#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 0.00 -1.46 4.39 2.03 -1.26 -5.15 116.55 115.10 2ca7 n ASP 2 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ca7 n ASP 2 Cb 0.00 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 2ca7 n ASP 2 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2ca7 n ARG 3 N -2.27 -3.08 -2.01 -0.67 1.74 -1.26 -4.80 116.66 104.32 2ca7 n ARG 3 Ca 0.00 2.30 -0.42 0.00 -0.77 0.00 0.00 57.85 58.96 2ca7 n ARG 3 Cb 0.00 -2.80 -0.03 0.00 -1.02 0.00 0.00 32.46 28.61 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 -3.48 4.26 0.00 5.56 0.02 -1.26 -4.85 135.00 135.25 2ca7 s PRO 4 Ca 0.00 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.31 2ca7 s PRO 4 Cb 0.00 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2ca7 s PRO 4 CO 0.00 -0.49 0.45 0.43 -0.33 0.00 0.00 177.00 177.06 2ca7 n SER 5 N 3.18 0.00 0.12 2.53 7.64 -1.26 -0.32 113.62 125.51 2ca7 n SER 5 Ca 0.10 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.10 2ca7 n SER 5 Cb 0.40 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.62 2ca7 n SER 5 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ca7 h LEU 6 N 0.00 0.00 -2.35 -3.43 3.38 -1.99 -3.36 115.31 107.56 2ca7 h LEU 6 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ca7 h LEU 6 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ca7 h LEU 6 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2ca7 n ASP 8 N 0.86 3.04 -4.75 0.00 2.03 -1.26 -4.90 116.55 111.57 2ca7 n ASP 8 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2ca7 n ASP 8 Cb 0.47 0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 41.36 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 -2.10 4.44 1.16 -2.67 1.43 -1.06 -4.97 118.68 114.91 2ca7 s LEU 9 Ca 0.00 2.45 -0.17 0.00 -1.03 0.00 0.00 54.13 55.39 2ca7 s LEU 9 Cb 0.00 -3.62 0.26 0.00 0.03 0.00 0.00 46.19 42.86 2ca7 s LEU 9 CO 0.00 -0.47 1.08 -2.84 0.23 0.00 0.00 176.35 174.36 2ca7 s PRO 10 N -0.76 -0.85 -0.20 1.29 0.02 -1.26 -4.86 135.00 128.38 2ca7 s PRO 10 Ca 0.53 0.19 -0.29 0.00 0.02 0.00 0.00 61.00 61.45 2ca7 s PRO 10 Cb -0.37 -1.62 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 2ca7 s PRO 10 CO 0.42 -3.51 1.33 0.00 -0.33 0.00 0.00 177.00 174.91 2ca7 s ALA 11 N -2.89 3.54 -0.09 -1.55 0.00 -1.26 -4.84 121.76 114.66 2ca7 s ALA 11 Ca 0.69 0.38 0.04 0.00 0.00 0.00 0.00 51.96 53.07 2ca7 s ALA 11 Cb -0.14 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 2ca7 s ALA 11 CO 0.57 -1.43 -0.21 0.34 0.00 0.00 0.00 175.76 175.03 2ca7 s ASP 12 N 2.49 3.39 0.11 0.00 -1.08 -1.26 -4.98 116.67 115.34 2ca7 s ASP 12 Ca 0.58 -0.46 0.22 0.00 -0.52 0.00 0.00 52.55 52.37 2ca7 s ASP 12 Cb -0.21 -1.23 -0.14 0.00 -1.46 0.00 0.00 42.92 39.88 2ca7 s ASP 12 CO 0.19 0.20 0.81 -0.24 0.52 0.00 0.00 175.17 176.66 2ca7 n SER 13 N 3.23 0.51 -0.69 -0.34 2.88 -1.26 -4.62 113.62 113.34 