#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i61 s ASP 1 N 0.00 4.07 0.00 6.12 1.01 -1.26 -0.51 116.67 126.09 2i61 s ASP 1 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 52.55 52.99 2i61 s ASP 1 Cb 0.00 -1.38 0.00 0.00 1.01 0.00 0.00 42.92 42.55 2i61 s ASP 1 CO 0.00 0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.22 2i61 n GLY 2 N 3.12 -0.60 3.82 0.21 0.00 -0.01 -4.99 105.19 106.74 2i61 n GLY 2 Ca -0.18 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 2i61 n GLY 2 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i61 s TYR 3 N -3.90 3.63 -0.12 1.61 2.02 -1.26 -0.76 117.35 118.56 2i61 s TYR 3 Ca 0.00 1.32 -0.29 0.00 -0.37 0.00 0.00 57.07 57.74 2i61 s TYR 3 Cb 0.00 -2.57 -0.01 0.00 -0.40 0.00 0.00 41.96 38.98 2i61 s TYR 3 CO 0.00 0.35 0.97 0.42 -1.57 0.00 0.00 175.55 175.72 2i61 s ILE 4 N -1.53 4.80 -0.36 2.71 1.01 -1.26 -0.99 121.20 125.59 2i61 s ILE 4 Ca 0.42 1.97 -0.20 0.00 0.00 0.00 0.00 60.65 62.84 2i61 s ILE 4 Cb -0.16 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.03 2i61 s ILE 4 CO 0.20 0.00 0.63 -0.75 0.00 0.00 0.00 174.94 175.03 2i61 s LYS 5 N 2.08 3.67 0.89 2.79 2.20 0.06 -1.29 119.74 130.13 2i61 s LYS 5 Ca 0.46 0.04 -0.11 0.00 -0.36 0.00 0.00 55.97 56.00 2i61 s LYS 5 Cb -0.18 -3.81 0.12 0.00 -1.51 0.00 0.00 37.83 32.45 2i61 s LYS 5 CO 0.16 -0.74 1.09 1.03 -0.36 0.00 0.00 175.35 176.53 2i61 s ARG 6 N 2.71 1.32 0.34 4.03 0.52 -0.15 -4.79 118.95 122.92 2i61 s ARG 6 Ca 0.24 0.99 0.03 0.00 -0.52 0.00 0.00 55.73 56.47 2i61 s ARG 6 Cb -0.14 -1.80 0.65 0.00 0.52 0.00 0.00 34.95 34.17 2i61 s ARG 6 CO 0.15 -2.24 1.96 -0.09 0.02 0.00 0.00 175.30 175.09 2i61 h ARG 7 N -1.56 0.84 0.00 3.54 2.43 -1.97 0.23 114.38 117.89 2i61 h ARG 7 Ca -0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2i61 h ARG 7 Cb 1.27 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2i61 h ARG 7 CO 0.52 0.56 0.00 -0.40 -1.51 0.00 0.00 179.97 179.14 2i61 n ASP 8 N -4.47 0.00 0.00 -3.80 5.68 -1.26 -4.87 116.55 107.83 2i61 n ASP 8 Ca 0.10 -0.56 0.00 0.00 -0.50 0.00 0.00 54.79 53.84 2i61 n ASP 8 Cb 0.17 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2i61 n ASP 8 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i61 n GLY 9 N 0.18 2.26 3.89 6.12 0.00 0.07 -3.76 105.19 113.96 2i61 n GLY 9 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2i61 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i61 s LYS 11 N -5.15 4.51 -0.07 0.00 1.02 -1.26 -0.98 119.74 117.81 2i61 s LYS 11 Ca 0.55 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 57.45 2i61 s LYS 11 Cb -0.11 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 2i61 s LYS 11 CO 0.50 0.33 1.59 0.08 -0.92 0.00 0.00 175.35 176.93 2i61 s VAL 12 N -1.56 3.69 0.26 3.17 1.01 -0.42 -4.89 120.40 121.66 2i61 s VAL 12 Ca 0.47 0.84 -0.13 0.00 0.00 0.00 0.00 61.98 63.16 2i61 s VAL 12 Cb -0.19 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 2i61 s VAL 12 CO 0.23 -0.07 0.64 0.00 0.00 0.00 0.00 175.10 175.90 2i61 s ALA 13 N 3.90 3.45 -0.83 5.51 0.00 -1.26 -1.06 121.76 131.47 2i61 s ALA 13 Ca 0.70 -0.