#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ca7 n ASP 2 N 0.00 -0.23 -3.67 3.14 5.75 -1.26 -5.08 116.55 115.20 2ca7 n ASP 2 Ca 0.00 -1.48 -0.13 0.00 -0.01 0.00 0.00 54.79 53.17 2ca7 n ASP 2 Cb 0.00 0.04 -0.08 0.00 -1.03 0.00 0.00 41.12 40.05 2ca7 n ASP 2 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2ca7 s ARG 3 N 0.00 0.68 0.12 0.11 6.06 -1.26 -4.47 118.95 120.19 2ca7 s ARG 3 Ca 0.02 0.84 -0.31 0.00 -2.50 0.00 0.00 55.73 53.79 2ca7 s ARG 3 Cb 0.03 0.31 -0.08 0.00 0.06 0.00 0.00 34.95 35.27 2ca7 s ARG 3 CO -0.01 -0.09 1.33 -2.14 -2.50 0.00 0.00 175.30 171.89 2ca7 s PRO 4 N 0.42 4.36 0.00 5.12 0.02 -1.26 -4.92 135.00 138.74 2ca7 s PRO 4 Ca -0.01 2.00 0.13 0.00 0.02 0.00 0.00 61.00 63.14 2ca7 s PRO 4 Cb -0.04 -3.26 0.67 0.00 0.02 0.00 0.00 34.50 31.89 2ca7 s PRO 4 CO -0.01 -0.35 1.44 0.43 -0.33 0.00 0.00 177.00 178.18 2ca7 n SER 5 N 3.65 0.32 0.00 2.53 7.64 -1.26 -1.73 113.62 124.77 2ca7 n SER 5 Ca 0.10 -1.67 0.13 0.00 1.01 0.00 0.00 58.87 58.43 2ca7 n SER 5 Cb 0.43 -0.03 0.63 0.00 -1.01 0.00 0.00 64.21 64.23 2ca7 n SER 5 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ca7 n LEU 6 N -0.48 0.00 0.07 -3.43 4.77 -1.26 -2.80 117.00 113.86 2ca7 n LEU 6 Ca 0.10 0.38 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 2ca7 n LEU 6 Cb 0.09 -0.38 0.21 0.00 -2.33 0.00 0.00 43.42 41.00 2ca7 n LEU 6 CO 0.07 -0.04 0.44 0.00 -1.33 0.00 0.00 177.39 176.53 2ca7 h ASP 8 N 0.00 0.00 -3.35 0.00 5.19 -1.68 -3.39 116.42 113.19 2ca7 h ASP 8 Ca 0.00 -0.16 -0.56 0.00 -0.62 0.00 0.00 57.03 55.69 2ca7 h ASP 8 Cb 0.76 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.21 2ca7 h ASP 8 CO 0.00 0.08 0.05 -1.48 -3.12 0.00 0.00 179.24 174.77 2ca7 s LEU 9 N -4.55 4.34 1.11 1.55 0.05 -1.25 -5.01 118.68 114.93 2ca7 s LEU 9 Ca 0.05 1.16 -0.13 0.00 0.05 0.00 0.00 54.13 55.26 2ca7 s LEU 9 Cb 0.12 -3.02 0.24 0.00 -2.05 0.00 0.00 46.19 41.48 2ca7 s LEU 9 CO 0.74 -0.05 0.95 -2.65 -0.55 0.00 0.00 176.35 174.79 2ca7 n PRO 10 N 3.46 -1.92 -1.82 1.48 -0.02 -1.26 -4.92 135.00 130.00 2ca7 n PRO 10 Ca -0.03 -0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 60.51 2ca7 n PRO 10 Cb 0.51 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 2ca7 n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ca7 s ALA 11 N -2.44 3.69 -0.15 3.55 0.00 -1.26 -4.95 121.76 120.20 2ca7 s ALA 11 Ca 0.67 1.54 0.01 0.00 0.00 0.00 0.00 51.96 54.18 2ca7 s ALA 11 Cb -0.24 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.26 