#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 0.52 0.24 -1.24 3.00 -1.26 -5.12 118.95 115.10 1kg1 s ARG 2 Ca 0.00 -1.03 -0.28 0.00 0.00 0.00 0.00 55.73 54.43 1kg1 s ARG 2 Cb 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 34.95 34.94 1kg1 s ARG 2 CO 0.00 -0.08 0.69 0.00 0.00 0.00 0.00 175.30 175.91 1kg1 n ARG 4 N 0.89 3.49 -3.15 0.00 1.74 0.14 -4.90 116.66 114.88 1kg1 n ARG 4 Ca 0.15 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.29 1kg1 n ARG 4 Cb 0.28 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.71 1kg1 n ARG 4 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1kg1 s TYR 5 N 1.77 -0.16 0.15 -1.55 5.04 -1.26 -4.06 117.35 117.29 1kg1 s TYR 5 Ca 0.00 0.14 -0.02 0.00 -2.44 0.00 0.00 57.07 54.75 1kg1 s TYR 5 Cb 0.00 0.04 -0.04 0.00 0.35 0.00 0.00 41.96 42.32 1kg1 s TYR 5 CO 0.00 -0.09 0.09 0.99 -1.34 0.00 0.00 175.55 175.21 1kg1 s THR 6 N 2.99 0.07 -0.69 4.34 2.01 -0.56 -4.92 115.64 118.87 1kg1 s THR 6 Ca 0.07 -1.89 -0.24 0.00 0.31 0.00 0.00 61.69 59.94 1kg1 s THR 6 Cb -0.05 -2.15 0.06 0.00 0.01 0.00 0.00 72.50 70.37 1kg1 s THR 6 CO -0.13 -0.33 1.06 -0.76 -0.69 0.00 0.00 174.62 173.76 1kg1 s LEU 7 N -3.07 4.07 0.30 4.42 1.43 -1.26 -0.06 118.68 124.50 1kg1 s LEU 7 Ca 0.27 -0.88 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 1kg1 s LEU 7 Cb 0.07 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1kg1 s LEU 7 CO 0.04 -1.54 0.44 0.00 0.23 0.00 0.00 176.35 175.53 1kg1 n ASP 10 N 1.22 0.62 0.00 0.00 -0.08 -1.26 -3.99 116.55 113.06 1kg1 n ASP 10 Ca -0.13 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1kg1 n ASP 10 Cb 0.53 0.19 0.00 0.00 2.34 0.00 0.00 41.12 44.18 1kg1 n ASP 10 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kg1 n GLY 11 N 1.38 2.90 2.49 0.27 0.00 -1.26 -4.75 105.19 106.22 1kg1 n GLY 11 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.30 0.39 0.00 4.61 0.00 -1.26 -5.02 120.51 118.92 1kg1 n ALA 12 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 53.44 51.11 1kg1 n ALA 12 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.58 0.00 -3.65 0.00 7.94 -1.26 -5.14 117.00 116.46 1kg1 n LEU 13 Ca 0.15 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.05 1kg1 n LEU 13 Cb 0.58 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.47 1kg1 n LEU 13 CO 0.10 0.00 1.03 -1.59 -1.11 0.00 0.00 177.39 175.82 1kg1 s LYS 14 N 0.00 0.07 -0.17 1.96 -2.85 -1.26 -5.03 119.74 112.46 1kg1 s LYS 14 Ca 0.00 0.11 -0.40 0.00 -1.00 0.00 0.00 55.97 54.68 1kg1 s LYS 14 