#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnl s SER 2 N 0.00 5.07 -0.59 1.61 0.01 -1.26 -5.04 113.70 113.50 2rnl s SER 2 Ca 0.00 -2.84 -0.18 0.00 1.31 0.00 0.00 55.95 54.25 2rnl s SER 2 Cb 0.00 -1.81 0.12 0.00 0.21 0.00 0.00 66.02 64.54 2rnl s SER 2 CO 0.00 -0.35 0.64 -0.55 0.41 0.00 0.00 173.24 173.39 2rnl s SER 3 N 0.57 6.23 -0.40 2.44 0.15 -1.26 -4.92 113.70 116.51 2rnl s SER 3 Ca 0.16 -1.66 0.02 0.00 0.70 0.00 0.00 55.95 55.18 2rnl s SER 3 Cb -0.21 -2.26 0.19 0.00 -1.71 0.00 0.00 66.02 62.02 2rnl s SER 3 CO -0.03 -0.99 0.80 -0.83 1.20 0.00 0.00 173.24 173.40 2rnl s GLY 4 N 3.54 -1.41 0.01 9.45 0.00 -1.26 -5.15 107.32 112.50 2rnl s GLY 4 Ca 0.09 0.38 -0.15 0.00 0.00 0.00 0.00 44.72 45.04 2rnl s GLY 4 CO 0.04 3.89 0.42 -0.45 0.00 0.00 0.00 173.10 177.00 2rnl s SER 5 N 1.57 6.83 -0.23 1.64 0.15 -1.26 -5.07 113.70 117.33 2rnl s SER 5 Ca 0.19 0.99 -0.02 0.00 0.70 0.00 0.00 55.95 57.81 2rnl s SER 5 Cb 0.00 -2.26 0.01 0.00 -1.71 0.00 0.00 66.02 62.07 2rnl s SER 5 CO -0.09 0.32 -0.07 -0.44 1.20 0.00 0.00 173.24 174.16 2rnl s SER 6 N -1.09 4.15 -0.28 5.45 0.01 -1.26 -4.99 113.70 115.70 2rnl s SER 6 Ca 0.24 -0.69 0.12 0.00 1.31 0.00 0.00 55.95 56.94 2rnl s SER 6 Cb -0.17 -1.66 0.47 0.00 0.21 0.00 0.00 66.02 64.87 2rnl s SER 6 CO 0.14 -0.08 1.17 0.61 0.41 0.00 0.00 173.24 175.49 2rnl n GLY 7 N 4.71 4.96 3.44 3.44 0.00 -1.26 -5.06 105.19 115.42 2rnl n GLY 7 Ca -0.18 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.49 2rnl n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rnl s LYS 8 N -3.62 1.62 -0.36 1.61 1.02 -1.26 -5.13 119.74 113.63 2rnl s LYS 8 Ca 0.43 -1.89 -0.06 0.00 0.02 0.00 0.00 55.97 54.48 2rnl s LYS 8 Cb 0.38 -0.88 0.05 0.00 -0.52 0.00 0.00 37.83 36.87 2rnl s LYS 8 CO 0.01 -0.16 0.14 0.15 -0.92 0.00 0.00 175.35 174.57 2rnl s LYS 9 N -3.87 2.54 0.05 1.68 1.02 -1.26 -5.09 119.74 114.81 2rnl s LYS 9 Ca 0.35 -1.31 -0.04 0.00 0.02 0.00 0.00 55.97 55.00 2rnl s LYS 9 Cb 0.08 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 2rnl s LYS 9 CO 0.15 -0.76 0.27 -0.80 -0.92 0.00 0.00 175.35 173.29 2rnl s ASN 10 N 1.57 6.44 0.25 2.83 -0.87 -1.26 -5.01 114.94 118.90 2rnl s ASN 10 Ca -0.00 0.46 0.03 0.00 -1.57 0.00 0.00 52.86 51.78 2rnl s ASN 10 Cb -0.21 -2.04 0.32 0.00 -0.02 0.00 0.00 41.25 39.30 2rnl s ASN 10 CO 0.02 0.18 1.63 1.55 -2.57 0.00 0.00 177.10 177.91 2rnl h PRO 11 N 3.42 0.37 -0.49 -0.60 0.13 -1.98 -2.51 132.00 130.35 2rnl h PRO 11 Ca -0.47 -0.20 0.14 0.00 -0.87 0.00 0.00 66.00 64.60 2rnl h PRO 11 Cb 1.18 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2rnl h PRO 11 CO 0.71 0.75 0.40 0.00 -0.23 0.00 0.00 178.00 179.63 2rnl n ASN 13 N -4.11 2.67 -0.00 0.00 0.23 -1.13 -2.30 115.26 110.62 2rnl n ASN 13 Ca 0.09 -2.29 -0.01 0.00 -0.53 0.00 0.00 54.58 51.84 2rnl n ASN 13 Cb 0.61 -0.22 -0.00 0.00 -2.08 0.00 0.00 39.78 38.08 