#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kg1 s ARG 2 N 0.00 1.00 0.00 -1.24 3.00 -1.26 -5.15 118.95 115.30 1kg1 s ARG 2 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 55.73 54.47 1kg1 s ARG 2 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 34.95 34.16 1kg1 s ARG 2 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 175.30 175.44 1kg1 s ARG 4 N -2.00 3.38 -0.26 0.00 6.06 -1.00 -4.97 118.95 120.16 1kg1 s ARG 4 Ca 0.00 -3.24 -0.42 0.00 -2.50 0.00 0.00 55.73 49.57 1kg1 s ARG 4 Cb 0.00 -4.03 -0.18 0.00 0.06 0.00 0.00 34.95 30.80 1kg1 s ARG 4 CO 0.00 -1.26 1.54 2.48 -2.50 0.00 0.00 175.30 175.56 1kg1 n TYR 5 N 2.43 1.67 -4.30 5.12 4.11 -1.26 -4.40 117.16 120.54 1kg1 n TYR 5 Ca 0.21 0.83 -0.16 0.00 -0.00 0.00 0.00 57.90 58.79 1kg1 n TYR 5 Cb 0.37 -2.31 -0.10 0.00 -0.00 0.00 0.00 39.34 37.30 1kg1 n TYR 5 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1kg1 s THR 6 N 2.39 0.81 -0.17 -3.48 2.01 0.50 -4.93 115.64 112.76 1kg1 s THR 6 Ca 0.97 -2.01 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 1kg1 s THR 6 Cb -1.23 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 1kg1 s THR 6 CO 0.67 -0.31 0.25 -0.76 -0.69 0.00 0.00 174.62 173.78 1kg1 s LEU 7 N -3.26 4.23 0.13 4.42 1.02 -1.26 0.01 118.68 123.97 1kg1 s LEU 7 Ca 0.29 0.42 -0.02 0.00 0.02 0.00 0.00 54.13 54.84 1kg1 s LEU 7 Cb 0.06 -2.29 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 1kg1 s LEU 7 CO 0.08 0.12 0.07 0.00 0.02 0.00 0.00 176.35 176.64 1kg1 h ASP 10 N 0.80 0.00 0.00 0.00 2.03 -1.78 -3.38 116.42 114.09 1kg1 h ASP 10 Ca -0.50 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 55.65 1kg1 h ASP 10 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1kg1 h ASP 10 CO 0.61 0.07 0.00 0.61 -1.03 0.00 0.00 179.24 179.50 1kg1 n GLY 11 N 1.29 2.87 2.57 7.15 0.00 -1.26 -4.85 105.19 112.96 1kg1 n GLY 11 Ca 0.03 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1kg1 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kg1 n ALA 12 N 0.00 -0.09 -1.95 4.61 0.00 -1.26 -5.04 120.51 116.78 1kg1 n ALA 12 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 53.44 51.41 1kg1 n ALA 12 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1kg1 n ALA 12 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1kg1 n LEU 13 N 1.88 0.00 0.00 0.00 7.94 -1.26 -5.17 117.00 120.39 1kg1 n LEU 13 Ca 0.15 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.90 1kg1 n LEU 13 Cb 0.58 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.48 1kg1 n LEU 13 CO 0.07 0.00 0.06 0.29 -1.11 0.00 0.00 177.39 176.70 1kg1 n LYS 14 N 0.00 0.55 -3.65 1.96 4.76 -1.26 -5.00 118.16 115.52 1kg1 n LYS 14 Ca 0.00 -2.81 -0.37 0.00 -2.87 0.00 0.00 58.31 52.25 1kg1 n LYS 14 Cb 0.00 2.53 -0.11 0.00 -1.84 0.00 0.00 35.03 35.61 1kg1 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kg1 s ALA 15 N -2.93 3.42 0.43 7.82 0.00 -1.26 -2.39 121.76 126.86 1kg1 s ALA 15 Ca 0.31 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1kg1 s ALA 15 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1kg1 s ALA 15 CO 0.22 -0.50 0.03 0.54 0.00 0.00 0.00 175.76 176.05 1kg1 s VAL 16 N 1.66 1.35 0.23 0.00 0.11 0.27 -4.91 120.40 119.12 1kg1 s VAL 16 Ca 0.07 -2.00 -0.06 0.00 -2.93 0.00 0.00 61.98 57.06 1kg1 s VAL 16 Cb -0.16 -2.58 -0.06 0.00 -1.53 0.00 0.00 36.38 32.06 1kg1 s VAL 16 CO 0.08 0.00 0.49 -0.55 -3.33 0.00 0.00 175.10 171.79 1kg1 s SER 17 N -3.71 6.50 0.08 3.54 0.15 -1.26 -0.34 113.70 118.66 1kg1 s SER 17 Ca 0.24 0.70 -0.10 0.00 0.70 0.00 0.00 55.95 57.49 1kg1 s SER 17 Cb 0.06 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.24 1kg1 s SER 17 CO 0.12 -0.09 0.22 0.00 1.20 0.00 0.00 173.24 174.70 1kg1 s ALA 18 N -1.89 -0.36 -0.65 5.45 0.00 0.10 -4.90 121.76 119.51 1kg1 s ALA 18 Ca 0.44 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.89 1kg1 s ALA 18 Cb -0.11 0.46 0.17 0.00 0.00 0.00 0.00 23.12 23.64 1kg1 s ALA 18 CO 0.26 -0.49 0.50 0.00 0.00 0.00 0.00 175.76 176.03 1kg1 s LEU 20 N 0.11 2.74 0.69 0.00 1.02 -1.26 -4.94 118.68 117.04 1kg1 s LEU 20 Ca 0.16 -0.75 0.01 0.00 0.02 0.00 0.00 54.13 53.57 1kg1 s LEU 20 Cb -0.19 -1.41 0.12 0.00 0.02 0.00 0.00 46.19 44.74 1kg1 s LEU 20 CO -0.04 0.09 0.95 -1.00 0.02 0.00 0.00 176.35 176.37 1kg1 s HIS 21 N -1.84 1.59 0.40 0.29 3.76 -1.26 -2.38 115.29 115.84 1kg1 s HIS 21 Ca 0.24 -0.34 0.13 0.00 -0.15 0.00 0.00 55.06 54.94 1kg1 s HIS 21 Cb -0.08 -2.86 0.83 0.00 1.11 0.00 0.00 32.58 31.58 1kg1 s HIS 21 CO 0.13 -1.59 1.90 0.93 -0.85 0.00 0.00 174.74 175.26 1kg1 h GLU 22 N -0.39 0.04 0.00 1.40 5.08 -1.97 -0.46 114.58 118.27 1kg1 h GLU 22 Ca -0.35 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1kg1 h GLU 22 Cb 1.27 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1kg1 h GLU 22 CO 0.41 0.31 0.00 0.43 -1.00 0.00 0.00 179.01 179.15 1kg1 n SER 23 N -4.20 0.00 -4.27 1.42 7.64 -1.26 -4.76 113.62 108.18 1kg1 n SER 23 Ca -0.02 -1.16 -0.21 0.00 1.01 0.00 0.00 58.87 58.50 1kg1 n SER 23 Cb 0.33 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 1kg1 n SER 23 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1kg1 s GLU 24 N -2.00 1.11 -0.14 1.43 2.56 -0.18 -5.15 118.70 116.32 1kg1 s GLU 24 Ca 0.37 -1.25 -0.12 0.00 0.00 0.00 0.00 54.97 53.97 1kg1 s GLU 24 Cb 0.17 -1.15 0.04 0.00 2.00 0.00 0.00 34.13 35.19 1kg1 s GLU 24 CO 0.29 0.24 0.38 