Cb 0.00 0.02 -0.18 0.00 -2.06 0.00 0.00 37.83 35.62 1kg1 s LYS 14 CO 0.00 -0.01 1.48 0.00 0.10 0.00 0.00 175.35 176.92 1kg1 n ALA 15 N 2.69 -1.24 -2.18 0.59 0.00 -1.26 -4.53 120.51 114.59 1kg1 n ALA 15 Ca -0.15 0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 1kg1 n ALA 15 Cb 0.56 -2.04 -0.10 0.00 0.00 0.00 0.00 19.45 17.87 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 1.94 0.45 0.14 0.00 0.11 0.44 -4.92 120.40 118.57 1kg1 s VAL 16 Ca 0.94 -1.92 -0.30 0.00 -2.93 0.00 0.00 61.98 57.77 1kg1 s VAL 16 Cb -1.15 -1.91 -0.07 0.00 -1.53 0.00 0.00 36.38 31.72 1kg1 s VAL 16 CO 0.62 -0.64 1.17 -0.94 -3.33 0.00 0.00 175.10 171.97 1kg1 s SER 17 N -3.07 7.14 0.05 3.54 1.04 -1.26 -0.08 113.70 121.06 1kg1 s SER 17 Ca 0.19 2.12 -0.00 0.00 0.48 0.00 0.00 55.95 58.73 1kg1 s SER 17 Cb 0.07 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1kg1 s SER 17 CO -0.01 -0.36 -0.04 0.00 0.98 0.00 0.00 173.24 173.82 1kg1 s ALA 18 N 0.25 0.54 -0.37 5.32 0.00 0.91 -4.88 121.76 123.53 1kg1 s ALA 18 Ca 0.54 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 1kg1 s ALA 18 Cb -0.31 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.07 1kg1 s ALA 18 CO 0.34 -0.28 0.18 0.00 0.00 0.00 0.00 175.76 175.99 1kg1 s LEU 20 N 1.44 2.50 0.56 0.00 0.20 -1.26 -4.88 118.68 117.25 1kg1 s LEU 20 Ca 0.01 -0.95 0.01 0.00 0.69 0.00 0.00 54.13 53.89 1kg1 s LEU 20 Cb -0.20 -0.57 0.04 0.00 -0.43 0.00 0.00 46.19 45.03 1kg1 s LEU 20 CO 0.03 -0.20 0.79 -1.00 -0.29 0.00 0.00 176.35 175.69 1kg1 s HIS 21 N -2.79 2.78 0.32 5.38 3.76 -1.26 0.28 115.29 123.77 1kg1 s HIS 21 Ca 0.17 -0.03 0.08 0.00 -0.15 0.00 0.00 55.06 55.14 1kg1 s HIS 21 Cb -0.01 -2.77 0.55 0.00 1.11 0.00 0.00 32.58 31.45 1kg1 s HIS 21 CO 0.04 -0.93 1.75 1.49 -0.85 0.00 0.00 174.74 176.24 1kg1 h GLU 22 N 0.03 0.17 0.00 1.40 4.81 -1.98 -1.59 114.58 117.43 1kg1 h GLU 22 Ca -0.42 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1kg1 h GLU 22 Cb 1.30 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1kg1 h GLU 22 CO 0.51 0.53 0.00 0.43 -0.73 0.00 0.00 179.01 179.76 1kg1 n SER 23 N -4.06 0.00 -4.33 1.04 7.64 -1.26 -4.75 113.62 107.90 1kg1 n SER 23 Ca -0.01 -1.29 -0.24 0.00 1.01 0.00 0.00 58.87 58.34 1kg1 n SER 23 Cb 0.45 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.04 1.43 2.12 -0.60 -5.14 118.70 115.73 1kg1 s GLU 24 Ca 0.29 -1.33 0.01 0.00 0.36 0.00 0.00 54.97 54.29 1kg1 s GLU 24 Cb 0.13 -1.45 0.02 0.00 0.26 0.00 0.00 34.13 33.10 1kg1 s GLU 24 CO 0.22 0.32 -0.02 0.45 -0.54 