#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khd n SER 2 N 0.00 0.00 0.00 7.83 2.88 -1.26 -4.65 113.62 118.42 2khd n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2khd n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2khd n SER 2 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2khd n ASN 3 N 0.66 0.00 0.00 -3.46 5.15 -1.26 -3.45 115.26 112.91 2khd n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2khd n ASN 3 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2khd n ASN 3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khd n GLN 4 N 1.29 0.00 -2.00 1.20 6.02 -1.26 -4.87 117.38 117.76 2khd n GLN 4 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2khd n GLN 4 Cb 0.00 -0.06 -0.02 0.00 1.02 0.00 0.00 30.24 31.17 2khd n GLN 4 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2khd s THR 5 N 0.00 2.68 -0.31 5.09 2.01 -1.22 -4.91 115.64 118.98 2khd s THR 5 Ca 0.00 0.55 0.18 0.00 0.31 0.00 0.00 61.69 62.72 2khd s THR 5 Cb 0.00 -3.35 0.46 0.00 0.01 0.00 0.00 72.50 69.62 2khd s THR 5 CO 0.00 0.07 1.23 0.00 -0.69 0.00 0.00 174.62 175.24 2khd s VAL 7 N -2.09 4.13 -0.29 0.00 1.01 -1.26 -5.08 120.40 116.83 2khd s VAL 7 Ca 0.21 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 2khd s VAL 7 Cb 0.39 -2.83 0.16 0.00 0.00 0.00 0.00 36.38 34.11 2khd s VAL 7 CO -0.06 0.48 1.24 -1.83 0.00 0.00 0.00 175.10 174.93 2khd s GLU 8 N 0.37 0.26 0.00 2.72 -1.05 -1.26 -4.95 118.70 114.79 2khd s GLU 8 Ca -0.02 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.12 2khd s GLU 8 Cb -0.14 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.68 2khd s GLU 8 CO 0.02 -0.03 0.00 -1.71 0.95 0.00 0.00 175.26 174.49 2khd n ASN 9 N 2.03 0.00 -4.78 0.83 5.15 -1.26 -4.93 115.26 112.30 2khd n ASN 9 Ca -0.12 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.50 2khd n ASN 9 Cb 0.56 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.79 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 0.00 3.79 0.00 1.20 8.01 -1.26 -4.19 118.70 126.25 2khd s GLU 10 Ca 0.00 1.58 0.00 0.00 0.01 0.00 0.00 54.97 56.56 2khd s GLU 10 Cb 0.00 -2.28 0.00 0.00 -4.31 0.00 0.00 34.13 27.54 2khd s GLU 10 CO 0.00 -0.48 0.00 0.28 0.01 0.00 0.00 175.26 175.07 2khd n VAL 11 N -0.66 0.00 -2.18 2.63 0.31 -1.26 -4.77 118.33 112.40 2khd n VAL 11 Ca 0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.00 2khd n VAL 11 Cb 0.50 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.40 2khd n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2khd n GLU 13 N 2.09 1.49 0.00 0.00 1.02 -1.26 -4.37 120.64 119.62 2khd n GLU 13 Ca 0.04 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2khd n GLU 13 Cb 0.42 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2khd n GLU 13 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2khd n ALA 14 N -0.23 0.00 -1.93 0.62 0.00 -1.26 -4.82 120.51 112.89 2khd n ALA 14 Ca 0.09 -0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 2khd n ALA 14 Cb 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 2khd n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khd s GLY 16 N -1.77 1.57 0.20 0.00 0.00 -1.26 -4.94 107.32 101.12 2khd s GLY 16 Ca 0.50 -0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.84 2khd s GLY 16 CO 0.21 0.56 1.20 0.00 0.00 0.00 0.00 173.10 175.07 2khd s ALA 18 N -0.24 2.97 0.00 0.00 0.00 -1.26 -3.06 121.76 120.17 2khd s ALA 18 Ca 0.52 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.61 2khd s ALA 18 Cb -0.33 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2khd