#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 1.22 0.34 1.20 1.04 -1.26 -5.14 113.70 111.09 1gk5 s SER 2 Ca 0.00 -0.19 -0.21 0.00 0.48 0.00 0.00 55.95 56.03 1gk5 s SER 2 Cb 0.00 -0.28 -0.10 0.00 0.10 0.00 0.00 66.02 65.75 1gk5 s SER 2 CO 0.00 0.08 0.86 -0.31 0.98 0.00 0.00 173.24 174.86 1gk5 s TYR 3 N 0.08 3.51 0.29 5.02 2.02 -1.26 -4.93 117.35 122.08 1gk5 s TYR 3 Ca -0.01 1.54 0.11 0.00 -0.37 0.00 0.00 57.07 58.34 1gk5 s TYR 3 Cb -0.07 -2.77 0.94 0.00 -0.40 0.00 0.00 41.96 39.66 1gk5 s TYR 3 CO 0.00 0.11 1.35 -2.30 -1.57 0.00 0.00 175.55 173.15 1gk5 n PRO 4 N 0.05 -0.06 0.00 -1.71 -0.02 -1.26 -4.88 135.00 127.12 1gk5 n PRO 4 Ca 0.03 1.23 0.00 0.00 -2.02 0.00 0.00 63.50 62.74 1gk5 n PRO 4 Cb 0.52 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.32 0.72 3.72 -1.23 0.00 -1.26 -5.08 105.19 100.75 1gk5 n GLY 5 Ca 0.27 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1gk5 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk5 n PRO 7 N -0.28 -0.67 -1.92 0.00 -0.04 -1.26 -4.95 135.00 125.86 1gk5 n PRO 7 Ca 0.07 -0.15 -0.25 0.00 -0.04 0.00 0.00 63.50 63.14 1gk5 n PRO 7 Cb 0.41 -2.12 0.03 0.00 -0.04 0.00 0.00 33.50 31.78 1gk5 n PRO 7 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gk5 n SER 8 N -3.08 5.16 0.00 3.54 3.41 -1.26 -4.52 113.62 116.88 1gk5 n SER 8 Ca 0.08 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.94 1gk5 n SER 8 Cb 0.53 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1gk5 n SER 8 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1gk5 n SER 9 N -0.74 0.68 0.16 4.04 3.41 -1.26 -4.64 113.62 115.26 1gk5 n SER 9 Ca 0.46 -0.94 0.13 0.00 -0.26 0.00 0.00 58.87 58.26 1gk5 n SER 9 Cb 0.93 0.07 0.45 0.00 -0.26 0.00 0.00 64.21 65.41 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 -3.32 7.33 -1.99 -2.00 -3.47 116.97 113.52 1gk5 h TYR 10 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1gk5 h TYR 10 Cb 0.11 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.86 1gk5 h TYR 10 CO 0.00 0.00 -0.06 -3.47 -0.00 0.00 0.00 178.16 174.63 1gk5 n ASP 11 N -2.49 -2.69 -4.05 3.88 -0.08 -1.26 -4.14 116.55 105.73 1gk5 n ASP 11 Ca 0.03 -0.06 -0.41 0.00 -1.51 0.00 0.00 54.79 52.84 1gk5 n ASP 11 Cb 0.35 -1.32 0.02 0.00 2.34 0.00 0.00 41.12 42.51 1gk5 n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1gk5 n GLY 12 N -1.31 -0.71 0.26 0.27 0.00 -1.26 -4.85 105.19 97.59 1gk5 n GLY 12 Ca -0.01 0.28 -0.10 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 -1.88 -0.64 -2.89 1.61 3.20 -1.98 -3.41 116.97 110.97 1gk5 h TYR 13 Ca -0.62 -0.01 -0.52 0.00 3.14 0.00 0.00 58.73 60.72 1gk5 h TYR 13 Cb 1.21 0.22 0.04 0.00 1.54 0.00 0.00 36.73 39.75 1gk5 h TYR 13 CO 0.32 -0.38 0.86 0.00 -1.64 0.00 0.00 178.16 177.32 1gk5 s LEU 15 N 0.98 2.80 -0.17 0.00 1.43 -1.24 -4.55 118.68 117.93 1gk5 s LEU 15 Ca 0.69 -1.