#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 -0.36 -0.03 -5.58 -4.77 -1.26 -5.09 116.67 99.59 2ca7 s ASP 2 Ca 0.00 0.68 -0.00 0.00 -3.30 0.00 0.00 52.55 49.92 2ca7 s ASP 2 Cb 0.00 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.49 2ca7 s ASP 2 CO 0.00 -0.13 0.01 -1.14 0.70 0.00 0.00 175.17 174.61 2ca7 n ARG 3 N 3.20 -0.93 -1.91 2.11 3.00 -1.26 -4.81 116.66 116.05 2ca7 n ARG 3 Ca -0.15 1.14 -0.42 0.00 -0.00 0.00 0.00 57.85 58.41 2ca7 n ARG 3 Cb 0.57 -1.43 -0.03 0.00 0.00 0.00 0.00 32.46 31.57 2ca7 n ARG 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2ca7 s PRO 4 N -0.79 4.13 0.00 -0.14 0.04 -1.26 -4.83 135.00 132.15 2ca7 s PRO 4 Ca -0.01 2.27 0.22 0.00 0.04 0.00 0.00 61.00 63.53 2ca7 s PRO 4 Cb 0.00 -4.04 0.51 0.00 0.04 0.00 0.00 34.50 31.01 2ca7 s PRO 4 CO 0.09 -0.93 1.44 0.43 0.04 0.00 0.00 177.00 178.07 2ca7 n SER 5 N 7.41 2.92 0.07 6.66 7.64 -1.26 -2.24 113.62 134.82 2ca7 n SER 5 Ca 0.18 -1.92 0.13 0.00 1.01 0.00 0.00 58.87 58.27 2ca7 n SER 5 Cb 0.42 -0.20 0.47 0.00 -1.01 0.00 0.00 64.21 63.89 2ca7 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ca7 n LEU 6 N 1.15 0.53 -1.74 -3.43 -0.00 -1.26 -3.46 117.00 108.79 2ca7 n LEU 6 Ca 0.18 0.57 -0.11 0.00 -0.00 0.00 0.00 56.01 56.65 2ca7 n LEU 6 Cb 0.52 -0.42 0.03 0.00 -0.00 0.00 0.00 43.42 43.55 2ca7 n LEU 6 CO 0.15 -0.20 1.12 0.00 -0.00 0.00 0.00 177.39 178.46 2ca7 n ASP 8 N 0.70 0.87 -4.73 0.00 2.03 -1.22 -4.99 116.55 109.20 2ca7 n ASP 8 Ca 0.20 -1.01 -0.38 0.00 0.52 0.00 0.00 54.79 54.12 2ca7 n ASP 8 Cb 0.57 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.01 4.31 1.39 -2.67 2.01 -1.25 -5.07 118.68 117.40 2ca7 s LEU 9 Ca 0.00 0.90 -0.23 0.00 0.01 0.00 0.00 54.13 54.81 2ca7 s LEU 9 Cb 0.00 -2.76 0.36 0.00 0.01 0.00 0.00 46.19 43.80 2ca7 s LEU 9 CO 0.00 0.02 0.98 -2.84 1.01 0.00 0.00 176.35 175.51 2ca7 s PRO 10 N 0.46 -2.71 -0.18 1.29 0.02 -1.26 -4.92 135.00 127.70 2ca7 s PRO 10 Ca 0.28 -0.02 -0.29 0.00 0.02 0.00 0.00 61.00 60.99 2ca7 s PRO 10 Cb -0.16 -1.42 -0.02 0.00 0.02 0.00 0.00 34.50 32.93 2ca7 s PRO 10 CO 0.12 -4.70 1.33 0.00 -0.33 0.00 0.00 177.00 173.42 2ca7 s ALA 11 N -2.48 3.58 -0.07 -1.55 0.00 -1.26 -4.97 121.76 115.01 2ca7 s ALA 11 Ca 0.70 0.44 0.05 0.00 0.00 0.00 0.00 51.96 53.15 2ca7 s ALA 11 Cb -0.10 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 2ca7 s ALA 11 CO 0.57 -1.35 -0.23 0.34 0.00 0.00 0.00 175.76 175.09 2ca7 s ASP 12 N 2.38 3.21 -0.03 0.00 -1.08 -1.26 -4.98 116.67 114.92 2ca7 s ASP 12 Ca 0.58 -0.48 0.21 0.00 -0.52 0.00 0.00 52.55 52.34 2ca7 s ASP 12 Cb -0.22 -0.98 -0.33 0.00 -1.46 0.00 0.00 42.92 39.94 2ca7 s ASP 12 CO 0.18 0.23 0.49 -1.20 0.52 0.00 0.00 175.17 175.39 2ca7 n SER 13 N 3.02 0.18 -0.58 -0.34 7.64 -1.24 -4.40 113.62 117.90 2ca7 n SER 13 Ca -0.18 -0.05 0.08 0.00 1.01 0.00 0.00 58.87 59.74 2ca7 n SER 13 Cb 0.52 1.93 -0.02 0.00 -1.01 0.00 