2ca7 n SER 13 Ca -0.18 0.20 0.09 0.00 -1.33 0.00 0.00 58.87 57.65 2ca7 n SER 13 Cb 0.53 1.05 -0.03 0.00 -0.75 0.00 0.00 64.21 65.00 2ca7 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ca7 n GLY 14 N 1.22 -2.13 1.49 0.46 0.00 -1.26 -0.12 105.19 104.86 2ca7 n GLY 14 Ca -0.02 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.19 3.62 -3.10 1.61 7.64 -1.21 -4.76 113.62 114.24 2ca7 n SER 15 Ca -0.01 -3.79 -0.17 0.00 1.01 0.00 0.00 58.87 55.90 2ca7 n SER 15 Cb 0.32 -0.61 0.14 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.01 -2.75 0.01 0.23 0.00 -1.00 -4.95 105.19 95.71 2ca7 n GLY 16 Ca 0.39 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 45.05 2ca7 n GLY 16 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ca7 n THR 17 N -3.92 0.00 -4.09 2.61 5.66 -1.26 -4.92 114.28 108.36 2ca7 n THR 17 Ca 0.09 -0.06 -0.23 0.00 -3.05 0.00 0.00 64.05 60.80 2ca7 n THR 17 Cb 0.33 1.00 -0.06 0.00 -1.55 0.00 0.00 70.33 70.06 2ca7 n THR 17 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2ca7 s LYS 18 N -2.77 2.46 -0.17 1.09 2.36 -1.24 -5.11 119.74 116.36 2ca7 s LYS 18 Ca 0.07 -1.45 -0.01 0.00 -2.55 0.00 0.00 55.97 52.04 2ca7 s LYS 18 Cb 0.14 -2.25 -0.00 0.00 -1.05 0.00 0.00 37.83 34.67 2ca7 s LYS 18 CO 0.77 0.18 -0.12 0.00 1.55 0.00 0.00 175.35 177.72 2ca7 s ALA 19 N -2.37 2.58 -0.03 3.13 0.00 -1.26 -4.41 121.76 119.41 2ca7 s ALA 19 Ca 0.37 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 2ca7 s ALA 19 Cb -0.04 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.75 2ca7 s ALA 19 CO 0.23 -0.16 0.07 -2.00 0.00 0.00 0.00 175.76 173.89 2ca7 s GLU 20 N 1.02 0.02 -0.44 0.00 2.56 -0.80 -5.03 118.70 116.04 2ca7 s GLU 20 Ca -0.01 0.20 -0.23 0.00 0.00 0.00 0.00 54.97 54.93 2ca7 s GLU 20 Cb -0.15 -0.15 0.02 0.00 2.00 0.00 0.00 34.13 35.86 2ca7 s GLU 20 CO -0.02 -0.12 0.79 0.21 -0.56 0.00 0.00 175.26 175.55 2ca7 s LYS 21 N 0.78 3.45 0.24 4.30 2.20 -1.26 -0.93 119.74 128.52 2ca7 s LYS 21 Ca -0.06 -0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 2ca7 s LYS 21 Cb -0.09 -3.92 -0.01 0.00 -1.51 0.00 0.00 37.83 32.30 2ca7 s LYS 21 CO -0.03 -1.09 0.07 0.54 -0.36 0.00 0.00 175.35 174.48 2ca7 n ARG 22 N 6.69 0.85 -3.96 4.03 5.12 -0.04 -4.94 116.66 124.41 2ca7 n ARG 22 Ca 0.02 -1.95 -0.13 0.00 -1.93 0.00 0.00 57.85 53.86 2ca7 n ARG 22 Cb 0.48 0.96 -0.14 0.00 -1.16 0.00 0.00 32.46 32.60 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 -2.33 0.13 0.19 0.55 -1.16 0.02 -0.26 121.20 118.35 2ca7 s ILE 23 Ca 0.09 -0.08 0.05 0.00 -0.51 0.00 0.00 60.65 60.20 2ca7 s ILE 23 Cb 0.00 -0.12 -0.05 0.00 0.61 0.00 0.00 42.46 42.91 2ca7 s ILE 23 CO 0.07 0.03 -0.07 -0.72 -2.81 0.00 0.00 174.94 171.44 2ca7 s TYR 24 N -0.06 1.47 -0.55 3.50 1.13 0.10 -0.73 117.35 122.22 2ca7 s TYR 24 Ca 0.00 -0.79 -0.25 0.00 -1.41 0.00 0.00 57.07 54.62 2ca7 s TYR 24 Cb -0.01 -0.79 0.04 0.00 -1.10 0.00 