#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gk5 n SER 2 N 0.00 -0.32 -3.48 6.41 2.88 -1.26 -5.08 113.62 112.77 1gk5 n SER 2 Ca 0.00 -0.73 -0.29 0.00 -1.33 0.00 0.00 58.87 56.52 1gk5 n SER 2 Cb 0.00 0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 63.44 1gk5 n SER 2 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1gk5 s TYR 3 N 0.00 0.85 0.52 0.66 5.04 -1.26 -5.13 117.35 118.04 1gk5 s TYR 3 Ca 0.00 -1.72 0.01 0.00 -2.44 0.00 0.00 57.07 52.92 1gk5 s TYR 3 Cb 0.00 -1.01 0.02 0.00 0.35 0.00 0.00 41.96 41.33 1gk5 s TYR 3 CO 0.00 -0.82 0.74 -1.25 -1.34 0.00 0.00 175.55 172.88 1gk5 s PRO 4 N 0.96 2.66 0.16 4.97 0.04 -1.26 -5.12 135.00 137.42 1gk5 s PRO 4 Ca 0.19 -0.74 -0.24 0.00 0.04 0.00 0.00 61.00 60.25 1gk5 s PRO 4 Cb -0.22 -2.51 0.07 0.00 0.04 0.00 0.00 34.50 31.88 1gk5 s PRO 4 CO 0.00 -0.60 1.03 0.20 0.04 0.00 0.00 177.00 177.67 1gk5 s GLY 5 N -4.38 -0.04 0.23 0.56 0.00 -1.26 -5.17 107.32 97.26 1gk5 s GLY 5 Ca 0.55 -0.11 -0.06 0.00 0.00 0.00 0.00 44.72 45.10 1gk5 s GLY 5 CO 0.38 1.44 0.50 0.00 0.00 0.00 0.00 173.10 175.42 1gk5 s PRO 7 N -3.08 0.98 -0.32 0.00 0.04 -1.26 -4.99 135.00 126.37 1gk5 s PRO 7 Ca 0.44 0.85 0.08 0.00 0.04 0.00 0.00 61.00 62.41 1gk5 s PRO 7 Cb -0.11 -1.77 0.46 0.00 0.04 0.00 0.00 34.50 33.11 1gk5 s PRO 7 CO 0.26 -2.44 1.16 0.43 0.04 0.00 0.00 177.00 176.45 1gk5 n SER 8 N -4.02 4.53 -0.14 6.66 7.64 -1.26 -4.62 113.62 122.41 1gk5 n SER 8 Ca 0.07 -3.57 0.02 0.00 1.01 0.00 0.00 58.87 56.39 1gk5 n SER 8 Cb 0.55 -0.38 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1gk5 n SER 8 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1gk5 n SER 9 N -0.64 1.24 0.17 6.43 7.64 -1.26 -4.53 113.62 122.67 1gk5 n SER 9 Ca 0.39 -1.12 0.13 0.00 1.01 0.00 0.00 58.87 59.29 1gk5 n SER 9 Cb 0.89 0.06 0.46 0.00 -1.01 0.00 0.00 64.21 64.61 1gk5 n SER 9 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1gk5 h TYR 10 N 0.68 0.00 -3.08 1.43 -1.99 -2.01 -3.47 116.97 108.52 1gk5 h TYR 10 Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 1gk5 h TYR 10 Cb 0.15 0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.91 1gk5 h TYR 10 CO 0.00 0.00 -0.12 -3.47 -0.00 0.00 0.00 178.16 174.57 1gk5 n ASP 11 N -2.56 -2.45 -3.98 3.88 2.03 -1.26 -4.06 116.55 108.14 1gk5 n ASP 11 Ca 0.03 -0.10 -0.37 0.00 0.52 0.00 0.00 54.79 54.87 1gk5 n ASP 11 Cb 0.35 -1.18 0.01 0.00 -0.72 0.00 0.00 41.12 39.59 1gk5 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gk5 n GLY 12 N -1.31 -0.72 0.24 0.27 0.00 -1.26 -4.86 105.19 97.55 1gk5 n GLY 12 Ca -0.02 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 1gk5 n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gk5 h TYR 13 N -1.47 -0.56 -3.03 1.61 3.20 -1.99 -3.42 116.97 111.31 1gk5 h TYR 13 Ca -0.58 -0.01 -0.53 