#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 -4.15 -3.52 3.14 8.00 -1.26 -4.83 116.55 113.93 2ca7 n ASP 2 Ca 0.00 0.86 -0.13 0.00 0.71 0.00 0.00 54.79 56.23 2ca7 n ASP 2 Cb 0.00 -3.16 -0.04 0.00 -0.02 0.00 0.00 41.12 37.89 2ca7 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ca7 s ARG 3 N -1.13 0.92 0.03 -1.24 1.70 -1.26 -4.52 118.95 113.44 2ca7 s ARG 3 Ca -0.05 0.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.91 2ca7 s ARG 3 Cb 0.00 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 2ca7 s ARG 3 CO 0.15 -0.33 0.97 -2.14 -1.08 0.00 0.00 175.30 172.87 2ca7 s PRO 4 N -1.93 4.59 0.00 3.89 0.02 -1.26 -4.92 135.00 135.39 2ca7 s PRO 4 Ca -0.03 1.42 0.03 0.00 0.02 0.00 0.00 61.00 62.44 2ca7 s PRO 4 Cb -0.00 -3.44 0.18 0.00 0.02 0.00 0.00 34.50 31.25 2ca7 s PRO 4 CO 0.00 0.01 0.53 0.43 -0.33 0.00 0.00 177.00 177.65 2ca7 n SER 5 N 3.63 0.00 0.12 2.53 7.64 -1.26 -2.96 113.62 123.32 2ca7 n SER 5 Ca 0.05 -0.20 0.13 0.00 1.01 0.00 0.00 58.87 59.85 2ca7 n SER 5 Cb 0.51 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 64.15 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 -0.81 0.76 0.00 -3.43 4.77 -1.26 -1.88 117.00 115.15 2ca7 n LEU 6 Ca 0.02 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 2ca7 n LEU 6 Cb 0.01 -0.44 0.62 0.00 -2.33 0.00 0.00 43.42 41.28 2ca7 n LEU 6 CO 0.02 -0.37 0.96 0.00 -1.33 0.00 0.00 177.39 176.67 2ca7 n ASP 8 N -1.48 3.34 -4.77 0.00 2.03 -0.79 -4.66 116.55 110.22 2ca7 n ASP 8 Ca 0.07 -2.00 -0.39 0.00 0.52 0.00 0.00 54.79 52.99 2ca7 n ASP 8 Cb 0.33 -0.17 -0.06 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.66 4.47 0.51 -2.67 2.01 -1.09 -5.06 118.68 115.19 2ca7 s LEU 9 Ca 0.35 1.32 -0.21 0.00 0.01 0.00 0.00 54.13 55.60 2ca7 s LEU 9 Cb 0.22 -3.04 -0.07 0.00 0.01 0.00 0.00 46.19 43.31 2ca7 s LEU 9 CO 0.31 0.13 1.13 -2.16 1.01 0.00 0.00 176.35 176.78 2ca7 s PRO 10 N -0.46 3.54 -0.11 1.29 0.04 -1.26 -4.94 135.00 133.10 2ca7 s PRO 10 Ca 0.33 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2ca7 s PRO 10 Cb -0.20 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 2ca7 s PRO 10 CO 0.20 -0.71 1.31 0.00 0.04 0.00 0.00 177.00 177.84 2ca7 s ALA 11 N -1.70 3.61 -0.20 8.56 0.00 -1.26 -4.89 121.76 125.87 2ca7 s ALA 11 Ca 0.69 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 53.20 2ca7 s ALA 11 Cb -0.25 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 2ca7 s ALA 11 CO 0.29 -1.07 -0.03 0.34 0.00 0.00 0.00 175.76 175.29 2ca7 s ASP 12 N 2.00 4.53 -0.18 0.00 2.15 -1.26 -5.03 116.67 118.88 2ca7 s ASP 12 Ca 0.58 -0.29 -0.14 0.00 0.43 0.00 0.00 52.55 53.12 2ca7 s ASP 12 Cb -0.25 -1.77 -0.09 0.00 -0.30 0.00 0.00 42.92 40.51 2ca7 s ASP 12 CO 0.19 0.04 -0.10 -1.54 -0.17 0.00 0.00 175.17 173.59 2ca7 n SER 13 N 4.43 1.85 0.00 -0.34 3.41 -1.26 -3.52 113.62 118.19 2ca7 n SER 13 Ca -0.18 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2ca7 