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.32 2i61 s ALA 13 Cb -0.32 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.21 2i61 s ALA 13 CO 0.27 0.42 1.53 0.00 0.00 0.00 0.00 175.76 177.98 2i61 n LEU 15 N 10.51 1.43 0.04 0.00 4.77 -1.26 -0.62 117.00 131.86 2i61 n LEU 15 Ca 0.21 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 2i61 n LEU 15 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2i61 n LEU 15 CO 0.68 0.36 -0.15 -0.38 -1.33 0.00 0.00 177.39 176.57 2i61 n ILE 16 N -0.25 0.87 -2.65 -0.08 5.41 -1.26 -5.07 119.36 116.33 2i61 n ILE 16 Ca 0.00 0.29 0.00 0.00 1.00 0.00 0.00 62.75 64.04 2i61 n ILE 16 Cb 0.14 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.51 2i61 n ILE 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2i61 n GLY 17 N 3.35 -0.34 0.11 7.39 0.00 -1.26 -4.85 105.19 109.59 2i61 n GLY 17 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 2i61 n GLY 17 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2i61 h ASN 18 N 0.00 -0.18 -0.30 1.61 -0.26 -1.93 -0.44 115.58 114.08 2i61 h ASN 18 Ca 0.00 0.03 -0.09 0.00 -0.56 0.00 0.00 56.30 55.68 2i61 h ASN 18 Cb 0.00 0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 2i61 h ASN 18 CO 0.00 -0.09 -0.13 -0.08 -1.06 0.00 0.00 177.43 176.06 2i61 h GLU 19 N -0.10 0.74 -0.59 0.81 4.81 -1.93 -0.52 114.58 117.79 2i61 h GLU 19 Ca 0.03 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2i61 h GLU 19 Cb 0.15 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2i61 h GLU 19 CO -0.08 0.84 0.37 0.78 -0.73 0.00 0.00 179.01 180.19 2i61 h GLY 20 N 0.97 0.84 1.13 1.92 0.00 -1.83 0.10 103.07 106.20 2i61 h GLY 20 Ca 0.11 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2i61 h GLY 20 CO 0.04 0.26 0.29 0.00 0.00 0.00 0.00 176.54 177.13 2i61 h ASP 22 N 1.07 0.51 -0.36 0.00 3.58 -0.50 -0.20 116.42 120.53 2i61 h ASP 22 Ca 0.25 -0.19 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 2i61 h ASP 22 Cb 0.22 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2i61 h ASP 22 CO -0.02 0.56 -0.40 0.11 -2.88 0.00 0.00 179.24 176.61 2i61 h LYS 23 N 0.43 0.92 -0.57 0.28 1.57 -0.88 -0.21 116.57 118.12 2i61 h LYS 23 Ca 0.12 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 2i61 h LYS 23 Cb 0.22 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2i61 h LYS 23 CO -0.01 1.15 0.30 0.93 -0.57 0.00 0.00 179.45 181.25 2i61 h GLU 24 N 0.75 0.80 -0.12 3.15 4.39 -1.11 0.37 114.58 122.81 2i61 h GLU 24 Ca 0.06 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.70 2i61 h GLU 24 Cb 1.00 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 