0.00 3.14 0.00 0.00 58.73 60.75 1gk5 h TYR 13 Cb 1.15 0.19 0.05 0.00 1.54 0.00 0.00 36.73 39.66 1gk5 h TYR 13 CO 0.29 -0.35 0.84 0.00 -1.64 0.00 0.00 178.16 177.30 1gk5 s LEU 15 N 0.58 2.44 -0.23 0.00 1.43 -1.24 -4.59 118.68 117.08 1gk5 s LEU 15 Ca 0.66 -1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.23 1gk5 s LEU 15 Cb -0.43 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1gk5 s LEU 15 CO 0.36 -0.59 0.23 0.59 0.23 0.00 0.00 176.35 177.18 1gk5 n ASN 16 N -0.88 -6.79 -3.58 2.29 3.02 -1.26 -3.54 115.26 104.52 1gk5 n ASN 16 Ca -0.05 0.51 -0.26 0.00 -0.03 0.00 0.00 54.58 54.75 1gk5 n ASN 16 Cb 0.67 -2.86 0.04 0.00 -0.61 0.00 0.00 39.78 37.02 1gk5 n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gk5 n GLY 17 N 0.62 -1.06 3.27 7.41 0.00 -1.26 -4.48 105.19 109.69 1gk5 n GLY 17 Ca -0.01 0.49 -0.44 0.00 0.00 0.00 0.00 46.02 46.06 1gk5 n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gk5 s GLY 18 N -3.38 2.15 -0.35 -0.02 0.00 -1.23 -4.34 107.32 100.15 1gk5 s GLY 18 Ca 0.40 -2.65 -0.19 0.00 0.00 0.00 0.00 44.72 42.29 1gk5 s GLY 18 CO 0.84 1.17 0.54 0.14 0.00 0.00 0.00 173.10 175.79 1gk5 s VAL 19 N 1.30 4.99 0.36 1.40 1.01 -1.16 -4.86 120.40 123.44 1gk5 s VAL 19 Ca 0.06 0.41 -0.27 0.00 0.00 0.00 0.00 61.98 62.18 1gk5 s VAL 19 Cb -0.26 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 1gk5 s VAL 19 CO 0.00 -0.23 1.21 0.00 0.00 0.00 0.00 175.10 176.08 1gk5 s MET 21 N -1.91 0.48 -0.34 0.00 0.00 -0.76 -4.90 119.30 111.87 1gk5 s MET 21 Ca 0.58 -0.52 -0.25 0.00 0.00 0.00 0.00 55.69 55.49 1gk5 s MET 21 Cb -0.58 -0.71 0.01 0.00 0.00 0.00 0.00 34.83 33.55 1gk5 s MET 21 CO 0.60 -1.11 0.89 -1.58 0.00 0.00 0.00 175.02 173.82 1gk5 s HIS 22 N 1.88 3.14 -0.26 4.11 2.46 -1.26 -3.21 115.29 122.15 1gk5 s HIS 22 Ca 0.13 0.84 -0.19 0.00 0.47 0.00 0.00 55.06 56.31 1gk5 s HIS 22 Cb -0.15 -3.47 -0.02 0.00 -0.13 0.00 0.00 32.58 28.81 1gk5 s HIS 22 CO -0.18 -0.71 0.57 0.42 -2.47 0.00 0.00 174.74 172.38 1gk5 s ILE 23 N 3.27 5.02 0.20 0.89 1.01 -1.23 -4.94 121.20 125.42 1gk5 s ILE 23 Ca 0.36 0.98 -0.02 0.00 0.00 0.00 0.00 60.65 61.98 1gk5 s ILE 23 Cb -0.13 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1gk5 s ILE 23 CO 0.15 0.04 1.53 -0.08 0.00 0.00 0.00 174.94 176.59 1gk5 h GLU 24 N 7.98 0.51 0.00 2.79 4.57 -1.95 -1.74 114.58 126.74 1gk5 h GLU 24 Ca -0.28 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 1gk5 h GLU 24 Cb 1.13 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1gk5 h GLU 24 CO 0.75 0.91 0.00 -1.13 -1.18 0.00 0.00 179.01 178.36 1gk5 n SER 25 N -3.96 0.00 -0.50 1.04 3.41 -1.26 -3.22 113.62 109.13 1gk5 n SER 25 Ca -0.03 0.27 0.44 0.00 -0.26 0.00 0.00 58.87 59.29 1gk5 n SER 25 Cb 0.59 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.31 1gk5 