n SER 13 Cb 0.51 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2ca7 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ca7 n GLY 14 N 1.51 2.47 1.57 5.00 0.00 -0.87 -3.84 105.19 111.03 2ca7 n GLY 14 Ca -0.20 -1.58 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 3.98 -3.01 1.61 7.64 -1.26 -4.44 113.62 118.14 2ca7 n SER 15 Ca 0.00 -3.80 -0.15 0.00 1.01 0.00 0.00 58.87 55.94 2ca7 n SER 15 Cb 0.00 -0.55 0.12 0.00 -1.01 0.00 0.00 64.21 62.77 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 -0.93 -2.41 0.14 0.23 0.00 -1.26 -4.99 105.19 95.97 2ca7 n GLY 16 Ca 0.39 -1.50 0.05 0.00 0.00 0.00 0.00 46.02 44.96 2ca7 n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ca7 h THR 17 N -1.99 0.48 -1.42 2.61 1.35 -1.94 -3.47 112.91 108.52 2ca7 h THR 17 Ca -0.20 -1.75 -0.47 0.00 -0.55 0.00 0.00 66.41 63.44 2ca7 h THR 17 Cb 0.61 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 2ca7 h THR 17 CO 0.13 0.27 -0.32 -0.75 -0.25 0.00 0.00 175.52 174.61 2ca7 s LYS 18 N -3.06 2.61 -0.16 4.72 2.20 -1.17 -5.09 119.74 119.78 2ca7 s LYS 18 Ca 0.02 -1.47 0.01 0.00 -0.36 0.00 0.00 55.97 54.17 2ca7 s LYS 18 Cb 0.08 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 2ca7 s LYS 18 CO 0.75 -0.26 -0.17 0.00 -0.36 0.00 0.00 175.35 175.31 2ca7 s ALA 19 N -2.45 2.42 -0.04 3.13 0.00 -1.26 -4.30 121.76 119.26 2ca7 s ALA 19 Ca 0.50 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 2ca7 s ALA 19 Cb -0.05 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 21.90 2ca7 s ALA 19 CO 0.30 -0.12 0.02 -2.00 0.00 0.00 0.00 175.76 173.95 2ca7 s GLU 20 N 0.95 0.25 -0.46 0.00 2.56 0.14 -4.96 118.70 117.19 2ca7 s GLU 20 Ca -0.03 0.16 -0.19 0.00 0.00 0.00 0.00 54.97 54.90 2ca7 s GLU 20 Cb -0.15 -0.56 0.04 0.00 2.00 0.00 0.00 34.13 35.45 2ca7 s GLU 20 CO -0.03 -0.21 0.59 0.21 -0.56 0.00 0.00 175.26 175.26 2ca7 s LYS 21 N 1.45 3.18 0.12 4.30 2.36 -1.26 0.04 119.74 129.93 2ca7 s LYS 21 Ca -0.04 -0.65 0.00 0.00 -2.55 0.00 0.00 55.97 52.73 2ca7 s LYS 21 Cb -0.13 -4.01 -0.00 0.00 -1.05 0.00 0.00 37.83 32.64 2ca7 s LYS 21 CO -0.03 -1.06 0.01 0.54 1.55 0.00 0.00 175.35 176.37 2ca7 n ARG 22 N 6.09 1.38 -4.06 4.03 5.12 -0.38 -4.98 116.66 123.86 2ca7 n ARG 22 Ca -0.05 -0.95 -0.14 0.00 -1.93 0.00 0.00 57.85 54.78 2ca7 n ARG 22 Cb 0.47 0.35 -0.14 0.00 -1.16 0.00 0.00 32.46 31.97 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 -1.65 0.27 0.13 0.55 2.07 -0.41 -1.90 121.20 120.27 2ca7 s ILE 23 Ca 0.02 -0.19 -0.00 0.00 -1.41 0.00 0.00 60.65 59.06 2ca7 s ILE 23 Cb 0.00 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 2ca7 s ILE 23 CO 0.01 0.05 0.03 -0.72 -1.91 0.00 0.00 174.94 172.40 2ca7 s TYR 24 N -0.16 0.91 0.04 3.50 1.13 0.56 0.01 117.35 123.35 2ca7 s TYR 24 Ca 0.01 -1.15 -0.25 0.00 -1.41 0.00 0.00 57.07 54.27 2ca7 s TYR 24 Cb -0.02 -0.53 -0.05 0.00 -1.10 0.00 0.00 41.96 