0.00 64.21 65.63 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 1.30 -1.67 1.26 0.23 0.00 -1.20 -2.22 105.19 102.89 2ca7 n GLY 14 Ca -0.04 -1.37 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 2ca7 n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ca7 n SER 15 N -2.51 3.07 -3.29 1.61 2.88 -1.21 -4.94 113.62 109.24 2ca7 n SER 15 Ca -0.00 -3.82 -0.21 0.00 -1.33 0.00 0.00 58.87 53.50 2ca7 n SER 15 Cb 0.27 -0.56 0.17 0.00 -0.75 0.00 0.00 64.21 63.34 2ca7 n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ca7 n GLY 16 N -1.02 -2.33 0.09 0.46 0.00 -1.25 -5.00 105.19 96.14 2ca7 n GLY 16 Ca 0.33 -1.54 0.09 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.96 0.63 -3.56 2.61 -1.04 -1.26 -4.97 114.28 102.73 2ca7 n THR 17 Ca 0.11 -0.58 -0.22 0.00 -2.04 0.00 0.00 64.05 61.33 2ca7 n THR 17 Cb 0.42 -0.35 -0.01 0.00 -1.82 0.00 0.00 70.33 68.57 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 -3.29 3.34 -0.13 -2.82 2.47 -1.26 -5.10 119.74 112.95 2ca7 s LYS 18 Ca -0.03 -0.64 0.02 0.00 -1.56 0.00 0.00 55.97 53.77 2ca7 s LYS 18 Cb 0.10 -2.76 0.01 0.00 -1.46 0.00 0.00 37.83 33.72 2ca7 s LYS 18 CO 0.82 0.18 -0.21 0.00 0.16 0.00 0.00 175.35 176.29 2ca7 s ALA 19 N -2.20 2.18 -0.06 3.13 0.00 -1.26 -4.66 121.76 118.88 2ca7 s ALA 19 Ca 0.40 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2ca7 s ALA 19 Cb -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.08 2ca7 s ALA 19 CO 0.33 -0.02 0.19 -2.00 0.00 0.00 0.00 175.76 174.26 2ca7 s GLU 20 N 0.81 0.25 -0.48 0.00 2.56 -1.20 -5.03 118.70 115.61 2ca7 s GLU 20 Ca -0.08 0.20 -0.22 0.00 0.00 0.00 0.00 54.97 54.87 2ca7 s GLU 20 Cb -0.16 0.12 0.03 0.00 2.00 0.00 0.00 34.13 36.13 2ca7 s GLU 20 CO -0.01 -0.04 0.74 0.21 -0.56 0.00 0.00 175.26 175.60 2ca7 s LYS 21 N -0.05 3.29 0.24 4.30 2.20 -1.26 -1.13 119.74 127.33 2ca7 s LYS 21 Ca -0.01 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2ca7 s LYS 21 Cb -0.02 -4.00 -0.00 0.00 -1.51 0.00 0.00 37.83 32.30 2ca7 s LYS 21 CO 0.00 -1.18 0.03 0.54 -0.36 0.00 0.00 175.35 174.39 2ca7 n ARG 22 N 6.61 1.13 -4.00 4.03 5.12 0.11 -4.94 116.66 124.73 2ca7 n ARG 22 Ca -0.01 -1.86 -0.13 0.00 -1.93 0.00 0.00 57.85 53.91 2ca7 n ARG 22 Cb 0.47 0.69 -0.14 0.00 -1.16 0.00 0.00 32.46 32.32 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 -2.09 0.19 0.03 0.55 2.07 0.15 -0.49 121.20 121.61 2ca7 s ILE 23 Ca 0.04 -0.16 0.06 0.00 -1.41 0.00 0.00 60.65 59.17 2ca7 s ILE 23 Cb 0.00 -0.18 -0.02 0.00 0.13 0.00 0.00 42.46 42.39 2ca7 s ILE 23 CO 0.03 0.02 -0.17 -0.72 -1.91 0.00 0.00 174.94 172.18 2ca7 s TYR 24 N -0.15 1.51 -0.66 3.50 1.13 0.21 -2.27 117.35 120.61 2ca7 s TYR 24 Ca -0.00 -0.34 -0.26 0.00 -1.41 0.00 0.00 57.07 55.05 2ca7 s TYR 24 Cb -0.02 -0.92 -0.01 0.00 -1.10 0.00 0.00 41.96 39.92 2ca7 s TYR 24 CO -0.00 0.04 1.75 -0.47 -2.51 0.00 0.00 175.55 174.36 2ca7 s TYR 25 N -0.71 