n SER 25 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gk5 h LEU 26 N 0.00 0.00 -1.53 1.04 -0.00 -2.01 -3.44 115.31 109.37 1gk5 h LEU 26 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.59 1gk5 h LEU 26 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 40.66 40.80 1gk5 h LEU 26 CO 0.00 0.00 -0.62 -0.67 -0.00 0.00 0.00 178.44 177.15 1gk5 n ASP 27 N -3.99 -2.81 -1.29 -0.43 -0.08 -0.66 -5.02 116.55 102.27 1gk5 n ASP 27 Ca 0.34 -0.50 -0.02 0.00 -1.51 0.00 0.00 54.79 53.10 1gk5 n ASP 27 Cb 1.63 -4.32 -0.01 0.00 2.34 0.00 0.00 41.12 40.76 1gk5 n ASP 27 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1gk5 n SER 28 N -2.66 0.00 -4.17 1.67 2.88 -1.20 -5.05 113.62 105.10 1gk5 n SER 28 Ca -0.19 -1.25 -0.33 0.00 -1.33 0.00 0.00 58.87 55.78 1gk5 n SER 28 Cb 0.62 0.18 -0.16 0.00 -0.75 0.00 0.00 64.21 64.10 1gk5 n SER 28 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1gk5 s TYR 29 N -2.12 2.71 0.09 0.66 5.04 -1.26 -3.50 117.35 118.96 1gk5 s TYR 29 Ca 0.04 -1.37 0.00 0.00 -2.44 0.00 0.00 57.07 53.31 1gk5 s TYR 29 Cb 0.00 -1.85 -0.04 0.00 0.35 0.00 0.00 41.96 40.42 1gk5 s TYR 29 CO 0.03 -0.64 -0.04 0.95 -1.34 0.00 0.00 175.55 174.52 1gk5 s THR 30 N 0.91 0.46 0.05 4.34 -4.23 -1.20 -5.06 115.64 110.92 1gk5 s THR 30 Ca -0.04 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 1gk5 s THR 30 Cb -0.15 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 1gk5 s THR 30 CO -0.04 -0.87 -0.12 0.00 -0.54 0.00 0.00 174.62 173.06 1gk5 s ASN 32 N -1.40 6.35 0.19 0.00 3.84 -1.00 -4.94 114.94 117.98 1gk5 s ASN 32 Ca -0.03 0.40 0.10 0.00 0.21 0.00 0.00 52.86 53.54 1gk5 s ASN 32 Cb -0.09 -2.17 -0.04 0.00 -0.55 0.00 0.00 41.25 38.40 1gk5 s ASN 32 CO 0.01 0.07 -0.14 0.00 -2.79 0.00 0.00 177.10 174.25 1gk5 s VAL 34 N -1.74 2.13 0.08 0.00 1.01 -1.26 -5.00 120.40 115.61 1gk5 s VAL 34 Ca 0.24 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 1gk5 s VAL 34 Cb -0.08 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 1gk5 s VAL 34 CO 0.14 0.00 1.22 -0.63 0.00 0.00 0.00 175.10 175.83 1gk5 s ILE 35 N -3.45 3.92 0.00 2.22 -1.09 -1.26 -2.89 121.20 118.65 1gk5 s ILE 35 Ca 0.63 1.39 0.00 0.00 -2.23 0.00 0.00 60.65 60.45 1gk5 s ILE 35 Cb -0.09 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1gk5 s ILE 35 CO 0.47 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 1gk5 n GLY 36 N 3.16 2.49 3.55 6.18 0.00 -1.26 -4.71 105.19 114.60 1gk5 n GLY 36 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1gk5 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gk5 s TYR 37 N -2.36 3.19 0.00 1.61 2.02 -1.14 0.18 117.35 120.85 1gk5 s TYR 37 Ca 0.00 -0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 1gk5 s TYR 37 Cb 0.00 -2.36 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 