84 3.02 -1.26 -4.90 115.26 107.02 2khd n ASN 9 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 2khd n ASN 9 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 2khd n ASN 9 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2khd n GLU 10 N 0.00 -1.85 -5.14 3.52 2.13 -1.26 -4.97 120.64 113.07 2khd n GLU 10 Ca 0.00 1.56 -0.32 0.00 0.66 0.00 0.00 57.16 59.06 2khd n GLU 10 Cb 0.00 -2.85 -0.16 0.00 0.27 0.00 0.00 31.44 28.70 2khd n GLU 10 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2khd s VAL 11 N -1.64 2.29 -0.83 6.31 1.01 -1.26 -4.63 120.40 121.65 2khd s VAL 11 Ca 0.27 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2khd s VAL 11 Cb -0.04 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2khd s VAL 11 CO 0.70 0.56 0.00 0.00 0.00 0.00 0.00 175.10 176.36 2khd n GLU 13 N -1.83 0.00 -3.13 0.00 -0.58 -1.26 -4.82 120.64 109.02 2khd n GLU 13 Ca -0.09 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.47 2khd n GLU 13 Cb 0.35 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.23 2khd n GLU 13 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2khd n ALA 14 N 5.78 -2.67 -2.52 0.62 0.00 -1.26 -4.95 120.51 115.51 2khd n ALA 14 Ca 0.00 0.63 -0.37 0.00 0.00 0.00 0.00 53.44 53.71 2khd n ALA 14 Cb 0.00 -2.47 -0.06 0.00 0.00 0.00 0.00 19.45 16.92 2khd n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khd n GLY 16 N 1.46 2.90 0.33 0.00 0.00 -1.26 -4.36 105.19 104.26 2khd n GLY 16 Ca -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 2khd n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khd s ALA 18 N -5.57 3.45 -1.62 0.00 0.00 -1.26 -4.90 121.76 111.86 2khd s ALA 18 Ca -0.11 1.38 0.26 0.00 0.00 0.00 0.00 51.96 53.49 2khd s ALA 18 Cb 0.17 -3.54 0.62 0.00 0.00 0.00 0.00 23.12 20.38 2khd s ALA 18 CO 0.79 -0.87 1.48 0.41 0.00 0.00 0.00 175.76 177.57 2khd n GLY 19 N 0.63 -0.68 1.67 0.00 0.00 -1.26 -4.90 105.19 100.65 2khd n GLY 19 Ca 0.02 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 2khd n GLY 19 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2khd n GLU 20 N -0.77 -1.26 -1.69 1.61 4.07 -1.26 -4.27 120.64 117.07 2khd n GLU 20 Ca 0.11 0.47 0.00 0.00 -0.06 0.00 0.00 57.16 57.67 2khd n GLU 20 Cb 0.35 -4.65 0.00 0.00 -0.06 0.00 0.00 31.44 27.09 2khd n GLU 20 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2khd n ILE 21 N -1.63 -5.29 -0.91 6.31 5.41 -1.26 -4.95 119.36 117.03 2khd n ILE 21 Ca -0.08 2.43 -0.12 0.00 1.00 0.00 0.00 62.75 65.97 2khd n ILE 21 Cb 0.28 -3.34 0.10 0.00 -0.71 0.00 0.00 39.64 35.97 2khd n ILE 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2khd n GLY 22 N -0.86 -2.21 3.73 7.39 0.00 -1.26 -4.99 105.19 106.98 2khd n GLY 22 Ca 0.00 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 2khd n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2khd s PHE 23 N -1.93 3.62 0.12 1.61 0.08 -1.26 -4.96 117.98 115.25 2khd s PHE 23 Ca 0.30 1.29 -0.13 0.00 0.12 0.00 0.00 56.93 58.51 2khd s PHE 23 Cb -0.02 -2.80 -0.06 0.00 -0.57 0.00 0.00 43.02 39.57 2khd s PHE 23 CO 0.22 0.14 1.46 0.82 -0.10 0.00 0.00 175.22 177.76 2khd h ILE 24 N 4.60 1.29 -0.69 0.64 1.08 -2.01 -3.12 117.51 119.29 2khd h ILE 24 Ca -0.42 -1.44 -0.02 0.00 -0.39 0.00 0.00 64.86 62.59 2khd h ILE 24 Cb 1.20 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 36.36 2khd h ILE 24 CO 0.74 0.47 0.37 0.40 -0.69 0.00 0.00 178.15 