#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnl n SER 2 N 0.00 -0.65 -4.46 1.61 7.64 -1.26 -4.44 113.62 112.06 2rnl n SER 2 Ca 0.00 1.24 -0.29 0.00 1.01 0.00 0.00 58.87 60.84 2rnl n SER 2 Cb 0.00 -0.21 -0.12 0.00 -1.01 0.00 0.00 64.21 62.87 2rnl n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2rnl s SER 3 N -4.93 3.70 0.83 6.43 1.04 -1.26 -5.13 113.70 114.39 2rnl s SER 3 Ca -0.07 -0.67 -0.10 0.00 0.48 0.00 0.00 55.95 55.58 2rnl s SER 3 Cb 0.07 -0.43 0.09 0.00 0.10 0.00 0.00 66.02 65.86 2rnl s SER 3 CO 0.38 0.16 1.11 -0.83 0.98 0.00 0.00 173.24 175.05 2rnl s GLY 4 N -2.30 1.68 -0.38 7.32 0.00 -1.26 -4.95 107.32 107.43 2rnl s GLY 4 Ca 0.18 0.40 -0.28 0.00 0.00 0.00 0.00 44.72 45.02 2rnl s GLY 4 CO 0.10 0.77 1.06 -0.56 0.00 0.00 0.00 173.10 174.47 2rnl s SER 5 N -3.10 6.78 -0.01 1.64 0.01 -1.26 -5.00 113.70 112.76 2rnl s SER 5 Ca 0.63 0.76 -0.30 0.00 1.31 0.00 0.00 55.95 58.35 2rnl s SER 5 Cb -0.19 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 2rnl s SER 5 CO 0.57 -0.99 1.28 -0.44 0.41 0.00 0.00 173.24 174.06 2rnl s SER 6 N 1.96 6.98 0.00 2.44 0.01 -1.26 -4.15 113.70 119.68 2rnl s SER 6 Ca 0.45 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.67 2rnl s SER 6 Cb -0.11 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2rnl s SER 6 CO 0.21 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2rnl n GLY 7 N 3.44 1.73 3.51 3.44 0.00 -1.26 -4.73 105.19 111.33 2rnl n GLY 7 Ca 0.11 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 3.61 0.76 1.61 -0.14 -1.26 -5.00 119.74 119.32 2rnl s LYS 8 Ca 0.00 -1.42 -0.04 0.00 -1.36 0.00 0.00 55.97 53.14 2rnl s LYS 8 Cb 0.00 -5.18 0.13 0.00 -1.68 0.00 0.00 37.83 31.10 2rnl s LYS 8 CO 0.00 -2.02 1.05 -1.59 -0.76 0.00 0.00 175.35 172.03 2rnl s LYS 9 N 3.97 1.55 0.48 1.68 -2.85 -1.26 -4.70 119.74 118.61 2rnl s LYS 9 Ca 0.41 -0.88 -0.24 0.00 -1.00 0.00 0.00 55.97 54.26 2rnl s LYS 9 Cb -0.02 -2.23 -0.07 0.00 -2.06 0.00 0.00 37.83 33.45 2rnl s LYS 9 CO -0.09 -1.59 1.40 0.09 0.10 0.00 0.00 175.35 175.26 2rnl n ASN 10 N -3.01 3.07 0.17 0.03 4.13 -1.26 -4.83 115.26 113.56 2rnl n ASN 10 Ca 0.14 1.07 0.01 0.00 1.68 0.00 0.00 54.58 57.48 2rnl n ASN 10 Cb 0.60 -1.59 0.29 0.00 -1.54 0.00 0.00 39.78 37.54 2rnl n ASN 10 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2rnl h PRO 11 N 1.99 0.00 -1.05 3.52 0.13 -1.96 -2.00 132.00 132.63 2rnl h PRO 11 Ca -0.51 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 64.93 2rnl h PRO 11 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 2rnl h PRO 11 CO 0.60 0.47 1.02 0.00 -0.23 0.00 0.00 178.00 179.85 2rnl n ASN 13 N -3.58 4.74 0.03 0.00 3.02 -1.17 -2.31 115.26 115.98 2rnl n ASN 13 Ca 0.23 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.77 2rnl n ASN 13 