1gk5 s TYR 37 CO 0.00 -0.23 0.00 0.45 -1.57 0.00 0.00 175.55 174.20 1gk5 n SER 38 N 5.03 0.00 0.00 2.29 2.88 -0.53 -4.68 113.62 118.61 1gk5 n SER 38 Ca -0.14 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.50 1gk5 n SER 38 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1gk5 n SER 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gk5 n GLY 39 N 0.00 -0.95 3.53 0.46 0.00 -1.26 0.15 105.19 107.11 1gk5 n GLY 39 Ca 0.00 -1.66 -0.51 0.00 0.00 0.00 0.00 46.02 43.85 1gk5 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gk5 n ASP 40 N -1.11 2.48 -3.02 1.61 8.00 -1.26 0.20 116.55 123.46 1gk5 n ASP 40 Ca 0.00 0.57 -0.20 0.00 0.71 0.00 0.00 54.79 55.87 1gk5 n ASP 40 Cb 0.00 -1.29 0.06 0.00 -0.02 0.00 0.00 41.12 39.87 1gk5 n ASP 40 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gk5 n ARG 41 N 7.65 -6.33 -4.21 -1.24 1.74 -1.26 -2.79 116.66 110.22 1gk5 n ARG 41 Ca 0.35 0.71 -0.38 0.00 -0.77 0.00 0.00 57.85 57.76 1gk5 n ARG 41 Cb 0.25 -5.34 -0.05 0.00 -1.02 0.00 0.00 32.46 26.30 1gk5 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gk5 n GLU 43 N -4.80 0.62 -2.49 0.00 0.00 0.01 -4.48 120.64 109.50 1gk5 n GLU 43 Ca -0.23 0.08 -0.40 0.00 0.00 0.00 0.00 57.16 56.60 1gk5 n GLU 43 Cb 0.64 -1.76 -0.03 0.00 0.00 0.00 0.00 31.44 30.29 1gk5 n GLU 43 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1gk5 s HIS 44 N -3.29 2.35 -0.22 -1.84 2.46 0.39 -4.91 115.29 110.23 1gk5 s HIS 44 Ca -0.03 -0.37 -0.29 0.00 0.47 0.00 0.00 55.06 54.84 1gk5 s HIS 44 Cb 0.10 -4.60 -0.01 0.00 -0.13 0.00 0.00 32.58 27.94 1gk5 s HIS 44 CO 0.82 -1.99 1.32 0.00 -2.47 0.00 0.00 174.74 172.41 1gk5 s ALA 45 N 5.81 3.51 -0.36 1.58 0.00 -1.26 -1.45 121.76 129.59 1gk5 s ALA 45 Ca 0.45 0.33 0.13 0.00 0.00 0.00 0.00 51.96 52.87 1gk5 s ALA 45 Cb -0.04 -3.71 0.39 0.00 0.00 0.00 0.00 23.12 19.76 1gk5 s ALA 45 CO 0.01 -1.49 0.88 -3.47 0.00 0.00 0.00 175.76 171.69 1gk5 n ASP 46 N 7.20 0.60 -0.12 0.00 2.03 0.47 -4.85 116.55 121.88 1gk5 n ASP 46 Ca 0.15 -2.94 -0.08 0.00 0.52 0.00 0.00 54.79 52.45 1gk5 n ASP 46 Cb 0.45 -0.27 0.09 0.00 -0.72 0.00 0.00 41.12 40.67 1gk5 n ASP 46 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1gk5 h LEU 47 N 2.94 0.85 -0.61 -2.67 5.85 -1.84 -3.38 115.31 116.45 1gk5 h LEU 47 Ca -0.01 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1gk5 h LEU 47 Cb 1.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1gk5 h LEU 47 CO 0.43 0.99 -0.02 -0.11 -0.34 0.00 0.00 178.44 179.39 1gk5 n LEU 48 N -4.14 -0.08 0.00 2.25 0.00 -1.26 -4.89 117.00 108.88 1gk5 n LEU 48 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 56.01 55.77 1gk5 n LEU 48 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.81 1gk5 n LEU 48 CO 0.44 0.63 0.00 0.00 0.00 0.00 0.00 177.39 178.46