179.45 2khd h ILE 25 N 0.58 1.22 -4.46 -0.67 1.08 -1.99 -3.48 117.51 109.78 2khd h ILE 25 Ca 0.06 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2khd h ILE 25 Cb 0.86 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 2khd h ILE 25 CO 0.07 0.24 -0.99 0.54 -0.69 0.00 0.00 178.15 177.33 2khd n ARG 26 N -4.49 -5.77 -1.97 2.37 1.74 -1.18 -4.83 116.66 102.53 2khd n ARG 26 Ca 0.06 4.07 -0.41 0.00 -0.77 0.00 0.00 57.85 60.80 2khd n ARG 26 Cb 0.10 -4.41 -0.02 0.00 -1.02 0.00 0.00 32.46 27.11 2khd n ARG 26 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2khd s GLU 27 N -0.71 4.24 0.00 5.56 2.02 -1.26 -4.39 118.70 124.16 2khd s GLU 27 Ca 0.00 2.37 0.00 0.00 0.02 0.00 0.00 54.97 57.36 2khd s GLU 27 Cb 0.00 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2khd s GLU 27 CO 0.00 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2khd n GLY 28 N 1.41 0.49 0.00 -1.39 0.00 -1.26 -5.14 105.19 99.31 2khd n GLY 28 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2khd n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2khd n ASP 29 N 0.00 -0.82 -4.56 1.61 8.00 -1.26 -4.86 116.55 114.67 2khd n ASP 29 Ca 0.00 -0.46 -0.37 0.00 0.71 0.00 0.00 54.79 54.67 2khd n ASP 29 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2khd n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2khd s ASP 30 N -1.47 5.87 0.04 -2.24 1.01 -1.26 -4.95 116.67 113.67 2khd s ASP 30 Ca 0.00 -0.69 0.08 0.00 0.71 0.00 0.00 52.55 52.64 2khd s ASP 30 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 2khd s ASP 30 CO 0.00 -2.04 -0.23 0.54 0.21 0.00 0.00 175.17 173.65 2khd s VAL 31 N 7.12 1.82 0.20 -1.27 0.11 -1.26 -2.33 120.40 124.79 2khd s VAL 31 Ca 0.53 -1.26 0.10 0.00 -2.93 0.00 0.00 61.98 58.42 2khd s VAL 31 Cb -0.06 -1.57 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 2khd s VAL 31 CO 0.04 0.26 -0.15 0.00 -3.33 0.00 0.00 175.10 171.93 2khd s ALA 32 N -0.80 2.81 -0.11 1.54 0.00 0.62 -4.96 121.76 120.86 2khd s ALA 32 Ca 0.09 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 50.44 2khd s ALA 32 Cb -0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 2khd s ALA 32 CO 0.02 0.42 -0.02 -1.21 0.00 0.00 0.00 175.76 174.96 2khd s GLU 33 N -2.93 3.22 -0.05 0.00 0.41 -1.26 -2.32 118.70 115.77 2khd s GLU 33 Ca 0.25 -0.47 0.04 0.00 -0.41 0.00 0.00 54.97 54.37 2khd s GLU 33 Cb -0.08 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 2khd s GLU 33 CO 0.14 0.52 -0.15 0.08 -0.49 0.00 0.00 175.26 175.35 2khd s VAL 34 N -0.38 1.30 -0.06 2.63 1.01 -0.41 -5.00 120.40 119.49 2khd s VAL 34 Ca 0.07 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2khd s VAL 34 Cb -0.12 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.16 2khd s VAL 34 CO 0.02 0.38 0.01 -0.94 0.00 0.00 0.00 175.10 174.57 2khd s SER 35 N 0.17 1.25 0.02 3.32 1.04 -1.26 -2.05 113.70 116.20 2khd s SER 35 Ca -0.06 -0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.40 2khd s SER 35 Cb -0.12 -0.35 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 2khd s SER 35 CO 0.02 -0.18 -0.21 -0.22 0.98 0.00 0.00 173.24 173.63 2khd s LEU 36 N 1.77 2.40 0.01 2.42 2.96 -1.01 -4.97 118.68 122.26 2khd s LEU 36 Ca 0.01 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 2khd s LEU 36 Cb -0.13 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2khd s LEU 36 CO -0.04 0.28 0.05 -0.36 -1.32 0.00 0.00 176.35 