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1gk5 s LEU 15 Cb -0.43 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1gk5 s LEU 15 CO 0.32 -0.42 0.06 0.59 0.23 0.00 0.00 176.35 177.13 1gk5 n ASN 16 N -0.92 -7.21 -3.46 2.29 3.02 -1.26 -3.90 115.26 103.82 1gk5 n ASN 16 Ca -0.05 0.83 -0.21 0.00 -0.03 0.00 0.00 54.58 55.12 1gk5 n ASN 16 Cb 0.66 -3.35 0.04 0.00 -0.61 0.00 0.00 39.78 36.53 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 0.91 -1.12 3.37 7.41 0.00 -1.26 -4.53 105.19 109.98 1gk5 n GLY 17 Ca 0.00 0.51 -0.45 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.31 2.09 -0.25 -0.02 0.00 -1.25 -4.41 107.32 100.18 1gk5 s GLY 18 Ca 0.34 -2.70 -0.16 0.00 0.00 0.00 0.00 44.72 42.20 1gk5 s GLY 18 CO 0.81 1.56 0.43 0.14 0.00 0.00 0.00 173.10 176.04 1gk5 s VAL 19 N 1.87 5.14 0.63 1.40 1.01 -1.24 -4.91 120.40 124.30 1gk5 s VAL 19 Ca 0.18 0.73 -0.18 0.00 0.00 0.00 0.00 61.98 62.71 1gk5 s VAL 19 Cb -0.16 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1gk5 s VAL 19 CO -0.02 0.16 0.89 0.00 0.00 0.00 0.00 175.10 176.13 1gk5 s MET 21 N -2.82 0.43 -0.26 0.00 0.00 -1.15 -4.81 119.30 110.69 1gk5 s MET 21 Ca 0.75 0.24 -0.25 0.00 0.00 0.00 0.00 55.69 56.43 1gk5 s MET 21 Cb -0.40 0.15 -0.00 0.00 0.00 0.00 0.00 34.83 34.57 1gk5 s MET 21 CO 0.48 -0.74 0.83 -1.58 0.00 0.00 0.00 175.02 174.01 1gk5 s HIS 22 N 2.64 3.28 -0.06 4.11 2.46 -1.26 -3.32 115.29 123.13 1gk5 s HIS 22 Ca 0.17 1.07 -0.20 0.00 0.47 0.00 0.00 55.06 56.57 1gk5 s HIS 22 Cb -0.05 -3.12 -0.04 0.00 -0.13 0.00 0.00 32.58 29.24 1gk5 s HIS 22 CO -0.21 -0.45 0.57 0.42 -2.47 0.00 0.00 174.74 172.60 1gk5 s ILE 23 N 2.91 5.06 0.04 0.89 1.01 -1.14 -4.97 121.20 124.99 1gk5 s ILE 23 Ca 0.35 1.18 -0.16 0.00 0.00 0.00 0.00 60.65 62.02 1gk5 s ILE 23 Cb -0.15 -3.91 -0.32 0.00 0.01 0.00 0.00 42.46 38.09 1gk5 s ILE 23 CO 0.09 0.34 1.06 -0.08 0.00 0.00 0.00 174.94 176.35 1gk5 h GLU 24 N 6.33 0.59 0.00 2.79 4.57 -1.96 -2.82 114.58 124.08 1gk5 h GLU 24 Ca -0.43 -0.86 0.00 0.00 -1.18 0.00 0.00 59.36 56.89 1gk5 h GLU 24 Cb 1.19 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1gk5 h GLU 24 CO 0.73 1.40 0.00 0.43 -1.18 0.00 0.00 179.01 180.39 1gk5 n SER 25 N -3.79 0.00 -0.09 1.04 7.64 -1.26 -3.01 113.62 114.16 1gk5 n SER 25 Ca -0.15 0.53 0.25 0.00 1.01 0.00 0.00 58.87 60.51 1gk5 n SER 25 Cb 1.02 -0.18 0.54 0.00 -1.01 0.00 0.00 64.21 64.58 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 -0.95 -3.43 -0.00 -2.01 -3.43 115.31 105.49 1gk5 h LEU 26 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.88 57.45 1gk5 h LEU 26 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 40.73 1gk5 h LEU 26 CO 0.00 0.00 -0.72 0.47 -0.00 0.00 0.00 178.44 178.19 1gk5 n ASP 27 N -3.36 -5.52 -2.79 -0.43 8.00 -1.07 -4.97 116.55 106.42 1gk5 n ASP 27 Ca 0.17 -0.64 -0.15 0.00 0.71 0.00 0.00 54.79 54.88 1gk5 n ASP 27 Cb 1.19 -4.59 -0.06 0.00 -0.02 0.00 0.00 41.12 37.64 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 -2.96 -0.63 -4.23 -2.24 2.88 -1.22 -5.04 113.62 100.19 1gk5 n SER 28 Ca 0.00 -2.75 -0.34 0.00 -1.33 0.00 0.00 58.87 54.46 1gk5 n SER 28 Cb 0.55 1.42 -0.15 0.00 -0.75 0.00 0.00 64.21 65.29 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 -3.11 2.85 0.18 0.66 2.02 -1.26 -2.88 117.35 115.81 1gk5 s TYR 29 Ca 0.31 -1.21 0.03 0.00 -0.37 0.00 0.00 57.07 55.84 1gk5 s TYR 29 Cb 0.01 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 1gk5 s TYR 29 CO 0.22 -0.62 -0.04 0.95 -1.57 0.00 0.00 175.55 174.50 1gk5 s THR 30 N 1.23 0.97 0.05 -0.71 -4.23 -1.21 -5.05 115.64 106.68 1gk5 s THR 30 Ca 0.03 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.57 1gk5 s THR 30 Cb -0.14 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 1gk5 s THR 30 CO -0.06 -0.52 -0.10 0.00 -0.54 0.00 0.00 174.62 173.40 1gk5 s ASN 32 N -1.75 6.37 0.31 0.00 2.47 -0.81 -4.94 114.94 116.59 1gk5 s ASN 32 Ca 0.19 -1.83 -0.11 0.00 0.42 0.00 0.00 52.86 51.53 1gk5 s ASN 32 Cb -0.11 -2.29 -0.07 0.00 -1.45 0.00 0.00 41.25 37.33 1gk5 s ASN 32 CO 0.10 -0.97 0.66 0.00 -3.72 0.00 0.00 177.10 173.17 1gk5 s VAL 34 N -2.04 2.14 0.20 0.00 1.01 -1.26 -5.01 120.40 115.43 1gk5 s VAL 34 Ca 0.50 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1gk5 s VAL 34 Cb -0.11 -2.98 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 1gk5 s VAL 34 CO 0.24 0.00 1.18 -0.63 0.00 0.00 0.00 175.10 175.89 1gk5 s ILE 35 N -3.43 3.58 0.00 2.22 -1.09 -1.26 -2.97 121.20 118.25 1gk5 s ILE 35 Ca 0.63 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 60.41 1gk5 s ILE 35 Cb -0.10 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1gk5 s ILE 35 CO 0.47 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 1gk5 n GLY 36 N 2.04 2.90 3.55 6.18 0.00 -1.26 -4.89 105.19 113.71 1gk5 n GLY 36 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.64 3.19 0.00 1.61 2.02 -1.16 0.22 117.35 120.59 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 -1.13 -1.57 0.00 0.00 175.55 