0.00 0.00 175.26 175.69 1kg1 s SER 25 N -2.35 0.69 0.52 -1.70 0.15 -1.26 -4.61 113.70 105.13 1kg1 s SER 25 Ca 0.13 -0.07 0.07 0.00 0.70 0.00 0.00 55.95 56.78 1kg1 s SER 25 Cb -0.08 -0.33 0.04 0.00 -1.71 0.00 0.00 66.02 63.94 1kg1 s SER 25 CO 0.06 -0.08 0.50 0.00 1.20 0.00 0.00 173.24 174.92 1kg1 n LEU 27 N -1.83 3.16 -4.79 0.00 7.94 -1.26 -4.91 117.00 115.31 1kg1 n LEU 27 Ca 0.04 -2.98 -0.35 0.00 -1.11 0.00 0.00 56.01 51.62 1kg1 n LEU 27 Cb 0.63 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 43.05 1kg1 n LEU 27 CO 0.40 -1.53 0.73 0.54 -1.11 0.00 0.00 177.39 176.42 1kg1 s VAL 28 N 9.53 3.66 0.00 1.96 0.11 -1.26 -0.10 120.40 134.30 1kg1 s VAL 28 Ca 0.66 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.77 1kg1 s VAL 28 Cb 0.04 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 1kg1 s VAL 28 CO 0.15 -0.20 0.00 -0.81 -3.33 0.00 0.00 175.10 170.91 1kg1 n PRO 29 N -0.91 -0.42 -3.77 1.54 -0.04 -1.26 -4.90 135.00 125.23 1kg1 n PRO 29 Ca 0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1kg1 n PRO 29 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 -2.66 -0.22 -0.51 0.55 0.00 0.23 -4.94 107.32 99.77 1kg1 s GLY 30 Ca 0.00 0.84 -0.22 0.00 0.00 0.00 0.00 44.72 45.34 1kg1 s GLY 30 CO 0.00 0.72 0.80 0.99 0.00 0.00 0.00 173.10 175.62 1kg1 s ASP 31 N 0.14 6.33 -0.23 1.64 1.11 -1.26 -1.33 116.67 123.07 1kg1 s ASP 31 Ca -0.00 -0.44 -0.20 0.00 0.18 0.00 0.00 52.55 52.09 1kg1 s ASP 31 Cb -0.02 -2.38 -0.02 0.00 1.07 0.00 0.00 42.92 41.57 1kg1 s ASP 31 CO 0.00 -1.04 0.60 0.00 1.18 0.00 0.00 175.17 175.92 1kg1 s ARG 34 N -1.52 0.33 1.40 0.00 6.06 0.84 0.09 118.95 126.14 1kg1 s ARG 34 Ca 0.20 0.81 0.00 0.00 -2.50 0.00 0.00 55.73 54.24 1kg1 s ARG 34 Cb -0.12 0.04 0.00 0.00 0.06 0.00 0.00 34.95 34.93 1kg1 s ARG 34 CO 0.11 -0.19 0.00 0.41 -2.50 0.00 0.00 175.30 173.13 1kg1 n GLY 35 N 4.61 0.51 2.56 8.12 0.00 -1.26 0.28 105.19 120.01 1kg1 n GLY 35 Ca -0.19 0.74 -0.20 0.00 0.00 0.00 0.00 46.02 46.37 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 2.51 -3.52 1.61 2.85 -1.26 -5.05 118.16 115.30 1kg1 n LYS 36 Ca 0.00 -4.05 -0.13 0.00 -1.05 0.00 0.00 58.31 53.07 1kg1 n LYS 36 Cb 0.00 -1.88 -0.04 0.00 -0.65 0.00 0.00 35.03 32.46 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 -3.33 -0.49 -0.05 -5.58 0.01 0.14 -5.18 113.70 99.22 1kg1 s SER 37 Ca 0.41 0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.67 1kg1 s SER 37 Cb 0.41 0.53 0.03 0.00 0.21 0.00 0.00 66.02 67.20 1kg1 s SER 37 CO -0.10 -0.80 0.32 -0.60 0.41 0.00 0.00 173.24 172.47 1kg1 s ARG 38 N -2.83 0.58 -0.02 12.44 3.00 -1.26 -0.12 118.95 130.74 1kg1 s ARG 38 Ca -0.03 0.05 -0.18 0.00 -1.00 0.00 0.00 55.73 54.56 1kg1 s ARG 38 Cb -0.00 0.26 0.03 0.00 0.00 0.00 0.00 34.95 35.24 1kg1 s ARG 38 CO -0.05 -0.14 0.39 -0.48 0.00 0.00 0.00 175.30 175.03 1kg1 s LEU 39 N -0.80 0.51 -0.27 -0.88 0.05 -0.45 -4.98 118.68 111.86 1kg1 s LEU 39 Ca -0.09 0.21 -0.02 0.00 0.05 0.00 0.00 54.13 54.28 1kg1 s LEU 39 Cb -0.04 1.56 0.03 0.00 -2.05 0.00 0.00 46.19 45.68 1kg1 s LEU 39 CO 0.03 -0.49 -0.03 0.28 -0.55 0.00 0.00 176.35 175.59 1kg1 s THR 40 N -1.37 3.06 0.18 5.48 -1.32 -1.26 0.11 115.64 120.52 1kg1 s THR 40 Ca -0.13 -1.05 0.03 0.00 -1.21 0.00 0.00 61.69 59.33 1kg1 s THR 40 Cb -0.04 -2.60 -0.01 0.00 -1.51 0.00 0.00 72.50 68.34 1kg1 s THR 40 CO 0.05 0.12 0.19 0.18 -2.21 0.00 0.00 174.62 172.95 1kg1 n LEU 41 N 4.69 0.00 -4.38 9.08 4.77 -0.44 -4.88 117.00 125.84 1kg1 n LEU 41 Ca -0.15 -1.65 -0.34 0.00 -0.03 0.00 0.00 56.01 53.83 1kg1 n LEU 41 Cb 0.46 1.05 -0.14 0.00 -2.33 0.00 0.00 43.42 42.47 1kg1 n LEU 41 CO 0.27 -0.31 -0.38 0.00 -1.33 0.00 0.00 177.39 175.64 1kg1 s SER 43 N 0.98 -0.60 0.35 0.00 0.15 -1.26 -5.02 113.70 108.30 1kg1 s SER 43 Ca 0.00 -1.02 0.07 0.00 0.70 0.00 0.00 55.95 55.71 1kg1 s SER 43 Cb -0.15 1.48 -0.02 0.00 -1.71 0.00 0.00 66.02 65.62 1kg1 s SER 43 CO 0.00 -0.21 0.33 -0.31 1.20 0.00 0.00 173.24 174.25 1kg1 s TYR 44 N 1.75 2.89 0.01 3.44 1.51 -1.26 0.19 117.35 125.87 1kg1 s TYR 44 Ca 0.16 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1kg1 s TYR 44 Cb -0.08 -1.88 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 1kg1 s TYR 44 CO -0.07 0.11 -0.01 0.20 -1.11 0.00 0.00 175.55 174.67 1kg1 s GLY 45 N -4.04 0.09 0.62 0.71 0.00 -1.26 -4.87 107.32 98.57 1kg1 s GLY 45 Ca 0.43 -0.19 -0.18 0.00 0.00 0.00 0.00 44.72 44.78 1kg1 s GLY 45 CO 0.27 -0.21 0.78 1.18 0.00 0.00 0.00 173.10 175.12 1kg1 n GLU 46 N 2.62 0.66 -2.89 2.90 -0.58 -1.26 -4.00 120.64 118.09 1kg1 n GLU 46 Ca -0.16 0.26 -0.10 0.00 -0.42 0.00 0.00 57.16 56.75 1kg1 n GLU 46 Cb 0.58 -2.00 0.01 0.00 -0.57 0.00 0.00 31.44 29.47 1kg1 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kg1 n GLY 47 N 1.46 -1.23 0.00 0.62 0.00 -1.26 -5.00 105.19 99.77 1kg1 n GLY 47 Ca 0.13 1.26 0.00 0.00 0.00 0.00 0.00 46.02 47.41 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 -0.30 3.20 2.99 -0.02 0.00 -1.26 -5.02 105.19 104.77 1kg1 n GLY 48 Ca 0.11 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 