0.00 41.96 40.10 2ca7 s TYR 24 CO -0.00 0.08 0.99 -0.47 -2.51 0.00 0.00 175.55 173.64 2ca7 s TYR 25 N -3.30 2.76 -0.33 -3.49 5.04 -1.26 -0.59 117.35 116.18 2ca7 s TYR 25 Ca 0.23 0.08 -0.28 0.00 -2.44 0.00 0.00 57.07 54.66 2ca7 s TYR 25 Cb 0.03 -4.16 -0.02 0.00 0.35 0.00 0.00 41.96 38.16 2ca7 s TYR 25 CO 0.05 -1.39 1.85 1.21 -1.34 0.00 0.00 175.55 175.93 2ca7 s ASN 26 N 2.85 5.80 0.17 4.32 3.84 -0.31 -4.85 114.94 126.77 2ca7 s ASN 26 Ca 0.33 1.32 -0.06 0.00 0.21 0.00 0.00 52.86 54.66 2ca7 s ASN 26 Cb -0.11 -2.52 0.06 0.00 -0.55 0.00 0.00 41.25 38.12 2ca7 s ASN 26 CO 0.21 -1.78 1.50 0.28 -2.79 0.00 0.00 177.10 174.52 2ca7 h SER 27 N 13.28 0.78 -0.03 -4.21 0.02 -1.90 -0.42 113.55 121.06 2ca7 h SER 27 Ca -0.34 -0.38 -0.25 0.00 -0.84 0.00 0.00 61.79 59.98 2ca7 h SER 27 Cb 1.18 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 63.51 2ca7 h SER 27 CO 1.03 1.12 -0.96 0.00 -1.14 0.00 0.00 176.83 176.89 2ca7 h ALA 28 N 0.90 0.20 0.00 3.77 0.00 -1.95 -2.98 119.26 119.20 2ca7 h ALA 28 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2ca7 h ALA 28 Cb 1.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2ca7 h ALA 28 CO 0.10 0.69 0.00 0.00 0.00 0.00 0.00 179.25 180.04 2ca7 h ARG 29 N 0.44 0.00 -5.18 0.00 2.47 -1.95 -3.46 114.38 106.70 2ca7 h ARG 29 Ca -0.10 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.22 2ca7 h ARG 29 Cb 1.60 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.90 2ca7 h ARG 29 CO 0.19 0.00 -0.59 1.17 0.56 0.00 0.00 179.97 181.30 2ca7 n LYS 30 N -2.41 -4.20 -4.02 0.04 4.81 -0.20 -4.98 118.16 107.18 2ca7 n LYS 30 Ca 0.04 0.65 -0.14 0.00 -0.87 0.00 0.00 58.31 57.99 2ca7 n LYS 30 Cb 0.38 -5.43 -0.14 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 -5.96 0.25 0.01 1.64 -0.21 -0.98 -4.99 119.66 109.42 2ca7 s GLN 31 Ca 0.39 -0.17 -0.26 0.00 0.02 0.00 0.00 55.36 55.34 2ca7 s GLN 31 Cb -0.19 -0.20 -0.05 0.00 1.00 0.00 0.00 33.01 33.57 2ca7 s GLN 31 CO 0.48 0.05 0.80 0.00 -2.12 0.00 0.00 175.29 174.50 2ca7 s LEU 33 N 0.38 2.19 0.31 0.00 1.43 0.24 -4.90 118.68 118.33 2ca7 s LEU 33 Ca 0.41 -0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 52.80 2ca7 s LEU 33 Cb -0.20 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.64 2ca7 s LEU 33 CO 0.23 -0.10 0.98 -0.60 0.23 0.00 0.00 176.35 177.09 2ca7 s ARG 34 N -1.21 4.59 0.15 1.70 3.00 -1.26 0.03 118.95 125.94 2ca7 s ARG 34 Ca -0.05 1.46 -0.05 0.00 -1.00 0.00 0.00 55.73 56.09 2ca7 s ARG 34 Cb -0.08 -2.93 -0.02 0.00 0.00 0.00 0.00 34.95 31.92 2ca7 s ARG 34 CO 0.01 0.26 0.17 -0.59 0.00 0.00 0.00 175.30 175.15 2ca7 s PHE 35 N -1.46 0.63 -0.25 5.12 -0.71 0.64 -4.89 117.98 117.07 2ca7 s PHE 35 Ca 0.48 -1.00 -0.17 0.00 -1.04 0.00 0.00 56.93 55.20 2ca7 s PHE 35 Cb -0.23 -0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.28 2ca7 s PHE 35 CO 0.29 -0.62 0.47 -0.51 -1.34 0.00 0.00 175.22 173.51 