#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nj3 s SER 2 N 0.00 7.13 -0.22 1.61 0.01 -1.26 -5.00 113.70 115.96 1nj3 s SER 2 Ca 0.00 1.50 -0.27 0.00 1.31 0.00 0.00 55.95 58.50 1nj3 s SER 2 Cb 0.00 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.78 1nj3 s SER 2 CO 0.00 -0.60 0.85 -0.89 0.41 0.00 0.00 173.24 173.01 1nj3 s THR 3 N 2.75 0.00 0.00 1.44 2.01 -1.26 -5.11 115.64 115.47 1nj3 s THR 3 Ca 0.48 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1nj3 s THR 3 Cb -0.18 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.33 1nj3 s THR 3 CO 0.12 0.00 0.00 -1.20 -0.69 0.00 0.00 174.62 172.85 1nj3 n SER 4 N 1.96 0.00 -3.65 3.53 7.64 -1.26 -5.03 113.62 116.81 1nj3 n SER 4 Ca -0.14 0.13 -0.04 0.00 1.01 0.00 0.00 58.87 59.83 1nj3 n SER 4 Cb 0.56 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 1nj3 n SER 4 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nj3 s ALA 5 N -3.81 -1.85 1.15 -0.43 0.00 -1.26 -5.08 121.76 110.47 1nj3 s ALA 5 Ca 0.00 2.23 -0.19 0.00 0.00 0.00 0.00 51.96 54.00 1nj3 s ALA 5 Cb 0.00 -1.60 0.27 0.00 0.00 0.00 0.00 23.12 21.79 1nj3 s ALA 5 CO 0.00 -0.75 1.18 -1.64 0.00 0.00 0.00 175.76 174.55 1nj3 s MET 6 N 2.50 -0.86 0.07 0.00 1.00 -1.26 -3.95 119.30 116.80 1nj3 s MET 6 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 55.69 55.39 1nj3 s MET 6 Cb -0.10 -1.65 -0.04 0.00 0.00 0.00 0.00 34.83 33.03 1nj3 s MET 6 CO -0.18 -3.44 -0.04 1.67 0.00 0.00 0.00 175.02 173.03 1nj3 s TRP 7 N -3.28 0.69 -0.25 -0.03 1.48 0.99 -4.88 118.94 113.65 1nj3 s TRP 7 Ca 0.73 -1.02 -0.05 0.00 -1.06 0.00 0.00 56.10 54.70 1nj3 s TRP 7 Cb -0.07 -0.45 -0.00 0.00 -1.16 0.00 0.00 33.47 31.79 1nj3 s TRP 7 CO 0.55 -0.30 0.02 0.00 -4.06 0.00 0.00 176.95 173.16 1nj3 s ALA 8 N -3.81 2.94 0.86 2.67 0.00 -1.26 -0.18 121.76 122.99 1nj3 s ALA 8 Ca 0.10 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 1nj3 s ALA 8 Cb 0.07 -1.92 0.11 0.00 0.00 0.00 0.00 23.12 21.38 1nj3 s ALA 8 CO -0.07 -0.66 1.10 0.00 0.00 0.00 0.00 175.76 176.13 1nj3 n GLN 10 N -3.87 2.38 0.13 0.00 3.00 -1.26 -4.07 117.38 113.69 1nj3 n GLN 10 Ca 0.09 -3.64 0.00 0.00 -0.01 0.00 0.00 57.00 53.44 1nj3 n GLN 10 Cb 0.53 -1.88 0.00 0.00 0.00 0.00 0.00 30.24 28.89 1nj3 n GLN 10 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1nj3 n HIS 11 N -0.96 -2.21 0.04 1.08 -0.00 -1.26 -4.88 115.22 107.03 1nj3 n HIS 11 Ca 0.29 0.39 -0.14 0.00 0.46 0.00 0.00 57.72 58.72 1nj3 n HIS 11 Cb 0.80 0.53 -0.14 0.00 -0.12 0.00 0.00 29.99 31.06 1nj3 n HIS 11 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1nj3 n THR 13 N -3.36 0.00 -4.48 0.00 5.66 -1.26 -5.08 114.28 105.76 1nj3 n THR 13 Ca -0.14 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.60 1nj3 n THR 13 Cb 1.03 -1.27 -0.10 0.00 -1.55 0.00 0.00 70.33 68.44 1nj3 n THR 13 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1nj3 s PHE 14 N -2.79 2.45 0.31 1.09 5.36 -1.26 -4.90 117.98 118.24 1nj3 s PHE 14 Ca 0.00 -0.48 -0.16 0.00 -0.96 0.00 0.00 56.93 55.33 1nj3 s PHE 14 Cb 0.00 -1.42 -0.09 0.00 -0.34 0.00 0.00 43.02 41.17 1nj3 s PHE 14 CO 0.00 0.55 0.74 1.41 -1.46 0.00 0.00 175.22 176.47 1nj3 s MET 15 N -3.64 4.06 0.02 10.12 1.75 -1.26 -2.09 119.30 128.25 1nj3 s MET 15 Ca 0.33 0.72 0.00 0.00 -1.25 0.00 0.00 55.69 55.50 1nj3 s MET 15 Cb 0.02 -2.49 -0.01 0.00 2.84 0.00 0.00 34.83 35.18 1nj3 s MET 15 CO 0.17 0.19 -0.03 1.21 -0.65 0.00 0.00 175.02 175.91 1nj3 s ASN 16 N -2.17 0.23 0.99 1.11 3.84 0.75 -4.95 114.94 114.74 1nj3 s ASN 