5.02 -3.63 1.61 3.02 -1.26 -4.59 115.26 115.43 1kg1 n ASN 49 Ca 0.00 -3.06 -0.12 0.00 -0.03 0.00 0.00 54.58 51.37 1kg1 n ASN 49 Cb 0.00 -1.52 -0.07 0.00 -0.61 0.00 0.00 39.78 37.58 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 1.49 -0.38 0.47 7.41 0.00 -1.26 -5.15 107.32 109.90 1kg1 s GLY 50 Ca 0.41 2.30 -0.15 0.00 0.00 0.00 0.00 44.72 47.28 1kg1 s GLY 50 CO -0.00 1.79 -0.18 0.33 0.00 0.00 0.00 173.10 175.04 1kg1 n PHE 51 N 2.52 -2.66 -3.75 1.90 7.35 -1.26 -4.60 117.46 116.96 1kg1 n PHE 51 Ca -0.13 0.33 -0.28 0.00 -0.76 0.00 0.00 57.45 56.60 1kg1 n PHE 51 Cb 0.55 -1.37 -0.16 0.00 0.35 0.00 0.00 39.48 38.85 1kg1 n PHE 51 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 1kg1 s GLN 52 N -0.94 0.74 0.11 -4.13 -0.44 0.51 -4.92 119.66 110.58 1kg1 s GLN 52 Ca 0.45 -0.54 -0.27 0.00 -2.50 0.00 0.00 55.36 52.50 1kg1 s GLN 52 Cb -0.38 -2.13 -0.06 0.00 -1.64 0.00 0.00 33.01 28.80 1kg1 s GLN 52 CO 0.57 -0.68 0.86 0.00 0.50 0.00 0.00 175.29 176.54 1kg1 s PRO 54 N -0.30 -0.00 0.21 0.00 0.04 -1.26 -4.87 135.00 128.83 1kg1 s PRO 54 Ca 0.42 -0.14 -0.31 0.00 0.04 0.00 0.00 61.00 61.00 1kg1 s PRO 54 Cb -0.22 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 1kg1 s PRO 54 CO 0.27 -2.89 1.66 -0.08 0.04 0.00 0.00 177.00 176.00 1kg1 s THR 55 N -3.42 2.18 0.00 1.26 -1.32 -1.26 -1.30 115.64 111.78 1kg1 s THR 55 Ca 0.71 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 61.32 1kg1 s THR 55 Cb -0.08 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.82 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 3.57 0.76 3.36 6.08 0.00 -1.26 -5.04 105.19 112.65 1kg1 n GLY 56 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.71 1.99 -0.13 1.61 2.02 -0.42 -4.68 117.35 115.02 1kg1 s TYR 57 Ca 0.00 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.22 1kg1 s TYR 57 Cb 0.00 -1.01 0.06 0.00 -0.40 0.00 0.00 41.96 40.62 1kg1 s TYR 57 CO 0.00 0.37 0.29 -0.98 -1.57 0.00 0.00 175.55 173.65 1kg1 s ARG 58 N -2.59 0.20 0.17 -0.62 1.70 0.11 -4.59 118.95 113.34 1kg1 s ARG 58 Ca 0.16 0.73 -0.23 0.00 -0.47 0.00 0.00 55.73 55.92 1kg1 s ARG 58 Cb -0.07 -0.01 -0.14 0.00 -0.57 0.00 0.00 34.95 34.15 1kg1 s ARG 58 CO 0.07 -0.24 0.43 0.94 -1.08 0.00 0.00 175.30 175.42 1kg1 n GLN 59 N 5.00 0.00 0.00 3.89 7.27 -1.26 0.08 117.38 132.35 1kg1 n GLN 59 Ca -0.12 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.10 1kg1 n GLN 59 Cb 0.51 -0.84 0.93 0.00 2.41 0.00 0.00 30.24 33.25 1kg1 n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13