s ALA 18 CO 0.38 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2khd n GLY 19 N 0.59 0.49 3.69 0.00 0.00 -1.26 -5.00 105.19 103.70 2khd n GLY 19 Ca 0.08 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2khd n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2khd s GLU 20 N -1.57 4.25 0.00 1.61 2.56 -1.17 -4.87 118.70 119.51 2khd s GLU 20 Ca 0.00 2.10 0.23 0.00 0.00 0.00 0.00 54.97 57.30 2khd s GLU 20 Cb 0.00 -3.59 0.17 0.00 2.00 0.00 0.00 34.13 32.71 2khd s GLU 20 CO 0.00 -0.64 1.18 0.44 -0.56 0.00 0.00 175.26 175.69 2khd n ILE 21 N 4.70 0.00 0.00 -3.70 -5.35 -1.26 -5.06 119.36 108.68 2khd n ILE 21 Ca 0.14 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 2khd n ILE 21 Cb 0.42 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 2khd n ILE 21 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2khd n GLY 22 N 1.45 2.83 3.46 3.28 0.00 -1.26 -5.07 105.19 109.87 2khd n GLY 22 Ca 0.07 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.55 2.79 0.48 1.61 5.36 -1.26 -5.11 117.98 119.29 2khd s PHE 23 Ca 0.00 -0.30 -0.19 0.00 -0.96 0.00 0.00 56.93 55.47 2khd s PHE 23 Cb 0.00 -1.73 -0.09 0.00 -0.34 0.00 0.00 43.02 40.86 2khd s PHE 23 CO 0.00 0.06 0.99 0.96 -1.46 0.00 0.00 175.22 175.77 2khd s ILE 24 N -0.32 4.25 -0.22 3.12 -4.36 -1.26 -4.58 121.20 117.83 2khd s ILE 24 Ca 0.03 1.29 -0.04 0.00 -0.26 0.00 0.00 60.65 61.67 2khd s ILE 24 Cb -0.13 -3.58 0.02 0.00 1.25 0.00 0.00 42.46 40.02 2khd s ILE 24 CO 0.02 -0.40 0.08 -0.38 0.24 0.00 0.00 174.94 174.50 2khd n ILE 25 N -1.04-10.82 -2.35 8.37 5.41 -1.26 -4.95 119.36 112.72 2khd n ILE 25 Ca 0.08 1.94 -0.33 0.00 1.00 0.00 0.00 62.75 65.44 2khd n ILE 25 Cb 0.54 -6.21 -0.02 0.00 -0.71 0.00 0.00 39.64 33.24 2khd n ILE 25 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2khd s ARG 26 N -1.17 3.74 0.44 0.38 1.81 -1.26 -4.99 118.95 117.90 2khd s ARG 26 Ca -0.10 1.13 -0.26 0.00 -1.72 0.00 0.00 55.73 54.79 2khd s ARG 26 Cb 0.01 -2.10 -0.09 0.00 -0.45 0.00 0.00 34.95 32.32 2khd s ARG 26 CO 0.67 -0.46 1.41 -1.21 -0.68 0.00 0.00 175.30 175.04 2khd s GLU 27 N -3.82 3.77 -0.00 3.54 8.01 -1.26 -4.84 118.70 124.09 2khd s GLU 27 Ca 0.62 2.38 -0.01 0.00 0.01 0.00 0.00 54.97 57.98 2khd s GLU 27 Cb -0.13 -2.70 0.00 0.00 -4.31 0.00 0.00 34.13 27.00 2khd s GLU 27 CO 0.29 -0.74 0.03 0.41 0.01 0.00 0.00 175.26 175.26 2khd n GLY 28 N 0.59 0.64 0.20 -1.39 0.00 -1.26 -4.98 105.19 98.98 2khd n GLY 28 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.23 2khd n GLY 28 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2khd h ASP 29 N 0.05 0.15 -0.02 1.61 2.03 -1.97 -2.03 116.42 116.23 2khd h ASP 29 Ca -0.01 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 2khd h ASP 29 Cb 0.03 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 2khd h ASP 29 CO 0.01 0.49 0.00 0.47 -1.03 0.00 0.00 179.24 179.17 2khd n ASP 30 N -4.10 0.35 -4.26 4.15 8.00 -1.26 -4.35 116.55 115.08 2khd n ASP 30 Ca -0.01 -1.34 -0.32 0.00 0.71 0.00 0.00 54.79 53.83 2khd n ASP 30 Cb 0.41 -0.01 -0.17 0.00 -0.02 0.00 0.00 41.12 41.33 2khd n ASP 30 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2khd s VAL 31 N -1.97 2.07 0.09 2.53 1.01 -0.76 -0.84 120.40 122.52 2khd s VAL 31 Ca 0.35 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2khd s VAL 31 Cb 0.17 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2khd s VAL 31 CO 0.28 0.57 -0.19 0.00 0.00 0.00 0.00 175.10 175.76 2khd s ALA 32 N -0.03 1.62 0.03 5.51 0.00 0.17 -4.46 121.76 124.61 2khd s ALA 32 Ca -0.08 