#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ca7 s ASP 2 N 0.00 2.73 0.00 3.14 2.15 -1.26 -4.86 116.67 118.57 2ca7 s ASP 2 Ca 0.00 -1.22 0.00 0.00 0.43 0.00 0.00 52.55 51.76 2ca7 s ASP 2 Cb 0.00 -0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.46 2ca7 s ASP 2 CO 0.00 -0.39 0.00 0.54 -0.17 0.00 0.00 175.17 175.15 2ca7 n ARG 3 N -0.61 0.00 -2.28 4.34 1.74 -1.26 -4.89 116.66 113.71 2ca7 n ARG 3 Ca -0.05 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 2ca7 n ARG 3 Cb 0.64 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.05 2ca7 n ARG 3 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2ca7 s PRO 4 N 0.00 4.42 0.09 5.56 0.02 -1.26 -4.89 135.00 138.94 2ca7 s PRO 4 Ca 0.00 1.98 0.13 0.00 0.02 0.00 0.00 61.00 63.13 2ca7 s PRO 4 Cb 0.00 -3.22 0.57 0.00 0.02 0.00 0.00 34.50 31.87 2ca7 s PRO 4 CO 0.00 -0.20 1.39 0.43 -0.33 0.00 0.00 177.00 178.29 2ca7 n SER 5 N 2.67 0.20 0.00 2.53 7.64 -1.26 -1.82 113.62 123.58 2ca7 n SER 5 Ca 0.06 0.57 0.11 0.00 1.01 0.00 0.00 58.87 60.61 2ca7 n SER 5 Cb 0.44 -0.60 0.51 0.00 -1.01 0.00 0.00 64.21 63.54 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 -1.74 0.00 0.00 -3.43 4.77 -1.26 -2.45 117.00 112.89 2ca7 n LEU 6 Ca 0.01 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.53 2ca7 n LEU 6 Cb 0.11 -0.41 0.33 0.00 -2.33 0.00 0.00 43.42 41.11 2ca7 n LEU 6 CO 0.10 -0.10 0.56 0.00 -1.33 0.00 0.00 177.39 176.62 2ca7 n ASP 8 N -1.51 2.48 -4.75 0.00 2.03 -1.02 -4.60 116.55 109.17 2ca7 n ASP 8 Ca 0.06 -1.79 -0.40 0.00 0.52 0.00 0.00 54.79 53.18 2ca7 n ASP 8 Cb 0.34 0.06 -0.05 0.00 -0.72 0.00 0.00 41.12 40.74 2ca7 n ASP 8 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2ca7 s LEU 9 N -2.08 4.57 0.55 -2.67 2.01 -1.23 -4.98 118.68 114.85 2ca7 s LEU 9 Ca 0.29 1.75 -0.21 0.00 0.01 0.00 0.00 54.13 55.98 2ca7 s LEU 9 Cb 0.20 -3.46 -0.05 0.00 0.01 0.00 0.00 46.19 42.89 2ca7 s LEU 9 CO 0.35 0.10 1.27 -2.84 1.01 0.00 0.00 176.35 176.24 2ca7 s PRO 10 N -0.71 3.14 -0.32 1.29 0.02 -1.26 -4.91 135.00 132.24 2ca7 s PRO 10 Ca 0.41 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 2ca7 s PRO 10 Cb -0.24 -2.14 -0.01 0.00 0.02 0.00 0.00 34.50 32.13 2ca7 s PRO 10 CO 0.29 -1.12 1.55 0.00 -0.33 0.00 0.00 177.00 177.39 2ca7 s ALA 11 N -1.44 3.11 -0.08 -1.55 0.00 -1.26 -4.85 121.76 115.68 2ca7 s ALA 11 Ca 0.73 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.88 2ca7 s ALA 11 Cb -0.35 -3.91 -0.01 0.00 0.00 0.00 0.00 23.12 18.84 2ca7 s ALA 11 CO 0.40 -2.25 -0.19 0.34 0.00 0.00 0.00 175.76 174.07 2ca7 s ASP 12 N 4.42 3.60 0.07 0.00 2.15 -1.26 -4.99 116.67 120.66 2ca7 s ASP 12 Ca 0.68 -0.38 0.21 0.00 0.43 0.00 0.00 52.55 53.49 2ca7 s ASP 12 Cb -0.19 -1.14 -0.16 0.00 -0.30 0.00 0.00 42.92 41.13 2ca7 s ASP 12 CO 0.31 0.24 0.75 -1.20 -0.17 0.00 0.00 175.17 175.09 2ca7 n SER 