#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gk5 s SER 2 N 0.00 5.37 0.07 1.20 1.04 -1.26 -5.07 113.70 115.06 1gk5 s SER 2 Ca 0.00 -2.56 0.09 0.00 0.48 0.00 0.00 55.95 53.96 1gk5 s SER 2 Cb 0.00 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 1gk5 s SER 2 CO 0.00 -0.45 -0.25 -0.47 0.98 0.00 0.00 173.24 173.05 1gk5 s TYR 3 N 0.37 2.36 0.30 5.02 5.04 -1.26 -5.01 117.35 124.17 1gk5 s TYR 3 Ca 0.14 -0.38 0.15 0.00 -2.44 0.00 0.00 57.07 54.54 1gk5 s TYR 3 Cb -0.21 -1.37 1.05 0.00 0.35 0.00 0.00 41.96 41.79 1gk5 s TYR 3 CO -0.04 0.20 1.31 -2.30 -1.34 0.00 0.00 175.55 173.39 1gk5 n PRO 4 N 1.50 -0.05 0.00 4.97 -0.02 -1.26 -4.89 135.00 135.25 1gk5 n PRO 4 Ca -0.17 1.16 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1gk5 n PRO 4 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1gk5 n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gk5 n GLY 5 N -1.25 -1.64 3.35 -1.23 0.00 -1.26 -5.01 105.19 98.16 1gk5 n GLY 5 Ca 0.30 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 1gk5 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk5 s PRO 7 N -3.81 3.29 -0.31 0.00 0.04 -1.26 -5.02 135.00 127.94 1gk5 s PRO 7 Ca 0.61 0.29 0.07 0.00 0.04 0.00 0.00 61.00 62.01 1gk5 s PRO 7 Cb -0.17 -2.24 0.46 0.00 0.04 0.00 0.00 34.50 32.58 1gk5 s PRO 7 CO 0.66 -0.53 1.18 0.45 0.04 0.00 0.00 177.00 178.80 1gk5 n SER 8 N -2.55 4.90 0.00 6.66 2.88 -1.26 -4.55 113.62 119.69 1gk5 n SER 8 Ca 0.04 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.83 1gk5 n SER 8 Cb 0.56 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1gk5 n SER 8 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1gk5 n SER 9 N -0.68 0.50 0.21 -3.46 3.41 -1.26 -4.70 113.62 107.63 1gk5 n SER 9 Ca 0.43 -0.96 0.09 0.00 -0.26 0.00 0.00 58.87 58.18 1gk5 n SER 9 Cb 0.94 0.03 0.33 0.00 -0.26 0.00 0.00 64.21 65.25 1gk5 n SER 9 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1gk5 h TYR 10 N 0.00 0.00 -3.31 7.33 -1.99 -2.02 -3.48 116.97 113.49 1gk5 h TYR 10 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1gk5 h TYR 10 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1gk5 h TYR 10 CO 0.00 0.23 -0.08 -3.47 -0.00 0.00 0.00 178.16 174.84 1gk5 n ASP 11 N -3.28 -2.83 -3.89 3.88 2.03 -1.26 -4.46 116.55 106.74 1gk5 n ASP 11 Ca 0.01 0.09 -0.32 0.00 0.52 0.00 0.00 54.79 55.09 1gk5 n ASP 11 Cb 0.50 -1.61 0.01 0.00 -0.72 0.00 0.00 41.12 39.30 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 -0.40 -1.13 0.32 0.27 0.00 -1.26 -4.88 105.19 98.10 1gk5 n GLY 12 Ca 0.01 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.07 -0.73 -3.31 1.61 3.20 -1.97 -3.41 116.97 111.30 1gk5 h TYR 13 Ca -0.66 -0.02 -0.59 0.00 3.14 0.00 0.00 58.73 60.60 1gk5 h