#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2on8 s GLN 2 N 0.00 4.36 0.12 0.03 -1.52 -1.26 -1.23 119.66 120.16 2on8 s GLN 2 Ca 0.00 0.98 0.08 0.00 -1.95 0.00 0.00 55.36 54.47 2on8 s GLN 2 Cb 0.00 -3.53 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 2on8 s GLN 2 CO 0.00 -0.18 -0.12 -0.06 -0.25 0.00 0.00 175.29 174.69 2on8 s PHE 3 N 1.61 2.67 0.08 0.91 0.40 -0.14 -4.90 117.98 118.61 2on8 s PHE 3 Ca 0.39 -0.19 0.09 0.00 -0.60 0.00 0.00 56.93 56.61 2on8 s PHE 3 Cb -0.17 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 2on8 s PHE 3 CO 0.15 0.43 -0.24 0.21 0.70 0.00 0.00 175.22 176.48 2on8 s LYS 4 N -2.31 1.42 -0.16 0.44 2.20 -0.58 -1.52 119.74 119.23 2on8 s LYS 4 Ca 0.21 -1.14 0.01 0.00 -0.36 0.00 0.00 55.97 54.69 2on8 s LYS 4 Cb -0.11 -1.69 0.02 0.00 -1.51 0.00 0.00 37.83 34.54 2on8 s LYS 4 CO 0.13 0.42 -0.20 -1.17 -0.36 0.00 0.00 175.35 174.17 2on8 s LEU 5 N -1.61 2.05 -0.20 5.43 2.96 0.52 -0.33 118.68 127.49 2on8 s LEU 5 Ca 0.10 -0.60 -0.18 0.00 -0.22 0.00 0.00 54.13 53.23 2on8 s LEU 5 Cb -0.10 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 2on8 s LEU 5 CO 0.04 0.02 0.48 -0.63 -1.32 0.00 0.00 176.35 174.93 2on8 s ILE 6 N 1.14 5.13 -0.28 6.68 1.01 0.41 -1.18 121.20 134.11 2on8 s ILE 6 Ca 0.01 0.87 -0.07 0.00 0.00 0.00 0.00 60.65 61.45 2on8 s ILE 6 Cb -0.14 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 2on8 s ILE 6 CO -0.09 0.20 0.08 -0.63 0.00 0.00 0.00 174.94 174.51 2on8 s ILE 7 N 1.55 4.10 -0.78 2.92 1.01 -0.06 -1.33 121.20 128.61 2on8 s ILE 7 Ca 0.22 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2on8 s ILE 7 Cb -0.15 -3.06 0.20 0.00 0.01 0.00 0.00 42.46 39.47 2on8 s ILE 7 CO 0.09 0.15 0.67 0.59 0.00 0.00 0.00 174.94 176.45 2on8 n ASN 8 N 4.89 3.68 -4.97 3.58 3.02 -0.04 -1.68 115.26 123.75 2on8 n ASN 8 Ca -0.15 -3.23 -0.21 0.00 -0.03 0.00 0.00 54.58 50.97 2on8 n ASN 8 Cb 0.49 -0.87 0.01 0.00 -0.61 0.00 0.00 39.78 38.81 2on8 n ASN 8 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2on8 s GLY 9 N -1.17 2.00 0.18 7.41 0.00 -0.34 -1.19 107.32 114.21 2on8 s GLY 9 Ca 0.28 -1.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.16 2on8 s GLY 9 CO -0.12 -1.70 1.46 0.50 0.00 0.00 0.00 173.10 173.24 2on8 h LYS 10 N 0.60 0.56 0.00 2.90 1.57 -1.97 -3.40 116.57 116.82 2on8 h LYS 10 Ca -0.36 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 57.93 2on8 h LYS 10 Cb 1.28 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 2on8 h LYS 10 CO 0.49 1.00 -1.41 2.41 -0.57 0.00 0.00 179.45 181.37 2on8 n THR 11 N -3.93 0.41 -4.43 -0.16 -1.04 -1.26 -5.02 114.28 98.85 2on8 n THR 11 Ca -0.04 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.05 61.44 2on8 n THR 11 Cb 0.64 -0.78 -0.10 0.00 -1.82 0.00 0.00 70.33 68.27 2on8 n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2on8 s LEU 12 N -5.14 3.43 0.10 -4.42 1.43 -1.26 -5.12 118.68 107.70 2on8 s LEU 12 Ca -0.08 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2on8 s LEU 12 Cb 0.02 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2on8 