13 N 3.02 0.51 -0.36 -0.34 7.64 -1.26 -4.62 113.62 118.21 2ca7 n SER 13 Ca -0.18 0.20 0.05 0.00 1.01 0.00 0.00 58.87 59.95 2ca7 n SER 13 Cb 0.52 0.97 -0.02 0.00 -1.01 0.00 0.00 64.21 64.67 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 -2.19 0.74 0.23 0.00 -1.23 -1.92 105.19 102.10 2ca7 n GLY 14 Ca -0.05 -1.39 0.03 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.92 1.93 -3.51 1.61 7.64 -1.19 -4.79 113.62 112.39 2ca7 n SER 15 Ca -0.01 -3.89 -0.26 0.00 1.01 0.00 0.00 58.87 55.72 2ca7 n SER 15 Cb 0.17 -0.54 0.21 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.11 -2.26 0.01 0.23 0.00 -1.13 -4.99 105.19 95.94 2ca7 n GLY 16 Ca 0.22 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.21 0.05 -3.49 2.61 -1.04 -1.26 -4.96 114.28 101.98 2ca7 n THR 17 Ca 0.14 -0.24 -0.19 0.00 -2.04 0.00 0.00 64.05 61.72 2ca7 n THR 17 Cb 0.51 0.43 -0.01 0.00 -1.82 0.00 0.00 70.33 69.44 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 -3.23 3.11 -0.14 -2.82 2.20 -1.23 -5.11 119.74 112.52 2ca7 s LYS 18 Ca 0.01 -1.02 0.02 0.00 -0.36 0.00 0.00 55.97 54.63 2ca7 s LYS 18 Cb 0.15 -2.81 0.01 0.00 -1.51 0.00 0.00 37.83 33.67 2ca7 s LYS 18 CO 0.86 0.07 -0.21 0.00 -0.36 0.00 0.00 175.35 175.72 2ca7 s ALA 19 N -2.18 2.17 -0.05 3.13 0.00 -1.26 -4.42 121.76 119.15 2ca7 s ALA 19 Ca 0.45 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 2ca7 s ALA 19 Cb -0.09 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.06 2ca7 s ALA 19 CO 0.31 -0.08 0.12 -2.00 0.00 0.00 0.00 175.76 174.11 2ca7 s GLU 20 N 0.91 0.10 -0.46 0.00 2.56 -0.49 -5.01 118.70 116.32 2ca7 s GLU 20 Ca -0.05 0.26 -0.21 0.00 0.00 0.00 0.00 54.97 54.97 2ca7 s GLU 20 Cb -0.15 -0.07 0.03 0.00 2.00 0.00 0.00 34.13 35.94 2ca7 s GLU 20 CO -0.03 -0.10 0.69 0.21 -0.56 0.00 0.00 175.26 175.47 2ca7 s LYS 21 N 0.67 3.29 0.33 4.30 2.20 -1.26 -0.89 119.74 128.37 2ca7 s LYS 21 Ca -0.05 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.20 2ca7 s LYS 21 Cb -0.07 -3.97 -0.01 0.00 -1.51 0.00 0.00 37.83 32.27 2ca7 s LYS 21 CO -0.03 -1.09 0.07 0.54 -0.36 0.00 0.00 175.35 174.47 2ca7 n ARG 22 N 6.43 0.83 -4.07 4.03 5.12 -0.84 -4.96 116.66 123.20 2ca7 n ARG 22 Ca -0.01 -2.60 -0.14 0.00 -1.93 0.00 0.00 57.85 53.17 2ca7 n ARG 22 Cb 0.48 1.14 -0.13 0.00 -1.16 0.00 0.00 32.46 32.78 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 -2.55 0.33 0.15 0.55 2.07 0.09 -1.65 121.20 120.19 2ca7 s ILE 23 Ca 0.10 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 2ca7 s ILE 23 Cb 0.00 -0.33 -0.05 0.00 0.13 0.00 0.00 42.46 42.22 2ca7 s ILE 23 CO 0.07 -0.06 -0.05 -0.72 -1.91 0.00 0.00 174.94 172.27 2ca7 s TYR 24 N -0.46 1.19 -0.37 3.50 -0.85 0.76 -1.40 117.35 119.72 2ca7 s TYR 24 Ca -0.02 -0.89 -0.27 0.00 -0.52 0.00 0.00 57.07 55.36 2ca7 s TYR 24 Cb -0.04 -0.65 0.02 0.00 0.38 0.00 0.00 41.96 