174.96 2khd s PHE 37 N -0.82 3.19 0.04 5.38 0.08 -1.26 -1.78 117.98 122.81 2khd s PHE 37 Ca 0.13 0.15 -0.27 0.00 0.12 0.00 0.00 56.93 57.05 2khd s PHE 37 Cb -0.10 -1.70 0.10 0.00 -0.57 0.00 0.00 43.02 40.75 2khd s PHE 37 CO 0.03 0.51 1.20 0.20 -0.10 0.00 0.00 175.22 177.07 2khd s GLY 38 N -1.73 -0.18 0.00 4.36 0.00 -0.53 -4.94 107.32 104.29 2khd s GLY 38 Ca 0.22 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.13 2khd s GLY 38 CO 0.13 2.55 0.00 -1.14 0.00 0.00 0.00 173.10 174.64 2khd n SER 39 N -0.85 0.00 -4.91 1.64 3.41 -1.26 -4.37 113.62 107.28 2khd n SER 39 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.30 2khd n SER 39 Cb 0.60 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.63 2khd n SER 39 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2khd s ASP 40 N -1.00 4.82 0.23 4.04 1.01 -1.26 -4.03 116.67 120.49 2khd s ASP 40 Ca 0.00 0.72 -0.05 0.00 0.71 0.00 0.00 52.55 53.93 2khd s ASP 40 Cb 0.00 -1.34 0.23 0.00 1.01 0.00 0.00 42.92 42.82 2khd s ASP 40 CO 0.00 -1.66 1.77 0.50 0.21 0.00 0.00 175.17 175.99 2khd h LYS 41 N -0.79 1.03 -0.96 8.23 3.64 -1.58 -2.74 116.57 123.41 2khd h LYS 41 Ca -0.45 -0.22 0.09 0.00 -1.27 0.00 0.00 60.65 58.80 2khd h LYS 41 Cb 1.31 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 2khd h LYS 41 CO 0.63 0.90 0.62 0.00 -2.27 0.00 0.00 179.45 179.33 2khd h ALA 42 N 1.20 1.53 -0.28 5.00 0.00 -1.94 0.78 119.26 125.56 2khd h ALA 42 Ca 0.21 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2khd h ALA 42 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2khd h ALA 42 CO -0.00 0.28 -0.03 1.25 0.00 0.00 0.00 179.25 180.74 2khd h HIS 43 N 1.01 0.57 -0.59 0.00 -0.00 -1.87 -1.63 115.15 112.63 2khd h HIS 43 Ca 0.44 -0.11 -0.06 0.00 -0.00 0.00 0.00 60.37 60.64 2khd h HIS 43 Cb 0.36 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 2khd h HIS 43 CO -0.00 0.69 0.14 -0.07 -0.00 0.00 0.00 177.93 178.68 2khd h LEU 44 N 0.28 0.91 -0.90 0.26 3.38 -1.22 -2.71 115.31 115.31 2khd h LEU 44 Ca 0.07 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2khd h LEU 44 Cb 0.48 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2khd h LEU 44 CO 0.02 0.91 0.18 -0.33 0.09 0.00 0.00 178.44 179.31 2khd h GLU 45 N 0.86 0.99 0.33 1.13 4.39 -0.81 0.52 114.58 121.99 2khd h GLU 45 Ca 0.19 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2khd h GLU 45 Cb 0.36 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2khd h GLU 45 CO 0.00 0.86 -0.25 0.78 -1.16 0.00 0.00 179.01 179.24 2khd h GLY 46 N 1.04 -0.62 1.29 -3.84 0.00 -0.99 -2.52 103.07 97.44 2khd h GLY 46 Ca 0.21 0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.73 2khd h GLY 46 CO -0.00 -0.24 -0.08 0.50 0.00 0.00 0.00 176.54 176.72 2khd h LYS 47 N -0.59 0.85 -1.02 4.80 1.57 -1.39 -2.71 116.57 118.07 2khd h LYS 47 Ca -0.03 -0.27 0.26 0.00 -1.87 0.00 0.00 60.65 58.74 2khd h LYS 47 Cb 0.51 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 2khd h LYS 47 CO -0.01 0.90 0.66 1.25 -0.57 0.00 0.00 179.45 181.68 2khd h LEU 48 N 0.77 0.44 -1.00 2.94 5.85 -0.50 0.33 115.31 124.14 2khd h LEU 48 Ca 0.13 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.04 2khd h LEU 48 Cb 0.57 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 2khd h LEU 48 CO 0.03 0.10 0.63 0.00 -0.34 0.00 0.00 178.44 178.87 2khd h ALA 49 N 1.61 1.49 -0.52 1.25 0.00 -1.11 -0.93 119.26 