s LEU 12 CO 0.19 0.33 -0.08 -0.54 0.23 0.00 0.00 176.35 176.47 2on8 s LYS 13 N -0.60 0.85 0.00 1.70 1.02 -1.26 -1.20 119.74 120.25 2on8 s LYS 13 Ca 0.10 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.83 2on8 s LYS 13 Cb -0.12 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 2on8 s LYS 13 CO 0.02 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 2on8 n GLY 14 N 0.25 0.15 3.15 -3.33 0.00 -0.68 -4.95 105.19 99.78 2on8 n GLY 14 Ca -0.14 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 2on8 n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2on8 s GLU 15 N -2.00 0.31 0.08 1.61 2.12 -1.26 -0.88 118.70 118.68 2on8 s GLU 15 Ca 0.00 0.47 0.06 0.00 0.36 0.00 0.00 54.97 55.86 2on8 s GLU 15 Cb 0.00 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.43 2on8 s GLU 15 CO 0.00 -0.08 -0.16 0.96 -0.54 0.00 0.00 175.26 175.44 2on8 s ILE 16 N 0.55 1.28 0.07 -3.70 -4.36 -0.33 -4.97 121.20 109.75 2on8 s ILE 16 Ca -0.03 -1.41 0.09 0.00 -0.26 0.00 0.00 60.65 59.03 2on8 s ILE 16 Cb -0.05 -1.24 -0.03 0.00 1.25 0.00 0.00 42.46 42.39 2on8 s ILE 16 CO -0.03 -0.21 -0.23 0.42 0.24 0.00 0.00 174.94 175.13 2on8 s THR 17 N -1.35 1.90 0.21 8.37 -4.23 -1.26 -0.36 115.64 118.92 2on8 s THR 17 Ca 0.01 -1.41 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 2on8 s THR 17 Cb -0.09 -1.66 -0.00 0.00 1.34 0.00 0.00 72.50 72.08 2on8 s THR 17 CO 0.03 0.17 0.40 -1.48 -0.54 0.00 0.00 174.62 173.20 2on8 s LEU 18 N -1.49 0.53 -0.09 4.79 0.05 -0.58 -5.00 118.68 116.90 2on8 s LEU 18 Ca 0.09 -0.87 -0.15 0.00 0.05 0.00 0.00 54.13 53.26 2on8 s LEU 18 Cb -0.10 1.56 -0.05 0.00 -2.05 0.00 0.00 46.19 45.56 2on8 s LEU 18 CO 0.03 -1.03 0.37 -0.70 -0.55 0.00 0.00 176.35 174.47 2on8 s GLU 19 N -3.99 4.09 0.13 1.48 2.56 -1.26 -0.97 118.70 120.75 2on8 s GLU 19 Ca 0.20 0.28 -0.15 0.00 0.00 0.00 0.00 54.97 55.29 2on8 s GLU 19 Cb 0.01 -3.34 0.03 0.00 2.00 0.00 0.00 34.13 32.83 2on8 s GLU 19 CO 0.04 0.42 0.39 0.00 -0.56 0.00 0.00 175.26 175.56 2on8 s ALA 20 N -0.17 -0.85 0.18 6.30 0.00 -0.36 -4.91 121.76 121.95 2on8 s ALA 20 Ca 0.21 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.12 2on8 s ALA 20 Cb -0.15 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.68 2on8 s ALA 20 CO 0.09 -0.65 1.41 -0.24 0.00 0.00 0.00 175.76 176.37 2on8 h VAL 21 N 2.39 1.58 -3.22 0.00 3.04 -1.95 0.81 116.25 118.89 2on8 h VAL 21 Ca -0.34 -2.83 -0.01 0.00 -1.01 0.00 0.00 66.70 62.51 2on8 h VAL 21 Cb 1.25 2.54 -0.05 0.00 -2.01 0.00 0.00 31.29 33.03 2on8 h VAL 21 CO 0.47 0.81 0.14 1.51 -1.01 0.00 0.00 177.57 179.49 2on8 s ASP 22 N -6.80 -0.06 0.24 3.17 1.47 -1.26 -4.76 116.67 108.67 2on8 s ASP 22 Ca -0.01 -0.89 -0.03 0.00 1.18 0.00 0.00 52.55 52.80 2on8 s ASP 22 Cb 0.11 0.73 0.28 0.00 -0.34 0.00 0.00 42.92 43.69 2on8 s ASP 22 CO 0.80 -1.39 1.72 0.00 0.68 0.00 0.00 175.17 176.98 2on8 h ALA 23 N 2.06 1.03 -0.70 2.11 0.00 -1.99 -1.67 119.26 120.10 2on8 h ALA 23 Ca -0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2on8 h ALA 23 Cb 1.