#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 2.98 0.00 -1.24 1.81 -1.26 -4.95 118.95 116.29 1kg1 s ARG 2 Ca 0.00 -0.10 0.00 0.00 -1.72 0.00 0.00 55.73 53.91 1kg1 s ARG 2 Cb 0.00 -2.34 0.00 0.00 -0.45 0.00 0.00 34.95 32.16 1kg1 s ARG 2 CO 0.00 -0.58 0.00 0.00 -0.68 0.00 0.00 175.30 174.04 1kg1 s ARG 4 N -3.20 2.08 -0.31 0.00 6.06 0.23 -4.94 118.95 118.88 1kg1 s ARG 4 Ca 0.00 -2.31 -0.44 0.00 -2.50 0.00 0.00 55.73 50.49 1kg1 s ARG 4 Cb 0.00 -3.49 -0.19 0.00 0.06 0.00 0.00 34.95 31.33 1kg1 s ARG 4 CO 0.00 -1.09 1.46 2.48 -2.50 0.00 0.00 175.30 175.65 1kg1 n TYR 5 N 3.72 1.48 -4.28 5.12 0.18 -1.26 -4.12 117.16 118.01 1kg1 n TYR 5 Ca 0.04 1.02 -0.15 0.00 1.88 0.00 0.00 57.90 60.70 1kg1 n TYR 5 Cb 0.37 -2.23 -0.10 0.00 -0.38 0.00 0.00 39.34 37.01 1kg1 n TYR 5 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1kg1 s THR 6 N 2.13 0.48 -0.14 -3.48 2.01 -0.44 -4.93 115.64 111.26 1kg1 s THR 6 Ca 0.99 -1.99 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1kg1 s THR 6 Cb -1.36 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1kg1 s THR 6 CO 0.71 -0.11 0.01 -0.76 -0.69 0.00 0.00 174.62 173.78 1kg1 s LEU 7 N -3.25 3.56 0.19 4.42 1.02 -1.26 -0.62 118.68 122.73 1kg1 s LEU 7 Ca 0.35 0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.56 1kg1 s LEU 7 Cb 0.07 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.38 1kg1 s LEU 7 CO 0.11 0.25 0.00 0.00 0.02 0.00 0.00 176.35 176.73 1kg1 n ASP 10 N 0.91 0.63 0.00 0.00 2.03 -1.25 -4.04 116.55 114.83 1kg1 n ASP 10 Ca -0.12 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1kg1 n ASP 10 Cb 0.52 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 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 1.38 2.88 2.50 0.27 0.00 -1.26 -4.75 105.19 106.20 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 -0.28 0.38 0.00 4.61 0.00 -1.26 -5.01 120.51 118.95 1kg1 n ALA 12 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 53.44 51.14 1kg1 n ALA 12 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.70 0.00 -3.58 0.00 7.94 -1.26 -5.15 117.00 116.64 1kg1 n LEU 13 Ca 0.16 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.99 1kg1 n LEU 13 Cb 0.58 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.49 1kg1 n LEU 13 CO 0.10 0.00 0.89 -1.59 -1.11 0.00 0.00 177.39 175.68 1kg1 s LYS 14 N 0.00 0.46 -0.14 1.96 -2.85 -1.26 -5.03 119.74 112.88 1kg1 s LYS 14 Ca 0.00 -0.01 -0.29 0.00 -1.00 0.00 0.00 55.97 54.67 1kg1 s LYS 14 Cb 0.00 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 1kg1 s LYS 14 CO 0.00 -0.17 1.41 0.00 0.10 0.00 0.00 175.35 176.69 1kg1 s ALA 15 N -1.71 3.61 0.48 0.59 0.00 -1.26 -3.89 121.76 119.58 1kg1 s ALA 15 Ca 0.04 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1kg1 s ALA 15 Cb -0.01 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1kg1 s ALA 15 CO -0.03 -1.33 0.01 0.14 0.00 0.00 0.00 175.76 174.55 1kg1 s VAL 16 N 3.83 1.30 0.08 0.00 -7.23 0.19 -4.90 120.40 113.68 1kg1 s VAL 16 Ca 0.62 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.83 1kg1 s VAL 16 Cb -0.25 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1kg1 s VAL 16 CO 0.21 0.00 0.03 -0.55 -0.31 0.00 0.00 175.10 