41.66 2ca7 s TYR 24 CO -0.00 -0.07 1.01 -0.47 -1.52 0.00 0.00 175.55 174.50 2ca7 s TYR 25 N -3.50 3.06 -0.23 -3.49 5.04 -1.26 0.08 117.35 117.05 2ca7 s TYR 25 Ca 0.19 0.91 -0.29 0.00 -2.44 0.00 0.00 57.07 55.44 2ca7 s TYR 25 Cb 0.05 -3.78 0.01 0.00 0.35 0.00 0.00 41.96 38.58 2ca7 s TYR 25 CO 0.01 -0.87 1.07 1.21 -1.34 0.00 0.00 175.55 175.63 2ca7 s ASN 26 N 1.89 7.07 0.10 4.32 3.84 0.24 -4.88 114.94 127.52 2ca7 s ASN 26 Ca 0.42 1.40 -0.13 0.00 0.21 0.00 0.00 52.86 54.76 2ca7 s ASN 26 Cb -0.11 -2.54 -0.12 0.00 -0.55 0.00 0.00 41.25 37.93 2ca7 s ASN 26 CO 0.19 -0.69 1.35 0.28 -2.79 0.00 0.00 177.10 175.44 2ca7 h SER 27 N 7.58 0.90 -0.14 -4.21 0.02 -1.84 -0.54 113.55 115.32 2ca7 h SER 27 Ca -0.20 -0.57 -0.22 0.00 -0.84 0.00 0.00 61.79 59.96 2ca7 h SER 27 Cb 1.07 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.36 2ca7 h SER 27 CO 0.98 1.30 -0.77 0.00 -1.14 0.00 0.00 176.83 177.20 2ca7 h ALA 28 N 0.62 0.33 0.00 3.77 0.00 -1.95 -2.85 119.26 119.18 2ca7 h ALA 28 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2ca7 h ALA 28 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ca7 h ALA 28 CO 0.12 0.69 0.00 0.54 0.00 0.00 0.00 179.25 180.60 2ca7 n ARG 29 N -3.93 0.24 -2.90 0.00 5.12 -1.22 -4.90 116.66 109.06 2ca7 n ARG 29 Ca -0.07 0.25 -0.20 0.00 -1.93 0.00 0.00 57.85 55.89 2ca7 n ARG 29 Cb 0.74 -1.81 0.01 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.24 -3.40 -3.88 5.56 4.81 -0.26 -4.96 118.16 113.79 2ca7 n LYS 30 Ca 0.05 0.72 -0.11 0.00 -0.87 0.00 0.00 58.31 58.10 2ca7 n LYS 30 Cb 0.39 -5.45 -0.13 0.00 0.02 0.00 0.00 35.03 29.86 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 -5.55 0.11 0.10 1.64 -0.21 -0.90 -4.96 119.66 109.89 2ca7 s GLN 31 Ca 0.22 -0.10 -0.30 0.00 0.02 0.00 0.00 55.36 55.20 2ca7 s GLN 31 Cb -0.11 0.05 -0.06 0.00 1.00 0.00 0.00 33.01 33.89 2ca7 s GLN 31 CO 0.27 -0.02 0.96 0.00 -2.12 0.00 0.00 175.29 174.38 2ca7 s LEU 33 N 0.08 2.33 0.18 0.00 1.43 0.11 -4.87 118.68 117.94 2ca7 s LEU 33 Ca 0.47 -0.68 -0.25 0.00 -1.03 0.00 0.00 54.13 52.64 2ca7 s LEU 33 Cb -0.23 0.05 -0.08 0.00 0.03 0.00 0.00 46.19 45.96 2ca7 s LEU 33 CO 0.30 -0.37 0.78 -0.60 0.23 0.00 0.00 176.35 176.69 2ca7 s ARG 34 N -2.33 4.55 0.16 1.70 3.00 -1.26 -0.17 118.95 124.59 2ca7 s ARG 34 Ca -0.06 1.15 -0.01 0.00 -1.00 0.00 0.00 55.73 55.80 2ca7 s ARG 34 Cb -0.04 -3.20 -0.04 0.00 0.00 0.00 0.00 34.95 31.66 2ca7 s ARG 34 CO -0.03 0.54 0.09 -0.59 0.00 0.00 0.00 175.30 175.31 2ca7 s PHE 35 N -1.21 0.98 -0.38 5.12 -0.71 -0.66 -4.92 117.98 116.21 2ca7 s PHE 35 Ca 0.37 -1.29 -0.15 0.00 -1.04 0.00 0.00 56.93 54.82 2ca7 s PHE 35 Cb -0.22 -0.51 0.00 0.00 -1.21 0.00 0.00 43.02 41.08 2ca7 s PHE 35 CO 0.26 -0.57 0.33 -0.51 -1.34 0.00 0.00 175.22 173.38 2ca7 s ASP 36 N -3.09 6.13 -0.16 1.98 1.11 -1.26 -1.99 116.67 119.38 2ca7 s