16 Ca 0.53 -0.36 -0.12 0.00 0.21 0.00 0.00 52.86 53.12 1nj3 s ASN 16 Cb -0.11 0.07 0.18 0.00 -0.55 0.00 0.00 41.25 40.84 1nj3 s ASN 16 CO 0.18 -0.21 1.08 -1.10 -2.79 0.00 0.00 177.10 174.26 1nj3 s GLN 17 N -1.06 0.49 0.00 0.43 -1.52 -1.26 -0.01 119.66 116.73 1nj3 s GLN 17 Ca -0.11 0.96 0.24 0.00 -1.95 0.00 0.00 55.36 54.50 1nj3 s GLN 17 Cb -0.07 -1.71 1.29 0.00 -0.22 0.00 0.00 33.01 32.30 1nj3 s GLN 17 CO -0.01 -2.81 1.80 -0.35 -0.25 0.00 0.00 175.29 173.67 1nj3 n PRO 18 N -4.29 0.50 -0.01 2.91 -0.04 -1.25 -3.06 135.00 129.75 1nj3 n PRO 18 Ca 0.07 0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1nj3 n PRO 18 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1nj3 n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nj3 n GLY 19 N 0.65 -0.57 2.80 0.55 0.00 -1.26 -4.70 105.19 102.66 1nj3 n GLY 19 Ca 0.14 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1nj3 n GLY 19 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nj3 n THR 20 N -1.89 5.18 -0.21 2.61 -2.24 -1.17 -4.79 114.28 111.77 1nj3 n THR 20 Ca -0.02 -5.22 0.30 0.00 -2.27 0.00 0.00 64.05 56.85 1nj3 n THR 20 Cb 0.33 -2.06 0.73 0.00 -2.10 0.00 0.00 70.33 67.23 1nj3 n THR 20 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1nj3 h GLY 21 N 5.95 0.01 0.00 3.38 0.00 -1.84 -3.33 103.07 107.24 1nj3 h GLY 21 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1nj3 h GLY 21 CO 1.42 -0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.38 1nj3 n HIS 22 N -4.25 0.00 0.00 5.60 8.25 -1.25 0.11 115.22 123.68 1nj3 n HIS 22 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1nj3 n HIS 22 Cb 1.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.13 1nj3 n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nj3 n GLU 24 N -0.31 2.98 0.10 0.00 -0.58 -1.26 -3.65 120.64 117.92 1nj3 n GLU 24 Ca 0.00 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.67 1nj3 n GLU 24 Cb 0.00 -2.13 0.00 0.00 -0.57 0.00 0.00 31.44 28.74 1nj3 n GLU 24 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1nj3 n MET 25 N -0.61 0.00 -0.08 3.49 2.81 -1.26 -4.95 117.12 116.52 1nj3 n MET 25 Ca 0.44 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 56.15 1nj3 n MET 25 Cb 1.40 -0.14 -0.12 0.00 -0.71 0.00 0.00 33.22 33.64 1nj3 n MET 25 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nj3 n SER 27 N -4.49 -0.26 -4.67 0.00 2.88 -1.24 -5.06 113.62 100.79 1nj3 n SER 27 Ca -0.22 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.05 1nj3 n SER 27 Cb 0.60 -0.08 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 1nj3 n SER 27 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1nj3 s LEU 28 N -0.10 2.88 0.68 2.46 1.43 -1.26 -4.88 118.68 119.89 1nj3 s LEU 28 Ca 0.00 -1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 51.67 1nj3 s LEU 28 Cb 0.00 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1nj3 s LEU 28 CO 0.00 -0.53 1.07 -2.16 0.23 0.00 0.00 176.35 174.96 1nj3 s PRO 29 N -3.79 3.04 0.00 1.29 0.04 -1.26 -2.94 135.00 131.38 1nj3 s PRO 29 Ca 0.34 0.66 0.16 0.00 0.04 0.00 0.00 61.00 62.20 1nj3 s PRO 29 Cb 0.07 -2.02 0.72 0.00 0.04 0.00 0.00 34.50 33.31 1nj3 s PRO 29 CO 0.18 -0.95 1.51 -2.13 0.04 0.00 0.00 177.00 175.65 1nj3 n ARG 30 N -2.99 0.04 0.00 4.56 0.63 0.29 -4.80 116.66 114.40 1nj3 n ARG 30 Ca 0.07 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1nj3 n ARG 30 Cb 0.55 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1nj3 n ARG 30 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53