174.48 1kg1 s SER 17 N -3.82 5.22 0.17 4.85 0.15 -1.26 -0.13 113.70 118.88 1kg1 s SER 17 Ca 0.14 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.56 1kg1 s SER 17 Cb 0.04 -1.31 0.01 0.00 -1.71 0.00 0.00 66.02 63.04 1kg1 s SER 17 CO 0.07 0.18 0.37 0.00 1.20 0.00 0.00 173.24 175.06 1kg1 s ALA 18 N -1.33 -0.40 -1.01 5.45 0.00 0.21 -4.95 121.76 119.73 1kg1 s ALA 18 Ca 0.27 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.47 1kg1 s ALA 18 Cb -0.12 0.82 0.14 0.00 0.00 0.00 0.00 23.12 23.96 1kg1 s ALA 18 CO 0.19 -0.69 1.21 0.00 0.00 0.00 0.00 175.76 176.47 1kg1 s LEU 20 N 2.30 3.16 0.00 0.00 2.96 -1.26 -4.90 118.68 120.95 1kg1 s LEU 20 Ca 0.35 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1kg1 s LEU 20 Cb -0.04 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 1kg1 s LEU 20 CO -0.07 -1.39 0.13 1.41 -1.32 0.00 0.00 176.35 175.11 1kg1 n HIS 21 N -2.51 -0.02 -0.28 5.38 8.25 -1.26 -0.60 115.22 124.18 1kg1 n HIS 21 Ca 0.11 -2.01 0.17 0.00 -0.26 0.00 0.00 57.72 55.73 1kg1 n HIS 21 Cb 0.60 0.04 0.45 0.00 1.12 0.00 0.00 29.99 32.20 1kg1 n HIS 21 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1kg1 h GLU 22 N 0.00 0.51 -0.33 -0.41 9.09 -1.99 1.54 114.58 122.99 1kg1 h GLU 22 Ca -0.23 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1kg1 h GLU 22 Cb 0.92 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1kg1 h GLU 22 CO 0.36 0.34 0.00 0.43 0.05 0.00 0.00 179.01 180.19 1kg1 n SER 23 N -4.58 1.15 -3.01 3.06 7.64 -1.26 -4.95 113.62 111.67 1kg1 n SER 23 Ca 0.21 -2.05 -0.32 0.00 1.01 0.00 0.00 58.87 57.72 1kg1 n SER 23 Cb 0.66 -0.21 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 1kg1 n SER 23 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1kg1 n GLU 24 N 0.02 0.00 -3.31 1.43 0.00 0.53 -4.95 120.64 114.36 1kg1 n GLU 24 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.11 1kg1 n GLU 24 Cb 0.21 -0.69 -0.06 0.00 0.00 0.00 0.00 31.44 30.91 1kg1 n GLU 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1kg1 s SER 25 N -0.69 0.33 0.29 4.31 1.04 -1.26 -4.98 113.70 112.74 1kg1 s SER 25 Ca 0.43 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.64 1kg1 s SER 25 Cb -0.58 1.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 1kg1 s SER 25 CO 0.40 -0.25 0.35 0.00 0.98 0.00 0.00 173.24 174.73 1kg1 s LEU 27 N 0.00 5.38 0.48 0.00 2.96 -1.26 -5.01 118.68 121.23 1kg1 s LEU 27 Ca 0.28 -2.50 -0.20 0.00 -0.22 0.00 0.00 54.13 51.49 1kg1 s LEU 27 Cb 0.00 -2.36 -0.09 0.00 0.50 0.00 0.00 46.19 44.24 1kg1 s LEU 27 CO 0.20 -0.86 1.02 0.54 -1.32 0.00 0.00 176.35 175.93 1kg1 s VAL 28 N 1.77 3.91 0.34 1.68 0.11 -1.26 -1.42 120.40 125.53 1kg1 s VAL 28 Ca 0.33 1.18 -0.06 0.00 -2.93 0.00 0.00 61.98 60.50 1kg1 s VAL 28 Cb -0.05 -3.48 0.08 0.00 -1.53 0.00 0.00 36.38 31.40 1kg1 s VAL 28 CO -0.07 -0.27 0.37 -0.81 -3.33 0.00 0.00 175.10 171.00 1kg1 n PRO 29 N -0.95 -1.01 -3.76 1.54 -0.04 -1.26 -4.88 135.00 124.63 1kg1 n PRO 29 Ca 0.09 -0.58 -0.11 0.00 -0.04 0.00 0.00 63.50 62.86 1kg1 n PRO 29 Cb 0.53 -0.46 -0.07 0.00 -0.04 0.00 0.00 33.50 33.46 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 -3.51 -0.09 -0.36 0.55 0.00 -0.85 -4.95 107.32 98.11 1kg1 