#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 3.85 0.96 -1.24 3.00 -1.26 -5.02 118.95 119.24 1kg1 s ARG 2 Ca 0.00 0.80 -0.13 0.00 0.00 0.00 0.00 55.73 56.40 1kg1 s ARG 2 Cb 0.00 -2.19 0.03 0.00 0.00 0.00 0.00 34.95 32.80 1kg1 s ARG 2 CO 0.00 -0.27 0.34 0.00 0.00 0.00 0.00 175.30 175.37 1kg1 s ARG 4 N -3.56 2.25 -0.39 0.00 3.52 -1.01 -4.97 118.95 114.79 1kg1 s ARG 4 Ca 0.56 -2.09 -0.37 0.00 -0.13 0.00 0.00 55.73 53.69 1kg1 s ARG 4 Cb -0.21 -3.66 -0.13 0.00 -1.56 0.00 0.00 34.95 29.39 1kg1 s ARG 4 CO 0.68 -1.12 2.18 0.66 -0.81 0.00 0.00 175.30 176.89 1kg1 n TYR 5 N 4.18 1.49 -4.16 5.12 4.02 -1.26 -4.19 117.16 122.35 1kg1 n TYR 5 Ca 0.01 0.40 -0.23 0.00 -0.01 0.00 0.00 57.90 58.07 1kg1 n TYR 5 Cb 0.40 -2.47 -0.07 0.00 -0.02 0.00 0.00 39.34 37.18 1kg1 n TYR 5 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1kg1 s THR 6 N 7.00 3.04 -0.43 -0.72 2.01 -0.17 -4.88 115.64 121.49 1kg1 s THR 6 Ca 1.12 -1.76 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 1kg1 s THR 6 Cb -1.02 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 68.59 1kg1 s THR 6 CO 0.53 -0.21 0.32 -0.76 -0.69 0.00 0.00 174.62 173.81 1kg1 s LEU 7 N -3.80 5.24 0.27 4.42 1.43 -1.26 0.37 118.68 125.34 1kg1 s LEU 7 Ca 0.36 -1.05 0.05 0.00 -1.03 0.00 0.00 54.13 52.47 1kg1 s LEU 7 Cb -0.03 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 1kg1 s LEU 7 CO 0.22 -0.51 -0.02 0.00 0.23 0.00 0.00 176.35 176.27 1kg1 n ASP 10 N 0.47 0.51 0.00 0.00 2.03 -1.26 -4.20 116.55 114.10 1kg1 n ASP 10 Ca -0.08 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1kg1 n ASP 10 Cb 0.51 0.19 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 1kg1 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kg1 n GLY 11 N 1.46 2.79 2.58 0.27 0.00 -1.26 -4.78 105.19 106.25 1kg1 n GLY 11 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.15 0.30 0.00 4.61 0.00 -1.26 -5.00 120.51 119.01 1kg1 n ALA 12 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1kg1 n ALA 12 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 2.76 0.00 0.00 0.00 7.94 -1.26 -5.14 117.00 121.30 1kg1 n LEU 13 Ca 0.23 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1kg1 n LEU 13 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1kg1 n LEU 13 CO 0.03 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.48 1kg1 n LYS 14 N 0.00 0.00 -1.65 1.96 3.00 -1.26 -5.06 118.16 115.15 1kg1 n LYS 14 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.31 57.79 1kg1 n LYS 14 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1kg1 