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 2khd s ALA 32 Cb -0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 2khd s ALA 32 CO 0.05 0.31 0.48 -1.83 0.00 0.00 0.00 175.76 174.77 2khd s GLU 33 N -1.78 4.04 -0.03 0.00 -1.05 -1.26 -1.14 118.70 117.47 2khd s GLU 33 Ca 0.04 0.55 0.03 0.00 -0.15 0.00 0.00 54.97 55.44 2khd s GLU 33 Cb -0.10 -3.22 0.00 0.00 -0.44 0.00 0.00 34.13 30.37 2khd s GLU 33 CO 0.03 0.67 -0.12 0.08 0.95 0.00 0.00 175.26 176.87 2khd s VAL 34 N -1.10 1.00 0.01 1.83 1.01 -0.08 -4.91 120.40 118.15 2khd s VAL 34 Ca 0.26 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2khd s VAL 34 Cb -0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2khd s VAL 34 CO 0.16 0.30 -0.07 -0.55 0.00 0.00 0.00 175.10 174.94 2khd s SER 35 N 0.17 0.84 0.23 3.32 0.15 -1.26 -2.04 113.70 115.10 2khd s SER 35 Ca -0.04 -0.24 0.12 0.00 0.70 0.00 0.00 55.95 56.49 2khd s SER 35 Cb -0.10 -0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 64.11 2khd s SER 35 CO 0.01 0.01 -0.22 -0.76 1.20 0.00 0.00 173.24 173.49 2khd s LEU 36 N -0.55 2.53 -0.03 3.45 1.43 -1.09 -4.94 118.68 119.48 2khd s LEU 36 Ca -0.00 -0.92 0.07 0.00 -1.03 0.00 0.00 54.13 52.24 2khd s LEU 36 Cb -0.05 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 2khd s LEU 36 CO 0.00 0.08 -0.25 -0.36 0.23 0.00 0.00 176.35 176.06 2khd s PHE 37 N -2.04 2.39 -0.03 0.29 0.08 -1.26 -2.41 117.98 115.00 2khd s PHE 37 Ca 0.25 -0.49 -0.17 0.00 0.12 0.00 0.00 56.93 56.65 2khd s PHE 37 Cb -0.07 -1.54 0.05 0.00 -0.57 0.00 0.00 43.02 40.90 2khd s PHE 37 CO 0.12 -0.06 0.74 0.41 -0.10 0.00 0.00 175.22 176.33 2khd n GLY 38 N 2.56 0.32 0.00 4.36 0.00 0.44 -4.89 105.19 107.99 2khd n GLY 38 Ca -0.16 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.63 0.00 -4.86 1.61 3.41 -1.26 -4.24 113.62 107.66 2khd n SER 39 Ca 0.03 0.01 -0.32 0.00 -0.26 0.00 0.00 58.87 58.33 2khd n SER 39 Cb 0.33 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2khd n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2khd s ASP 40 N -1.77 6.48 0.19 4.04 -1.08 -1.26 -3.83 116.67 119.44 2khd s ASP 40 Ca 0.00 1.48 -0.11 0.00 -0.52 0.00 0.00 52.55 53.40 2khd s ASP 40 Cb 0.00 -2.48 0.11 0.00 -1.46 0.00 0.00 42.92 39.10 2khd s ASP 40 CO 0.00 -0.67 1.78 0.50 0.52 0.00 0.00 175.17 177.31 2khd h LYS 41 N 0.52 0.98 -0.91 4.34 3.11 -1.62 -2.70 116.57 120.28 2khd h LYS 41 Ca -0.46 -0.14 0.09 0.00 -2.81 0.00 0.00 60.65 57.33 2khd h LYS 41 Cb 1.19 -0.18 -0.07 0.00 -1.00 0.00 0.00 32.23 32.17 2khd h LYS 41 CO 0.62 0.77 0.56 0.00 -2.81 0.00 0.00 179.45 178.58 2khd h ALA 42 N 1.16 1.31 -0.71 5.00 0.00 -1.93 -1.14 119.26 122.95 2khd h ALA 42 Ca 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2khd h ALA 42 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2khd h ALA 42 CO -0.03 0.23 0.41 1.25 0.00 0.00 0.00 179.25 181.10 2khd h HIS 43 N 0.95 0.95 -0.79 0.00 -0.00 -1.87 -2.31 115.15 112.08 2khd h HIS 43 Ca 0.43 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.74 2khd h HIS 43 Cb 0.33 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 2khd h HIS 43 CO -0.03 0.66 0.30 -0.07 -0.00 0.00 0.00 177.93 178.79 2khd h LEU 44 N 0.97 1.10 -1.22 0.26 3.38 -1.13 -2.23 115.31 116.44 2khd h LEU 44 Ca 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2khd h LEU 44 Cb 0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2khd h LEU 44 CO -0.04 0.98 0.41 -0.33 0.09 0.00 0.00 178.44 179.55 2khd h GLU 45 N 1.15 0.94 -0.62 1.13 5.08 -0.82 -1.28 114.58 120.16 2khd h GLU 45 Ca 0.26 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2khd