40.26 2ca7 s TYR 24 CO -0.00 -0.41 0.76 -0.47 -2.51 0.00 0.00 175.55 172.91 2ca7 s TYR 25 N -3.92 3.73 -0.28 -3.49 5.04 -1.26 -0.22 117.35 116.94 2ca7 s TYR 25 Ca 0.22 1.45 -0.12 0.00 -2.44 0.00 0.00 57.07 56.18 2ca7 s TYR 25 Cb 0.07 -2.81 -0.05 0.00 0.35 0.00 0.00 41.96 39.53 2ca7 s TYR 25 CO 0.01 0.27 0.23 1.21 -1.34 0.00 0.00 175.55 175.93 2ca7 s ASN 26 N -0.03 6.07 0.15 4.32 3.84 0.37 -4.88 114.94 124.77 2ca7 s ASN 26 Ca 0.38 0.02 -0.09 0.00 0.21 0.00 0.00 52.86 53.38 2ca7 s ASN 26 Cb -0.20 -2.14 -0.01 0.00 -0.55 0.00 0.00 41.25 38.35 2ca7 s ASN 26 CO 0.23 -0.09 1.48 0.28 -2.79 0.00 0.00 177.10 176.21 2ca7 h SER 27 N 8.34 0.92 0.25 -4.21 0.02 -1.84 0.43 113.55 117.46 2ca7 h SER 27 Ca -0.34 -0.44 -0.26 0.00 -0.84 0.00 0.00 61.79 59.91 2ca7 h SER 27 Cb 1.18 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.47 2ca7 h SER 27 CO 0.57 1.22 -1.06 0.00 -1.14 0.00 0.00 176.83 176.42 2ca7 h ALA 28 N 0.81 0.20 0.00 3.77 0.00 -1.94 -3.10 119.26 119.00 2ca7 h ALA 28 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2ca7 h ALA 28 Cb 1.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ca7 h ALA 28 CO 0.10 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.12 2ca7 h ARG 29 N 0.26 0.00 -4.11 0.00 2.47 -1.98 -3.46 114.38 107.56 2ca7 h ARG 29 Ca -0.12 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.26 2ca7 h ARG 29 Cb 1.72 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.03 2ca7 h ARG 29 CO 0.19 0.00 -0.47 1.17 0.56 0.00 0.00 179.97 181.43 2ca7 n LYS 30 N -2.81 -2.89 -4.03 0.04 0.00 0.12 -4.96 118.16 103.62 2ca7 n LYS 30 Ca 0.04 0.72 -0.12 0.00 0.00 0.00 0.00 58.31 58.94 2ca7 n LYS 30 Cb 0.44 -5.41 -0.12 0.00 0.00 0.00 0.00 35.03 29.94 2ca7 n LYS 30 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2ca7 s GLN 31 N -5.37 0.36 0.04 1.64 -0.21 -1.07 -4.96 119.66 110.10 2ca7 s GLN 31 Ca 0.14 -0.47 -0.27 0.00 0.02 0.00 0.00 55.36 54.78 2ca7 s GLN 31 Cb -0.07 -0.17 -0.05 0.00 1.00 0.00 0.00 33.01 33.72 2ca7 s GLN 31 CO 0.17 0.03 0.85 0.00 -2.12 0.00 0.00 175.29 174.22 2ca7 s LEU 33 N 0.26 2.30 -0.11 0.00 2.01 0.69 -4.91 118.68 118.93 2ca7 s LEU 33 Ca 0.43 -1.41 -0.00 0.00 0.01 0.00 0.00 54.13 53.16 2ca7 s LEU 33 Cb -0.21 -0.47 -0.02 0.00 0.01 0.00 0.00 46.19 45.50 2ca7 s LEU 33 CO 0.25 -0.62 -0.09 -0.60 1.01 0.00 0.00 176.35 176.30 2ca7 s ARG 34 N -3.84 3.15 0.22 1.70 3.00 -1.26 -0.32 118.95 121.59 2ca7 s ARG 34 Ca 0.34 -0.61 -0.02 0.00 -1.00 0.00 0.00 55.73 54.44 2ca7 s ARG 34 Cb 0.08 -2.65 -0.03 0.00 0.00 0.00 0.00 34.95 32.35 2ca7 s ARG 34 CO 0.15 0.41 0.20 -0.59 0.00 0.00 0.00 175.30 175.47 2ca7 s PHE 35 N -0.13 1.10 -0.23 5.12 -0.71 -0.80 -4.98 117.98 117.36 2ca7 s PHE 35 Ca 0.00 -1.32 -0.11 0.00 -1.04 0.00 0.00 56.93 54.47 2ca7 s PHE 35 Cb -0.13 -0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 41.16 2ca7 s PHE 35 CO 0.03 -0.72 0.17 -0.51 -1.34 