TYR 13 Cb 1.39 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 39.82 1gk5 h TYR 13 CO 0.27 -0.45 0.39 0.00 -1.64 0.00 0.00 178.16 176.73 1gk5 s LEU 15 N 2.37 2.96 -0.30 0.00 1.43 -1.22 -4.36 118.68 119.56 1gk5 s LEU 15 Ca 0.36 -1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.04 1gk5 s LEU 15 Cb -0.16 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.80 1gk5 s LEU 15 CO 0.10 -0.64 0.42 0.59 0.23 0.00 0.00 176.35 177.05 1gk5 n ASN 16 N -1.29 -6.14 -3.62 2.29 3.02 -1.26 -3.03 115.26 105.22 1gk5 n ASN 16 Ca -0.03 0.15 -0.29 0.00 -0.03 0.00 0.00 54.58 54.37 1gk5 n ASN 16 Cb 0.65 -2.08 0.05 0.00 -0.61 0.00 0.00 39.78 37.78 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 0.32 -1.03 3.30 7.41 0.00 -1.26 -4.60 105.19 109.32 1gk5 n GLY 17 Ca -0.04 0.48 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.44 2.03 -0.44 -0.02 0.00 -1.17 -4.36 107.32 99.92 1gk5 s GLY 18 Ca 0.46 -2.29 -0.19 0.00 0.00 0.00 0.00 44.72 42.70 1gk5 s GLY 18 CO 0.85 1.06 0.55 0.14 0.00 0.00 0.00 173.10 175.70 1gk5 s VAL 19 N 1.50 4.95 0.61 1.40 1.01 -1.25 -4.77 120.40 123.85 1gk5 s VAL 19 Ca 0.04 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 1gk5 s VAL 19 Cb -0.25 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1gk5 s VAL 19 CO 0.03 -0.54 1.26 0.00 0.00 0.00 0.00 175.10 175.85 1gk5 s MET 21 N -3.12 0.58 -0.37 0.00 -1.94 -1.06 -4.93 119.30 108.47 1gk5 s MET 21 Ca 0.78 -0.03 -0.25 0.00 -1.71 0.00 0.00 55.69 54.48 1gk5 s MET 21 Cb -0.40 -0.14 0.01 0.00 2.01 0.00 0.00 34.83 36.31 1gk5 s MET 21 CO 0.44 -1.10 0.90 -1.58 -0.01 0.00 0.00 175.02 173.66 1gk5 s HIS 22 N 2.26 3.09 -0.06 -0.03 2.46 -1.26 -2.75 115.29 118.99 1gk5 s HIS 22 Ca 0.12 0.73 -0.23 0.00 0.47 0.00 0.00 55.06 56.16 1gk5 s HIS 22 Cb -0.10 -3.59 -0.04 0.00 -0.13 0.00 0.00 32.58 28.72 1gk5 s HIS 22 CO -0.19 -0.80 0.68 0.42 -2.47 0.00 0.00 174.74 172.37 1gk5 s ILE 23 N 3.39 5.04 0.05 0.89 1.01 -1.09 -4.97 121.20 125.52 1gk5 s ILE 23 Ca 0.37 1.40 -0.16 0.00 0.00 0.00 0.00 60.65 62.25 1gk5 s ILE 23 Cb -0.12 -4.02 -0.20 0.00 0.01 0.00 0.00 42.46 38.13 1gk5 s ILE 23 CO 0.18 0.27 1.20 -0.08 0.00 0.00 0.00 174.94 176.52 1gk5 h GLU 24 N 6.64 0.59 0.00 2.79 4.57 -1.95 -2.58 114.58 124.63 1gk5 h GLU 24 Ca -0.41 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.22 1gk5 h GLU 24 Cb 1.20 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1gk5 h GLU 24 CO 0.75 1.17 0.00 0.43 -1.18 0.00 0.00 179.01 180.18 1gk5 n SER 25 N -4.09 0.00 -0.01 1.04 7.64 -1.26 -2.97 113.62 113.97 1gk5 n SER 25 Ca -0.09 0.47 0.19 0.00 1.01 0.00 0.00 58.87 60.45 1gk5 n SER 25 Cb 0.71 -0.12 0.39 0.00 -1.01 0.00 0.00 64.21 64.18 1gk5 n SER 25 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1gk5 