121.04 2khd h ALA 49 Ca 0.58 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.39 2khd h ALA 49 Cb 1.46 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2khd h ALA 49 CO -0.28 0.26 -0.12 0.93 0.00 0.00 0.00 179.25 180.04 2khd h GLU 50 N 1.02 0.99 -0.24 0.00 5.08 -0.49 -1.47 114.58 119.47 2khd h GLU 50 Ca 0.49 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2khd h GLU 50 Cb 0.44 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2khd h GLU 50 CO -0.25 1.04 0.13 1.88 -1.00 0.00 0.00 179.01 180.81 2khd h TYR 51 N 0.88 0.32 -0.42 4.33 -1.99 -1.03 -1.19 116.97 117.86 2khd h TYR 51 Ca 0.13 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.79 2khd h TYR 51 Cb 0.68 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 2khd h TYR 51 CO 0.04 0.28 0.00 0.82 -0.00 0.00 0.00 178.16 179.31 2khd h ILE 52 N 0.27 1.26 -0.70 -2.88 2.04 -1.27 -1.76 117.51 114.47 2khd h ILE 52 Ca 0.08 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 64.95 2khd h ILE 52 Cb 0.07 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2khd h ILE 52 CO -0.01 0.35 0.45 0.77 0.00 0.00 0.00 178.15 179.70 2khd h SER 53 N 0.59 0.74 -0.68 1.72 4.64 -1.07 -1.60 113.55 117.88 2khd h SER 53 Ca 0.12 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 2khd h SER 53 Cb 0.48 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 2khd h SER 53 CO 0.02 0.52 0.13 -0.07 -0.87 0.00 0.00 176.83 176.56 2khd h LEU 54 N 0.88 1.07 -0.76 5.97 3.38 -1.07 -2.20 115.31 122.58 2khd h LEU 54 Ca 0.28 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2khd h LEU 54 Cb -0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 2khd h LEU 54 CO -0.10 1.05 0.48 0.00 0.09 0.00 0.00 178.44 179.96 2khd h ALA 55 N 1.08 1.00 -0.33 1.53 0.00 -0.48 0.25 119.26 122.31 2khd h ALA 55 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2khd h ALA 55 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2khd h ALA 55 CO 0.01 0.27 0.07 0.87 0.00 0.00 0.00 179.25 180.47 2khd h LYS 56 N 0.93 0.53 -0.46 0.00 1.57 -1.02 0.91 116.57 119.03 2khd h LYS 56 Ca 0.31 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2khd h LYS 56 Cb 0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2khd h LYS 56 CO -0.11 0.61 0.17 1.96 -0.57 0.00 0.00 179.45 181.51 2khd h GLN 57 N 0.37 0.70 -0.31 3.15 1.08 -0.83 -2.93 115.11 116.34 2khd h GLN 57 Ca 0.10 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2khd h GLN 57 Cb 0.32 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 2khd h GLN 57 CO 0.00 0.65 0.05 0.28 -0.95 0.00 0.00 178.83 178.86 2khd h VAL 58 N 0.61 1.23 -3.29 -0.54 2.07 -0.38 -3.42 116.25 112.53 2khd h VAL 58 Ca 0.15 -0.81 -0.36 0.00 0.82 0.00 0.00 66.70 66.50 2khd h VAL 58 Cb 0.22 1.16 -0.39 0.00 -1.52 0.00 0.00 31.29 30.76 2khd h VAL 58 CO -0.01 0.27 -0.73 -0.47 0.02 0.00 0.00 177.57 176.64 2khd s TYR 59 N -5.18 0.04 0.52 1.57 5.04 0.30 -5.08 117.35 114.55 2khd s TYR 59 Ca -0.13 0.29 -0.21 0.00 -2.44 0.00 0.00 57.07 54.57 2khd s TYR 59 Cb 0.09 -0.46 -0.06 0.00 0.35 0.00 0.00 41.96 41.87 2khd s TYR 59 CO 0.75 -0.20 1.18 0.00 -1.34 0.00 0.00 175.55 175.95 2khd s ALA 60 N 2.17 2.80 -1.36 3.97 0.00 -1.15 -3.21 121.76 124.98 2khd s ALA 60 Ca 0.05 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 2khd s ALA 60 Cb -0.12 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.61 2khd s ALA 60 CO -0.03 -0.85 1.16 -1.71 0.00 0.00 0.00 175.76 174.33 2khd n ASN 61 N -0.97 -5.97 -4.76 0.00 2.85 -1.26 -4.94 115.26 100.21 2khd n ASN 61 Ca 0.10 -0.57 -0.40 0.00 -0.11 0.00 0.00 54.58 53.60 2khd n ASN 61 Cb 0.49 -4.95 -0.04 0.00 1.24 0.00 0.00 39.78 36.52 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 -3.32 3.56 -0.09 3.44 0.11 -1.20 -5.03 120.40 117.86 2khd s VAL 62 Ca 0.55 1.55 -0.01 0.00 -2.93 0.00 0.00 61.98 61.15 2khd s VAL 62 Cb -0.25 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 2khd s VAL 62 CO 0.74 0.36 -0.06 -1.61 -3.33 0.00 0.00 175.10 171.20 2khd s GLU 63 N -1.33 3.03 0.14 1.54 8.01 -1.26 -5.00 118.70 123.83 2khd s GLU 63 Ca 0.45 -0.53 -0.10 0.00 0.01 0.00 0.00 54.97 54.79 2khd s GLU 63 Cb -0.31 -2.69 0.00 0.00 -4.31 0.00 0.00 34.13 26.81 2khd s GLU 63 CO 0.40 0.55 0.29 1.52 0.01 0.00 0.00 175.26 178.03 2khd s TYR 64 N -0.49 0.23 0.00 1.61 1.13 -1.26 -2.08 117.35 116.50 2khd s TYR 64 Ca 0.07 -0.61 -0.03 0.00 -1.41 0.00 0.00 57.07 55.10 2khd s TYR 64 Cb -0.12 0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.74 2khd s TYR 64 CO 0.02 -0.69 0.05 -2.00 -2.51 0.00 0.00 175.55 170.42 2khd s GLU 65 N -3.92 0.32 -0.10 -3.49 2.12 -0.98 -4.99 118.70 107.66 2khd s GLU 65 Ca 0.12 -0.39 0.04 0.00 0.36 0.00 0.00 54.97 55.10 2khd s GLU 65 Cb 0.03 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.55 2khd s GLU 65 CO -0.04 -0.06 -0.24 0.08 -0.54 0.00 0.00 175.26 174.46 2khd s VAL 66 N -1.11 2.05 0.53 3.70 1.01 -1.26 -1.53 120.40 123.78 2khd s VAL 66 Ca -0.12 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 2khd s VAL 66 Cb -0.07 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.47 2khd s VAL 66 CO 0.00 0.56 1.03 0.00 0.00 0.00 0.00 175.10 176.69 2khd s ALA 67 N 0.33 2.86 0.05 5.51 0.00 -1.02 -4.93 121.76 124.57 2khd s ALA 67 Ca -0.18 0.46 -0.37 0.00 0.00 0.00 0.00 51.96 51.86 2khd s ALA 67 Cb -0.18 -3.22 -0.19 0.00 0.00 0.00 0.00 23.12 19.54 2khd s ALA 67 CO 0.09 -0.46 1.08 -2.30 0.00 0.00 0.00 175.76 174.17 2khd n PRO 68 N -1.42 0.34 -4.85 0.00 -0.02 -1.26 -4.74 135.00 123.06 2khd n PRO 68 Ca 0.09 0.12 -0.27 0.00 -2.02 0.00 0.00 63.50 61.41 2khd n PRO 68 Cb 0.53 -1.60 -0.17 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.02 1.50 0.59 -1.45 1.01 -1.26 -4.94 120.40 115.83 2khd s VAL 69 Ca 0.85 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 2khd s VAL 69 Cb -1.13 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2khd s VAL 69 CO 0.54 0.43 1.03 0.00 0.00 0.00 0.00 175.10 177.11 2khd s ALA 70 N 0.42 2.88 0.27 5.51 0.00 -1.26 -4.94 121.76 124.64 2khd s ALA 70 Ca -0.13 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 2khd s ALA 70 Cb -0.16 -3.16 0.36 0.00 0.00 0.00 0.00 23.12 20.16 2khd s ALA 70 CO 0.05 -0.69 1.84 0.22 0.00 0.00 0.00 175.76 177.18 2khd h ASP 71 N 0.27 0.87 -0.50 0.00 1.82 -2.00 -1.52 116.42 115.35 2khd h ASP 71 Ca -0.46 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 2khd h ASP 71 Cb 1.20 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.99 2khd h ASP 71 CO 0.59 0.79 0.00 0.59 -1.61 0.00 0.00 179.24 179.61 2khd n ASN 72 N -4.29 3.32 -4.77 2.28 5.03 -1.26 -2.23 115.26 113.33 2khd n ASN 72 Ca 0.05 -2.20 -0.40 0.00 0.87 0.00 0.00 54.58 52.90 2khd n ASN 72 Cb 0.19 -0.44 0.01 0.00 -1.02 0.00 0.00 39.78 38.52 2khd n ASN 72 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2khd s ALA 73 N -1.59 