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2on8 h ALA 23 CO 0.32 0.59 0.41 0.00 0.00 0.00 0.00 179.25 180.57 2on8 h ALA 24 N 1.20 0.90 -0.49 0.00 0.00 -1.99 0.53 119.26 119.41 2on8 h ALA 24 Ca 0.14 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2on8 h ALA 24 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2on8 h ALA 24 CO 0.03 0.39 -0.09 1.49 0.00 0.00 0.00 179.25 181.06 2on8 h GLU 25 N 0.96 0.93 -0.79 0.00 4.81 -1.91 -2.21 114.58 116.36 2on8 h GLU 25 Ca 0.25 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2on8 h GLU 25 Cb -0.01 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2on8 h GLU 25 CO -0.04 1.00 0.42 0.00 -0.73 0.00 0.00 179.01 179.66 2on8 h ALA 26 N 0.90 1.02 -0.61 2.92 0.00 -0.92 -2.04 119.26 120.53 2on8 h ALA 26 Ca 0.13 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2on8 h ALA 26 Cb 0.64 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2on8 h ALA 26 CO 0.04 0.54 0.38 1.49 0.00 0.00 0.00 179.25 181.71 2on8 h GLU 27 N 1.11 0.74 -0.19 0.00 4.81 -0.70 0.03 114.58 120.37 2on8 h GLU 27 Ca 0.28 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2on8 h GLU 27 Cb 0.05 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2on8 h GLU 27 CO -0.04 0.49 0.08 -0.22 -0.73 0.00 0.00 179.01 178.59 2on8 h LYS 28 N 0.76 0.18 -0.80 1.92 3.64 -1.09 0.37 116.57 121.54 2on8 h LYS 28 Ca 0.24 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2on8 h LYS 28 Cb -0.01 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2on8 h LYS 28 CO -0.09 0.12 0.44 0.87 -2.27 0.00 0.00 179.45 178.52 2on8 h LYS 29 N 0.18 1.12 -0.10 1.90 1.57 -0.95 -1.00 116.57 119.29 2on8 h LYS 29 Ca 0.08 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 2on8 h LYS 29 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2on8 h LYS 29 CO -0.07 0.82 -0.55 0.74 -0.57 0.00 0.00 179.45 179.82 2on8 h PHE 30 N 1.12 0.36 -0.17 -1.35 0.04 -0.70 -0.72 116.94 115.51 2on8 h PHE 30 Ca 0.28 -0.13 -0.13 0.00 2.80 0.00 0.00 57.97 60.79 2on8 h PHE 30 Cb 0.03 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2on8 h PHE 30 CO 0.00 0.78 -0.46 0.87 -0.60 0.00 0.00 178.31 178.90 2on8 h LYS 31 N 0.22 0.44 -0.39 1.51 1.57 -0.70 -0.01 116.57 119.21 2on8 h LYS 31 Ca 0.00 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2on8 h LYS 31 Cb 1.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2on8 h LYS 31 CO 0.09 0.81 0.05 1.96 -0.57 0.00 0.00 179.45 181.79 2on8 h GLN 32 N 0.35 0.66 -0.38 3.15 4.20 -1.03 -1.46 115.11 120.60 2on8 h GLN 32 Ca 0.02 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.59 2on8 h GLN 32 Cb 0.94 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 2on8 h GLN 32 CO 0.08 0.72 0.15 -0.92 -0.67 0.00 0.00 178.83 178.19 2on8 h TYR 33 N 0.50 0.27 -0.67 2.96 3.20 -0.86 -1.77 116.97 120.61 2on8 h TYR 33 Ca 0.12 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.03 2on8 h TYR 33 Cb 0.39 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 2on8 h TYR 33 CO 0.03 0.12 0.42 0.00 -1.64 0.00 0.00 178.16 177.09 2on8 h ALA 34 N 1.23 0.86 -0.62 1.82 0.00 -0.77 -1.69 