2rnl n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rnl n ALA 14 N -0.23 1.76 0.00 -2.53 0.00 0.51 -4.87 120.51 115.15 2rnl n ALA 14 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2rnl n ALA 14 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2rnl n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rnl n GLU 15 N -2.82 1.74 -0.37 0.00 -0.58 -0.53 -4.64 120.64 113.44 2rnl n GLU 15 Ca -0.01 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.76 2rnl n GLU 15 Cb 0.05 -0.95 0.18 0.00 -0.57 0.00 0.00 31.44 30.16 2rnl n GLU 15 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2rnl n PHE 16 N -1.53 0.86 -0.35 -0.32 3.01 0.10 -4.24 117.46 115.00 2rnl n PHE 16 Ca 0.00 -0.31 -0.02 0.00 1.01 0.00 0.00 57.45 58.13 2rnl n PHE 16 Cb 0.17 -0.23 0.12 0.00 -0.01 0.00 0.00 39.48 39.52 2rnl n PHE 16 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2rnl h GLN 17 N 1.87 1.27 0.00 -1.08 4.15 -1.56 -2.76 115.11 116.99 2rnl h GLN 17 Ca 0.00 -0.10 -0.25 0.00 0.77 0.00 0.00 58.65 59.07 2rnl h GLN 17 Cb 1.04 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 28.41 2rnl h GLN 17 CO 0.18 0.87 -1.47 -0.91 -1.93 0.00 0.00 178.83 175.57 2rnl h ASN 18 N 1.29 0.00 -0.85 -0.69 2.35 -1.85 -3.38 115.58 112.45 2rnl h ASN 18 Ca 0.34 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.18 2rnl h ASN 18 Cb -0.09 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.17 2rnl h ASN 18 CO -0.07 0.90 -0.48 0.33 -1.65 0.00 0.00 177.43 176.46 2rnl n PHE 19 N -3.08 -0.32 -2.54 1.19 7.35 -1.04 -2.84 117.46 116.18 2rnl n PHE 19 Ca -0.12 1.06 -0.41 0.00 -0.76 0.00 0.00 57.45 57.22 2rnl n PHE 19 Cb 0.98 -0.60 -0.02 0.00 0.35 0.00 0.00 39.48 40.18 2rnl n PHE 19 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2rnl h ILE 21 N 6.38 0.00 -3.27 0.00 2.04 -1.51 -3.39 117.51 117.76 2rnl h ILE 21 Ca 0.28 0.00 -0.60 0.00 1.00 0.00 0.00 64.86 65.54 2rnl h ILE 21 Cb 0.96 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.64 2rnl h ILE 21 CO 1.43 0.00 -0.75 -1.00 0.00 0.00 0.00 178.15 177.83 2rnl s HIS 22 N -4.17 2.16 0.00 1.37 3.76 -0.71 -5.03 115.29 112.68 2rnl s HIS 22 Ca -0.07 -2.03 0.00 0.00 -0.15 0.00 0.00 55.06 52.82 2rnl s HIS 22 Cb 0.03 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.73 2rnl s HIS 22 CO 0.26 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 173.66 2rnl n GLY 23 N 4.69 1.01 3.76 -2.22 0.00 -1.26 -4.43 105.19 106.74 2rnl n GLY 23 Ca -0.00 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 2rnl n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rnl s GLU 24 N -1.95 4.50 -0.17 1.61 2.56 -0.43 -4.85 118.70 119.97 2rnl s GLU 24 Ca 0.00 1.08 -0.10 0.00 0.00 0.00 0.00 54.97 55.95 2rnl s GLU 24 Cb 0.00 -3.32 -0.05 0.00 2.00 0.00 0.00 34.13 32.76 2rnl s GLU 24 CO 0.00 0.40 0.15 0.00 -0.56 0.00 0.00 175.26 175.25 2rnl s LYS 26 N -0.01 0.11 0.18 