2ca7 s ALA 11 CO 0.64 -0.96 -0.18 0.34 0.00 0.00 0.00 175.76 175.59 2ca7 s ASP 12 N 0.32 3.39 0.04 0.00 2.15 -1.26 -4.96 116.67 116.34 2ca7 s ASP 12 Ca 0.60 -0.54 0.22 0.00 0.43 0.00 0.00 52.55 53.26 2ca7 s ASP 12 Cb -0.47 -1.51 -0.19 0.00 -0.30 0.00 0.00 42.92 40.45 2ca7 s ASP 12 CO 0.51 0.07 0.73 -1.20 -0.17 0.00 0.00 175.17 175.10 2ca7 n SER 13 N 4.13 0.37 -1.00 -0.34 7.64 -1.26 -4.45 113.62 118.71 2ca7 n SER 13 Ca -0.20 -0.04 0.13 0.00 1.01 0.00 0.00 58.87 59.77 2ca7 n SER 13 Cb 0.51 1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 65.05 2ca7 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ca7 n GLY 14 N 1.28 -2.52 1.46 0.23 0.00 -1.25 -0.74 105.19 103.65 2ca7 n GLY 14 Ca -0.02 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 2ca7 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ca7 n SER 15 N -3.74 3.68 -3.06 1.61 7.64 -1.26 -4.73 113.62 113.76 2ca7 n SER 15 Ca -0.03 -3.81 -0.16 0.00 1.01 0.00 0.00 58.87 55.88 2ca7 n SER 15 Cb 0.47 -0.53 0.13 0.00 -1.01 0.00 0.00 64.21 63.27 2ca7 n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ca7 n GLY 16 N -0.95 -2.77 0.02 0.23 0.00 -1.25 -5.00 105.19 95.47 2ca7 n GLY 16 Ca 0.37 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 45.03 2ca7 n GLY 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ca7 n THR 17 N -3.82 0.00 -3.95 2.61 -1.04 -1.26 -4.96 114.28 101.85 2ca7 n THR 17 Ca 0.08 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.05 61.81 2ca7 n THR 17 Cb 0.31 1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 69.79 2ca7 n THR 17 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ca7 s LYS 18 N -2.77 3.01 -0.17 -2.82 2.36 -1.23 -5.11 119.74 113.02 2ca7 s LYS 18 Ca 0.08 -1.04 0.01 0.00 -2.55 0.00 0.00 55.97 52.47 2ca7 s LYS 18 Cb 0.14 -2.64 0.01 0.00 -1.05 0.00 0.00 37.83 34.30 2ca7 s LYS 18 CO 0.77 0.31 -0.20 0.00 1.55 0.00 0.00 175.35 177.78 2ca7 s ALA 19 N -2.14 2.33 -0.04 3.13 0.00 -1.26 -4.51 121.76 119.26 2ca7 s ALA 19 Ca 0.36 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 2ca7 s ALA 19 Cb -0.08 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 21.93 2ca7 s ALA 19 CO 0.27 -0.22 0.11 -2.00 0.00 0.00 0.00 175.76 173.92 2ca7 s GLU 20 N 1.09 0.10 -0.51 0.00 2.12 -1.01 -5.04 118.70 115.44 2ca7 s GLU 20 Ca 0.00 0.20 -0.23 0.00 0.36 0.00 0.00 54.97 55.30 2ca7 s GLU 20 Cb -0.14 -0.03 0.04 0.00 0.26 0.00 0.00 34.13 34.26 2ca7 s GLU 20 CO -0.08 -0.06 0.86 0.21 -0.54 0.00 0.00 175.26 175.65 