h GLU 45 Cb 0.24 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2khd h GLU 45 CO -0.02 0.66 0.31 0.78 -1.00 0.00 0.00 179.01 179.75 2khd h GLY 46 N 0.99 0.95 1.39 -3.84 0.00 -0.89 -2.18 103.07 99.49 2khd h GLY 46 Ca 0.25 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 2khd h GLY 46 CO -0.05 0.44 -0.04 0.50 0.00 0.00 0.00 176.54 177.39 2khd h LYS 47 N 0.85 0.74 -0.91 4.80 1.57 -1.09 -2.77 116.57 119.75 2khd h LYS 47 Ca 0.22 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2khd h LYS 47 Cb 0.10 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2khd h LYS 47 CO -0.03 0.78 0.55 1.25 -0.57 0.00 0.00 179.45 181.43 2khd h LEU 48 N 0.68 1.10 -0.81 2.94 5.85 -0.66 -2.09 115.31 122.32 2khd h LEU 48 Ca 0.13 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.86 2khd h LEU 48 Cb 0.48 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2khd h LEU 48 CO 0.02 0.84 0.48 0.00 -0.34 0.00 0.00 178.44 179.45 2khd h ALA 49 N 1.30 1.13 -0.55 1.25 0.00 -1.14 -0.68 119.26 120.58 2khd h ALA 49 Ca 0.33 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 2khd h ALA 49 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2khd h ALA 49 CO -0.06 0.15 -0.06 0.93 0.00 0.00 0.00 179.25 180.22 2khd h GLU 50 N 0.84 0.98 -0.80 0.00 5.08 -1.42 -2.70 114.58 116.56 2khd h GLU 50 Ca 0.37 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2khd h GLU 50 Cb 0.27 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2khd h GLU 50 CO -0.21 1.00 0.40 1.88 -1.00 0.00 0.00 179.01 181.08 2khd h TYR 51 N 0.89 1.14 -0.59 4.33 -1.99 -0.57 -2.55 116.97 117.63 2khd h TYR 51 Ca 0.15 -0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 2khd h TYR 51 Cb 0.60 -0.36 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 2khd h TYR 51 CO 0.04 0.82 0.23 0.82 -0.00 0.00 0.00 178.16 180.08 2khd h ILE 52 N 1.13 1.23 -0.11 -2.88 2.04 -0.97 -0.67 117.51 117.28 2khd h ILE 52 Ca 0.28 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.44 2khd h ILE 52 Cb 0.10 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2khd h ILE 52 CO -0.04 0.28 -0.03 0.28 0.00 0.00 0.00 178.15 178.64 2khd h SER 53 N 0.82 -0.10 -0.55 1.72 0.02 -1.15 0.42 113.55 114.73 2khd h SER 53 Ca 0.20 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 2khd h SER 53 Cb 0.21 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2khd h SER 53 CO -0.02 -0.04 0.01 -0.07 -1.14 0.00 0.00 176.83 175.58 2khd h LEU 54 N 0.00 0.94 -0.81 5.07 -0.00 -1.37 -2.22 115.31 116.92 2khd h LEU 54 Ca 0.05 -0.30 -0.06 0.00 -0.00 0.00 0.00 57.88 57.57 2khd h LEU 54 Cb 0.08 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.46 2khd h LEU 54 CO -0.11 1.01 0.17 0.00 -0.00 0.00 0.00 178.44 179.51 2khd h ALA 55 N 0.97 1.03 -0.45 1.53 0.00 -0.71 -1.37 119.26 120.25 2khd h ALA 55 Ca 0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2khd h ALA 55 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2khd h ALA 55 CO 0.03 0.64 0.14 -0.22 0.00 0.00 0.00 179.25 179.83 2khd h LYS 56 N 1.02 0.71 -0.50 0.00 3.64 0.08 -0.58 116.57 120.94 2khd h LYS 56 Ca 0.22 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2khd h LYS 56 Cb 0.34 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2khd h LYS 56 CO -0.00 0.68 -0.03 1.96 -2.27 0.00 0.00 179.45 179.79 2khd h GLN 57 N 0.60 0.90 -0.33 1.90 1.08 -1.18 -3.14 115.11 114.94 2khd h GLN 57 Ca 0.15 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 2khd h GLN 57 Cb 0.27 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2khd h GLN 