#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 1.99 0.00 -1.24 0.52 -1.26 -5.03 118.95 113.93 1kg1 s ARG 2 Ca 0.00 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1kg1 s ARG 2 Cb 0.00 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1kg1 s ARG 2 CO 0.00 0.40 0.00 0.00 0.02 0.00 0.00 175.30 175.72 1kg1 s ARG 4 N -5.34 2.45 -0.80 0.00 0.52 -0.84 -4.91 118.95 110.03 1kg1 s ARG 4 Ca 0.00 -2.43 -0.22 0.00 -0.52 0.00 0.00 55.73 52.57 1kg1 s ARG 4 Cb 0.00 -3.69 -0.20 0.00 0.52 0.00 0.00 34.95 31.58 1kg1 s ARG 4 CO 0.00 -1.16 2.09 2.48 0.02 0.00 0.00 175.30 178.73 1kg1 n TYR 5 N 3.64 0.36 -4.16 -0.53 4.11 -1.26 -4.52 117.16 114.81 1kg1 n TYR 5 Ca 0.06 0.25 -0.31 0.00 -0.00 0.00 0.00 57.90 57.90 1kg1 n TYR 5 Cb 0.38 -1.63 -0.08 0.00 -0.00 0.00 0.00 39.34 38.02 1kg1 n TYR 5 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1kg1 s THR 6 N 5.86 4.17 -0.22 -3.48 -4.23 0.13 -4.78 115.64 113.09 1kg1 s THR 6 Ca 1.09 -0.82 -0.29 0.00 -1.18 0.00 0.00 61.69 60.49 1kg1 s THR 6 Cb -0.95 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 69.94 1kg1 s THR 6 CO 0.41 0.20 1.01 -0.76 -0.54 0.00 0.00 174.62 174.94 1kg1 s LEU 7 N -2.09 4.11 0.24 4.79 1.43 -1.26 -0.03 118.68 125.87 1kg1 s LEU 7 Ca 0.24 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 1kg1 s LEU 7 Cb -0.12 -3.50 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1kg1 s LEU 7 CO 0.16 -0.63 0.08 0.00 0.23 0.00 0.00 176.35 176.20 1kg1 n ASP 10 N 1.59 0.61 0.00 0.00 2.03 -1.26 -4.10 116.55 115.42 1kg1 n ASP 10 Ca -0.15 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1kg1 n ASP 10 Cb 0.53 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 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 1.39 2.93 2.53 0.27 0.00 -1.26 -4.77 105.19 106.28 1kg1 n GLY 11 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.33 0.38 0.00 4.61 0.00 -1.26 -5.02 120.51 118.89 1kg1 n ALA 12 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 53.44 51.24 1kg1 n ALA 12 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 2.12 0.00 0.00 0.00 7.94 -1.26 -5.13 117.00 120.67 1kg1 n LEU 13 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1kg1 n LEU 13 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1kg1 n LEU 13 CO 0.07 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.52 1kg1 n LYS 14 N 0.00 0.00 -1.32 1.96 0.00 -1.26 -5.06 118.16 112.48 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 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 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 0.00 -2.24 -2.67 3.14 0.00 -1.26 -4.74 120.51 112.73 1kg1 n ALA 15 Ca 0.00 0.46 -0.16 0.00 0.00 0.00 0.00 53.44 53.73 1kg1 n ALA 15 Cb 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 19.45 17.89 1kg1 n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1kg1 s VAL 16 N 1.07 0.00 0.04 0.00 0.11 -0.10 -4.95 120.40 116.56 1kg1 s VAL 16 Ca 0.80 -1.74 -0.22 0.00 -2.93 0.00 0.00 61.98 57.89 1kg1 s VAL 16 Cb -1.13 -2.60 -0.06 0.00 -1.53 0.00 0.00 36.38 31.06 1kg1 s VAL 16 CO 0.56 0.00 0.65 -0.44 -3.33 0.00 0.00 175.10 172.53 1kg1 s SER 17 N -3.29 7.08 0.02 3.54 0.01 -1.26 -0.33 113.70 119.46 1kg1 s SER 17 Ca 