119.26 120.09 2on8 h ALA 34 Ca 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2on8 h ALA 34 Cb 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2on8 h ALA 34 CO -0.15 0.18 0.36 -0.91 0.00 0.00 0.00 179.25 178.73 2on8 h ASN 35 N 0.82 0.56 -0.10 0.00 2.35 -0.90 -0.65 115.58 117.65 2on8 h ASN 35 Ca 0.27 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.06 2on8 h ASN 35 Cb 0.01 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 2on8 h ASN 35 CO -0.10 0.38 0.09 0.44 -1.65 0.00 0.00 177.43 176.59 2on8 h ASP 36 N 0.69 0.00 -0.34 5.81 3.32 -0.44 -2.39 116.42 123.06 2on8 h ASP 36 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2on8 h ASP 36 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2on8 h ASP 36 CO -0.14 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.97 2on8 n ASN 37 N -4.09 3.08 -1.72 6.45 3.02 -0.87 -4.99 115.26 116.14 2on8 n ASN 37 Ca -0.00 -1.89 -0.16 0.00 -0.03 0.00 0.00 54.58 52.49 2on8 n ASN 37 Cb 0.20 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 2on8 n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2on8 n GLY 38 N 1.07 0.20 3.69 7.41 0.00 -0.51 -4.98 105.19 112.08 2on8 n GLY 38 Ca 0.15 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 2on8 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2on8 s ILE 39 N -2.77 5.15 -0.10 -0.61 1.01 -0.37 -5.03 121.20 118.48 2on8 s ILE 39 Ca 0.00 0.93 -0.00 0.00 0.00 0.00 0.00 60.65 61.57 2on8 s ILE 39 Cb 0.00 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.67 2on8 s ILE 39 CO 0.00 0.24 -0.05 -0.62 0.00 0.00 0.00 174.94 174.51 2on8 s ASP 40 N 0.95 1.93 0.00 3.58 2.15 -1.26 -4.40 116.67 119.61 2on8 s ASP 40 Ca 0.24 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 52.99 2on8 s ASP 40 Cb -0.15 -0.70 0.00 0.00 -0.30 0.00 0.00 42.92 41.76 2on8 s ASP 40 CO 0.10 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 2on8 n GLY 41 N 4.90 1.91 3.77 2.66 0.00 -1.26 -4.55 105.19 112.62 2on8 n GLY 41 Ca -0.12 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 2on8 n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2on8 s GLU 42 N -0.28 4.14 -0.13 1.61 0.41 -0.07 -4.81 118.70 119.56 2on8 s GLU 42 Ca 0.00 0.30 -0.04 0.00 -0.41 0.00 0.00 54.97 54.83 2on8 s GLU 42 Cb 0.00 -3.35 -0.03 0.00 -1.78 0.00 0.00 34.13 28.97 2on8 s GLU 42 CO 0.00 0.39 0.00 -1.58 -0.49 0.00 0.00 175.26 173.58 2on8 s TRP 43 N -0.06 3.14 0.15 1.61 0.52 -1.26 -1.17 118.94 121.88 2on8 s TRP 43 Ca 0.22 0.01 0.06 0.00 0.02 0.00 0.00 56.10 56.40 2on8 s TRP 43 Cb -0.15 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 2on8 s TRP 43 CO 0.09 0.24 -0.13 0.95 0.02 0.00 0.00 176.95 178.12 2on8 s THR 44 N -0.20 1.37 -0.03 2.01 -4.23 -0.53 -4.99 115.64 109.04 2on8 s THR 44 Ca 0.05 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 2on8 s THR 44 Cb -0.12 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 71.96 2on8 s THR 44 CO 0.02 -0.60 0.04 -0.47 -0.54 0.00 0.00 174.62 173.07 2on8 s TYR 45 N -2.84 0.04 -0.40 3.99 5.04 -1.26 -0.97 117.35 120.96 2on8 s TYR 45 Ca 