0.45 -0.56 0.00 0.00 175.26 176.05 1kg1 s SER 25 N -2.32 -0.41 0.42 -1.70 0.15 -1.26 -4.52 113.70 104.06 1kg1 s SER 25 Ca 0.09 0.77 0.07 0.00 0.70 0.00 0.00 55.95 57.59 1kg1 s SER 25 Cb -0.07 0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1kg1 s SER 25 CO 0.04 -0.14 0.21 0.00 1.20 0.00 0.00 173.24 174.55 1kg1 s LEU 27 N -3.95 2.75 0.35 0.00 2.96 -1.26 -4.90 118.68 114.64 1kg1 s LEU 27 Ca 0.41 -0.25 -0.26 0.00 -0.22 0.00 0.00 54.13 53.81 1kg1 s LEU 27 Cb 0.03 -2.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.06 1kg1 s LEU 27 CO 0.23 -4.05 1.01 -0.69 -1.32 0.00 0.00 176.35 171.53 1kg1 s VAL 28 N 15.13 3.90 0.00 1.68 1.01 -1.26 -0.20 120.40 140.66 1kg1 s VAL 28 Ca 0.89 1.56 0.00 0.00 0.00 0.00 0.00 61.98 64.42 1kg1 s VAL 28 Cb -0.11 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1kg1 s VAL 28 CO 0.10 0.10 0.00 -0.81 0.00 0.00 0.00 175.10 174.49 1kg1 n PRO 29 N 0.34 -0.37 -3.78 2.72 -0.04 -1.26 -4.90 135.00 127.71 1kg1 n PRO 29 Ca 0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1kg1 n PRO 29 Cb 0.49 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.88 1kg1 n PRO 29 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1kg1 s GLY 30 N -2.60 -0.06 -0.29 0.55 0.00 -0.77 -5.01 107.32 99.13 1kg1 s GLY 30 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 44.72 44.40 1kg1 s GLY 30 CO 0.00 -0.43 0.16 0.99 0.00 0.00 0.00 173.10 173.83 1kg1 s ASP 31 N -2.39 5.70 -0.29 1.64 1.11 -1.26 -1.55 116.67 119.64 1kg1 s ASP 31 Ca -0.01 -0.28 -0.18 0.00 0.18 0.00 0.00 52.55 52.25 1kg1 s ASP 31 Cb 0.01 -2.05 -0.02 0.00 1.07 0.00 0.00 42.92 41.93 1kg1 s ASP 31 CO -0.07 -0.12 0.54 0.00 1.18 0.00 0.00 175.17 176.70 1kg1 s ARG 34 N 0.55 0.81 1.09 0.00 3.52 0.14 -0.22 118.95 124.84 1kg1 s ARG 34 Ca 0.28 -1.01 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1kg1 s ARG 34 Cb -0.16 -2.11 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 1kg1 s ARG 34 CO 0.12 -0.90 0.00 0.41 -0.81 0.00 0.00 175.30 174.12 1kg1 n GLY 35 N 4.84 0.31 2.53 8.12 0.00 -1.26 0.60 105.19 120.32 1kg1 n GLY 35 Ca -0.04 0.40 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 1kg1 n GLY 35 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1kg1 n LYS 36 N 0.00 2.36 -3.66 1.61 2.85 -1.26 -5.02 118.16 115.05 1kg1 n LYS 36 Ca 0.00 -3.82 -0.05 0.00 -1.05 0.00 0.00 58.31 53.39 1kg1 n LYS 36 Cb 0.00 -1.79 -0.07 0.00 -0.65 0.00 0.00 35.03 32.52 1kg1 n LYS 36 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1kg1 s SER 37 N -3.49 -0.76 0.04 -5.58 0.01 0.20 -5.16 113.70 98.96 1kg1 s SER 37 Ca 0.37 1.30 -0.04 0.00 1.31 0.00 0.00 55.95 58.90 1kg1 s SER 37 Cb 0.40 1.68 -0.05 0.00 