57 CO -0.00 0.94 0.07 0.28 -0.95 0.00 0.00 178.83 179.17 2khd h VAL 58 N 0.76 1.23 -3.41 -0.54 2.07 -1.07 -3.43 116.25 111.86 2khd h VAL 58 Ca 0.14 -0.78 -0.53 0.00 0.82 0.00 0.00 66.70 66.34 2khd h VAL 58 Cb 0.56 1.11 -0.33 0.00 -1.52 0.00 0.00 31.29 31.11 2khd h VAL 58 CO 0.03 0.26 -0.82 -0.47 0.02 0.00 0.00 177.57 176.59 2khd s TYR 59 N -5.23 1.57 0.67 1.57 5.04 -0.24 -5.10 117.35 115.62 2khd s TYR 59 Ca -0.13 -0.59 -0.15 0.00 -2.44 0.00 0.00 57.07 53.76 2khd s TYR 59 Cb 0.09 -1.13 0.01 0.00 0.35 0.00 0.00 41.96 41.27 2khd s TYR 59 CO 0.75 -0.29 1.13 0.00 -1.34 0.00 0.00 175.55 175.80 2khd s ALA 60 N 0.64 2.40 -1.22 3.97 0.00 -1.25 -3.65 121.76 122.65 2khd s ALA 60 Ca -0.15 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.17 2khd s ALA 60 Cb -0.16 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2khd s ALA 60 CO 0.04 -1.39 0.66 0.27 0.00 0.00 0.00 175.76 175.35 2khd n ASN 61 N -2.50 -3.95 -4.74 0.00 0.23 -1.26 -4.86 115.26 98.18 2khd n ASN 61 Ca 0.11 -1.15 -0.41 0.00 -0.53 0.00 0.00 54.58 52.60 2khd n ASN 61 Cb 0.52 -2.56 -0.04 0.00 -2.08 0.00 0.00 39.78 35.62 2khd n ASN 61 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2khd s VAL 62 N -3.60 3.66 -0.01 3.53 0.11 -1.24 -5.04 120.40 117.81 2khd s VAL 62 Ca 0.41 1.47 0.06 0.00 -2.93 0.00 0.00 61.98 60.98 2khd s VAL 62 Cb -0.18 -3.93 -0.02 0.00 -1.53 0.00 0.00 36.38 30.72 2khd s VAL 62 CO 0.92 0.27 -0.20 -1.61 -3.33 0.00 0.00 175.10 171.14 2khd s GLU 63 N -0.58 1.64 0.13 1.54 2.02 -1.26 -5.03 118.70 117.16 2khd s GLU 63 Ca 0.50 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.64 2khd s GLU 63 Cb -0.31 -1.59 0.01 0.00 0.10 0.00 0.00 34.13 32.34 2khd s GLU 63 CO 0.37 0.44 0.31 1.52 0.02 0.00 0.00 175.26 177.91 2khd s TYR 64 N -0.48 0.08 -0.00 1.61 1.13 -1.26 -1.98 117.35 116.45 2khd s TYR 64 Ca 0.08 -0.46 -0.04 0.00 -1.41 0.00 0.00 57.07 55.24 2khd s TYR 64 Cb -0.08 0.08 -0.00 0.00 -1.10 0.00 0.00 41.96 40.86 2khd s TYR 64 CO -0.01 -0.67 0.07 -2.00 -2.51 0.00 0.00 175.55 170.43 2khd s GLU 65 N -3.87 0.32 -0.13 -3.49 2.56 -0.92 -4.97 118.70 108.20 2khd s GLU 65 Ca 0.08 -0.31 0.02 0.00 0.00 0.00 0.00 54.97 54.75 2khd s GLU 65 Cb 0.03 0.13 -0.00 0.00 2.00 0.00 0.00 34.13 36.28 2khd s GLU 65 CO -0.08 -0.06 -0.19 0.08 -0.56 0.00 0.00 175.26 174.45 2khd s VAL 66 N -0.99 2.49 0.74 3.70 1.01 -1.26 -1.60 120.40 124.49 2khd s VAL 66 Ca -0.11 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 2khd s VAL 66 Cb -0.06 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.36 2khd s VAL 66 CO 0.00 0.54 1.10 0.00 0.00 0.00 0.00 175.10 176.74 2khd s ALA 67 N 0.50 2.88 0.17 5.51 0.00 -0.98 -4.97 121.76 124.88 2khd s ALA 67 Ca -0.12 -0.65 -0.34 0.00 0.00 0.00 0.00 51.96 50.85 2khd s ALA 67 Cb -0.17 -2.86 -0.14 0.00 0.00 0.00 0.00 23.12 19.95 2khd s ALA 67 CO 0.05 -1.39 1.45 -2.30 0.00 0.00 0.00 175.76 173.57 2khd n PRO 68 N -3.09 1.86 -4.29 0.00 -0.02 -1.26 -4.79 135.00 123.41 2khd n PRO 68 Ca 0.07 0.67 -0.19 0.00 -2.02 0.00 0.00 63.50 62.03 2khd n PRO 68 Cb 0.60 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.47 0.63 0.58 -1.45 1.01 -1.26 -4.94 120.40 115.44 2khd s VAL 69 Ca 0.76 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 2khd s VAL 69 Cb -0.73 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2khd s VAL 69 CO 0.44 0.20 1.16 0.00 0.00 0.00 0.00 175.10 176.90 2khd s ALA 70 N 0.15 2.60 0.28 5.51 0.00 -1.26 -4.92 121.76 124.12 2khd s ALA 70 Ca -0.02 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 2khd s ALA 70 Cb -0.07 -3.39 0.41 0.00 0.00 0.00 0.00 23.12 20.07 2khd s ALA 70 CO 0.00 -1.00 1.85 -0.44 0.00 0.00 0.00 175.76 176.17 2khd h ASP 71 N 0.92 0.80 -0.23 0.00 3.32 -2.00 -0.90 116.42 118.32 2khd h ASP 71 Ca -0.50 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2khd h ASP 71 Cb 1.27 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2khd h ASP 71 CO 0.56 0.74 0.00 -3.20 -1.72 0.00 0.00 179.24 175.62 2khd n ASN 72 N -4.30 1.31 -4.77 6.45 2.85 -1.26 -2.60 115.26 112.93 2khd n ASN 72 Ca 0.05 -1.96 -0.40 0.00 -0.11 0.00 0.00 54.58 52.17 2khd n ASN 72 Cb 0.19 -0.15 0.01 0.00 1.24 0.00 0.00 39.78 41.06 2khd n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2khd s ALA 73 N -1.69 3.23 -1.73 5.20 0.00 -0.35 -4.90 121.76 121.53 2khd s ALA 73 Ca 0.18 1.34 0.17 0.00 0.00 0.00 0.00 51.96 53.65 2khd s ALA 73 Cb 0.09 -3.54 0.32 0.00 0.00 0.00 0.00 23.12 20.00 2khd s ALA 73 CO 0.13 -1.01 1.23 -2.37 0.00 0.00 0.00 175.76 173.74 2khd n THR 74 N -0.07 0.55 -4.03 0.00 5.66 -1.25 -3.93 114.28 111.21 2khd n THR 74 Ca 0.05 -0.78 -0.08 0.00 -3.05 0.00 0.00 64.05 60.19 2khd n THR 74 Cb 0.43 0.88 -0.09 0.00 -1.55 0.00 0.00 70.33 70.00 2khd n THR 74 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2khd s GLU 75 N -1.19 0.70 -0.04 1.09 2.02 -1.26 -0.42 118.70 119.61 2khd s GLU 75 Ca 0.28 -1.17 0.03 0.00 0.02 0.00 0.00 54.97 54.14 2khd s GLU 75 Cb 0.17 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.65 2khd s GLU 75 CO 0.23 -0.17 -0.13 -1.17 0.02 0.00 0.00 175.26 174.04 2khd s LEU 76 N -2.91 1.79 -0.22 1.80 2.96 -1.01 -4.93 118.68 116.15 2khd s LEU 76 Ca 0.08 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 2khd s LEU 76 Cb 0.07 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 2khd s LEU 76 CO -0.09 0.09 0.07 -1.00 -1.32 0.00 0.00 176.35 174.10 2khd s HIS 77 N 0.26 3.15 0.14 5.38 3.76 -1.26 -2.66 115.29 124.06 2khd s HIS 77 Ca -0.06 -0.19 -0.12 0.00 -0.15 0.00 0.00 55.06 54.53 2khd s HIS 77 Cb -0.12 -2.18 0.01 0.00 1.11 0.00 0.00 32.58 31.41 2khd s HIS 77 CO 0.02 -0.14 0.34 0.00 -0.85 0.00 0.00 174.74 174.10 2khd s ALA 78 N 1.12 -0.50 0.08 -1.40 0.00 -0.86 -2.31 121.76 117.88 2khd s ALA 78 Ca 0.04 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.62 2khd s ALA 78 Cb -0.14 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 2khd s ALA 78 CO 0.03 -0.64 -0.16 1.03 0.00 0.00 0.00 175.76 176.02 2khd s ARG 79 N -3.87 0.93 0.11 0.00 0.52 -0.63 -0.90 118.95 115.10 2khd s ARG 79 Ca 0.08 -1.00 0.07 0.00 -0.52 0.00 0.00 55.73 54.36 2khd s ARG 79 Cb 0.03 -1.01 -0.03 0.00 0.52 0.00 0.00 34.95 34.45 2khd s ARG 79 CO -0.07 0.23 -0.16 -0.06 0.02 0.00 0.00 175.30 175.26 2khd s PHE 80 N -1.20 1.50 -0.08 -0.53 0.40 -0.29 -2.16 117.98 115.62 2khd s PHE 80 Ca 0.01 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 55.85 2khd s PHE 80 Cb -0.10 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.60 2khd s PHE 80 CO 0.03 0.16 -0.02 0.21 0.70 0.00 0.00 175.22 176.30 2khd s LYS 81 N -2.21 2.91 0.00 0.44 2.20 -0.84 -0.65 119.74 121.60 2khd s LYS 81 Ca 0.06 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2khd s LYS 81 Cb -0.08 -2.74 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 2khd s LYS 81 CO 0.04 0.69 0.00 1.19 -0.36 0.00 0.00 175.35 176.91 2khd n PHE 82 N 2.13 -0.04 -0.13 4.03 3.72 -0.02 -4.57 117.46 122.57 2khd n PHE 82 Ca -0.18 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.94 2khd n PHE 82 Cb 0.53 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.57 -4.25 -1.08 2.13 -1.26 -4.69 120.64 112.06 