0.00 2.36 -0.80 -4.97 119.74 116.60 2rnl s LYS 26 Ca 0.11 0.08 -0.30 0.00 -2.55 0.00 0.00 55.97 53.31 2rnl s LYS 26 Cb -0.11 -1.46 -0.08 0.00 -1.05 0.00 0.00 37.83 35.13 2rnl s LYS 26 CO 0.00 -0.63 1.11 -0.47 1.55 0.00 0.00 175.35 176.91 2rnl s TYR 27 N 2.22 3.58 -0.27 4.03 5.04 -1.26 -3.37 117.35 127.33 2rnl s TYR 27 Ca 0.04 1.58 -0.10 0.00 -2.44 0.00 0.00 57.07 56.16 2rnl s TYR 27 Cb -0.16 -3.29 -0.04 0.00 0.35 0.00 0.00 41.96 38.82 2rnl s TYR 27 CO -0.10 -0.66 0.15 0.42 -1.34 0.00 0.00 175.55 174.02 2rnl s ILE 28 N -0.23 5.06 -0.08 3.14 -1.09 0.52 -4.99 121.20 123.52 2rnl s ILE 28 Ca 0.50 0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.95 2rnl s ILE 28 Cb -0.30 -3.39 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 2rnl s ILE 28 CO 0.35 0.29 -0.09 -0.33 -1.23 0.00 0.00 174.94 173.93 2rnl h GLU 29 N 8.20 0.00 -1.12 2.79 5.08 -1.94 0.81 114.58 128.39 2rnl h GLU 29 Ca -0.36 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 58.44 2rnl h GLU 29 Cb 1.18 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.27 2rnl h GLU 29 CO 0.57 0.00 0.65 -2.39 -1.00 0.00 0.00 179.01 176.85 2rnl n HIS 30 N -3.80 1.01 -0.01 4.33 1.44 -1.26 0.13 115.22 117.06 2rnl n HIS 30 Ca -0.03 1.02 0.05 0.00 -2.01 0.00 0.00 57.72 56.75 2rnl n HIS 30 Cb 0.13 -1.43 -0.14 0.00 0.12 0.00 0.00 29.99 28.66 2rnl n HIS 30 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2rnl n LEU 31 N -5.08 0.18 -2.68 2.39 4.77 -1.26 -5.00 117.00 110.32 2rnl n LEU 31 Ca 0.39 0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 2rnl n LEU 31 Cb 1.38 0.12 0.06 0.00 -2.33 0.00 0.00 43.42 42.65 2rnl n LEU 31 CO 0.07 0.11 0.14 -0.62 -1.33 0.00 0.00 177.39 175.76 2rnl n GLU 32 N -2.48 -5.24 -4.16 3.23 1.02 0.34 -5.03 120.64 108.31 2rnl n GLU 32 Ca -0.11 0.59 -0.12 0.00 -0.02 0.00 0.00 57.16 57.50 2rnl n GLU 32 Cb 0.73 -4.87 -0.10 0.00 -0.02 0.00 0.00 31.44 27.18 2rnl n GLU 32 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rnl s ALA 33 N -3.23 0.96 -0.08 0.62 0.00 -0.22 -4.98 121.76 114.83 2rnl s ALA 33 Ca 0.26 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 2rnl s ALA 33 Cb -0.11 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2rnl s ALA 33 CO 0.51 -0.16 0.17 0.08 0.00 0.00 0.00 175.76 176.36 2rnl s VAL 34 N -3.03 5.47 0.12 0.00 1.01 -1.26 -0.36 120.40 122.35 2rnl s VAL 34 Ca 0.07 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2rnl s VAL 34 Cb 0.01 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2rnl s VAL 34 CO -0.03 0.53 0.28 0.28 0.00 0.00 0.00 175.10 176.17 2rnl s THR 35 N -1.12 0.10 -0.06 3.92 -1.32 -1.22 -4.96 115.64 110.99 2rnl s THR 35 Ca 0.19 -1.06 -0.03 0.00 -1.21 0.00 0.00 61.69 59.58 2rnl s THR 35 Cb -0.12 -1.44 0.04 0.00 -1.51 0.00 0.00 72.50 69.47 2rnl s THR 35 CO 0.09 -0.45 0.11 0.00 -2.21 0.00 0.00 174.62 172.15 2rnl s LYS 37 N 2.18 4.22 -0.12 0.00 2.47 0.25 -4.78 119.74 123.96 2rnl s LYS 37 Ca 0.04 1.93 -0.20 0.00 -1.56 0.00 0.00 55.97 56.18 2rnl s LYS 37 Cb -0.12 -3.82 -0.04 0.00 -1.46 0.00 0.00 37.83 32.39 2rnl s LYS 37 CO -0.04 -0.74 0.58 0.00 0.16 0.00 0.00 175.35 175.31 2rnl n GLN 39 N 4.05 0.40 -0.32 0.00 1.13 -1.26 -4.73 117.38 116.65 2rnl n GLN 39 Ca -0.04 0.20 0.28 0.00 -1.94 0.00 0.00 57.00 55.50 2rnl n GLN 39 Cb 0.51 -2.37 0.52 0.00 0.11 0.00 0.00 30.24 29.01 2rnl n GLN 39 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2rnl n GLN 40 N -2.62 -0.06 -0.13 -1.09 10.64 -1.26 0.14 117.38 122.99 2rnl n GLN 40 Ca 0.14 1.39 -0.11 0.00 -1.83 0.00 0.00 57.00 56.59 2rnl n GLN 40 Cb 0.50 -2.43 -0.02 0.00 -0.86 0.00 0.00 30.24 27.43 2rnl n GLN 40 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 2rnl h GLU 41 N 0.00 0.71 -6.99 2.61 4.11 -1.96 -3.44 114.58 109.62 2rnl h GLU 41 Ca 0.79 -0.25 -0.45 0.00 0.07 0.00 0.00 59.36 59.52 2rnl h GLU 41 Cb 2.01 -0.05 0.06 0.00 0.50 0.00 0.00 28.75 31.27 2rnl h GLU 41 CO -0.80 0.83 0.05 0.71 0.07 0.00 0.00 179.01 179.86 2rnl s TYR 42 N -4.91 2.37 0.30 2.06 2.02 0.38 -4.41 117.35 115.15 2rnl s TYR 42 Ca -0.13 -0.07 -0.18 0.00 -0.37 0.00 0.00 57.07 56.32 2rnl s TYR 42 Cb 0.10 -2.89 0.07 0.00 -0.40 0.00 0.00 41.96 38.84 2rnl s TYR 42 CO 0.80 -1.25 0.91 -0.59 -1.57 0.00 0.00 175.55 173.85 2rnl s PHE 43 N -2.96 0.12 0.00 2.71 -0.71 -1.16 -4.23 117.98 111.75 2rnl s PHE 43 Ca 0.61 -0.67 0.00 0.00 -1.04 0.00 0.00 56.93 55.83 2rnl s PHE 43 Cb -0.08 0.78 0.00 0.00 -1.21 0.00 0.00 43.02 42.51 2rnl s PHE 43 CO 0.41 -1.28 0.00 0.41 -1.34 0.00 0.00 175.22 173.42 2rnl n GLY 44 N -0.63 -0.02 0.20 1.99 0.00 -1.26 -3.34 105.19 102.14 2rnl n GLY 44 Ca -0.06 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 2rnl n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rnl n GLU 45 N 0.66 0.54 0.08 1.61 2.13 -1.26 -4.59 120.64 119.80 2rnl n GLU 45 Ca 0.00 0.21 -0.13 0.00 0.66 0.00 0.00 57.16 57.90 2rnl n GLU 45 Cb 0.00 -1.40 -0.05 0.00 0.27 0.00 0.00 31.44 30.25 2rnl n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rnl h ARG 46 N -0.65 0.34 -3.28 5.31 3.08 -1.87 -3.36 114.38 113.95 2rnl h ARG 46 Ca -0.60 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 58.98 2rnl h ARG 46 Cb 1.62 0.12 0.05 0.00 0.08 0.00 0.00 29.97 31.84 2rnl h ARG 46 CO -0.30 1.09 -0.21 0.00 -1.07 0.00 0.00 179.97 179.48 2rnl n GLY 48 N -1.23 -0.03 3.75 0.00 0.00 -1.26 -1.73 105.19 104.70 2rnl n GLY 48 Ca -0.05 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2rnl n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rnl s GLU 49 N -2.02 4.43 0.00 1.61 0.41 -1.26 -4.94 118.70 116.93 2rnl s GLU 49 Ca -0.01 0.94 0.00 0.00 -0.41 0.00 0.00 54.97 55.50 2rnl s GLU 49 Cb 0.00 -3.35 0.00 0.00 -1.78 0.00 0.00 34.13 29.00 2rnl s GLU 49 CO 0.02 0.34 0.24 0.36 -0.49 0.00 0.00 175.26 175.73