0.34 1.29 0.05 0.00 1.31 0.00 0.00 55.95 58.94 1kg1 s SER 17 Cb 0.01 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 1kg1 s SER 17 CO 0.23 0.12 -0.16 0.00 0.41 0.00 0.00 173.24 173.84 1kg1 s ALA 18 N -0.41 1.38 -1.22 1.44 0.00 0.95 -4.92 121.76 118.98 1kg1 s ALA 18 Ca 0.33 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 1kg1 s ALA 18 Cb -0.19 -0.29 0.17 0.00 0.00 0.00 0.00 23.12 22.80 1kg1 s ALA 18 CO 0.20 0.31 1.50 0.00 0.00 0.00 0.00 175.76 177.77 1kg1 s LEU 20 N 1.42 3.66 0.55 0.00 2.96 -1.26 -4.91 118.68 121.10 1kg1 s LEU 20 Ca 0.43 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 1kg1 s LEU 20 Cb -0.01 -2.23 0.06 0.00 0.50 0.00 0.00 46.19 44.51 1kg1 s LEU 20 CO 0.00 0.02 0.76 -1.00 -1.32 0.00 0.00 176.35 174.81 1kg1 s HIS 21 N -1.98 2.11 0.36 5.38 3.76 -1.26 -1.99 115.29 121.67 1kg1 s HIS 21 Ca 0.31 -0.43 0.11 0.00 -0.15 0.00 0.00 55.06 54.91 1kg1 s HIS 21 Cb -0.09 -2.49 0.69 0.00 1.11 0.00 0.00 32.58 31.81 1kg1 s HIS 21 CO 0.23 -0.98 1.82 0.93 -0.85 0.00 0.00 174.74 175.89 1kg1 h GLU 22 N 0.18 0.07 0.00 1.40 5.08 -1.99 -1.15 114.58 118.16 1kg1 h GLU 22 Ca -0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1kg1 h GLU 22 Cb 1.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1kg1 h GLU 22 CO 0.44 0.40 0.00 0.43 -1.00 0.00 0.00 179.01 179.28 1kg1 n SER 23 N -4.11 0.00 -4.33 1.42 7.64 -1.26 -4.75 113.62 108.22 1kg1 n SER 23 Ca -0.02 -1.26 -0.25 0.00 1.01 0.00 0.00 58.87 58.35 1kg1 n SER 23 Cb 0.40 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.47 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 1.26 -0.00 1.43 2.56 -0.44 -5.14 118.70 116.36 1kg1 s GLU 24 Ca 0.31 -1.29 0.00 0.00 0.00 0.00 0.00 54.97 54.00 1kg1 s GLU 24 Cb 0.14 -1.55 -0.00 0.00 2.00 0.00 0.00 34.13 34.72 1kg1 s GLU 24 CO 0.24 0.35 -0.01 0.45 -0.56 0.00 0.00 175.26 175.73 1kg1 s SER 25 N -2.15 0.16 0.42 -1.70 0.15 -1.26 -4.61 113.70 104.71 1kg1 s SER 25 Ca 0.11 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.79 1kg1 s SER 25 Cb -0.09 -0.02 -0.06 0.00 -1.71 0.00 0.00 66.02 64.14 1kg1 s SER 25 CO 0.06 0.02 0.01 0.00 1.20 0.00 0.00 173.24 174.53 1kg1 s LEU 27 N -3.73 3.26 0.45 0.00 1.98 -1.26 -4.93 118.68 114.45 1kg1 s LEU 27 Ca 0.29 -0.83 -0.25 0.00 -2.89 0.00 0.00 54.13 50.45 1kg1 s LEU 27 Cb 0.08 -2.56 -0.08 0.00 0.66 0.00 0.00 46.19 44.29 1kg1 s LEU 27 CO 0.15 -2.41 1.35 -0.69 -1.89 0.00 0.00 176.35 172.86 1kg1 s VAL 28 N 8.70 2.37 0.00 1.68 1.01 -1.26 -0.27 120.40 132.62 1kg1 s VAL 28 Ca 0.63 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1kg1 s VAL 28 Cb -0.05 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1kg1 s VAL 28 CO -0.02 0.03 0.00 -0.81 0.00 0.00 0.00 175.10 174.30 1kg1 n PRO 29 N -0.23 -0.42 -3.77 2.72 -0.04 -1.26 -4.79 135.00 127.21 1kg1 n PRO 29 Ca 0.06 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1kg1 n PRO 29 Cb 0.43 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.80 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 -2.67 -0.17 -0.20 0.55 0.00 -0.67 -4.97 107.32 99.18 1kg1 s GLY 30 Ca 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 44.72 45.14 1kg1 s GLY 30 CO 0.00 0.32 0.06 0.99 0.00 0.00 0.00 173.10 174.47 1kg1 s ASP 31 N -0.81 5.45 -0.24 1.64 1.11 -1.26 -1.49 116.67 121.07 1kg1 s ASP 31 Ca -0.09 -0.02 -0.10 0.00 0.18 0.00 0.00 52.55 52.53 1kg1 s ASP 31 Cb -0.04 -1.95 -0.04 0.00 1.07 0.00 0.00 42.92 41.95 1kg1 s ASP 31 CO 0.03 0.11 0.13 0.00 1.18 0.00 0.00 175.17 176.62 1kg1 s ARG 34 N 0.23 1.01 1.00 0.00 3.52 0.12 0.14 118.95 124.97 1kg1 s ARG 34 Ca 0.15 -1.