Cb 1.35 0.69 -0.00 0.00 -0.61 0.00 0.00 39.78 41.20 2rnl n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rnl h ALA 14 N 0.00 -0.77 0.00 5.41 0.00 -0.33 -3.35 119.26 120.21 2rnl h ALA 14 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2rnl h ALA 14 Cb 0.52 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2rnl h ALA 14 CO 0.00 -0.77 -1.47 0.39 0.00 0.00 0.00 179.25 177.40 2rnl n GLU 15 N -2.23 1.74 -0.10 0.00 -0.58 -0.77 -4.54 120.64 114.15 2rnl n GLU 15 Ca -0.01 0.02 0.01 0.00 -0.42 0.00 0.00 57.16 56.76 2rnl n GLU 15 Cb 0.03 -1.17 0.05 0.00 -0.57 0.00 0.00 31.44 29.78 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 -2.47 0.24 -0.27 -0.32 3.01 0.20 -4.29 117.46 113.57 2rnl n PHE 16 Ca -0.13 -0.09 0.09 0.00 1.01 0.00 0.00 57.45 58.33 2rnl n PHE 16 Cb 0.69 -0.11 0.23 0.00 -0.01 0.00 0.00 39.48 40.28 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 0.56 0.21 0.00 -1.08 4.15 -1.48 0.11 115.11 117.59 2rnl h GLN 17 Ca 0.00 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.18 2rnl h GLN 17 Cb 0.54 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 2rnl h GLN 17 CO 0.05 0.14 -1.14 -2.95 -1.93 0.00 0.00 178.83 173.00 2rnl h ASN 18 N 0.21 0.00 -0.73 -0.69 7.08 -1.82 -3.36 115.58 116.28 2rnl h ASN 18 Ca 0.48 0.00 0.11 0.00 -3.08 0.00 0.00 56.30 53.81 2rnl h ASN 18 Cb 0.89 0.00 -0.11 0.00 -2.08 0.00 0.00 38.32 37.02 2rnl h ASN 18 CO -0.61 1.00 -0.30 0.33 -2.08 0.00 0.00 177.43 175.77 2rnl n PHE 19 N -3.29 -0.01 -3.07 4.14 7.35 0.39 -2.64 117.46 120.33 2rnl n PHE 19 Ca -0.03 0.90 -0.45 0.00 -0.76 0.00 0.00 57.45 57.11 2rnl n PHE 19 Cb 0.96 -0.75 -0.02 0.00 0.35 0.00 0.00 39.48 40.02 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 5.48 0.00 -3.19 0.00 2.04 -1.47 -3.41 117.51 116.96 2rnl h ILE 21 Ca 0.12 -0.03 -0.57 0.00 1.00 0.00 0.00 64.86 65.38 2rnl h ILE 21 Cb 1.03 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.71 2rnl h ILE 21 CO 0.99 0.00 -0.76 -1.00 0.00 0.00 0.00 178.15 177.38 2rnl s HIS 22 N -5.46 1.55 0.00 1.37 3.76 -1.08 -5.04 115.29 110.40 2rnl s HIS 22 Ca -0.17 -1.53 0.00 0.00 -0.15 0.00 0.00 55.06 53.21 2rnl s HIS 22 Cb 0.02 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.17 2rnl s HIS 22 CO 0.50 -0.82 0.00 0.41 -0.85 0.00 0.00 174.74 173.99 2rnl n GLY 23 N 4.89 2.27 3.67 -2.22 0.00 -1.26 -4.56 105.19 107.98 2rnl n GLY 23 Ca -0.04 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.99 4.30 0.04 1.61 2.56 -1.08 -4.82 118.70 119.32 2rnl s GLU 24 Ca 0.00 0.96 -0.09 0.00 0.00 0.00 0.00 54.97 55.84 2rnl s GLU 24 Cb 0.00 -3.56 -0.05 0.00 2.00 0.00 0.00 34.13 32.51 2rnl s GLU 24 CO 0.00 -0.28 0.34 0.00 -0.56 0.00 0.00 175.26 174.75 2rnl s LYS 26 N -1.76 0.16 -0.05 0.00 2.36 -1.01 -4.97 119.74 114.47 2rnl s LYS 26 