2ca7 s ASP 36 N -3.01 6.41 -0.09 1.98 1.01 -1.26 -0.86 116.67 120.85 2ca7 s ASP 36 Ca 0.21 0.49 -0.01 0.00 0.71 0.00 0.00 52.55 53.94 2ca7 s ASP 36 Cb 0.05 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 2ca7 s ASP 36 CO 0.01 -0.23 -0.03 -0.47 0.21 0.00 0.00 175.17 174.67 2ca7 s TYR 37 N 2.06 3.06 -0.23 4.23 5.04 -0.11 -4.00 117.35 127.41 2ca7 s TYR 37 Ca 0.20 0.05 0.10 0.00 -2.44 0.00 0.00 57.07 54.98 2ca7 s TYR 37 Cb -0.16 -1.80 -0.21 0.00 0.35 0.00 0.00 41.96 40.15 2ca7 s TYR 37 CO 0.09 0.33 -0.07 0.25 -1.34 0.00 0.00 175.55 174.81 2ca7 n THR 38 N 2.44 1.42 0.00 4.34 -2.24 0.83 -1.90 114.28 119.17 2ca7 n THR 38 Ca -0.18 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 2ca7 n THR 38 Cb 0.53 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 2.01 1.40 2.74 3.38 0.00 -1.26 -3.65 105.19 109.81 2ca7 n GLY 39 Ca -0.39 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.08 -0.03 0.00 1.61 -0.44 -1.26 -4.96 119.66 114.50 2ca7 s GLN 40 Ca 0.00 0.39 0.00 0.00 -2.50 0.00 0.00 55.36 53.25 2ca7 s GLN 40 Cb 0.00 -0.39 0.00 0.00 -1.64 0.00 0.00 33.01 30.98 2ca7 s GLN 40 CO 0.00 -0.29 0.00 0.41 0.50 0.00 0.00 175.29 175.91 2ca7 n GLY 41 N 5.04 0.88 0.00 2.59 0.00 -1.26 -2.38 105.19 110.05 2ca7 n GLY 41 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.40 4.02 3.28 -0.02 0.00 -1.26 -3.83 105.19 106.97 2ca7 n GLY 42 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 2ca7 n GLY 42 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ca7 s ASN 43 N -0.01 2.13 0.45 1.61 2.47 -1.26 -4.93 114.94 115.41 2ca7 s ASN 43 Ca 0.00 -0.94 0.25 0.00 0.42 0.00 0.00 52.86 52.59 2ca7 s ASN 43 Cb 0.00 -0.07 0.80 0.00 -1.45 0.00 0.00 41.25 40.52 2ca7 s ASN 43 CO 0.00 -0.21 1.77 -0.33 -3.72 0.00 0.00 177.10 174.61 2ca7 h GLU 44 N 2.98 0.00 -6.09 0.43 4.39 -1.96 -3.39 114.58 110.95 2ca7 h GLU 44 Ca -0.38 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.78 2ca7 h GLU 44 Cb 1.20 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.77 2ca7 h GLU 44 CO 0.58 0.14 1.31 1.21 -1.16 0.00 0.00 179.01 181.09 2ca7 s ASN 45 N -6.08 6.20 -0.33 1.42 2.47 -1.26 -4.82 114.94 112.53 2ca7 s ASN 45 Ca 0.03 -1.11 -0.01 0.00 0.42 0.00 0.00 52.86 52.19 2ca7 s ASN 45 Cb 0.08 -2.57 0.13 0.00 -1.45 0.00 0.00 41.25 37.45 2ca7 s ASN 45 CO 0.63 -1.78 0.21 0.21 -3.72 0.00 0.00 177.10 172.65 2ca7 s ASN 46 N 5.35 2.85 0.04 -4.21 3.84 -1.26 -4.73 114.94 116.82 2ca7 s ASN 46 Ca 0.49 -1.74 -0.14 0.00 0.21 0.00 0.00 52.86 51.68 2ca7 s ASN 46 Cb -0.03 -0.21 -0.06 0.00 -0.55 0.00 0.00 41.25 40.40 2ca7 s ASN 46 CO -0.04 -0.35 0.43 -0.36 -2.79 0.00 0.00 177.10 173.99 2ca7 s PHE 47 N 1.52 3.68 -0.88 0.43 0.08 0.09 -4.95 117.98 117.95 2ca7 s PHE 47 Ca 0.15 0.96 0.22 0.00 0.12 0.00 0.00 56.93 58.37 2ca7 s PHE 47 Cb -0.19 -2.27 -0.10 0.00 -0.57 0.00 0.00 43.02 39.88 2ca7 s PHE 47 CO -0.13 0.58 0.95 -2.13 -0.10 0.00 0.00 175.22 174.40 2ca7 n ARG 48 N 1.45 0.08 -3.85 0.44 0.63 -1.26 -0.80 116.66 113.36 2ca7 n ARG 48 Ca -0.11 -0.02 -0.12 0.00 -0.92 0.00 0.00 57.85 56.68 2ca7 n ARG 48 Cb 0.52 -1.51 -0.12 0.00 0.45 0.00 0.00 32.46 31.80 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 -3.06 0.21 0.30 -0.14 6.06 -1.26 -4.85 118.95 116.20 2ca7 s ARG 49 Ca 0.07 0.02 0.08 0.00 -2.50 0.00 0.00 55.73 53.40 2ca7 s ARG 49 Cb 0.16 0.09 0.46 0.00 0.06 0.00 0.00 34.95 35.72 2ca7 s ARG 49 CO 0.84 -0.04 1.69 0.00 -2.50 0.00 0.00 175.30 175.29 2ca7 h THR 50 N 4.82 1.34 -0.09 4.11 1.03 -1.94 -2.49 112.91 119.69 2ca7 h THR 50 Ca -0.26 -1.66 -0.07 0.00 -0.01 0.00 0.00 66.41 64.41 2ca7 h THR 50 Cb 1.20 1.82 -0.01 0.00 -1.07 0.00 0.00 68.15 70.09 2ca7 h THR 50 CO 0.43 0.49 -0.25 0.22 -0.01 0.00 0.00 175.52 176.39 2ca7 h TYR 51 N 0.12 0.17 -0.71 0.00 3.20 -1.97 0.24 116.97 118.01 2ca7 h TYR 51 Ca 0.01 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.87 2ca7 h TYR 51 Cb 0.88 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 2ca7 h TYR 51 CO 0.01 0.41 0.46 -0.44 -1.64 0.00 0.00 178.16 176.96 2ca7 h ASP 52 N 0.15 0.78 0.44 -2.11 5.19 -1.88 0.48 116.42 119.46 2ca7 h ASP 52 Ca 0.02 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 2ca7 h ASP 52 Cb 0.54 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2ca7 h ASP 52 CO 0.04 0.55 -0.21 0.00 -3.12 0.00 0.00 179.24 176.49 2ca7 h GLN 54 N -0.78 0.20 0.12 0.00 4.15 -0.24 -1.80 115.11 116.75 2ca7 h GLN 54 Ca -0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2ca7 h GLN 54 Cb 0.54 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.19 2ca7 h GLN 54 CO 0.10 0.13 -0.06 -0.09 -1.93 0.00 0.00 178.83 176.98 2ca7 h ARG 55 N 0.20 -0.16 -0.05 1.69 2.43 -0.15 0.36 114.38 118.70 2ca7 h ARG 55 Ca 0.23 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 2ca7 h ARG 55 Cb 0.31 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2ca7 h ARG 55 CO -0.32 0.32 -0.30 0.00 -1.51 0.00 0.00 179.97 178.17 2ca7 h THR 56 N -0.78 1.24 0.00 0.20 1.03 -1.45 -1.57 112.91 111.58 2ca7 h THR 56 Ca -0.02 -1.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.26 2ca7 h THR 56 Cb 0.55 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.16 2ca7 h THR 56 CO 0.03 0.33 -1.76 0.00 -0.01 0.00 0.00 175.52 174.11 2ca7 n LEU 58 N -2.23 0.00 -4.28 0.00 -0.00 0.11 -4.66 117.00 105.94 2ca7 n LEU 58 Ca -0.03 0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.55 2ca7 n LEU 58 Cb 0.54 0.32 0.00 0.00 -0.00 0.00 0.00 43.42 44.28 2ca7 n LEU 58 CO 0.45 0.32 1.34 -1.22 -0.00 0.00 0.00 177.39 178.27 2ca7 n TYR 59 N -2.53 4.43 -0.91 1.96 4.01 -0.62 -5.07 117.16 118.43 2ca7 n TYR 59 Ca -0.22 -3.32 0.00 0.00 -0.16 0.00 0.00 57.90 54.20 2ca7 n TYR 59 Cb 0.92 -1.95 0.00 0.00 -0.31 0.00 0.00 39.34 38.01 2ca7 n TYR 59 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03