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.09 1kg1 s ARG 34 Cb -0.13 -2.05 0.00 0.00 -1.56 0.00 0.00 34.95 31.21 1kg1 s ARG 34 CO 0.03 -1.13 0.00 0.41 -0.81 0.00 0.00 175.30 173.80 1kg1 n GLY 35 N 3.94 1.03 0.75 8.12 0.00 -1.26 -0.84 105.19 116.93 1kg1 n GLY 35 Ca 0.07 0.47 0.02 0.00 0.00 0.00 0.00 46.02 46.58 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 0.21 -4.10 1.61 2.85 -1.26 -5.04 118.16 112.43 1kg1 n LYS 36 Ca 0.00 -1.57 -0.27 0.00 -1.05 0.00 0.00 58.31 55.42 1kg1 n LYS 36 Cb 0.00 -0.51 -0.17 0.00 -0.65 0.00 0.00 35.03 33.70 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 -1.59 2.18 0.06 -5.58 0.01 -0.02 -5.13 113.70 103.63 1kg1 s SER 37 Ca 0.15 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 1kg1 s SER 37 Cb 0.16 -0.90 -0.05 0.00 0.21 0.00 0.00 66.02 65.44 1kg1 s SER 37 CO -0.05 -0.07 0.31 0.00 0.41 0.00 0.00 173.24 173.84 1kg1 s ARG 38 N 1.41 3.59 0.11 12.44 1.70 -1.26 0.12 118.95 137.05 1kg1 s ARG 38 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 1kg1 s ARG 38 Cb -0.13 -2.99 -0.04 0.00 -0.57 0.00 0.00 34.95 31.21 1kg1 s ARG 38 CO -0.06 0.58 -0.02 -0.51 -1.08 0.00 0.00 175.30 174.21 1kg1 s LEU 39 N -2.16 2.28 -0.12 -1.89 2.01 0.78 -4.96 118.68 114.61 1kg1 s LEU 39 Ca 0.33 -1.08 -0.04 0.00 0.01 0.00 0.00 54.13 53.36 1kg1 s LEU 39 Cb -0.13 0.08 0.06 0.00 0.01 0.00 0.00 46.19 46.20 1kg1 s LEU 39 CO 0.21 -0.57 0.14 -0.89 1.01 0.00 0.00 176.35 176.25 1kg1 s THR 40 N -3.79 -0.22 0.35 5.49 2.01 -1.26 -0.22 115.64 117.99 1kg1 s THR 40 Ca 0.15 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 1kg1 s THR 40 Cb 0.07 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.18 1kg1 s THR 40 CO -0.03 -0.00 0.53 -0.76 -0.69 0.00 0.00 174.62 173.67 1kg1 s LEU 41 N 2.25 0.79 -0.28 4.42 1.43 -0.55 -4.98 118.68 121.76 1kg1 s LEU 41 Ca 0.04 -1.39 -0.10 0.00 -1.03 0.00 0.00 54.13 51.65 1kg1 s LEU 41 Cb -0.14 1.73 -0.03 0.00 0.03 0.00 0.00 46.19 47.78 1kg1 s LEU 41 CO -0.07 -1.36 0.15 0.00 0.23 0.00 0.00 176.35 175.30 1kg1 s SER 43 N 1.69 -0.87 0.28 0.00 1.04 -1.26 -5.04 113.70 109.54 1kg1 s SER 43 Ca 0.06 0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.80 1kg1 s SER 43 Cb -0.16 1.75 -0.03 0.00 0.10 0.00 0.00 66.02 67.68 1kg1 s SER 43 CO 0.08 -0.30 0.42 -0.31 0.98 0.00 0.00 173.24 174.11 1kg1 s TYR 44 N 2.74 3.45 -0.05 5.02 2.02 -1.26 0.14 117.35 129.41 1kg1 s TYR 44 Ca 0.13 0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.82 1kg1 s TYR 44 Cb -0.13 -1.69 0.02 0.00 -0.40 0.00 0.00 41.96 39.76 1kg1 s TYR 44 CO -0.24 0.32 0.25 0.20 -1.57 0.00 0.00 175.55 174.51 1kg1 s GLY 45 N -4.01 -0.13 -0.01 0.71 0.00 0.27 -4.58 107.32 99.57 1kg1 s GLY 45 Ca 0.36 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.49 1kg1 s GLY 45 CO 0.31 0.26 0.05 -1.83 0.00 0.00 0.00 173.10 