h LEU 26 N 0.00 0.00 -0.64 -3.43 -0.00 -2.00 -3.43 115.31 105.80 1gk5 h LEU 26 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.43 1gk5 h LEU 26 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1gk5 h LEU 26 CO 0.00 0.00 -0.71 0.47 -0.00 0.00 0.00 178.44 178.20 1gk5 n ASP 27 N -3.10 -5.23 -2.97 -0.43 8.00 -0.98 -4.96 116.55 106.90 1gk5 n ASP 27 Ca 0.14 -0.65 -0.17 0.00 0.71 0.00 0.00 54.79 54.82 1gk5 n ASP 27 Cb 1.21 -4.17 -0.07 0.00 -0.02 0.00 0.00 41.12 38.08 1gk5 n ASP 27 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1gk5 n SER 28 N -2.80 -0.57 -4.37 -2.24 2.88 -1.21 -5.03 113.62 100.28 1gk5 n SER 28 Ca 0.02 -2.91 -0.33 0.00 -1.33 0.00 0.00 58.87 54.31 1gk5 n SER 28 Cb 0.54 1.45 -0.14 0.00 -0.75 0.00 0.00 64.21 65.31 1gk5 n SER 28 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1gk5 s TYR 29 N -3.17 2.84 0.23 0.66 2.02 -1.26 -2.68 117.35 115.98 1gk5 s TYR 29 Ca 0.34 -0.68 0.08 0.00 -0.37 0.00 0.00 57.07 56.45 1gk5 s TYR 29 Cb 0.02 -1.88 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 1gk5 s TYR 29 CO 0.24 -0.25 -0.12 0.95 -1.57 0.00 0.00 175.55 174.80 1gk5 s THR 30 N 0.48 1.78 0.01 -0.71 -4.23 -1.11 -5.04 115.64 106.82 1gk5 s THR 30 Ca -0.09 -2.21 0.06 0.00 -1.18 0.00 0.00 61.69 58.28 1gk5 s THR 30 Cb -0.16 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 1gk5 s THR 30 CO 0.04 -0.49 -0.19 0.00 -0.54 0.00 0.00 174.62 173.44 1gk5 n ASN 32 N 2.24 4.70 -4.87 0.00 2.85 -1.10 -4.98 115.26 114.09 1gk5 n ASN 32 Ca -0.16 -3.11 -0.30 0.00 -0.11 0.00 0.00 54.58 50.90 1gk5 n ASN 32 Cb 0.54 -1.17 -0.02 0.00 1.24 0.00 0.00 39.78 40.37 1gk5 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gk5 s VAL 34 N -2.66 2.09 0.21 0.00 1.01 -1.26 -5.01 120.40 114.78 1gk5 s VAL 34 Ca 0.53 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1gk5 s VAL 34 Cb -0.10 -2.97 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1gk5 s VAL 34 CO 0.38 0.00 1.22 -0.63 0.00 0.00 0.00 175.10 176.07 1gk5 s ILE 35 N -3.53 3.41 0.00 2.22 -1.09 -1.26 -3.19 121.20 117.76 1gk5 s ILE 35 Ca 0.65 1.23 0.00 0.00 -2.23 0.00 0.00 60.65 60.29 1gk5 s ILE 35 Cb -0.09 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1gk5 s ILE 35 CO 0.48 0.22 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 1gk5 n GLY 36 N 1.96 2.21 3.75 6.18 0.00 -1.26 -4.95 105.19 113.07 1gk5 n GLY 36 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.11 3.30 0.00 1.61 2.02 -1.19 0.20 117.35 121.18 1gk5 s TYR 37 Ca 0.00 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 1gk5 s TYR 37 Cb 0.00 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1gk5 s TYR 37 CO 0.00 0.56 0.00 -1.13 -1.57 0.00 0.00 175.55 173.41 1gk5 n SER 