3.36 -2.26 5.41 0.00 -0.57 -4.87 121.76 121.24 2khd s ALA 73 Ca 0.37 1.53 0.18 0.00 0.00 0.00 0.00 51.96 54.04 2khd s ALA 73 Cb 0.22 -3.61 0.15 0.00 0.00 0.00 0.00 23.12 19.88 2khd s ALA 73 CO 0.20 -1.18 1.08 0.25 0.00 0.00 0.00 175.76 176.11 2khd n THR 74 N 0.00 0.02 -3.88 0.00 -2.24 -1.26 -4.01 114.28 102.92 2khd n THR 74 Ca 0.04 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 2khd n THR 74 Cb 0.41 1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 69.90 2khd n THR 74 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2khd s GLU 75 N -1.51 0.47 -0.08 -0.78 2.12 -1.26 -1.46 118.70 116.21 2khd s GLU 75 Ca 0.22 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.17 2khd s GLU 75 Cb 0.15 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.74 2khd s GLU 75 CO 0.23 -0.11 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.49 2khd s LEU 76 N -1.38 1.87 -0.16 2.70 0.20 -0.74 -4.91 118.68 116.27 2khd s LEU 76 Ca -0.15 -0.42 -0.04 0.00 0.69 0.00 0.00 54.13 54.21 2khd s LEU 76 Cb -0.08 -1.11 -0.03 0.00 -0.43 0.00 0.00 46.19 44.54 2khd s LEU 76 CO 0.01 0.10 -0.01 -1.00 -0.29 0.00 0.00 176.35 175.16 2khd s HIS 77 N 0.47 3.09 0.06 5.38 3.76 -1.26 -2.40 115.29 124.38 2khd s HIS 77 Ca -0.16 -0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.50 2khd s HIS 77 Cb -0.17 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.55 2khd s HIS 77 CO 0.06 0.05 0.17 0.00 -0.85 0.00 0.00 174.74 174.17 2khd s ALA 78 N 0.26 -0.24 0.04 -1.40 0.00 -0.87 -2.42 121.76 117.13 2khd s ALA 78 Ca -0.01 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.53 2khd s ALA 78 Cb -0.13 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 2khd s ALA 78 CO 0.02 -0.41 -0.15 1.03 0.00 0.00 0.00 175.76 176.26 2khd s ARG 79 N -3.07 0.96 0.04 0.00 0.52 -0.58 -1.29 118.95 115.52 2khd s ARG 79 Ca -0.01 -0.78 0.05 0.00 -0.52 0.00 0.00 55.73 54.47 2khd s ARG 79 Cb 0.01 -0.98 -0.02 0.00 0.52 0.00 0.00 34.95 34.48 2khd s ARG 79 CO -0.07 0.24 -0.15 -0.06 0.02 0.00 0.00 175.30 175.29 2khd s PHE 80 N -0.87 1.28 -0.18 -0.53 0.40 -0.98 -2.32 117.98 114.77 2khd s PHE 80 Ca 0.02 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 55.98 2khd s PHE 80 Cb -0.08 -0.75 0.01 0.00 0.51 0.00 0.00 43.02 42.70 2khd s PHE 80 CO 0.01 0.04 -0.15 0.21 0.70 0.00 0.00 175.22 176.04 2khd s LYS 81 N -1.18 3.15 0.08 0.44 2.20 -0.88 -0.28 119.74 123.27 2khd s LYS 81 Ca 0.02 -0.76 0.06 0.00 -0.36 0.00 0.00 55.97 54.93 2khd s LYS 81 Cb -0.08 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 2khd s LYS 81 CO 0.01 -0.14 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.73 2khd s PHE 82 N 1.20 2.83 0.40 4.03 0.08 -0.98 -4.24 117.98 121.30 2khd s PHE 82 Ca 0.02 -0.10 0.10 0.00 0.12 0.00 0.00 56.93 57.07 2khd s PHE 82 Cb -0.14 -1.49 0.81 0.00 -0.57 0.00 0.00 43.02 41.63 2khd s PHE 82 CO -0.07 0.43 1.93 1.49 -0.10 0.00 0.00 175.22 178.90 2khd h GLU 83 N 3.74 0.21 -4.83 0.44 4.81 -1.99 -3.42 114.58 113.54 2khd h GLU 83 Ca -0.48 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 58.41 2khd h GLU 83 Cb 1.17 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 30.35 2khd h GLU 83 CO 0.54 0.35 -0.72 0.14 -0.73 0.00 0.00 179.01 178.59 2khd s VAL 84 N -4.72 0.84 0.19 0.32 -7.23 -1.26 -4.98 120.40 103.55 2khd s VAL 84 Ca -0.05 -1.70 0.25 0.00 -1.81 0.00 0.00 61.98 58.67 2khd s VAL 84 Cb 0.15 -1.41 