2khd n GLU 83 Ca 0.00 0.25 -0.14 0.00 0.66 0.00 0.00 57.16 57.93 2khd n GLU 83 Cb 0.00 -1.46 -0.10 0.00 0.27 0.00 0.00 31.44 30.14 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 -2.52 0.68 0.42 6.31 -7.23 -1.26 -4.66 120.40 112.13 2khd s VAL 84 Ca -0.38 -1.98 0.39 0.00 -1.81 0.00 0.00 61.98 58.20 2khd s VAL 84 Cb 0.14 -2.17 0.40 0.00 0.56 0.00 0.00 36.38 35.31 2khd s VAL 84 CO 0.48 -0.43 2.19 -1.28 -0.31 0.00 0.00 175.10 175.75 2khd h SER 85 N 2.66 0.00 -0.64 4.85 0.87 -1.97 -2.02 113.55 117.30 2khd h SER 85 Ca -0.37 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 2khd h SER 85 Cb 1.21 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.14 2khd h SER 85 CO 0.62 0.00 0.35 0.00 -0.53 0.00 0.00 176.83 177.27 2khd h ALA 86 N 2.01 1.37 -0.29 6.23 0.00 -1.95 -1.86 119.26 124.77 2khd h ALA 86 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2khd h ALA 86 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2khd h ALA 86 CO 0.00 0.51 -0.19 0.93 0.00 0.00 0.00 179.25 180.50 2khd h GLU 87 N 0.92 0.53 -0.29 0.00 4.39 -1.78 -2.27 114.58 116.09 2khd h GLU 87 Ca 0.23 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2khd h GLU 87 Cb 0.04 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2khd h GLU 87 CO -0.04 0.70 0.13 -0.22 -1.16 0.00 0.00 179.01 178.42 2khd h LYS 88 N 0.48 0.43 -0.45 2.33 3.64 -1.45 0.39 116.57 121.95 2khd h LYS 88 Ca 0.08 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2khd h LYS 88 Cb 0.60 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2khd h LYS 88 CO 0.04 0.43 0.18 -0.07 -2.27 0.00 0.00 179.45 177.76 2khd h LEU 89 N 0.33 0.62 -0.29 5.20 3.38 -1.32 0.29 115.31 123.52 2khd h LEU 89 Ca 0.10 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2khd h LEU 89 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2khd h LEU 89 CO -0.01 0.62 -0.02 0.40 0.09 0.00 0.00 178.44 179.53 2khd h ILE 90 N 0.59 1.26 -0.48 1.22 2.04 -1.20 -2.12 117.51 118.81 2khd h ILE 90 Ca 0.15 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 2khd h ILE 90 Cb 0.20 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2khd h ILE 90 CO -0.01 0.31 0.13 0.15 0.00 0.00 0.00 178.15 178.73 2khd h PHE 91 N 0.30 0.80 -0.94 1.37 3.57 -0.04 -2.39 116.94 119.61 2khd h PHE 91 Ca 0.08 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2khd h PHE 91 Cb 0.46 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 2khd h PHE 91 CO 0.04 0.71 0.62 1.49 -2.23 0.00 0.00 178.31 178.94 2khd h GLU 92 N 0.65 1.18 -0.53 1.11 4.57 -0.35 -0.60 114.58 120.61 2khd h GLU 92 Ca 0.15 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2khd h GLU 92 Cb 0.31 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2khd h GLU 92 CO -0.00 0.78 0.23 1.25 -1.18 0.00 0.00 179.01 180.09 2khd h LEU 93 N 1.22 0.72 -0.65 1.64 6.46 -1.03 -0.25 115.31 123.41 2khd h LEU 93 Ca 0.36 -0.16 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 2khd h LEU 93 Cb -0.05 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 2khd h LEU 93 CO -0.10 0.68 0.15 0.11 -0.62 0.00 0.00 178.44 178.66 2khd h LYS 94 N 0.71 1.05 -0.49 1.25 1.57 -0.86 -0.74 116.57 119.07 2khd h LYS 94 Ca 0.18 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2khd h LYS 94 Cb 0.17 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2khd h LYS 94 CO -0.02 0.95 0.10 1.79 -0.57 0.00 0.00 179.45 181.71 2khd h THR 95 N 0.98 1.24 -0.67 -0.16 1.35 -0.81 -0.91 112.91 113.94 2khd h THR 95 Ca 0.20 -0.88 -0.05 0.00 -0.55 0.00 0.00 66.41 65.13 2khd h THR 95 Cb 0.37 0.87 