0.15 0.18 -0.10 0.00 -2.44 0.00 0.00 57.07 54.87 2on8 s TYR 45 Cb -0.01 -0.33 0.06 0.00 0.35 0.00 0.00 41.96 42.03 2on8 s TYR 45 CO 0.03 -0.13 0.23 0.34 -1.34 0.00 0.00 175.55 174.68 2on8 s ASP 46 N 1.49 5.65 0.31 4.32 -1.08 0.10 -4.97 116.67 122.49 2on8 s ASP 46 Ca -0.04 -1.29 0.06 0.00 -0.52 0.00 0.00 52.55 50.76 2on8 s ASP 46 Cb -0.13 -1.99 0.50 0.00 -1.46 0.00 0.00 42.92 39.84 2on8 s ASP 46 CO -0.03 -0.47 1.74 -0.78 0.52 0.00 0.00 175.17 176.15 2on8 h ASP 47 N 8.41 0.28 -0.67 -0.34 3.58 -1.97 -0.79 116.42 124.92 2on8 h ASP 47 Ca -0.24 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.09 2on8 h ASP 47 Cb 1.09 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 2on8 h ASP 47 CO 0.71 0.61 0.36 0.00 -2.88 0.00 0.00 179.24 178.05 2on8 h ALA 48 N 1.41 0.86 -0.24 -0.78 0.00 -1.96 -2.94 119.26 115.60 2on8 h ALA 48 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2on8 h ALA 48 Cb 0.73 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2on8 h ALA 48 CO 0.06 0.38 0.00 0.25 0.00 0.00 0.00 179.25 179.94 2on8 n THR 49 N -4.51 0.29 -3.72 0.00 -2.24 -1.16 -4.96 114.28 97.99 2on8 n THR 49 Ca 0.05 -0.62 -0.26 0.00 -2.27 0.00 0.00 64.05 60.95 2on8 n THR 49 Cb 0.10 1.10 0.06 0.00 -2.10 0.00 0.00 70.33 69.49 2on8 n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2on8 n LYS 50 N 1.33 -6.91 -4.22 -0.78 4.76 -0.35 -4.79 118.16 107.20 2on8 n LYS 50 Ca 0.17 0.73 -0.28 0.00 -2.87 0.00 0.00 58.31 56.07 2on8 n LYS 50 Cb 0.58 -5.71 -0.17 0.00 -1.84 0.00 0.00 35.03 27.89 2on8 n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2on8 s THR 51 N -3.32 1.33 0.27 -0.18 2.01 -0.92 -1.53 115.64 113.29 2on8 s THR 51 Ca 0.59 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 2on8 s THR 51 Cb -0.27 -1.26 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 2on8 s THR 51 CO 0.77 0.41 0.54 -0.36 -0.69 0.00 0.00 174.62 175.29 2on8 s PHE 52 N 1.26 3.47 -0.04 4.92 0.40 0.55 -0.72 117.98 127.81 2on8 s PHE 52 Ca -0.02 0.67 0.03 0.00 -0.60 0.00 0.00 56.93 57.01 2on8 s PHE 52 Cb -0.14 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.28 2on8 s PHE 52 CO -0.05 0.21 -0.11 0.99 0.70 0.00 0.00 175.22 176.96 2on8 s THR 53 N -2.00 1.01 -0.14 0.64 2.01 -0.14 -0.45 115.64 116.57 2on8 s THR 53 Ca 0.44 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2on8 s THR 53 Cb -0.11 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 2on8 s THR 53 CO 0.28 0.31 -0.16 0.54 -0.69 0.00 0.00 174.62 174.91 2on8 s VAL 54 N 0.36 2.70 -0.16 3.82 0.11 -0.44 -1.45 120.40 125.33 2on8 s VAL 54 Ca -0.07 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2on8 s VAL 54 Cb -0.12 -2.13 0.03 0.00 -1.53 0.00 0.00 36.38 32.63 2on8 s VAL 54 CO 0.02 0.52 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.31 2on8 s THR 55 N 0.67 1.46 -2.27 5.04 2.01 -0.31 -0.86 115.64 121.38 2on8 s THR 55 Ca -0.08 -0.69 0.30 0.00 0.31 0.00 0.00 61.69 61.53 2on8 s THR 55 Cb -0.16 -1.46 0.72 0.00 0.01 0.00 0.00 72.50 71.61 2on8 s THR 55 CO 0.02 0.32 1.97 -0.62 -0.69 0.00 0.00 174.62 175.62