0.25 0.00 0.56 0.00 0.00 36.38 35.93 2khd s VAL 84 CO 0.73 -0.65 1.87 0.77 -0.31 0.00 0.00 175.10 177.51 2khd h SER 85 N 3.43 0.00 -0.42 4.85 4.64 -1.97 -3.08 113.55 121.01 2khd h SER 85 Ca -0.36 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.97 2khd h SER 85 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 2khd h SER 85 CO 0.56 0.21 0.25 0.00 -0.87 0.00 0.00 176.83 176.98 2khd h ALA 86 N 1.79 0.53 -0.08 5.18 0.00 -1.98 -1.19 119.26 123.51 2khd h ALA 86 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2khd h ALA 86 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2khd h ALA 86 CO 0.03 -0.06 -0.51 0.93 0.00 0.00 0.00 179.25 179.63 2khd h GLU 87 N 0.52 0.22 -0.25 0.00 5.08 -1.96 -2.70 114.58 115.49 2khd h GLU 87 Ca 0.16 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2khd h GLU 87 Cb -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2khd h GLU 87 CO -0.07 0.68 0.13 -0.22 -1.00 0.00 0.00 179.01 178.53 2khd h LYS 88 N 0.18 0.35 -0.49 2.33 3.11 -1.28 0.29 116.57 121.04 2khd h LYS 88 Ca 0.01 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.75 2khd h LYS 88 Cb 0.96 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 32.11 2khd h LYS 88 CO 0.08 0.33 0.14 -0.07 -2.81 0.00 0.00 179.45 177.12 2khd h LEU 89 N 0.28 0.74 -0.42 5.20 3.38 -1.19 -1.53 115.31 121.76 2khd h LEU 89 Ca 0.09 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2khd h LEU 89 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2khd h LEU 89 CO -0.01 0.77 0.04 0.40 0.09 0.00 0.00 178.44 179.72 2khd h ILE 90 N 0.67 1.25 -0.42 1.22 2.04 -1.26 -0.97 117.51 120.05 2khd h ILE 90 Ca 0.16 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2khd h ILE 90 Cb 0.31 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2khd h ILE 90 CO -0.00 0.32 0.23 0.15 0.00 0.00 0.00 178.15 178.86 2khd h PHE 91 N 0.56 0.56 -0.26 1.37 3.57 -0.27 0.30 116.94 122.78 2khd h PHE 91 Ca 0.12 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2khd h PHE 91 Cb 0.42 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2khd h PHE 91 CO 0.03 0.42 0.01 1.49 -2.23 0.00 0.00 178.31 178.03 2khd h GLU 92 N 0.54 0.46 -0.49 1.11 4.57 -1.19 0.78 114.58 120.36 2khd h GLU 92 Ca 0.15 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 2khd h GLU 92 Cb 0.04 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2khd h GLU 92 CO -0.02 0.62 0.13 -0.07 -1.18 0.00 0.00 179.01 178.48 2khd h LEU 93 N 0.25 0.74 -0.33 1.64 3.38 -0.98 0.10 115.31 120.11 2khd h LEU 93 Ca 0.08 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2khd h LEU 93 Cb 0.40 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2khd h LEU 93 CO 0.01 0.77 -0.02 0.50 0.09 0.00 0.00 178.44 179.79 2khd h LYS 94 N 0.67 0.60 -0.38 1.13 3.64 -0.31 0.79 116.57 122.71 2khd h LYS 94 Ca 0.16 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2khd h LYS 94 Cb 0.32 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2khd h LYS 94 CO -0.00 0.74 -0.01 1.79 -2.27 0.00 0.00 179.45 179.70 2khd h THR 95 N 0.40 1.26 -0.56 1.00 1.35 -0.72 -1.67 112.91 113.96 2khd h THR 95 Ca 0.09 -1.02 -0.09 0.00 -0.55 0.00 0.00 66.41 64.84 2khd h THR 95 Cb 0.49 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 2khd h THR 95 CO 0.02 0.34 -0.01 0.03 -0.25 0.00 0.00 175.52 175.66 2khd h ARG 96 N 0.50 0.98 -0.57 4.72 2.47 -0.73 -2.59 114.38 119.16 2khd h ARG 96 Ca 0.11 -0.30 -0.06 0.00 -1.26 0.00 0.00 59.98 58.47 2khd h ARG 96 Cb 0.48 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 2khd h ARG 96 CO 0.02 0.97 0.11 0.00 0.56 0.00 0.00 179.97 181.63 2khd h ALA 97 N 1.08 1.11 -0.56 0.04 0.00 -0.66 0.26 119.26 120.53 2khd h ALA 97 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2khd h ALA 97 Cb 0.