1.79 -0.05 -3.49 5.04 -1.26 0.28 117.35 118.96 2ca7 s TYR 25 Ca 0.05 0.60 -0.30 0.00 -2.44 0.00 0.00 57.07 54.98 2ca7 s TYR 25 Cb -0.08 -4.20 -0.05 0.00 0.35 0.00 0.00 41.96 37.98 2ca7 s TYR 25 CO 0.01 -2.23 1.51 1.21 -1.34 0.00 0.00 175.55 174.71 2ca7 s ASN 26 N 7.24 6.76 0.05 4.32 3.84 -0.63 -4.89 114.94 131.63 2ca7 s ASN 26 Ca 0.61 2.13 -0.16 0.00 0.21 0.00 0.00 52.86 55.65 2ca7 s ASN 26 Cb -0.11 -2.54 -0.26 0.00 -0.55 0.00 0.00 41.25 37.78 2ca7 s ASN 26 CO 0.18 -0.83 1.12 0.28 -2.79 0.00 0.00 177.10 175.06 2ca7 h SER 27 N 8.69 0.81 -0.26 -4.21 0.02 -1.92 -1.27 113.55 115.41 2ca7 h SER 27 Ca -0.37 -0.79 -0.13 0.00 -0.84 0.00 0.00 61.79 59.67 2ca7 h SER 27 Cb 1.17 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 2ca7 h SER 27 CO 0.94 1.51 -0.33 0.00 -1.14 0.00 0.00 176.83 177.80 2ca7 h ALA 28 N 0.32 0.39 0.00 3.77 0.00 -1.94 -2.49 119.26 119.32 2ca7 h ALA 28 Ca -0.15 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2ca7 h ALA 28 Cb 1.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2ca7 h ALA 28 CO 0.20 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.44 2ca7 n ARG 29 N -4.24 0.16 -2.88 0.00 5.12 -1.25 -4.88 116.66 108.68 2ca7 n ARG 29 Ca -0.04 0.18 -0.18 0.00 -1.93 0.00 0.00 57.85 55.87 2ca7 n ARG 29 Cb 0.50 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 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 -1.98 -3.09 -3.82 5.56 4.81 -0.58 -4.95 118.16 114.12 2ca7 n LYS 30 Ca 0.05 0.62 -0.15 0.00 -0.87 0.00 0.00 58.31 57.97 2ca7 n LYS 30 Cb 0.36 -5.31 -0.16 0.00 0.02 0.00 0.00 35.03 29.95 2ca7 n LYS 30 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2ca7 s GLN 31 N -5.51 0.02 0.16 1.64 0.74 -0.62 -4.96 119.66 111.13 2ca7 s GLN 31 Ca 0.20 0.13 -0.30 0.00 0.05 0.00 0.00 55.36 55.44 2ca7 s GLN 31 Cb -0.10 -0.23 -0.07 0.00 1.10 0.00 0.00 33.01 33.71 2ca7 s GLN 31 CO 0.25 -0.12 1.04 0.00 -0.55 0.00 0.00 175.29 175.91 2ca7 s LEU 33 N -0.31 2.23 0.32 0.00 1.43 0.14 -4.82 118.68 117.68 2ca7 s LEU 33 Ca 0.48 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 2ca7 s LEU 33 Cb -0.27 -0.23 -0.09 0.00 0.03 0.00 0.00 46.19 45.63 2ca7 s LEU 33 CO 0.33 -0.16 1.03 -0.60 0.23 0.00 0.00 176.35 177.18 2ca7 s ARG 34 N -1.45 4.52 0.22 1.70 3.00 -1.26 0.64 118.95 126.32 2ca7 s ARG 34 Ca -0.08 1.57 -0.06 0.00 -1.00 0.00 0.00 55.73 56.16 2ca7 s ARG 34 Cb -0.09 -2.94 -0.02 0.00 0.00 0.00 0.00 34.95 31.90 2ca7 s ARG 34 CO 0.01 0.17 0.29 -0.59 0.00 0.00 0.00 175.30 175.17 2ca7 s PHE 35 N -1.40 0.81 -0.22 5.12 -0.71 0.36 -4.85 117.98 117.09 2ca7 s PHE 35 Ca 0.49 -1.10 -0.12 0.00 -1.04 0.00 0.00 56.93 55.16 2ca7 s PHE 35 Cb -0.25 -0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 41.28 2ca7 s PHE 35 CO 0.32 -0.80 0.24 -0.51 -1.34 0.00 0.00 175.22 173.13 2ca7 s ASP 36 N -3.10 6.23 -0.03 1.98 1.01 -1.26 0.08 116.67 121.58 2ca7 s ASP 36 Ca 0.32 0.26 0.05 