s GLY 30 Ca 0.22 -0.18 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 1kg1 s GLY 30 CO 0.16 -0.40 0.15 0.99 0.00 0.00 0.00 173.10 174.01 1kg1 s ASP 31 N -2.42 5.51 -0.30 1.64 1.11 -1.26 -1.36 116.67 119.60 1kg1 s ASP 31 Ca -0.01 -1.10 -0.21 0.00 0.18 0.00 0.00 52.55 51.41 1kg1 s ASP 31 Cb 0.01 -1.94 -0.01 0.00 1.07 0.00 0.00 42.92 42.06 1kg1 s ASP 31 CO -0.07 -0.36 0.66 0.00 1.18 0.00 0.00 175.17 176.58 1kg1 s ARG 34 N 2.20 2.60 0.00 0.00 3.52 0.92 -0.87 118.95 127.32 1kg1 s ARG 34 Ca 0.18 -2.66 0.00 0.00 -0.13 0.00 0.00 55.73 53.12 1kg1 s ARG 34 Cb -0.16 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 1kg1 s ARG 34 CO 0.10 -1.18 0.00 0.41 -0.81 0.00 0.00 175.30 173.81 1kg1 n GLY 35 N 3.27 0.93 0.90 8.12 0.00 -1.26 -0.71 105.19 116.43 1kg1 n GLY 35 Ca 0.10 0.49 0.02 0.00 0.00 0.00 0.00 46.02 46.62 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 0.05 -3.70 1.61 2.85 -1.26 -5.01 118.16 112.70 1kg1 n LYS 36 Ca 0.00 -1.47 -0.29 0.00 -1.05 0.00 0.00 58.31 55.50 1kg1 n LYS 36 Cb 0.00 -0.33 -0.16 0.00 -0.65 0.00 0.00 35.03 33.89 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 -1.47 3.43 0.06 -5.58 0.01 0.11 -5.13 113.70 105.13 1kg1 s SER 37 Ca 0.15 -1.20 -0.10 0.00 1.31 0.00 0.00 55.95 56.11 1kg1 s SER 37 Cb 0.17 -0.65 -0.06 0.00 0.21 0.00 0.00 66.02 65.69 1kg1 s SER 37 CO -0.07 -0.37 0.38 0.00 0.41 0.00 0.00 173.24 173.59 1kg1 s ARG 38 N 1.81 3.75 -0.10 12.44 1.70 -1.26 -0.06 118.95 137.24 1kg1 s ARG 38 Ca 0.05 0.17 -0.05 0.00 -0.47 0.00 0.00 55.73 55.43 1kg1 s ARG 38 Cb -0.17 -3.03 0.05 0.00 -0.57 0.00 0.00 34.95 31.23 1kg1 s ARG 38 CO -0.19 0.59 0.24 -1.17 -1.08 0.00 0.00 175.30 173.68 1kg1 s LEU 39 N -1.79 0.39 -0.32 -1.89 0.20 -0.26 -4.97 118.68 110.04 1kg1 s LEU 39 Ca 0.31 0.51 -0.08 0.00 0.69 0.00 0.00 54.13 55.55 1kg1 s LEU 39 Cb -0.14 0.69 0.01 0.00 -0.43 0.00 0.00 46.19 46.32 1kg1 s LEU 39 CO 0.17 -0.17 0.13 -0.89 -0.29 0.00 0.00 176.35 175.30 1kg1 s THR 40 N 1.34 4.28 0.31 3.68 2.01 -1.26 0.41 115.64 126.41 1kg1 s THR 40 Ca -0.08 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 1kg1 s THR 40 Cb -0.11 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.17 1kg1 s THR 40 CO -0.08 0.01 0.53 -1.48 -0.69 0.00 0.00 174.62 172.91 1kg1 s LEU 41 N 1.54 0.55 -0.34 4.42 0.05 -0.46 -4.94 118.68 119.50 1kg1 s LEU 41 Ca 0.03 -1.20 -0.13 0.00 0.05 0.00 0.00 54.13 52.88 1kg1 s LEU 41 Cb -0.18 1.83 -0.02 0.00 -2.05 0.00 0.00 46.19 45.78 1kg1 s LEU 41 CO 0.04 -1.30 0.27 0.00 -0.55 0.00 0.00 176.35 174.81 1kg1 s SER 43 N 1.73 -1.00 0.49 0.00 1.04 -1.26 -5.06 113.70 109.64 1kg1 s SER 43 Ca 0.07 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.06 1kg1 s SER 43 Cb -0.17 1.71 0.02 0.00 0.10 0.00 0.00 66.02 67.68 1kg1 s SER 43 CO 0.11 -0.25 0.47 -0.31 0.98 0.00 0.00 173.24 174.24 1kg1 s TYR 44 N 2.20 2.10 -3.39 5.02 2.02 -1.26 -3.45 117.35 120.59 1kg1 s TYR 44 Ca 0.13 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1kg1 s TYR 44 Cb -0.08 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.38 1kg1 s TYR 44 CO -0.16 -0.44 0.00 0.41 -1.57 0.00 0.00 175.55 173.79 1kg1 n GLY 45 N -1.76 -0.57 3.01 0.71 0.00 -1.26 -4.92 105.19 100.39 1kg1 