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2khd h ALA 97 CO 0.03 0.59 0.21 1.25 0.00 0.00 0.00 179.25 181.32 2khd h LEU 98 N 0.86 0.79 -0.04 0.00 6.46 -0.99 0.22 115.31 122.60 2khd h LEU 98 Ca 0.18 -0.18 -0.19 0.00 -0.12 0.00 0.00 57.88 57.56 2khd h LEU 98 Cb 0.36 -0.21 0.01 0.00 -0.73 0.00 0.00 40.66 40.09 2khd h LEU 98 CO 0.00 0.76 -0.73 0.00 -0.62 0.00 0.00 178.44 177.86 2khd h ALA 99 N 1.06 0.15 -0.56 1.25 0.00 -1.14 -3.28 119.26 116.73 2khd h ALA 99 Ca 0.18 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2khd h ALA 99 Cb 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2khd h ALA 99 CO -0.01 0.50 0.00 -0.09 0.00 0.00 0.00 179.25 179.65 2khd h ARG 100 N 0.17 0.99 0.00 0.00 2.43 -0.39 -3.49 114.38 114.10 2khd h ARG 100 Ca -0.08 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2khd h ARG 100 Cb 1.40 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2khd h ARG 100 CO 0.15 0.99 -0.01 1.28 -1.51 0.00 0.00 179.97 180.86 2khd n LEU 101 N -4.25 0.00 -3.02 3.80 4.77 0.76 -3.99 117.00 115.07 2khd n LEU 101 Ca 0.02 0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.66 2khd n LEU 101 Cb 0.33 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2khd n LEU 101 CO 0.43 -1.35 1.14 1.21 -1.33 0.00 0.00 177.39 177.49 2khd n GLU 102 N -1.81 3.59 -2.11 3.23 4.07 -1.26 -4.98 120.64 121.37 2khd n GLU 102 Ca 0.00 -4.11 0.00 0.00 -0.06 0.00 0.00 57.16 52.99 2khd n GLU 102 Cb 0.01 -2.31 0.00 0.00 -0.06 0.00 0.00 31.44 29.08 2khd n GLU 102 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2khd n HIS 103 N -0.38 -4.54 -0.06 4.31 8.25 -1.26 -4.83 115.22 116.72 2khd n HIS 103 Ca 0.47 2.73 -0.10 0.00 -0.26 0.00 0.00 57.72 60.56 2khd n HIS 103 Cb 0.33 -3.41 -0.04 0.00 1.12 0.00 0.00 29.99 27.99 2khd n HIS 103 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2khd h HIS 104 N 4.33 0.29 -6.15 4.41 3.86 -1.93 -3.47 115.15 116.49 2khd h HIS 104 Ca 0.00 -0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 58.99 2khd h HIS 104 Cb 0.00 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.39 2khd h HIS 104 CO 0.00 0.30 -1.05 1.58 0.86 0.00 0.00 177.93 179.62 2khd n HIS 105 N -4.86 -1.41 -3.71 2.45 -0.00 -1.26 -4.99 115.22 101.44 2khd n HIS 105 Ca -0.04 0.59 -0.12 0.00 -0.00 0.00 0.00 57.72 58.16 2khd n HIS 105 Cb 0.10 -1.32 -0.10 0.00 -0.00 0.00 0.00 29.99 28.67 2khd n HIS 105 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2khd s HIS 106 N -1.17 -0.55 0.00 1.57 2.46 -1.26 -5.01 115.29 111.34 2khd s HIS 106 Ca 0.20 1.25 0.00 0.00 0.47 0.00 0.00 55.06 56.99 2khd s HIS 106 Cb -0.02 0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.65 2khd s HIS 106 CO 0.46 -0.29 0.00 -2.39 -2.47 0.00 0.00 174.74 170.05 2khd n HIS 107 N 3.49 0.00 1.74 3.88 1.44 -1.26 -5.33 115.22 119.18 2khd n HIS 107 Ca -0.18 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.68 2khd n HIS 107 Cb 0.56 0.01 0.73 0.00 0.12 0.00 0.00 29.99 31.41 2khd n HIS 107 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11