0.21 0.00 0.00 66.02 68.27 1kg1 s SER 37 CO -0.04 -0.22 0.26 0.00 0.41 0.00 0.00 173.24 173.64 1kg1 s ARG 38 N 2.44 3.52 0.09 12.44 1.70 -1.26 0.25 118.95 138.13 1kg1 s ARG 38 Ca -0.06 -0.21 -0.00 0.00 -0.47 0.00 0.00 55.73 54.99 1kg1 s ARG 38 Cb -0.11 -3.03 -0.04 0.00 -0.57 0.00 0.00 34.95 31.20 1kg1 s ARG 38 CO -0.16 0.61 -0.00 -1.17 -1.08 0.00 0.00 175.30 173.49 1kg1 s LEU 39 N -2.13 2.24 -0.15 -1.89 0.20 0.25 -4.97 118.68 112.24 1kg1 s LEU 39 Ca 0.32 -1.08 -0.02 0.00 0.69 0.00 0.00 54.13 54.03 1kg1 s LEU 39 Cb -0.13 0.18 0.05 0.00 -0.43 0.00 0.00 46.19 45.86 1kg1 s LEU 39 CO 0.21 -0.62 0.02 -0.89 -0.29 0.00 0.00 176.35 174.78 1kg1 s THR 40 N -3.91 0.46 0.23 3.68 2.01 -1.26 0.36 115.64 117.21 1kg1 s THR 40 Ca 0.14 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.74 1kg1 s THR 40 Cb 0.07 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 1kg1 s THR 40 CO -0.05 -0.02 0.44 -1.48 -0.69 0.00 0.00 174.62 172.83 1kg1 s LEU 41 N 1.91 0.41 -0.22 4.42 0.05 -0.60 -4.97 118.68 119.67 1kg1 s LEU 41 Ca 0.02 -0.93 -0.10 0.00 0.05 0.00 0.00 54.13 53.16 1kg1 s LEU 41 Cb -0.15 1.65 -0.05 0.00 -2.05 0.00 0.00 46.19 45.59 1kg1 s LEU 41 CO -0.07 -1.10 0.14 0.00 -0.55 0.00 0.00 176.35 174.78 1kg1 s SER 43 N 0.75 -1.47 0.23 0.00 1.04 -1.26 -5.03 113.70 107.96 1kg1 s SER 43 Ca 0.07 0.52 0.06 0.00 0.48 0.00 0.00 55.95 57.09 1kg1 s SER 43 Cb -0.12 2.08 -0.03 0.00 0.10 0.00 0.00 66.02 68.05 1kg1 s SER 43 CO 0.02 -0.28 0.26 -0.31 0.98 0.00 0.00 173.24 173.90 1kg1 s TYR 44 N 2.84 3.26 -0.42 5.02 2.02 -1.26 0.20 117.35 129.02 1kg1 s TYR 44 Ca 0.15 -0.06 0.08 0.00 -0.37 0.00 0.00 57.07 56.88 1kg1 s TYR 44 Cb -0.13 -1.49 0.26 0.00 -0.40 0.00 0.00 41.96 40.21 1kg1 s TYR 44 CO -0.23 0.49 0.68 0.41 -1.57 0.00 0.00 175.55 175.32 1kg1 n GLY 45 N -1.16 2.03 2.83 0.71 0.00 -0.86 -4.62 105.19 104.12 1kg1 n GLY 45 Ca -0.08 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1kg1 n GLY 45 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1kg1 n GLU 46 N 1.30 0.00 -2.27 1.61 0.28 -1.26 -3.37 120.64 116.93 1kg1 n GLU 46 Ca 0.17 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.15 1kg1 n GLU 46 Cb 0.58 -0.85 0.00 0.00 1.43 0.00 0.00 31.44 32.60 1kg1 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1kg1 n GLY 47 N 1.65 -2.59 0.00 -1.84 0.00 -1.26 -4.79 105.19 96.36 1kg1 n GLY 47 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1kg1 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kg1 n GLY 48 N 0.08 2.06 2.92 -0.02 0.00 -1.25 -5.02 105.19 103.96 1kg1 n GLY 48 Ca 0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1kg1 n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kg1 