171.89 1kg1 s GLU 46 N -0.69 2.96 -1.29 2.90 1.03 -1.26 -4.19 118.70 118.16 1kg1 s GLU 46 Ca -0.08 -0.52 -0.07 0.00 0.03 0.00 0.00 54.97 54.33 1kg1 s GLU 46 Cb -0.04 -2.79 0.01 0.00 -0.80 0.00 0.00 34.13 30.51 1kg1 s GLU 46 CO 0.02 0.64 1.12 0.41 -1.33 0.00 0.00 175.26 176.12 1kg1 n GLY 47 N 1.34 -0.47 0.00 -3.83 0.00 -1.26 -4.88 105.19 96.09 1kg1 n GLY 47 Ca -0.14 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.79 1.66 2.61 -0.02 0.00 -1.26 -5.10 105.19 101.29 1kg1 n GLY 48 Ca -0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 1kg1 n GLY 48 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kg1 s ASN 49 N 1.41 0.14 0.00 1.61 0.01 -1.26 -5.09 114.94 111.76 1kg1 s ASN 49 Ca 0.00 -2.26 0.00 0.00 -0.71 0.00 0.00 52.86 49.89 1kg1 s ASN 49 Cb 0.00 0.71 0.00 0.00 0.41 0.00 0.00 41.25 42.37 1kg1 s ASN 49 CO 0.00 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.07 1kg1 n GLY 50 N 3.12 1.62 3.75 0.66 0.00 -1.26 -4.38 105.19 108.70 1kg1 n GLY 50 Ca 0.22 0.53 -0.36 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 2.32 0.00 1.61 5.36 -1.26 -0.57 117.98 125.44 1kg1 s PHE 51 Ca 0.00 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 1kg1 s PHE 51 Cb 0.00 -3.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.13 1kg1 s PHE 51 CO 0.00 -2.41 0.00 0.94 -1.46 0.00 0.00 175.22 172.29 1kg1 n GLN 52 N -1.59 2.10 -3.68 10.12 7.27 0.38 -4.72 117.38 127.26 1kg1 n GLN 52 Ca 0.14 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.08 1kg1 n GLN 52 Cb 0.49 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.08 1kg1 n GLN 52 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kg1 s PRO 54 N -2.60 1.60 0.10 0.00 0.04 -1.26 -4.93 135.00 127.96 1kg1 s PRO 54 Ca -0.05 0.45 -0.31 0.00 0.04 0.00 0.00 61.00 61.14 1kg1 s PRO 54 Cb -0.01 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1kg1 s PRO 54 CO -0.03 -1.92 1.60 -0.08 0.04 0.00 0.00 177.00 176.61 1kg1 s THR 55 N -3.22 2.93 0.00 1.26 -1.32 -1.26 -1.62 115.64 112.40 1kg1 s THR 55 Ca 0.62 0.52 0.00 0.00 -1.21 0.00 0.00 61.69 61.62 1kg1 s THR 55 Cb -0.15 -3.33 0.00 0.00 -1.51 0.00 0.00 72.50 67.51 1kg1 s THR 55 CO 0.54 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.57 1kg1 n GLY 56 N 3.87 0.31 3.75 6.08 0.00 -1.26 -5.06 105.19 112.89 1kg1 n GLY 56 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.07 2.64 0.00 1.61 1.51 -0.64 -4.83 117.35 115.57 1kg1 s TYR 57 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1kg1 s TYR 57 Cb 0.00 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 1kg1 s TYR 57 CO 0.00 0.18 0.00 0.54 -1.11 0.00 0.00 175.55 175.16 1kg1 n ARG 58 N -1.26 0.44 -3.57 -0.62 5.12 0.12 -4.78 116.66 112.12 1kg1 n ARG 58 Ca -0.01 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.54 1kg1 n ARG 58 Cb 0.63 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.84 1kg1 n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1kg1 s GLN 59 N -1.13 4.05 0.00 5.56 -0.21 -1.26 -0.83 119.66 125.84 1kg1 s GLN 59 Ca 0.00 -0.17 0.32 0.00 0.02 0.00 0.00 55.36 55.52 1kg1 s GLN 59 Cb 0.00 -3.59 1.82 0.00 1.00 0.00 0.00 33.01 32.25 1kg1 s GLN 59 CO 0.00 -0.06 2.18 0.00 -2.12 0.00 0.00 175.29 175.29