0.00 0.71 0.00 0.00 52.55 53.89 2ca7 s ASP 36 Cb 0.04 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 2ca7 s ASP 36 CO 0.11 0.03 -0.19 -0.47 0.21 0.00 0.00 175.17 174.86 2ca7 s TYR 37 N 1.08 2.56 -0.08 4.23 5.04 -0.29 -3.58 117.35 126.32 2ca7 s TYR 37 Ca 0.11 -0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.50 2ca7 s TYR 37 Cb -0.14 -1.57 -0.06 0.00 0.35 0.00 0.00 41.96 40.54 2ca7 s TYR 37 CO 0.05 0.12 -0.04 -2.37 -1.34 0.00 0.00 175.55 171.97 2ca7 n THR 38 N 2.28 0.46 0.00 4.34 5.66 -0.94 -3.22 114.28 122.86 2ca7 n THR 38 Ca -0.17 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2ca7 n THR 38 Cb 0.52 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 2ca7 n THR 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ca7 n GLY 39 N 2.96 1.69 2.77 1.09 0.00 -1.26 -4.81 105.19 107.63 2ca7 n GLY 39 Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.06 0.05 0.00 1.61 0.74 -1.26 -4.89 119.66 115.85 2ca7 s GLN 40 Ca 0.00 0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.80 2ca7 s GLN 40 Cb 0.00 -0.68 0.00 0.00 1.10 0.00 0.00 33.01 33.43 2ca7 s GLN 40 CO 0.00 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 174.73 2ca7 n GLY 41 N 5.32 1.00 3.62 2.59 0.00 -1.26 -3.29 105.19 113.17 2ca7 n GLY 41 Ca -0.05 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.26 2.27 3.21 -0.02 0.00 -1.26 -3.23 105.19 105.91 2ca7 n GLY 42 Ca 0.00 -2.25 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 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 -4.23 0.07 0.12 1.61 0.01 -1.26 -5.05 114.94 106.20 2ca7 s ASN 43 Ca 0.46 -0.58 0.14 0.00 -0.71 0.00 0.00 52.86 52.17 2ca7 s ASN 43 Cb -0.04 0.35 0.63 0.00 0.41 0.00 0.00 41.25 42.60 2ca7 s ASN 43 CO 0.29 -0.72 1.43 -0.62 -1.51 0.00 0.00 177.10 175.96 2ca7 n GLU 44 N 0.00 0.07 -2.86 -0.60 4.71 -1.26 -4.26 120.64 116.44 2ca7 n GLU 44 Ca -0.16 0.43 -0.43 0.00 -0.01 0.00 0.00 57.16 56.99 2ca7 n GLU 44 Cb 0.62 -1.67 -0.03 0.00 -1.01 0.00 0.00 31.44 29.36 2ca7 n GLU 44 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2ca7 s ASN 45 N -3.47 6.58 -0.39 1.62 3.84 -1.26 -4.88 114.94 116.97 2ca7 s ASN 45 Ca 0.03 -1.88 0.01 0.00 0.21 0.00 0.00 52.86 51.23 2ca7 s ASN 45 Cb 0.06 -2.43 0.13 0.00 -0.55 0.00 0.00 41.25 38.47 2ca7 s ASN 45 CO 0.20 -1.16 0.21 0.21 -2.79 0.00 0.00 177.10 173.78 2ca7 s ASN 46 N 3.85 3.40 -0.13 -4.21 3.84 -1.26 -4.92 114.94 115.51 2ca7 s ASN 46 Ca 0.34 -2.34 -0.19 0.00 0.21 0.00 0.00 52.86 50.88 2ca7 s ASN 46 Cb -0.05 -0.75 -0.04 0.00 -0.55 0.00 0.00 41.25 39.87 2ca7 s ASN 46 CO -0.08 -0.30 0.52 -0.36 -2.79 0.00 0.00 177.10 174.08 2ca7 s PHE 47 N 0.78 3.48 -0.80 0.43 0.08 -0.96 -4.92 117.98 116.08 2ca7 s PHE 47 Ca 0.17 0.90 0.22 0.00 0.12 0.00 0.00 56.93 58.34 2ca7 s PHE 47 Cb -0.23 -2.62 -0.11 0.00 -0.57 0.00 0.00 43.02 39.50 2ca7 s PHE 47 CO -0.02 0.09 0.93 -2.13 -0.10 0.00 0.00 175.22 