2i61 h GLU 24 CO 0.10 0.63 -0.19 0.00 -1.16 0.00 0.00 179.01 178.39 2i61 h LYS 26 N -0.24 1.26 0.00 0.00 1.57 -0.84 0.95 116.57 119.27 2i61 h LYS 26 Ca 0.10 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i61 h LYS 26 Cb 0.38 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2i61 h LYS 26 CO -0.26 0.86 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 2i61 h ALA 27 N 1.37 1.00 -0.62 3.86 0.00 -0.32 -1.31 119.26 123.23 2i61 h ALA 27 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2i61 h ALA 27 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2i61 h ALA 27 CO -0.07 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.84 2i61 n TYR 28 N -2.97 1.49 -0.18 0.00 4.02 -0.56 -4.94 117.16 114.02 2i61 n TYR 28 Ca 0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 57.90 57.31 2i61 n TYR 28 Cb 0.27 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 2i61 n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2i61 n GLY 29 N 1.09 0.61 3.94 2.72 0.00 -0.49 -4.53 105.19 108.53 2i61 n GLY 29 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 2i61 n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i61 s GLY 30 N -1.24 1.74 -0.21 -0.02 0.00 0.27 -4.57 107.32 103.29 2i61 s GLY 30 Ca 0.00 -1.19 -0.17 0.00 0.00 0.00 0.00 44.72 43.36 2i61 s GLY 30 CO 0.00 -0.53 -0.05 1.44 0.00 0.00 0.00 173.10 173.96 2i61 n SER 31 N -3.45 1.88 -3.70 1.64 7.64 0.66 -4.14 113.62 114.15 2i61 n SER 31 Ca 0.13 0.43 -0.11 0.00 1.01 0.00 0.00 58.87 60.34 2i61 n SER 31 Cb 0.60 -0.89 -0.11 0.00 -1.01 0.00 0.00 64.21 62.79 2i61 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2i61 s TYR 32 N -2.42 -0.54 0.21 1.43 2.02 -1.20 -4.81 117.35 112.03 2i61 s TYR 32 Ca -0.29 1.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.60 2i61 s TYR 32 Cb 0.07 0.21 -0.05 0.00 -0.40 0.00 0.00 41.96 41.79 2i61 s TYR 32 CO 0.49 -0.32 0.02 0.20 -1.57 0.00 0.00 175.55 174.36 2i61 s GLY 33 N 1.43 1.43 0.27 0.71 0.00 -1.26 -0.57 107.32 109.33 2i61 s GLY 33 Ca -0.09 -1.70 -0.21 0.00 0.00 0.00 0.00 44.72 42.72 2i61 s GLY 33 CO -0.12 -1.59 0.76 -2.52 0.00 0.00 0.00 173.10 169.63 2i61 s TYR 34 N -3.59 -0.16 -0.62 1.90 -0.85 -0.31 -3.22 117.35 110.51 2i61 s TYR 34 Ca 0.28 -0.30 -0.15 0.00 -0.52 0.00 0.00 57.07 56.38 2i61 s TYR 34 Cb 0.06 0.71 0.16 0.00 0.38 0.00 0.00 41.96 43.27 2i61 s TYR 34 CO 0.07 -1.22 0.57 0.00 -1.52 0.00 0.00 175.55 173.45 2i61 h TRP 36 N 8.48 0.01 -2.86 0.00 5.08 -1.92 -3.44 115.95 121.29 2i61 h TRP 36 Ca -0.16 -0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.66 2i61 h TRP 36 Cb 1.08 -0.00 -0.27 0.00 -3.00 0.00 0.00 29.16 26.97 2i61 h TRP 36 CO 0.81 0.79 -0.35 0.99 -1.28 0.00 0.00 178.44 179.40 2i61 s THR 37 N -3.20 -0.02 0.22 0.12 2.01 -1.26 -5.13 115.64 108.38 2i61 s THR 37 Ca -0.00 0.07 -0.32 0.00 0.31 0.00 0.00 61.69 61.74 2i61 