38 N 2.07 0.00 -4.14 2.29 3.41 -1.25 -4.86 113.62 111.14 1gk5 n SER 38 Ca -0.19 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.06 1gk5 n SER 38 Cb 0.54 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 1gk5 n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gk5 n GLY 39 N -0.31 -3.81 3.60 5.00 0.00 -1.25 -4.30 105.19 104.12 1gk5 n GLY 39 Ca 0.00 -0.64 -0.64 0.00 0.00 0.00 0.00 46.02 44.74 1gk5 n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gk5 n ASP 40 N 2.40 0.86 -3.59 1.61 2.03 -1.26 0.22 116.55 118.82 1gk5 n ASP 40 Ca 0.02 1.15 -0.26 0.00 0.52 0.00 0.00 54.79 56.22 1gk5 n ASP 40 Cb 0.53 -0.87 0.03 0.00 -0.72 0.00 0.00 41.12 40.10 1gk5 n ASP 40 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1gk5 n ARG 41 N 3.24 -5.62 -3.14 -0.67 1.74 -1.26 -0.85 116.66 110.10 1gk5 n ARG 41 Ca 0.27 0.69 -0.17 0.00 -0.77 0.00 0.00 57.85 57.87 1gk5 n ARG 41 Cb -0.02 -5.59 -0.02 0.00 -1.02 0.00 0.00 32.46 25.82 1gk5 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gk5 h GLU 43 N -0.48 0.09 -6.89 0.00 4.57 -0.87 -3.40 114.58 107.61 1gk5 h GLU 43 Ca -0.29 -0.06 -0.47 0.00 -1.18 0.00 0.00 59.36 57.36 1gk5 h GLU 43 Cb 1.20 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 1gk5 h GLU 43 CO 0.39 0.67 0.26 -1.58 -1.18 0.00 0.00 179.01 177.58 1gk5 s HIS 44 N -3.79 3.46 -0.09 0.92 2.46 -1.26 -4.97 115.29 112.01 1gk5 s HIS 44 Ca -0.16 1.55 -0.02 0.00 0.47 0.00 0.00 55.06 56.90 1gk5 s HIS 44 Cb 0.01 -2.78 -0.03 0.00 -0.13 0.00 0.00 32.58 29.65 1gk5 s HIS 44 CO 0.70 0.07 -0.00 0.00 -2.47 0.00 0.00 174.74 173.04 1gk5 s ALA 45 N -1.91 3.25 -0.41 1.58 0.00 -1.26 -3.77 121.76 119.23 1gk5 s ALA 45 Ca 0.55 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.81 1gk5 s ALA 45 Cb -0.13 -1.49 0.41 0.00 0.00 0.00 0.00 23.12 21.91 1gk5 s ALA 45 CO 0.18 0.54 0.98 -3.47 0.00 0.00 0.00 175.76 173.98 1gk5 n ASP 46 N 2.31 3.02 -4.75 0.00 2.03 0.54 -4.99 116.55 114.70 1gk5 n ASP 46 Ca -0.18 -3.27 -0.38 0.00 0.52 0.00 0.00 54.79 51.47 1gk5 n ASP 46 Cb 0.53 -0.52 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 1gk5 n ASP 46 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1gk5 s LEU 47 N -3.23 4.35 -0.07 -2.67 0.20 -1.25 -4.62 118.68 111.39 1gk5 s LEU 47 Ca 0.40 0.95 0.12 0.00 0.69 0.00 0.00 54.13 56.29 1gk5 s LEU 47 Cb 0.39 -2.75 0.22 0.00 -0.43 0.00 0.00 46.19 43.62 1gk5 s LEU 47 CO -0.09 0.09 1.11 0.00 -0.29 0.00 0.00 176.35 177.17 1gk5 n LEU 48 N 3.06 1.33 0.00 -0.68 -0.00 -1.26 -5.16 117.00 114.29 1gk5 n LEU 48 Ca -0.08 -2.27 0.00 0.00 -0.00 0.00 0.00 56.01 53.66 1gk5 n LEU 48 Cb 0.52 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1gk5 n LEU 48 CO 0.42 0.61 0.00 0.00 -0.00 0.00 0.00 177.39 178.42