2ca7 s LYS 21 N 0.42 3.34 0.19 4.30 2.47 -1.26 -1.73 119.74 127.46 2ca7 s LYS 21 Ca -0.03 -0.27 0.02 0.00 -1.56 0.00 0.00 55.97 54.12 2ca7 s LYS 21 Cb -0.04 -4.02 -0.01 0.00 -1.46 0.00 0.00 37.83 32.30 2ca7 s LYS 21 CO -0.02 -1.34 0.06 0.54 0.16 0.00 0.00 175.35 174.76 2ca7 n ARG 22 N 7.08 0.82 -4.00 4.03 5.12 -0.87 -4.97 116.66 123.87 2ca7 n ARG 22 Ca 0.01 -1.55 -0.12 0.00 -1.93 0.00 0.00 57.85 54.26 2ca7 n ARG 22 Cb 0.47 0.82 -0.13 0.00 -1.16 0.00 0.00 32.46 32.46 2ca7 n ARG 22 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2ca7 s ILE 23 N -2.20 0.23 0.17 0.55 2.07 -0.44 -2.30 121.20 119.28 2ca7 s ILE 23 Ca 0.09 -0.51 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 2ca7 s ILE 23 Cb 0.00 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 2ca7 s ILE 23 CO 0.06 -0.19 -0.00 -0.72 -1.91 0.00 0.00 174.94 172.18 2ca7 s TYR 24 N -0.70 1.19 -0.48 3.50 1.13 0.35 -0.16 117.35 122.19 2ca7 s TYR 24 Ca -0.06 -1.01 -0.26 0.00 -1.41 0.00 0.00 57.07 54.34 2ca7 s TYR 24 Cb -0.05 -0.68 0.03 0.00 -1.10 0.00 0.00 41.96 40.16 2ca7 s TYR 24 CO -0.00 -0.21 0.95 -0.47 -2.51 0.00 0.00 175.55 173.31 2ca7 s TYR 25 N -3.65 2.89 -0.23 -3.49 5.04 -1.26 -0.46 117.35 116.19 2ca7 s TYR 25 Ca 0.23 0.36 -0.29 0.00 -2.44 0.00 0.00 57.07 54.93 2ca7 s TYR 25 Cb 0.06 -4.03 -0.01 0.00 0.35 0.00 0.00 41.96 38.33 2ca7 s TYR 25 CO 0.03 -1.15 1.34 1.21 -1.34 0.00 0.00 175.55 175.64 2ca7 s ASN 26 N 2.36 6.74 0.16 4.32 3.84 0.67 -4.84 114.94 128.18 2ca7 s ASN 26 Ca 0.37 1.49 -0.10 0.00 0.21 0.00 0.00 52.86 54.84 2ca7 s ASN 26 Cb -0.10 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 38.08 2ca7 s ASN 26 CO 0.26 -0.98 1.54 0.77 -2.79 0.00 0.00 177.10 175.90 2ca7 h SER 27 N 9.08 1.00 -0.01 -4.21 4.64 -1.83 -0.47 113.55 121.75 2ca7 h SER 27 Ca -0.28 -0.40 -0.25 0.00 -0.47 0.00 0.00 61.79 60.39 2ca7 h SER 27 Cb 1.11 -0.28 0.02 0.00 -0.31 0.00 0.00 62.40 62.94 2ca7 h SER 27 CO 1.00 1.19 -0.98 0.00 -0.87 0.00 0.00 176.83 177.17 2ca7 h ALA 28 N 0.87 0.13 0.00 5.18 0.00 -1.93 -3.11 119.26 120.41 2ca7 h ALA 28 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2ca7 h ALA 28 Cb 0.84 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2ca7 h ALA 28 CO 0.07 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.51 2ca7 n ARG 29 N -3.90 0.24 -3.12 0.00 5.12 -1.20 -4.90 116.66 108.89 2ca7 n ARG 29 Ca -0.11 0.25 -0.22 0.00 -1.93 0.00 0.00 57.85 55.84 2ca7 n ARG 29 Cb 0.85 -1.81 0.01 0.00 -1.16 0.00 0.00 32.46 30.35 