s ASN 49 N -0.50 0.32 0.21 1.61 3.84 -1.22 -5.02 114.94 114.18 1kg1 s ASN 49 Ca 0.00 0.25 0.06 0.00 0.21 0.00 0.00 52.86 53.37 1kg1 s ASN 49 Cb 0.00 1.05 0.62 0.00 -0.55 0.00 0.00 41.25 42.38 1kg1 s ASN 49 CO 0.00 -0.30 1.01 0.61 -2.79 0.00 0.00 177.10 175.64 1kg1 n GLY 50 N 5.36 -0.74 3.75 1.21 0.00 -1.26 -3.22 105.19 110.29 1kg1 n GLY 50 Ca -0.04 0.59 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 1kg1 n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1kg1 s PHE 51 N -5.34 3.11 0.02 1.61 5.36 -1.26 -2.04 117.98 119.44 1kg1 s PHE 51 Ca -0.07 0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1kg1 s PHE 51 Cb 0.20 -1.57 -0.02 0.00 -0.34 0.00 0.00 43.02 41.29 1kg1 s PHE 51 CO 0.50 0.51 -0.00 -1.14 -1.46 0.00 0.00 175.22 173.63 1kg1 s GLN 52 N -2.47 0.36 0.12 10.12 0.74 0.54 -4.58 119.66 124.50 1kg1 s GLN 52 Ca 0.28 -0.63 0.09 0.00 0.05 0.00 0.00 55.36 55.15 1kg1 s GLN 52 Cb -0.12 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 1kg1 s GLN 52 CO 0.21 -0.07 -0.18 0.00 -0.55 0.00 0.00 175.29 174.70 1kg1 s PRO 54 N -2.20 0.42 0.22 0.00 0.04 -1.26 -4.89 135.00 127.34 1kg1 s PRO 54 Ca 0.18 0.01 -0.31 0.00 0.04 0.00 0.00 61.00 60.92 1kg1 s PRO 54 Cb -0.10 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 1kg1 s PRO 54 CO 0.10 -2.63 1.60 0.99 0.04 0.00 0.00 177.00 177.10 1kg1 s THR 55 N -3.38 2.32 0.00 1.26 2.01 -1.26 -1.31 115.64 115.29 1kg1 s THR 55 Ca 0.68 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1kg1 s THR 55 Cb -0.11 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1kg1 s THR 55 CO 0.54 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 1kg1 n GLY 56 N 3.16 1.17 3.55 4.40 0.00 -1.26 -5.03 105.19 111.17 1kg1 n GLY 56 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1kg1 n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kg1 s TYR 57 N -2.63 2.54 -0.17 1.61 2.02 -0.43 -4.65 117.35 115.64 1kg1 s TYR 57 Ca 0.00 -0.26 -0.07 0.00 -0.37 0.00 0.00 57.07 56.37 1kg1 s TYR 57 Cb 0.00 -1.18 0.07 0.00 -0.40 0.00 0.00 41.96 40.45 1kg1 s TYR 57 CO 0.00 0.58 0.37 1.03 -1.57 0.00 0.00 175.55 175.96 1kg1 s ARG 58 N -3.18 0.31 0.17 -0.62 3.00 0.69 -4.60 118.95 114.73 1kg1 s ARG 58 Ca 0.27 0.83 -0.22 0.00 0.00 0.00 0.00 55.73 56.62 1kg1 s ARG 58 Cb -0.07 0.08 -0.13 0.00 0.00 0.00 0.00 34.95 34.82 1kg1 s ARG 58 CO 0.16 -0.21 0.38 0.94 0.00 0.00 0.00 175.30 176.57 1kg1 n GLN 59 N 4.78 0.00 0.00 3.54 7.27 -1.26 0.31 117.38 132.02 1kg1 n GLN 59 Ca -0.16 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.06 1kg1 n GLN 59 Cb 0.52 -0.79 0.93 0.00 2.41 0.00 0.00 30.24 33.32 1kg1 n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13