s THR 37 Cb 0.11 -0.49 -0.13 0.00 0.01 0.00 0.00 72.50 72.00 2i61 s THR 37 CO 0.79 0.03 1.51 1.87 -0.69 0.00 0.00 174.62 178.13 2i61 n TRP 38 N 3.66 2.36 0.00 4.92 -0.00 -1.26 -2.28 117.44 124.84 2i61 n TRP 38 Ca -0.19 0.33 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 2i61 n TRP 38 Cb 0.56 -2.52 0.00 0.00 -0.00 0.00 0.00 31.31 29.34 2i61 n TRP 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2i61 n GLY 39 N 2.64 2.59 3.99 5.87 0.00 0.21 -4.99 105.19 115.51 2i61 n GLY 39 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2i61 n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i61 s LEU 40 N 0.00 3.38 0.29 0.99 1.43 -0.96 -4.51 118.68 119.29 2i61 s LEU 40 Ca 0.00 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 2i61 s LEU 40 Cb 0.00 -2.61 -0.13 0.00 0.03 0.00 0.00 46.19 43.48 2i61 s LEU 40 CO 0.00 -1.08 1.38 0.00 0.23 0.00 0.00 176.35 176.89 2i61 n ALA 41 N -2.19 1.35 -1.67 4.21 0.00 -1.26 -0.37 120.51 120.58 2i61 n ALA 41 Ca 0.09 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.55 2i61 n ALA 41 Cb 0.60 -2.29 0.06 0.00 0.00 0.00 0.00 19.45 17.82 2i61 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i61 s TRP 43 N -1.45 3.46 -0.04 0.00 -0.11 -0.54 -4.33 118.94 115.94 2i61 s TRP 43 Ca 0.79 0.39 -0.00 0.00 1.22 0.00 0.00 56.10 58.50 2i61 s TRP 43 Cb -0.40 -2.01 0.03 0.00 -1.50 0.00 0.00 33.47 29.59 2i61 s TRP 43 CO 0.44 0.51 0.02 0.00 -4.62 0.00 0.00 176.95 173.30 2i61 s GLU 45 N 1.39 3.67 0.00 0.00 2.02 0.26 -0.83 118.70 125.21 2i61 s GLU 45 Ca -0.05 0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.97 2i61 s GLU 45 Cb -0.13 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.12 2i61 s GLU 45 CO -0.03 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.22 2i61 n GLY 46 N 0.73 0.45 3.78 -1.39 0.00 -0.71 -0.24 105.19 107.80 2i61 n GLY 46 Ca -0.07 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 2i61 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i61 s LEU 47 N 0.00 4.25 0.60 0.99 1.43 0.33 -3.99 118.68 122.29 2i61 s LEU 47 Ca 0.00 2.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.95 2i61 s LEU 47 Cb 0.00 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 2i61 s LEU 47 CO 0.00 -0.36 1.27 -2.84 0.23 0.00 0.00 176.35 174.65 2i61 s PRO 48 N -2.24 2.86 0.29 1.29 0.02 -1.26 -0.12 135.00 135.84 2i61 s PRO 48 Ca 0.54 1.99 0.04 0.00 0.02 0.00 0.00 61.00 63.59 2i61 s PRO 48 Cb -0.23 -1.96 0.71 0.00 0.02 0.00 0.00 34.50 33.03 2i61 s PRO 48 CO 0.29 -1.34 1.74 -0.44 -0.33 0.00 0.00 177.00 176.92 2i61 h ASP 49 N 0.88 0.55 0.30 2.53 3.32 -1.94 -0.96 116.42 121.10 2i61 h ASP 49 Ca -0.51 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2i61 h ASP 49 Cb 1.31 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.90 2i61 h ASP 49 CO 0.55 0.14 0.00 -0.90 -1.72 0.00 0.00 179.24 177.31 2i61 