ASP 36 Ca 0.30 -0.59 -0.08 0.00 0.18 0.00 0.00 52.55 52.36 2ca7 s ASP 36 Cb 0.07 -2.18 -0.04 0.00 1.07 0.00 0.00 42.92 41.84 2ca7 s ASP 36 CO 0.06 -0.40 0.12 -0.47 1.18 0.00 0.00 175.17 175.66 2ca7 s TYR 37 N 1.86 3.45 -0.74 4.23 5.04 -0.07 -4.50 117.35 126.62 2ca7 s TYR 37 Ca 0.08 0.37 0.20 0.00 -2.44 0.00 0.00 57.07 55.28 2ca7 s TYR 37 Cb -0.18 -2.05 -0.24 0.00 0.35 0.00 0.00 41.96 39.84 2ca7 s TYR 37 CO 0.11 0.45 0.76 0.25 -1.34 0.00 0.00 175.55 175.78 2ca7 n THR 38 N 2.87 0.00 0.00 4.34 -2.24 -0.81 -1.40 114.28 117.05 2ca7 n THR 38 Ca -0.18 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2ca7 n THR 38 Cb 0.53 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 1.44 0.51 2.77 3.38 0.00 -1.26 -3.57 105.19 108.46 2ca7 n GLY 39 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.82 0.14 0.00 1.61 2.00 -1.26 -4.95 119.66 116.38 2ca7 s GLN 40 Ca 0.00 0.18 0.00 0.00 -2.00 0.00 0.00 55.36 53.54 2ca7 s GLN 40 Cb 0.00 -0.45 0.00 0.00 0.80 0.00 0.00 33.01 33.36 2ca7 s GLN 40 CO 0.00 -0.20 0.00 0.41 -0.50 0.00 0.00 175.29 175.00 2ca7 n GLY 41 N 4.47 0.88 0.00 2.59 0.00 -1.26 -2.83 105.19 109.04 2ca7 n GLY 41 Ca -0.21 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.33 5.19 3.39 -0.02 0.00 -1.26 -3.52 105.19 108.65 2ca7 n GLY 42 Ca 0.00 -1.99 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 2ca7 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ca7 s ASN 43 N 0.23 2.49 0.49 1.61 2.20 -1.26 -4.97 114.94 115.73 2ca7 s ASN 43 Ca 0.00 -1.18 0.29 0.00 -0.94 0.00 0.00 52.86 51.03 2ca7 s ASN 43 Cb 0.00 -0.12 0.91 0.00 -2.00 0.00 0.00 41.25 40.05 2ca7 s ASN 43 CO 0.00 -0.37 1.82 -0.33 -2.94 0.00 0.00 177.10 175.27 2ca7 h GLU 44 N 2.36 0.00 -6.01 3.55 4.39 -1.97 -3.38 114.58 113.53 2ca7 h GLU 44 Ca -0.39 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.69 2ca7 h GLU 44 Cb 1.23 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.79 2ca7 h GLU 44 CO 0.66 0.00 1.70 1.21 -1.16 0.00 0.00 179.01 181.42 2ca7 s ASN 45 N -5.83 6.55 -0.21 1.42 3.84 -1.26 -4.84 114.94 114.61 2ca7 s ASN 45 Ca 0.04 -1.76 -0.04 0.00 0.21 0.00 0.00 52.86 51.32 2ca7 s ASN 45 Cb 0.07 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.27 2ca7 s ASN 45 CO 0.59 -1.45 0.08 0.21 -2.79 0.00 0.00 177.10 173.74 2ca7 s ASN 46 N 4.84 2.93 -0.10 -4.21 2.47 -1.26 -4.84 114.94 114.76 2ca7 s ASN 46 Ca 0.50 -0.91 -0.02 0.00 0.42 0.00 0.00 52.86 52.85 2ca7 s ASN 46 Cb 0.01 -0.45 -0.03 0.00 -1.45 0.00 0.00 41.25 39.33 2ca7 s ASN 46 CO -0.04 -0.36 -0.03 -0.36 -3.72 0.00 0.00 177.10 172.60 2ca7 s PHE 47 N 1.98 3.06 -0.67 0.43 0.08 -0.49 -4.97 117.98 117.40 2ca7 s PHE 47 Ca 0.03 0.01 0.22 0.00 0.12 0.00 0.00 56.93 57.31 2ca7 s PHE 47 Cb -0.17 -1.82 -0.11 0.00 -0.57 0.00 0.00 43.02 40.36 2ca7 s PHE 47 CO -0.15 0.29 0.89 -2.13 -0.10 0.00 0.00 175.22 