Ca 0.29 0.54 -0.30 0.00 -2.55 0.00 0.00 55.97 53.96 2rnl s LYS 26 Cb -0.14 -0.45 -0.02 0.00 -1.05 0.00 0.00 37.83 36.16 2rnl s LYS 26 CO 0.16 -0.43 1.03 -0.47 1.55 0.00 0.00 175.35 177.20 2rnl s TYR 27 N 2.38 3.53 -0.24 4.03 5.04 -1.26 -3.66 117.35 127.17 2rnl s TYR 27 Ca 0.04 1.57 -0.13 0.00 -2.44 0.00 0.00 57.07 56.11 2rnl s TYR 27 Cb -0.13 -3.20 -0.04 0.00 0.35 0.00 0.00 41.96 38.93 2rnl s TYR 27 CO -0.10 -0.33 0.28 0.42 -1.34 0.00 0.00 175.55 174.48 2rnl s ILE 28 N 1.63 5.27 -0.09 3.14 -1.09 -0.62 -4.99 121.20 124.45 2rnl s ILE 28 Ca 0.51 0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 59.30 2rnl s ILE 28 Cb -0.21 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 2rnl s ILE 28 CO 0.23 0.28 -0.09 -0.33 -1.23 0.00 0.00 174.94 173.79 2rnl h GLU 29 N 7.65 0.00 -0.01 2.79 5.08 -1.96 -1.20 114.58 126.93 2rnl h GLU 29 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2rnl h GLU 29 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2rnl h GLU 29 CO 0.66 0.00 0.61 1.12 -1.00 0.00 0.00 179.01 180.40 2rnl h HIS 30 N -0.67 0.00 0.00 4.33 2.07 -1.98 0.85 115.15 119.75 2rnl h HIS 30 Ca 0.00 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.39 2rnl h HIS 30 Cb 0.25 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.20 2rnl h HIS 30 CO -0.11 0.00 -1.90 1.28 -3.07 0.00 0.00 177.93 174.14 2rnl n LEU 31 N -2.74 0.00 -3.16 6.12 7.99 -1.26 -5.01 117.00 118.94 2rnl n LEU 31 Ca -0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.79 2rnl n LEU 31 Cb 0.64 0.17 0.07 0.00 -0.11 0.00 0.00 43.42 44.19 2rnl n LEU 31 CO 0.08 0.17 0.19 -0.62 -1.51 0.00 0.00 177.39 175.71 2rnl n GLU 32 N -2.30 -6.70 -4.04 3.23 1.02 0.30 -5.01 120.64 107.14 2rnl n GLU 32 Ca -0.13 0.72 -0.09 0.00 -0.02 0.00 0.00 57.16 57.64 2rnl n GLU 32 Cb 0.69 -5.42 -0.09 0.00 -0.02 0.00 0.00 31.44 26.60 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 -3.28 0.37 -0.07 0.62 0.00 -0.86 -5.03 121.76 113.51 2rnl s ALA 33 Ca 0.42 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2rnl s ALA 33 Cb -0.19 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 2rnl s ALA 33 CO 0.63 -0.52 -0.11 0.08 0.00 0.00 0.00 175.76 175.84 2rnl s VAL 34 N -3.97 3.36 0.04 0.00 1.01 -1.26 -1.59 120.40 117.98 2rnl s VAL 34 Ca 0.16 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2rnl s VAL 34 Cb 0.06 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2rnl s VAL 34 CO -0.03 0.58 0.08 0.28 0.00 0.00 0.00 175.10 176.01 2rnl s THR 35 N -0.58 0.13 -0.09 3.92 -1.32 -1.24 -5.01 115.64 111.46 2rnl s THR 35 Ca 0.08 -1.10 0.01 0.00 -1.21 0.00 0.00 61.69 59.47 2rnl s THR 35 Cb -0.12 -0.86 0.02 0.00 -1.51 0.00 0.00 72.50 70.03 2rnl s THR 35 CO 0.02 -0.61 -0.11 0.00 -2.21 0.00 0.00 174.62 171.71 2rnl s LYS 37 N 1.13 