n ASP 50 N -4.90 0.00 -0.13 6.45 5.68 -1.26 -2.06 116.55 120.33 2i61 n ASP 50 Ca 0.22 0.04 0.06 0.00 -0.50 0.00 0.00 54.79 54.61 2i61 n ASP 50 Cb 0.59 -0.28 0.10 0.00 -1.14 0.00 0.00 41.12 40.40 2i61 n ASP 50 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2i61 n LYS 51 N -1.28 2.06 -3.98 0.11 5.02 -0.38 -4.95 118.16 114.76 2i61 n LYS 51 Ca 0.08 -2.20 -0.35 0.00 -2.02 0.00 0.00 58.31 53.82 2i61 n LYS 51 Cb 0.13 -1.34 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 2i61 n LYS 51 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2i61 s THR 52 N -2.14 4.94 0.21 -0.18 2.01 -0.87 -0.76 115.64 118.85 2i61 s THR 52 Ca 0.21 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 2i61 s THR 52 Cb 0.18 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.39 2i61 s THR 52 CO 0.03 0.50 1.33 0.86 -0.69 0.00 0.00 174.62 176.64 2i61 s TRP 53 N 0.02 3.21 -0.01 4.92 -0.00 -0.16 -4.70 118.94 122.23 2i61 s TRP 53 Ca 0.07 1.20 0.02 0.00 -0.00 0.00 0.00 56.10 57.39 2i61 s TRP 53 Cb -0.12 -3.64 -0.00 0.00 -0.00 0.00 0.00 33.47 29.71 2i61 s TRP 53 CO 0.01 -1.99 -0.08 0.15 -0.00 0.00 0.00 176.95 175.03 2i61 s LYS 54 N -0.23 0.68 0.27 5.86 1.02 -1.26 -4.73 119.74 121.34 2i61 s LYS 54 Ca 0.57 -0.27 -0.02 0.00 0.02 0.00 0.00 55.97 56.27 2i61 s LYS 54 Cb -0.37 -0.66 0.35 0.00 -0.52 0.00 0.00 37.83 36.63 2i61 s LYS 54 CO 0.40 0.15 1.79 0.66 -0.92 0.00 0.00 175.35 177.42 2i61 h SER 55 N 6.08 0.78 0.48 2.83 4.64 -1.99 -2.66 113.55 123.71 2i61 h SER 55 Ca -0.31 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 60.78 2i61 h SER 55 Cb 1.18 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2i61 h SER 55 CO 0.50 0.81 -0.33 1.05 -0.87 0.00 0.00 176.83 177.98 2i61 h GLU 56 N 0.79 0.00 0.00 4.77 9.09 -2.02 -3.02 114.58 124.19 2i61 h GLU 56 Ca 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.55 2i61 h GLU 56 Cb 0.37 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.42 2i61 h GLU 56 CO 0.01 0.33 -0.56 0.25 0.05 0.00 0.00 179.01 179.09 2i61 n THR 57 N -3.88 1.92 -1.68 -1.06 -2.24 -1.19 -5.05 114.28 101.09 2i61 n THR 57 Ca -0.01 -2.94 -0.43 0.00 -2.27 0.00 0.00 64.05 58.40 2i61 n THR 57 Cb 0.40 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 2i61 n THR 57 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2i61 n ASN 58 N -0.92 3.92 -0.05 3.42 5.15 -1.01 -4.86 115.26 120.91 2i61 n ASN 58 Ca 0.17 0.98 0.06 0.00 -0.60 0.00 0.00 54.58 55.18 2i61 n ASN 58 Cb 0.75 -1.51 0.08 0.00 -0.53 0.00 0.00 39.78 38.57 2i61 n ASN 58 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2i61 n THR 59 N 4.83 1.46 -2.09 -0.44 -2.24 -1.26 -5.01 114.28 109.53 2i61 n THR 59 Ca 0.19 -1.68 -0.39 0.00 -2.27 0.00 0.00 64.05 59.90 2i61 n THR 59 Cb 0.36 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2i61 n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50