173.98 2ca7 n ARG 48 N 3.99 0.14 -3.84 0.44 0.00 -1.26 -0.68 116.66 115.45 2ca7 n ARG 48 Ca -0.06 -0.03 -0.12 0.00 -0.00 0.00 0.00 57.85 57.65 2ca7 n ARG 48 Cb 0.51 -1.52 -0.10 0.00 0.00 0.00 0.00 32.46 31.36 2ca7 n ARG 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2ca7 s ARG 49 N -3.11 0.51 0.09 -0.14 3.52 -1.26 -4.87 118.95 113.70 2ca7 s ARG 49 Ca 0.05 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 2ca7 s ARG 49 Cb 0.16 0.22 -0.14 0.00 -1.56 0.00 0.00 34.95 33.63 2ca7 s ARG 49 CO 0.84 -0.13 1.65 1.79 -0.81 0.00 0.00 175.30 178.64 2ca7 h THR 50 N 4.20 0.46 -0.68 4.11 1.35 -1.98 -1.98 112.91 118.39 2ca7 h THR 50 Ca -0.30 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.51 2ca7 h THR 50 Cb 1.19 0.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 2ca7 h THR 50 CO 0.40 0.00 0.24 0.22 -0.25 0.00 0.00 175.52 176.14 2ca7 h TYR 51 N -0.60 1.03 -0.24 4.73 3.20 -1.97 0.30 116.97 123.42 2ca7 h TYR 51 Ca -0.03 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.79 2ca7 h TYR 51 Cb 0.52 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2ca7 h TYR 51 CO -0.13 0.81 0.06 -0.44 -1.64 0.00 0.00 178.16 176.82 2ca7 h ASP 52 N 0.99 0.04 0.35 -2.11 5.19 -1.97 0.46 116.42 119.37 2ca7 h ASP 52 Ca 0.23 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 2ca7 h ASP 52 Cb 0.23 0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2ca7 h ASP 52 CO -0.01 0.06 -0.17 0.00 -3.12 0.00 0.00 179.24 176.00 2ca7 h GLN 54 N -0.52 -0.21 -0.24 0.00 4.15 -0.18 -2.22 115.11 115.89 2ca7 h GLN 54 Ca -0.05 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2ca7 h GLN 54 Cb 0.39 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 2ca7 h GLN 54 CO 0.08 -0.14 0.03 -0.09 -1.93 0.00 0.00 178.83 176.78 2ca7 h ARG 55 N -0.21 0.41 0.12 1.69 2.43 -0.11 -2.30 114.38 116.41 2ca7 h ARG 55 Ca 0.15 -0.12 -0.28 0.00 -0.81 0.00 0.00 59.98 58.92 2ca7 h ARG 55 Cb 0.45 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2ca7 h ARG 55 CO -0.41 0.55 -1.22 0.00 -1.51 0.00 0.00 179.97 177.39 2ca7 h THR 56 N 0.21 1.36 0.00 0.20 1.03 -1.14 -3.21 112.91 111.36 2ca7 h THR 56 Ca 0.07 -2.65 0.00 0.00 -0.01 0.00 0.00 66.41 63.82 2ca7 h THR 56 Cb 0.35 2.75 0.00 0.00 -1.07 0.00 0.00 68.15 70.18 2ca7 h THR 56 CO 0.01 0.79 -1.45 0.00 -0.01 0.00 0.00 175.52 174.86 2ca7 n LEU 58 N -2.20 0.00 -4.09 0.00 7.94 -0.86 -4.70 117.00 113.09 2ca7 n LEU 58 Ca -0.01 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.46 2ca7 n LEU 58 Cb 0.51 0.35 0.01 0.00 0.53 0.00 0.00 43.42 44.81 2ca7 n LEU 58 CO 0.43 0.35 1.29 -1.22 -1.11 0.00 0.00 177.39 177.12 2ca7 n TYR 59 N -2.57 3.35 0.72 1.96 4.01 -1.21 -5.07 117.16 118.34 2ca7 n TYR 59 Ca -0.24 -2.99 0.09 0.00 -0.16 0.00 0.00 57.90 54.60 2ca7 n TYR 59 Cb 0.96 -1.62 0.07 0.00 -0.31 0.00 0.00 39.34 38.45 2ca7 n TYR 59 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03