4.25 -0.11 0.00 -0.14 0.10 -4.52 119.74 120.45 2rnl s LYS 37 Ca -0.05 1.16 0.03 0.00 -1.36 0.00 0.00 55.97 55.74 2rnl s LYS 37 Cb -0.14 -2.25 -0.00 0.00 -1.68 0.00 0.00 37.83 33.75 2rnl s LYS 37 CO -0.02 -0.01 -0.20 0.00 -0.76 0.00 0.00 175.35 174.35 2rnl s GLN 39 N 0.37 0.95 0.43 0.00 -1.52 -1.26 -4.69 119.66 113.94 2rnl s GLN 39 Ca -0.16 1.06 0.30 0.00 -1.95 0.00 0.00 55.36 54.61 2rnl s GLN 39 Cb -0.17 -1.76 1.43 0.00 -0.22 0.00 0.00 33.01 32.29 2rnl s GLN 39 CO 0.07 -2.52 1.61 0.37 -0.25 0.00 0.00 175.29 174.57 2rnl h GLN 40 N -1.76 0.06 -0.14 2.91 4.15 -2.01 0.83 115.11 119.16 2rnl h GLN 40 Ca -0.49 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.81 2rnl h GLN 40 Cb 1.28 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2rnl h GLN 40 CO 0.50 0.04 -0.37 0.93 -1.93 0.00 0.00 178.83 178.00 2rnl h GLU 41 N 0.07 0.50 -7.17 1.69 4.39 -1.90 -3.45 114.58 108.70 2rnl h GLU 41 Ca 0.84 -0.35 -0.46 0.00 0.34 0.00 0.00 59.36 59.73 2rnl h GLU 41 Cb 2.59 0.05 0.09 0.00 -0.10 0.00 0.00 28.75 31.38 2rnl h GLU 41 CO -0.46 0.97 0.13 0.71 -1.16 0.00 0.00 179.01 179.20 2rnl s TYR 42 N -3.91 1.81 0.15 4.33 2.02 0.29 -4.22 117.35 117.82 2rnl s TYR 42 Ca -0.13 -0.14 -0.25 0.00 -0.37 0.00 0.00 57.07 56.19 2rnl s TYR 42 Cb 0.06 -3.10 0.07 0.00 -0.40 0.00 0.00 41.96 38.59 2rnl s TYR 42 CO 0.81 -1.70 0.98 -0.59 -1.57 0.00 0.00 175.55 173.48 2rnl s PHE 43 N -3.19 -0.09 0.00 2.71 -0.71 -1.21 -4.24 117.98 111.25 2rnl s PHE 43 Ca 0.66 -0.22 0.00 0.00 -1.04 0.00 0.00 56.93 56.32 2rnl s PHE 43 Cb -0.06 0.65 0.00 0.00 -1.21 0.00 0.00 43.02 42.40 2rnl s PHE 43 CO 0.45 -0.83 0.00 0.41 -1.34 0.00 0.00 175.22 173.91 2rnl n GLY 44 N -0.50 0.35 0.16 1.99 0.00 -1.26 -3.62 105.19 102.31 2rnl n GLY 44 Ca -0.06 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 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 2.73 0.20 0.13 1.61 2.13 -1.26 -4.64 120.64 121.54 2rnl n GLU 45 Ca 0.00 0.08 0.02 0.00 0.66 0.00 0.00 57.16 57.91 2rnl n GLU 45 Cb 0.00 -0.81 0.36 0.00 0.27 0.00 0.00 31.44 31.25 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 -0.37 0.18 -4.17 5.31 3.08 -1.82 -3.33 114.38 113.26 2rnl h ARG 46 Ca 0.00 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 2rnl h ARG 46 Cb 0.37 -0.02 0.10 0.00 0.08 0.00 0.00 29.97 30.51 2rnl h ARG 46 CO 0.00 0.41 -0.46 0.00 -1.07 0.00 0.00 179.97 178.86 2rnl n GLY 48 N -1.10 -1.03 3.88 0.00 0.00 -1.26 -2.62 105.19 103.06 2rnl n GLY 48 Ca -0.16 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.64 3.50 0.00 1.61 0.41 -1.26 -4.90 118.70 115.42 2rnl s GLU 49 Ca -0.06 -0.13 0.01 0.00 -0.41 0.00 0.00 54.97 54.38 2rnl s GLU 49 Cb 0.08 -3.14 0.01 0.00 -1.78 0.00 0.00 34.13 29.30 2rnl s GLU 49 CO 0.83 0.71 0.54 0.36 -0.49 0.00 0.00 175.26 177.21