0.00 0.00 175.22 172.85 2ca7 s ASP 36 N -3.16 6.15 -0.10 1.98 1.11 -1.26 -1.25 116.67 120.14 2ca7 s ASP 36 Ca 0.37 0.16 -0.02 0.00 0.18 0.00 0.00 52.55 53.24 2ca7 s ASP 36 Cb 0.05 -2.11 -0.03 0.00 1.07 0.00 0.00 42.92 41.90 2ca7 s ASP 36 CO 0.13 0.08 -0.01 -0.47 1.18 0.00 0.00 175.17 176.08 2ca7 s TYR 37 N 0.93 3.13 -0.39 4.23 6.14 0.11 -4.88 117.35 126.62 2ca7 s TYR 37 Ca 0.08 0.11 0.07 0.00 0.64 0.00 0.00 57.07 57.97 2ca7 s TYR 37 Cb -0.13 -1.82 0.69 0.00 0.42 0.00 0.00 41.96 41.12 2ca7 s TYR 37 CO 0.03 0.38 1.85 0.25 0.64 0.00 0.00 175.55 178.71 2ca7 n THR 38 N 2.39 3.06 0.00 4.34 -2.24 -1.25 -0.68 114.28 119.90 2ca7 n THR 38 Ca -0.18 -1.86 0.00 0.00 -2.27 0.00 0.00 64.05 59.74 2ca7 n THR 38 Cb 0.53 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.75 2.31 2.99 3.38 0.00 -1.26 -3.04 105.19 108.81 2ca7 n GLY 39 Ca 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 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 0.41 0.00 1.61 -0.44 -1.26 -4.95 119.66 115.02 2ca7 s GLN 40 Ca 0.00 -0.41 0.00 0.00 -2.50 0.00 0.00 55.36 52.45 2ca7 s GLN 40 Cb 0.00 -0.28 0.00 0.00 -1.64 0.00 0.00 33.01 31.09 2ca7 s GLN 40 CO 0.00 0.06 0.00 0.41 0.50 0.00 0.00 175.29 176.26 2ca7 n GLY 41 N 2.30 0.87 0.00 2.59 0.00 -1.26 -4.11 105.19 105.58 2ca7 n GLY 41 Ca -0.17 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.34 5.18 3.28 -0.02 0.00 -1.26 -2.05 105.19 109.97 2ca7 n GLY 42 Ca 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 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 0.53 0.12 0.33 1.61 2.20 -1.23 -4.93 114.94 113.57 2ca7 s ASN 43 Ca 0.00 -1.23 0.06 0.00 -0.94 0.00 0.00 52.86 50.75 2ca7 s ASN 43 Cb 0.00 0.41 0.57 0.00 -2.00 0.00 0.00 41.25 40.23 2ca7 s ASN 43 CO 0.00 -0.88 1.81 1.05 -2.94 0.00 0.00 177.10 176.14 2ca7 h GLU 44 N 2.59 0.38 -5.16 3.55 4.11 -1.93 -3.36 114.58 114.75 2ca7 h GLU 44 Ca -0.34 -0.11 -0.34 0.00 0.07 0.00 0.00 59.36 58.64 2ca7 h GLU 44 Cb 1.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2ca7 h GLU 44 CO 0.50 0.55 1.08 -1.71 0.07 0.00 0.00 179.01 179.50 2ca7 n ASN 45 N -4.19 2.40 -3.42 3.06 5.15 -1.26 -4.73 115.26 112.27 2ca7 n ASN 45 Ca -0.00 -2.63 -0.22 0.00 -0.60 0.00 0.00 54.58 51.12 2ca7 n ASN 45 Cb 0.34 -1.52 -0.10 0.00 -0.53 0.00 0.00 39.78 37.96 2ca7 n ASN 45 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ca7 s ASN 46 N 6.73 2.14 -0.10 1.20 2.47 -1.26 -4.74 114.94 121.38 2ca7 s ASN 46 Ca 0.70 -1.53 -0.08 0.00 0.42 0.00 0.00 52.86 52.36 2ca7 s ASN 46 Cb 0.02 0.14 -0.04 0.00 -1.45 0.00 0.00 41.25 39.92 2ca7 s ASN 46 CO 0.16 -0.33 0.19 -0.36 -3.72 0.00 0.00 177.10 173.04 2ca7 s PHE 47 N 1.63 3.61 -0.51 0.43 0.08 0.10 -4.95 117.98 118.37 2ca7 s PHE 47 Ca 0.14 0.60 0.22 0.00 0.12 0.00 0.00 56.93 58.01 2ca7 s PHE 47 Cb -0.17 -2.01 -0.25 0.00 -0.57 0.00 0.00 43.02 40.01 2ca7 s PHE 47 CO -0.13 0.70 0.72 -2.13 -0.10 0.00 