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 2khd h THR 95 CO 0.00 0.31 0.20 0.03 -0.25 0.00 0.00 175.52 175.82 2khd h ARG 96 N 0.68 1.03 -0.33 4.72 3.08 -0.80 -0.27 114.38 122.48 2khd h ARG 96 Ca 0.15 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2khd h ARG 96 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2khd h ARG 96 CO 0.01 0.88 0.01 0.00 -1.07 0.00 0.00 179.97 179.80 2khd h ALA 97 N 1.23 0.45 -0.47 0.04 0.00 -0.78 0.53 119.26 120.25 2khd h ALA 97 Ca 0.22 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2khd h ALA 97 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2khd h ALA 97 CO -0.01 0.19 0.10 -0.07 0.00 0.00 0.00 179.25 179.47 2khd h LEU 98 N 0.39 0.73 0.08 0.00 3.38 -0.90 1.14 115.31 120.13 2khd h LEU 98 Ca 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2khd h LEU 98 Cb 0.42 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2khd h LEU 98 CO 0.01 0.78 -0.04 0.00 0.09 0.00 0.00 178.44 179.29 2khd h ALA 99 N 0.97 -0.11 -0.46 1.53 0.00 -0.93 -3.26 119.26 116.99 2khd h ALA 99 Ca 0.15 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2khd h ALA 99 Cb 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2khd h ALA 99 CO 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 179.25 178.75 2khd h ARG 100 N -0.66 0.94 -6.87 0.00 2.47 0.07 -3.47 114.38 106.86 2khd h ARG 100 Ca -0.01 -0.39 -0.58 0.00 -1.26 0.00 0.00 59.98 57.73 2khd h ARG 100 Cb 0.53 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 2khd h ARG 100 CO 0.02 1.06 -1.00 -0.11 0.56 0.00 0.00 179.97 180.49 2khd n LEU 101 N -4.11 -0.65 -4.21 3.04 7.94 0.39 -4.88 117.00 114.52 2khd n LEU 101 Ca 0.00 -1.26 -0.41 0.00 -1.11 0.00 0.00 56.01 53.23 2khd n LEU 101 Cb 0.45 -1.72 -0.05 0.00 0.53 0.00 0.00 43.42 42.63 2khd n LEU 101 CO 0.46 0.73 0.33 -1.61 -1.11 0.00 0.00 177.39 176.19 2khd s GLU 102 N -7.26 3.28 0.00 1.96 0.41 -1.26 -4.95 118.70 110.88 2khd s GLU 102 Ca 0.43 -2.73 0.00 0.00 -0.41 0.00 0.00 54.97 52.26 2khd s GLU 102 Cb -0.22 -4.13 0.00 0.00 -1.78 0.00 0.00 34.13 27.99 2khd s GLU 102 CO 0.96 -1.24 0.00 1.58 -0.49 0.00 0.00 175.26 176.07 2khd n HIS 103 N 3.36 0.00 0.98 1.61 -0.00 -1.26 -4.70 115.22 115.21 2khd n HIS 103 Ca 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.90 2khd n HIS 103 Cb 0.41 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.52 2khd n HIS 103 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2khd n HIS 104 N 0.00 0.43 -0.33 1.57 1.44 -1.26 -4.03 115.22 113.04 2khd n HIS 104 Ca 0.00 -0.19 -0.02 0.00 -2.01 0.00 0.00 57.72 55.51 2khd n HIS 104 Cb 0.00 -0.07 0.11 0.00 0.12 0.00 0.00 29.99 30.15 2khd n HIS 104 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2khd h HIS 105 N 1.41 1.09 -6.94 -1.40 -0.00 -1.93 -3.45 115.15 103.94 2khd h HIS 105 Ca 0.00 0.03 -0.58 0.00 -0.00 0.00 0.00 60.37 59.81 2khd h HIS 105 Cb 0.51 -0.37 -0.25 0.00 -0.00 0.00 0.00 27.41 27.31 2khd h HIS 105 CO 0.22 0.65 -0.89 1.58 -0.00 0.00 0.00 177.93 179.49 2khd n HIS 106 N -4.51 -1.44 -3.82 2.45 -0.00 -1.26 -4.92 115.22 101.72 2khd n HIS 106 Ca 0.11 0.72 -0.13 0.00 0.46 0.00 0.00 57.72 58.88 2khd n HIS 106 Cb 0.07 -2.65 -0.14 0.00 -0.12 0.00 0.00 29.99 27.14 2khd n HIS 106 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2khd s HIS 107 N -3.57 -0.07 -1.30 1.57 5.65 -1.26 -5.21 115.29 111.10 2khd s HIS 107 Ca 0.54 0.21 0.00 0.00 0.25 0.00 0.00 55.06 56.06 2khd s HIS 107 Cb -0.31 -0.03 0.00 0.00 -1.18 0.00 0.00 32.58 31.07 2khd s HIS 107 CO 0.97 -0.06 0.33 1.58 -0.65 0.00 0.00 174.74 176.91