n GLY 45 Ca 0.04 -0.70 -0.48 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.00 -0.51 1.61 0.00 -1.26 -4.47 120.64 116.01 1kg1 n GLU 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1kg1 n GLU 46 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 31.44 30.30 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 1.46 -0.97 1.96 -1.84 0.00 -1.26 -4.84 105.19 99.70 1kg1 n GLY 47 Ca 0.17 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 1.41 3.28 1.89 -0.02 0.00 -1.26 -4.25 105.19 106.24 1kg1 n GLY 48 Ca 0.00 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1kg1 n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kg1 n ASN 49 N 1.66 3.89 0.00 1.61 5.15 -1.26 -4.99 115.26 121.32 1kg1 n ASN 49 Ca 0.32 -3.48 0.00 0.00 -0.60 0.00 0.00 54.58 50.82 1kg1 n ASN 49 Cb 0.70 -0.76 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 1kg1 n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kg1 n GLY 50 N -0.78 1.93 3.96 8.20 0.00 -1.26 -4.88 105.19 112.35 1kg1 n GLY 50 Ca 0.47 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 3.24 -0.43 1.61 5.36 -1.26 -4.76 117.98 121.73 1kg1 s PHE 51 Ca 0.00 0.13 0.06 0.00 -0.96 0.00 0.00 56.93 56.17 1kg1 s PHE 51 Cb 0.00 -2.16 0.22 0.00 -0.34 0.00 0.00 43.02 40.74 1kg1 s PHE 51 CO 0.00 -0.19 0.58 0.94 -1.46 0.00 0.00 175.22 175.09 1kg1 n GLN 52 N -1.92 0.57 -1.65 10.12 -0.06 -1.22 -4.91 117.38 118.31 1kg1 n GLN 52 Ca -0.00 -2.75 -0.47 0.00 -2.00 0.00 0.00 57.00 51.77 1kg1 n GLN 52 Cb 0.58 -1.41 -0.05 0.00 -4.06 0.00 0.00 30.24 25.30 1kg1 n GLN 52 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1kg1 n PRO 54 N 3.37 -1.65 -1.80 0.00 -0.04 -1.26 -4.84 135.00 128.79 1kg1 n PRO 54 Ca 0.18 -1.30 -0.42 0.00 -0.04 0.00 0.00 63.50 61.92 1kg1 n PRO 54 Cb 0.27 -1.02 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 1kg1 n PRO 54 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1kg1 s THR 55 N -2.68 2.12 0.00 0.52 -1.32 -1.26 -1.29 115.64 111.73 1kg1 s THR 55 Ca 0.50 0.10 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 1kg1 s THR 55 Cb -0.03 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.90 1kg1 s THR 55 CO 0.37 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.40 1kg1 n GLY 56 N 2.32 1.18 3.32 6.08 0.00 -1.26 -5.02 105.19 111.80 1kg1 n GLY 56 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.99 2.06 -0.10 1.61 2.02 -0.41 -4.49 117.35 115.05 1kg1 s TYR 57 Ca 0.00 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 1kg1 s TYR 57 Cb 0.00 -1.17 0.05 0.00 -0.40 0.00 0.00 41.96 40.44 1kg1 s TYR 57 CO 0.00 0.20 0.20 1.03 -1.57 0.00 0.00 175.55 175.42 1kg1 s ARG 58 N -1.64 0.11 -0.15 -0.62 0.52 -0.05 -4.49 118.95 112.63 1kg1 s ARG 58 Ca 0.10 0.59 -0.36 0.00 -0.52 0.00 0.00 55.73 55.54 1kg1 s ARG 58 Cb -0.10 -0.16 -0.17 0.00 0.52 0.00 0.00 34.95 35.04 1kg1 s ARG 58 CO 0.04 -0.26 1.07 1.04 0.02 0.00 0.00 175.30 177.22 1kg1 n GLN 59 N 4.99 0.00 0.00 3.54 6.02 -1.26 0.09 117.38 130.75 1kg1 n GLN 59 Ca -0.12 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.03 1kg1 n GLN 59 Cb 0.51 -1.28 0.94 0.00 1.02 0.00 0.00 30.24 31.43 1kg1 n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05