0.00 175.22 174.27 2ca7 n ARG 48 N 2.04 0.34 -4.09 0.44 0.63 -1.26 -1.29 116.66 113.46 2ca7 n ARG 48 Ca -0.19 -0.09 -0.17 0.00 -0.92 0.00 0.00 57.85 56.48 2ca7 n ARG 48 Cb 0.54 -1.52 -0.15 0.00 0.45 0.00 0.00 32.46 31.78 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 -3.26 0.46 0.18 -0.14 3.52 -1.26 -4.91 118.95 113.54 2ca7 s ARG 49 Ca 0.00 -0.10 -0.13 0.00 -0.13 0.00 0.00 55.73 55.37 2ca7 s ARG 49 Cb 0.15 -0.49 0.13 0.00 -1.56 0.00 0.00 34.95 33.18 2ca7 s ARG 49 CO 0.88 0.01 1.81 1.15 -0.81 0.00 0.00 175.30 178.34 2ca7 h THR 50 N 5.54 1.02 -0.73 4.11 2.02 -1.98 -1.75 112.91 121.14 2ca7 h THR 50 Ca -0.33 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2ca7 h THR 50 Cb 1.17 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 2ca7 h THR 50 CO 0.49 0.11 0.42 0.22 0.37 0.00 0.00 175.52 177.14 2ca7 h TYR 51 N 0.60 0.97 -0.70 3.16 3.20 -1.98 -0.72 116.97 121.49 2ca7 h TYR 51 Ca 0.22 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.11 2ca7 h TYR 51 Cb 0.07 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.99 2ca7 h TYR 51 CO -0.08 0.65 0.45 -0.44 -1.64 0.00 0.00 178.16 177.11 2ca7 h ASP 52 N 1.01 0.76 0.17 -2.11 5.19 -1.75 0.55 116.42 120.23 2ca7 h ASP 52 Ca 0.26 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 2ca7 h ASP 52 Cb -0.02 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.32 2ca7 h ASP 52 CO -0.05 0.54 -0.08 0.00 -3.12 0.00 0.00 179.24 176.53 2ca7 h GLN 54 N -0.32 -0.16 0.25 0.00 4.15 -0.70 -1.07 115.11 117.27 2ca7 h GLN 54 Ca -0.02 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 2ca7 h GLN 54 Cb 0.25 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2ca7 h GLN 54 CO 0.04 -0.11 -0.12 -0.09 -1.93 0.00 0.00 178.83 176.62 2ca7 h ARG 55 N -0.17 -0.33 -0.12 1.69 2.43 0.10 -2.09 114.38 115.89 2ca7 h ARG 55 Ca 0.16 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2ca7 h ARG 55 Cb 0.42 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2ca7 h ARG 55 CO -0.41 -0.07 -0.28 0.00 -1.51 0.00 0.00 179.97 177.70 2ca7 h THR 56 N -0.56 1.38 0.00 0.20 1.03 -1.10 -3.29 112.91 110.57 2ca7 h THR 56 Ca -0.03 -1.58 0.00 0.00 -0.01 0.00 0.00 66.41 64.79 2ca7 h THR 56 Cb 0.41 2.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.60 2ca7 h THR 56 CO 0.06 0.46 -1.64 0.00 -0.01 0.00 0.00 175.52 174.38 2ca7 n LEU 58 N -2.20 0.00 -4.50 0.00 7.94 -0.79 -4.60 117.00 112.85 2ca7 n LEU 58 Ca -0.02 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.45 2ca7 n LEU 58 Cb 0.52 0.13 -0.01 0.00 0.53 0.00 0.00 43.42 44.59 2ca7 n LEU 58 CO 0.44 0.13 1.46 -0.31 -1.11 0.00 0.00 177.39 178.00 2ca7 s TYR 59 N -3.20 3.10 0.00 1.96 2.02 -1.21 -5.05 117.35 114.97 2ca7 s TYR 59 Ca -0.08 -1.66 0.00 0.00 -0.37 0.00 0.00 57.07 54.96 2ca7 s TYR 59 Cb 0.11 -4.47 0.00 0.00 -0.40 0.00 0.00 41.96 37.20 2ca7 s TYR 59 CO 0.85 -1.60 0.00 -2.37 -1.57 0.00 0.00 175.55 170.87