2ca7 n ARG 29 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2ca7 n LYS 30 N -2.23 -3.78 -4.03 5.56 4.81 -0.22 -4.96 118.16 113.31 2ca7 n LYS 30 Ca 0.05 0.65 -0.13 0.00 -0.87 0.00 0.00 58.31 58.01 2ca7 n LYS 30 Cb 0.39 -5.40 -0.13 0.00 0.02 0.00 0.00 35.03 29.90 2ca7 n LYS 30 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2ca7 s GLN 31 N -5.78 0.30 0.03 1.64 -0.21 -1.00 -4.97 119.66 109.67 2ca7 s GLN 31 Ca 0.32 -0.31 -0.27 0.00 0.02 0.00 0.00 55.36 55.12 2ca7 s GLN 31 Cb -0.16 -0.19 -0.05 0.00 1.00 0.00 0.00 33.01 33.62 2ca7 s GLN 31 CO 0.39 0.04 0.84 0.00 -2.12 0.00 0.00 175.29 174.44 2ca7 s LEU 33 N 0.34 2.28 0.22 0.00 1.02 0.39 -4.88 118.68 118.05 2ca7 s LEU 33 Ca 0.43 -0.61 -0.30 0.00 0.02 0.00 0.00 54.13 53.67 2ca7 s LEU 33 Cb -0.21 -0.43 -0.08 0.00 0.02 0.00 0.00 46.19 45.49 2ca7 s LEU 33 CO 0.24 -0.11 1.04 -0.60 0.02 0.00 0.00 176.35 176.95 2ca7 s ARG 34 N -1.75 4.69 0.19 1.70 3.00 -1.26 -0.49 118.95 125.03 2ca7 s ARG 34 Ca -0.03 1.65 -0.03 0.00 -1.00 0.00 0.00 55.73 56.32 2ca7 s ARG 34 Cb -0.10 -3.26 -0.03 0.00 0.00 0.00 0.00 34.95 31.56 2ca7 s ARG 34 CO 0.02 0.25 0.17 -0.59 0.00 0.00 0.00 175.30 175.15 2ca7 s PHE 35 N -0.73 0.95 -0.56 5.12 -0.71 -0.97 -4.95 117.98 116.13 2ca7 s PHE 35 Ca 0.45 -1.23 -0.12 0.00 -1.04 0.00 0.00 56.93 55.00 2ca7 s PHE 35 Cb -0.29 -0.41 0.14 0.00 -1.21 0.00 0.00 43.02 41.25 2ca7 s PHE 35 CO 0.35 -0.67 0.47 0.34 -1.34 0.00 0.00 175.22 174.38 2ca7 s ASP 36 N -3.11 6.00 0.17 1.98 2.15 -1.26 -2.04 116.67 120.57 2ca7 s ASP 36 Ca 0.33 -2.05 -0.24 0.00 0.43 0.00 0.00 52.55 51.01 2ca7 s ASP 36 Cb 0.06 -2.10 -0.08 0.00 -0.30 0.00 0.00 42.92 40.50 2ca7 s ASP 36 CO 0.09 -0.71 0.76 -0.47 -0.17 0.00 0.00 175.17 174.67 2ca7 s TYR 37 N 1.17 3.87 -0.16 -5.34 5.04 -0.70 -4.62 117.35 116.62 2ca7 s TYR 37 Ca 0.07 1.59 0.17 0.00 -2.44 0.00 0.00 57.07 56.47 2ca7 s TYR 37 Cb -0.25 -2.74 -0.25 0.00 0.35 0.00 0.00 41.96 39.07 2ca7 s TYR 37 CO -0.01 0.49 0.24 0.25 -1.34 0.00 0.00 175.55 175.19 2ca7 n THR 38 N 1.47 1.33 0.00 4.34 -2.24 0.08 -2.42 114.28 116.85 2ca7 n THR 38 Ca -0.05 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 2ca7 n THR 38 Cb 0.49 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2ca7 n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ca7 n GLY 39 N 1.67 1.34 2.80 3.38 0.00 -1.26 -3.53 105.19 109.58 2ca7 n GLY 39 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 2ca7 n GLY 39 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ca7 