174.02 2ca7 n ARG 48 N 2.57 0.24 -3.92 0.44 0.63 -1.26 -0.73 116.66 114.62 2ca7 n ARG 48 Ca -0.18 -0.04 -0.12 0.00 -0.92 0.00 0.00 57.85 56.59 2ca7 n ARG 48 Cb 0.53 -1.54 -0.13 0.00 0.45 0.00 0.00 32.46 31.77 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 -3.17 0.11 0.27 -0.14 3.52 -1.26 -4.87 118.95 113.40 2ca7 s ARG 49 Ca 0.03 -0.15 -0.01 0.00 -0.13 0.00 0.00 55.73 55.47 2ca7 s ARG 49 Cb 0.15 -0.02 0.37 0.00 -1.56 0.00 0.00 34.95 33.90 2ca7 s ARG 49 CO 0.84 -0.00 1.79 1.15 -0.81 0.00 0.00 175.30 178.27 2ca7 h THR 50 N 5.03 1.23 -0.15 4.11 2.02 -1.97 -2.47 112.91 120.71 2ca7 h THR 50 Ca -0.26 -0.93 -0.14 0.00 0.77 0.00 0.00 66.41 65.85 2ca7 h THR 50 Cb 1.21 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2ca7 h THR 50 CO 0.49 0.33 -0.51 0.22 0.37 0.00 0.00 175.52 176.42 2ca7 h TYR 51 N 0.74 0.50 -0.33 3.16 3.20 -1.98 -1.91 116.97 120.36 2ca7 h TYR 51 Ca 0.15 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2ca7 h TYR 51 Cb 0.39 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2ca7 h TYR 51 CO 0.02 0.83 0.17 -0.44 -1.64 0.00 0.00 178.16 177.10 2ca7 h ASP 52 N 0.32 0.25 -0.08 -2.11 5.19 -1.88 0.56 116.42 118.67 2ca7 h ASP 52 Ca 0.01 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2ca7 h ASP 52 Cb 1.00 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.48 2ca7 h ASP 52 CO 0.09 0.19 0.05 0.00 -3.12 0.00 0.00 179.24 176.44 2ca7 h GLN 54 N 0.05 -0.01 -0.16 0.00 4.15 -0.95 0.02 115.11 118.21 2ca7 h GLN 54 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2ca7 h GLN 54 Cb 0.06 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2ca7 h GLN 54 CO -0.00 -0.01 0.01 -0.09 -1.93 0.00 0.00 178.83 176.81 2ca7 h ARG 55 N -0.01 0.28 -0.01 1.69 2.43 0.12 0.79 114.38 119.68 2ca7 h ARG 55 Ca 0.09 -0.08 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 2ca7 h ARG 55 Cb 0.14 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2ca7 h ARG 55 CO -0.19 0.48 -0.98 0.00 -1.51 0.00 0.00 179.97 177.77 2ca7 h THR 56 N 0.04 1.34 0.00 0.20 1.03 -1.18 -3.20 112.91 111.14 2ca7 h THR 56 Ca 0.05 -2.33 0.00 0.00 -0.01 0.00 0.00 66.41 64.12 2ca7 h THR 56 Cb 0.35 2.38 0.00 0.00 -1.07 0.00 0.00 68.15 69.81 2ca7 h THR 56 CO 0.01 0.71 -1.31 0.00 -0.01 0.00 0.00 175.52 174.92 2ca7 n LEU 58 N -1.97 0.07 -4.43 0.00 7.94 0.27 -4.62 117.00 114.26 2ca7 n LEU 58 Ca 0.01 0.03 -0.44 0.00 -1.11 0.00 0.00 56.01 54.50 2ca7 n LEU 58 Cb 0.46 0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.58 2ca7 n LEU 58 CO 0.43 0.17 1.43 -1.22 -1.11 0.00 0.00 177.39 177.09 2ca7 n TYR 59 N -2.48 4.86 -0.61 1.96 4.02 -1.21 -5.04 117.16 118.67 2ca7 n TYR 59 Ca -0.14 -3.33 0.00 0.00 -0.01 0.00 0.00 57.90 54.41 2ca7 n TYR 59 Cb 0.79 -2.17 0.00 0.00 -0.02 0.00 0.00 39.34 37.94 2ca7 n TYR 59 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48