n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kg1 n ALA 15 N -0.07 -0.16 -3.61 3.14 0.00 -1.26 -4.50 120.51 114.05 1kg1 n ALA 15 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 1kg1 n ALA 15 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 1kg1 n ALA 15 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1kg1 n VAL 16 N 3.58 0.00 -3.69 0.00 3.14 -0.36 -4.98 118.33 116.01 1kg1 n VAL 16 Ca 0.21 -1.14 -0.36 0.00 -2.96 0.00 0.00 64.34 60.09 1kg1 n VAL 16 Cb 0.20 0.62 -0.07 0.00 -1.06 0.00 0.00 33.84 33.53 1kg1 n VAL 16 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1kg1 s SER 17 N -2.20 6.35 0.23 6.55 0.01 -1.26 -0.58 113.70 122.80 1kg1 s SER 17 Ca 0.19 0.40 0.10 0.00 1.31 0.00 0.00 55.95 57.95 1kg1 s SER 17 Cb 0.00 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 1kg1 s SER 17 CO 0.13 0.21 -0.18 0.00 0.41 0.00 0.00 173.24 173.82 1kg1 s ALA 18 N 0.02 2.35 -1.01 1.44 0.00 0.16 -4.93 121.76 119.79 1kg1 s ALA 18 Ca 0.13 -1.72 -0.14 0.00 0.00 0.00 0.00 51.96 50.23 1kg1 s ALA 18 Cb -0.12 -0.19 0.21 0.00 0.00 0.00 0.00 23.12 23.02 1kg1 s ALA 18 CO 0.02 0.21 1.08 0.00 0.00 0.00 0.00 175.76 177.07 1kg1 s LEU 20 N 0.56 2.65 0.54 0.00 0.20 -1.26 -4.94 118.68 116.43 1kg1 s LEU 20 Ca 0.30 -0.85 0.04 0.00 0.69 0.00 0.00 54.13 54.30 1kg1 s LEU 20 Cb -0.07 -1.28 0.05 0.00 -0.43 0.00 0.00 46.19 44.46 1kg1 s LEU 20 CO -0.07 0.08 0.75 -1.00 -0.29 0.00 0.00 176.35 175.82 1kg1 s HIS 21 N -2.02 2.50 0.34 5.38 3.76 -1.26 -2.39 115.29 121.59 1kg1 s HIS 21 Ca 0.26 -0.24 0.11 0.00 -0.15 0.00 0.00 55.06 55.03 1kg1 s HIS 21 Cb -0.07 -2.62 0.60 0.00 1.11 0.00 0.00 32.58 31.60 1kg1 s HIS 21 CO 0.13 -0.90 1.77 1.49 -0.85 0.00 0.00 174.74 176.38 1kg1 h GLU 22 N 0.15 0.08 0.00 1.40 4.57 -1.98 -1.51 114.58 117.29 1kg1 h GLU 22 Ca -0.39 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1kg1 h GLU 22 Cb 1.29 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1kg1 h GLU 22 CO 0.47 0.47 0.00 0.43 -1.18 0.00 0.00 179.01 179.20 1kg1 n SER 23 N -4.05 0.00 -4.31 1.04 7.64 -1.26 -4.75 113.62 107.94 1kg1 n SER 23 Ca -0.02 -1.21 -0.25 0.00 1.01 0.00 0.00 58.87 58.41 1kg1 n SER 23 Cb 0.45 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.52 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 1.18 0.34 1.43 2.12 -0.57 -5.15 118.70 116.05 1kg1 s GLU 24 Ca 0.32 -1.21 0.04 0.00 0.36 0.00 0.00 54.97 54.48 1kg1 s GLU 24 Cb 0.15 -1.47 -0.07 0.00 0.26 0.00 0.00 34.13 33.00 1kg1 s GLU 24 CO 0.24 0.34 0.05 -1.54 -0.54 0.00 0.00 175.26 173.82 1kg1 s SER 25 N -1.99 2.64 0.26 -1.70 1.04 -1.26 -4.60 113.70 108.10 1kg1 s SER 25 Ca 0.08 -1.38 -0.14 0.00 0.48 0.00 0.00 55.95 54.99 1kg1 s SER 25 Cb -0.10 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1kg1 s SER 25 CO 0.05 -0.59 0.53 0.00 0.98 0.00 0.00 173.24 174.21 1kg1 s LEU 27 N -3.01 3.16 0.39 0.00 1.98 -1.26 -4.92 118.68 115.00 1kg1 s LEU 27 Ca 0.21 -0.16 -0.26 0.00 -2.89 0.00 0.00 54.13 51.03 1kg1 s LEU 27 Cb -0.02 -2.55 -0.09 0.00 0.66 0.00 0.00 46.19 44.20 1kg1 s LEU 27 CO 0.09 -2.90 1.17 -0.69 -1.89 0.00 0.00 176.35 172.14 1kg1 s VAL 28 N 10.96 3.16 0.27 1.68 1.01 -1.26 -0.24 120.40 135.97 1kg1 s VAL 28 Ca 0.76 1.00 -0.04 0.00 0.00 0.00 0.00 61.98 63.70 1kg1 s VAL 28 Cb -0.10 -3.57 0.06 0.00 0.00 0.00 0.00 36.38 32.77 1kg1 s VAL 28 CO 0.08 0.11 0.29 -0.81 0.00 0.00 0.00 175.10 174.78 1kg1 n PRO 29 N 0.21 -0.90 -3.77 2.72 -0.04 -1.26 -4.85 135.00 127.11 1kg1 n PRO 29 Ca 0.04 -0.46 -0.13 0.00 -0.04 0.00 0.00 63.50 62.91 1kg1 n PRO 29 Cb 0.46 -0.36 -0.10 0.00 -0.04 0.00 0.00 33.50 33.45 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 -3.35 -0.20 -0.39 0.55 0.00 -0.74 -5.01 107.32 98.18 1kg1 s GLY 30 Ca 0.18 0.70 -0.12 0.00 0.00 0.00 0.00 44.72 45.47 1kg1 s GLY 30 CO 0.13 0.56 0.24 0.99 0.00 0.00 0.00 173.10 175.02 1kg1 s ASP 31 N -0.28 5.88 -0.16 1.64 1.11 -1.26 -1.56 116.67 122.05 1kg1 s ASP 31 Ca -0.04 -0.95 -0.21 0.00 0.18 0.00 0.00 52.55 51.54 1kg1 s ASP 31 Cb -0.03 -2.08 -0.03 0.00 1.07 0.00 0.00 42.92 41.85 1kg1 s ASP 31 CO 0.01 -0.40 0.61 0.00 1.18 0.00 0.00 175.17 176.57 1kg1 s ARG 34 N 0.09 1.37 0.35 0.00 3.52 0.13 -0.21 118.95 124.19 1kg1 s ARG 34 Ca 0.13 -2.04 0.00 0.00 -0.13 0.00 0.00 55.73 53.69 1kg1 s ARG 34 Cb -0.12 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 1kg1 s ARG 34 CO 0.02 -1.13 0.00 0.41 -0.81 0.00 0.00 175.30 173.79 1kg1 n GLY 35 N 3.59 1.11 0.80 8.12 0.00 -1.26 -0.87 105.19 116.68 1kg1 n GLY 35 Ca 0.07 0.49 0.01 0.00 0.00 0.00 0.00 46.02 46.59 1kg1 n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kg1 n LYS 36 N 0.00 0.04 -3.87 1.61 5.02 -1.26 -5.04 118.16 114.66 1kg1 n LYS 36 Ca 0.00 -1.36 -0.27 0.00 -2.02 0.00 0.00 58.31 54.66 1kg1 n LYS 36 Cb 0.00 -0.37 -0.17 0.00 -0.02 0.00 0.00 35.03 34.47 1kg1 n LYS 36 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1kg1 s SER 37 N -1.36 2.32 0.13 4.39 0.01 -0.05 -5.13 113.70 114.00 1kg1 s SER 37 Ca 0.11 -0.40 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 1kg1 s SER 37 Cb 0.13 -0.79 -0.06 0.00 0.21 0.00 0.00 66.02 65.52 1kg1 s SER 37 CO -0.05 -0.16 0.39 0.00 0.41 0.00 