s GLN 40 N 0.00 -0.03 0.00 1.61 2.00 -1.26 -4.98 119.66 117.00 2ca7 s GLN 40 Ca 0.00 0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.49 2ca7 s GLN 40 Cb 0.00 -0.17 0.00 0.00 0.80 0.00 0.00 33.01 33.64 2ca7 s GLN 40 CO 0.00 -0.12 0.00 0.41 -0.50 0.00 0.00 175.29 175.08 2ca7 n GLY 41 N 3.86 0.86 0.00 2.59 0.00 -1.26 -3.82 105.19 107.42 2ca7 n GLY 41 Ca -0.23 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2ca7 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ca7 n GLY 42 N -0.41 3.72 3.16 -0.02 0.00 -1.26 -3.95 105.19 106.44 2ca7 n GLY 42 Ca 0.00 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 2ca7 n GLY 42 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ca7 s ASN 43 N -0.06 0.49 0.26 1.61 0.02 -1.26 -4.94 114.94 111.06 2ca7 s ASN 43 Ca 0.00 -1.18 0.04 0.00 -1.02 0.00 0.00 52.86 50.70 2ca7 s ASN 43 Cb 0.00 0.25 0.33 0.00 0.02 0.00 0.00 41.25 41.85 2ca7 s ASN 43 CO 0.00 -0.69 1.63 -0.33 0.02 0.00 0.00 177.10 177.73 2ca7 h GLU 44 N 2.87 0.32 -5.41 -0.60 5.08 -1.96 -3.37 114.58 111.50 2ca7 h GLU 44 Ca -0.35 -0.18 -0.24 0.00 -1.00 0.00 0.00 59.36 57.60 2ca7 h GLU 44 Cb 1.19 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 2ca7 h GLU 44 CO 0.60 0.73 0.73 1.21 -1.00 0.00 0.00 179.01 181.29 2ca7 s ASN 45 N -6.88 4.60 -0.13 1.42 3.84 -1.26 -4.77 114.94 111.77 2ca7 s ASN 45 Ca -0.05 -1.28 -0.04 0.00 0.21 0.00 0.00 52.86 51.70 2ca7 s ASN 45 Cb 0.13 -2.59 0.06 0.00 -0.55 0.00 0.00 41.25 38.30 2ca7 s ASN 45 CO 0.79 -3.49 0.12 0.21 -2.79 0.00 0.00 177.10 171.95 2ca7 s ASN 46 N 7.41 1.54 -0.09 -4.21 3.84 -1.26 -4.55 114.94 117.61 2ca7 s ASN 46 Ca 0.73 -0.17 0.01 0.00 0.21 0.00 0.00 52.86 53.64 2ca7 s ASN 46 Cb -0.03 0.01 -0.03 0.00 -0.55 0.00 0.00 41.25 40.65 2ca7 s ASN 46 CO 0.12 -0.30 -0.09 -0.36 -2.79 0.00 0.00 177.10 173.68 2ca7 s PHE 47 N 2.21 2.87 -0.23 0.43 0.08 0.77 -4.98 117.98 119.13 2ca7 s PHE 47 Ca 0.04 -0.21 0.22 0.00 0.12 0.00 0.00 56.93 57.11 2ca7 s PHE 47 Cb -0.14 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2ca7 s PHE 47 CO -0.07 0.13 1.03 -2.13 -0.10 0.00 0.00 175.22 174.08 2ca7 n ARG 48 N 2.72 0.60 -3.87 0.44 0.63 -1.26 -1.33 116.66 114.59 2ca7 n ARG 48 Ca -0.18 0.12 -0.11 0.00 -0.92 0.00 0.00 57.85 56.76 2ca7 n ARG 48 Cb 0.53 -1.82 -0.12 0.00 0.45 0.00 0.00 32.46 31.49 2ca7 n ARG 48 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2ca7 s ARG 49 N -3.37 0.23 0.20 -0.14 6.06 -1.26 -4.88 118.95 115.80 2ca7 s ARG 49 Ca -0.01 -0.13 -0.10 0.00 -2.50 0.00 0.00 55.73 53.00 2ca7 s ARG 49 Cb 0.10 0.09 0.20 0.00 0.06 0.00 0.00 34.95 35.40 2ca7 s ARG 49 CO 0.79 -0.04 1.82 1.15 -2.50 0.00 0.00 175.30 176.53 2ca7 h THR 50 N 4.78 1.03 -0.16 4.11 2.02 -1.96 -2.35 112.91 120.39 2ca7 h THR 50 Ca -0.27 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 2ca7 h THR 50 Cb 1.20 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2ca7 h THR 50 CO 0.43 0.14 -0.32 0.22 0.37 0.00 0.00 175.52 176.36 2ca7 h TYR 51 N 0.74 0.35 -0.42 3.16 3.20 -1.97 -0.32 116.97 121.70 2ca7 h TYR 51 Ca 0.28 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.11 2ca7 h TYR 51 Cb 0.09 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 2ca7 h TYR 51 CO -0.06 0.60 0.19 -0.44 -1.64 0.00 0.00 178.16 176.81 2ca7 h ASP 52 N 0.27 0.25 -0.14 -2.11 5.19 -1.85 0.82 116.42 118.85 2ca7 h ASP 52 Ca 0.03 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2ca7 h ASP 52 Cb 0.70 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 2ca7 h ASP 52 CO 0.05 0.18 0.09 0.00 -3.12 0.00 0.00 179.24 176.45 2ca7 h GLN 54 N 0.18 -0.43 -0.21 0.00 4.15 -0.68 0.16 115.11 118.28 2ca7 h GLN 54 Ca 0.05 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 2ca7 h GLN 54 Cb -0.02 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2ca7 h GLN 54 CO -0.01 -0.29 0.02 -0.09 -1.93 0.00 0.00 178.83 176.53 2ca7 h ARG 55 N -0.44 0.36 0.17 1.69 2.43 0.68 -0.59 114.38 118.68 2ca7 h ARG 55 Ca -0.01 -0.10 -0.25 0.00 -0.81 0.00 0.00 59.98 58.81 2ca7 h ARG 55 Cb 0.40 -0.04 0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2ca7 h ARG 55 CO -0.02 0.52 -1.08 0.00 -1.51 0.00 0.00 179.97 177.88 2ca7 h THR 56 N 0.15 1.40 0.00 0.20 1.03 -1.15 -3.35 112.91 111.19 2ca7 h THR 56 Ca 0.06 -2.56 0.00 0.00 -0.01 0.00 0.00 66.41 63.90 2ca7 h THR 56 Cb 0.34 3.06 0.00 0.00 -1.07 0.00 0.00 68.15 70.49 2ca7 h THR 56 CO 0.01 0.75 -1.76 0.00 -0.01 0.00 0.00 175.52 174.50 2ca7 n LEU 58 N -2.17 0.00 -4.51 0.00 -0.00 -0.25 -4.59 117.00 105.48 2ca7 n LEU 58 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.56 2ca7 n LEU 58 Cb 0.53 0.23 -0.02 0.00 -0.00 0.00 0.00 43.42 44.16 2ca7 n LEU 58 CO 0.45 0.23 1.35 -0.31 -0.00 0.00 0.00 177.39 179.11 2ca7 s TYR 59 N -2.97 2.91 -2.46 1.96 2.02 -1.11 -5.04 117.35 112.66 2ca7 s TYR 59 Ca -0.09 -1.31 0.28 0.00 -0.37 0.00 0.00 57.07 55.59 2ca7 s TYR 59 Cb 0.10 -4.50 1.12 0.00 -0.40 0.00 0.00 41.96 38.27 2ca7 s TYR 59 CO 0.83 -1.69 1.78 -2.37 -1.57 0.00 0.00 175.55 172.54