172.62 1gk5 n SER 38 N 5.04 0.00 -0.01 2.29 3.41 -0.19 -4.73 113.62 119.43 1gk5 n SER 38 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1gk5 n SER 38 Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.00 -2.17 3.56 5.00 0.00 -1.26 0.68 105.19 111.00 1gk5 n GLY 39 Ca 0.00 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 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 0.11 2.89 -2.95 1.61 -0.08 -1.26 -1.51 116.55 115.36 1gk5 n ASP 40 Ca 0.00 0.13 -0.14 0.00 -1.51 0.00 0.00 54.79 53.27 1gk5 n ASP 40 Cb 0.00 -1.51 0.07 0.00 2.34 0.00 0.00 41.12 42.03 1gk5 n ASP 40 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1gk5 n ARG 41 N 8.71 -5.37 -2.99 -0.67 1.74 -1.26 -2.19 116.66 114.64 1gk5 n ARG 41 Ca 0.33 0.68 -0.11 0.00 -0.77 0.00 0.00 57.85 57.99 1gk5 n ARG 41 Cb 0.42 -5.21 -0.02 0.00 -1.02 0.00 0.00 32.46 26.64 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 -0.23 0.26 -5.72 0.00 4.81 -0.47 -3.38 114.58 109.85 1gk5 h GLU 43 Ca -0.16 -0.35 -0.36 0.00 -0.13 0.00 0.00 59.36 58.36 1gk5 h GLU 43 Cb 1.11 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1gk5 h GLU 43 CO 0.24 1.10 1.07 -1.58 -0.73 0.00 0.00 179.01 179.11 1gk5 s HIS 44 N -2.78 1.44 0.16 0.92 2.46 0.21 -4.84 115.29 112.86 1gk5 s HIS 44 Ca -0.15 1.17 -0.30 0.00 0.47 0.00 0.00 55.06 56.26 1gk5 s HIS 44 Cb 0.01 -3.83 -0.07 0.00 -0.13 0.00 0.00 32.58 28.56 1gk5 s HIS 44 CO 0.79 -2.12 1.14 0.00 -2.47 0.00 0.00 174.74 172.07 1gk5 s ALA 45 N 11.13 3.38 -0.35 1.58 0.00 -1.26 -1.02 121.76 135.22 1gk5 s ALA 45 Ca 0.80 0.85 0.15 0.00 0.00 0.00 0.00 51.96 53.76 1gk5 s ALA 45 Cb -0.13 -3.38 0.42 0.00 0.00 0.00 0.00 23.12 20.03 1gk5 s ALA 45 CO 0.15 -0.28 0.94 -3.47 0.00 0.00 0.00 175.76 173.10 1gk5 n ASP 46 N 2.66 0.75 -0.93 0.00 2.03 0.59 -4.93 116.55 116.73 1gk5 n ASP 46 Ca 0.04 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.54 1gk5 n ASP 46 Cb 0.46 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1gk5 n ASP 46 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1gk5 n LEU 47 N -0.01 2.37 -2.52 -2.67 0.00 -1.21 -4.55 117.00 108.41 1gk5 n LEU 47 Ca 0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 56.01 54.90 1gk5 n LEU 47 Cb 0.78 -0.44 -0.03 0.00 0.00 0.00 0.00 43.42 43.73 1gk5 n LEU 47 CO 0.21 0.41 -0.56 0.18 0.00 0.00 0.00 177.39 177.62 1gk5 n LEU 48 N 0.50 -6.29 0.00 -1.96 4.32 -1.26 -5.09 117.00 107.22 1gk5 n LEU 48 Ca 0.00 1.84 0.00 0.00 -0.02 0.00 0.00 56.01 57.83 1gk5 n LEU 48 Cb 0.41 -3.09 0.00 0.00 -1.62 0.00 0.00 43.42 39.12 1gk5 n LEU 48 CO 0.00 -3.42 0.00 0.00 -1.22 0.00 0.00 177.39 172.75