0.00 173.24 173.82 1kg1 s ARG 38 N 1.74 3.66 -0.06 12.44 1.04 -1.26 0.19 118.95 136.70 1kg1 s ARG 38 Ca 0.03 -0.00 -0.11 0.00 -1.04 0.00 0.00 55.73 54.62 1kg1 s ARG 38 Cb -0.14 -2.88 0.02 0.00 -2.04 0.00 0.00 34.95 29.92 1kg1 s ARG 38 CO -0.08 0.49 0.26 -1.17 -0.04 0.00 0.00 175.30 174.76 1kg1 s LEU 39 N -2.45 1.04 -0.20 -1.89 2.96 0.16 -4.98 118.68 113.33 1kg1 s LEU 39 Ca 0.39 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 1kg1 s LEU 39 Cb -0.12 0.98 0.02 0.00 0.50 0.00 0.00 46.19 47.57 1kg1 s LEU 39 CO 0.22 -0.24 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.96 1kg1 s THR 40 N -0.55 2.27 0.27 3.68 2.01 -1.26 0.14 115.64 122.21 1kg1 s THR 40 Ca -0.06 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1kg1 s THR 40 Cb -0.04 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1kg1 s THR 40 CO 0.02 0.42 0.24 -0.76 -0.69 0.00 0.00 174.62 173.85 1kg1 s LEU 41 N 1.28 1.36 -0.27 4.42 1.43 -0.60 -4.97 118.68 121.33 1kg1 s LEU 41 Ca 0.03 -1.54 -0.06 0.00 -1.03 0.00 0.00 54.13 51.53 1kg1 s LEU 41 Cb -0.14 0.63 0.00 0.00 0.03 0.00 0.00 46.19 46.70 1kg1 s LEU 41 CO -0.10 -1.00 0.05 0.00 0.23 0.00 0.00 176.35 175.53 1kg1 s SER 43 N 1.50 -0.96 0.55 0.00 0.01 -1.26 -5.05 113.70 108.50 1kg1 s SER 43 Ca 0.04 1.49 -0.02 0.00 1.31 0.00 0.00 55.95 58.77 1kg1 s SER 43 Cb -0.16 1.53 0.02 0.00 0.21 0.00 0.00 66.02 67.62 1kg1 s SER 43 CO 0.01 -0.23 0.81 -0.31 0.41 0.00 0.00 173.24 173.93 1kg1 s TYR 44 N 1.84 3.07 -0.14 2.43 2.02 -1.26 -2.46 117.35 122.85 1kg1 s TYR 44 Ca -0.09 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 1kg1 s TYR 44 Cb -0.06 -2.68 0.03 0.00 -0.40 0.00 0.00 41.96 38.85 1kg1 s TYR 44 CO -0.20 -0.78 -0.11 0.20 -1.57 0.00 0.00 175.55 173.09 1kg1 s GLY 45 N -4.35 1.04 -0.20 0.71 0.00 0.26 -3.99 107.32 100.79 1kg1 s GLY 45 Ca 0.54 -0.82 -0.40 0.00 0.00 0.00 0.00 44.72 44.04 1kg1 s GLY 45 CO 0.41 0.66 1.21 -1.84 0.00 0.00 0.00 173.10 173.54 1kg1 n GLU 46 N 4.82 0.00 0.00 2.90 0.00 -1.26 -4.13 120.64 122.97 1kg1 n GLU 46 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.01 1kg1 n GLU 46 Cb 0.49 -1.40 0.00 0.00 0.00 0.00 0.00 31.44 30.53 1kg1 n GLU 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kg1 n GLY 47 N 2.41 -0.42 0.01 -1.84 0.00 -1.26 -5.01 105.19 99.08 1kg1 n GLY 47 Ca 0.23 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 -2.03 2.42 -0.02 0.00 -1.26 -5.04 105.19 99.27 1kg1 n GLY 48 Ca 0.00 0.71 -0.18 0.00 0.00 0.00 0.00 46.02 46.55 1kg1 n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kg1 n ASN 49 N -1.77 -1.10 -3.83 1.61 3.02 -1.26 -5.06 115.26 106.87 1kg1 n ASN 49 Ca 0.00 -2.89 -0.11 0.00 -0.03 0.00 0.00 54.58 51.55 1kg1 n ASN 49 Cb 0.00 0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 39.41 1kg1 n ASN 49 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1kg1 s GLY 50 N -1.16 -0.01 0.03 7.41 0.00 -1.26 -5.07 107.32 107.27 1kg1 s GLY 50 Ca 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 1kg1 s GLY 50 CO -0.16 -0.34 0.20 -0.12 0.00 0.00 0.00 173.10 172.67 1kg1 s PHE 51 N -2.31 3.53 0.42 1.90 2.19 -1.26 0.89 117.98 123.34 1kg1 s PHE 51 Ca -0.07 0.30 0.04 0.00 0.33 0.00 0.00 56.93 57.52 1kg1 s PHE 51 Cb -0.02 -1.79 -0.02 0.00 -1.31 0.00 0.00 43.02 39.87 1kg1 s PHE 51 CO -0.02 0.61 0.11 -1.14 1.83 0.00 0.00 175.22 176.62 1kg1 s GLN 52 N -2.26 1.95 0.22 10.12 0.74 -1.03 -4.57 119.66 124.84 1kg1 s GLN 52 Ca 0.32 -2.19 0.11 0.00 0.05 0.00 0.00 55.36 53.65 1kg1 s GLN 52 Cb -0.13 -0.71 -0.05 0.00 1.10 0.00 0.00 33.01 33.23 1kg1 s GLN 52 CO 0.24 -0.46 -0.22 0.00 -0.55 0.00 0.00 175.29 174.30 1kg1 s PRO 54 N -2.99 1.62 0.15 0.00 0.04 -1.26 -4.92 135.00 127.64 1kg1 s PRO 54 Ca 0.24 0.46 -0.31 0.00 0.04 0.00 0.00 61.00 61.43 1kg1 s PRO 54 Cb -0.07 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 1kg1 s PRO 54 CO 0.12 -1.90 1.61 0.99 0.04 0.00 0.00 177.00 177.85 1kg1 s THR 55 N -3.22 2.62 0.00 1.26 2.01 -1.26 -1.54 115.64 115.52 1kg1 s THR 55 Ca 0.62 0.39 0.00 0.00 0.31 0.00 0.00 61.69 63.01 1kg1 s THR 55 Cb -0.15 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1kg1 s THR 55 CO 0.54 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1kg1 n GLY 56 N 3.83 0.54 3.77 4.40 0.00 -1.26 -5.05 105.19 111.42 1kg1 n GLY 56 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.25 2.13 0.28 1.61 2.02 -0.59 -4.85 117.35 115.71 1kg1 s TYR 57 Ca 0.00 -0.78 0.02 0.00 -0.37 0.00 0.00 57.07 55.94 1kg1 s TYR 57 Cb 0.00 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1kg1 s TYR 57 CO 0.00 0.09 0.32 -2.13 -1.57 0.00 0.00 175.55 172.26 1kg1 n ARG 58 N -1.33 0.47 -3.20 -0.62 0.63 0.70 -4.78 116.66 108.53 1kg1 n ARG 58 Ca -0.08 -2.50 -0.39 0.00 -0.92 0.00 0.00 57.85 53.97 1kg1 n ARG 58 Cb 0.66 2.23 -0.06 0.00 0.45 0.00 0.00 32.46 35.74 1kg1 n ARG 58 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1kg1 s GLN 59 N -2.86 4.33 0.00 -0.14 -0.21 -1.26 0.80 119.66 120.32 1kg1 s GLN 59 Ca 0.28 0.71 0.31 0.00 0.02 0.00 0.00 55.36 56.68 1kg1 s GLN 59 Cb 0.00 -3.37 1.85 0.00 1.00 0.00 0.00 33.01 32.50 1kg1 s GLN 59 CO 0.20 0.31 2.17 0.00 -2.12 0.00 0.00 175.29 175.85