#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 3.83 -0.30 1.61 0.01 -1.26 -4.78 113.70 112.80 1nj3 s SER 2 Ca 0.00 -0.04 -0.09 0.00 1.31 0.00 0.00 55.95 57.13 1nj3 s SER 2 Cb 0.00 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.84 1nj3 s SER 2 CO 0.00 -3.99 0.76 -0.89 0.41 0.00 0.00 173.24 169.53 1nj3 s THR 3 N 15.08 -0.81 0.00 1.44 2.01 -1.26 -5.15 115.64 126.95 1nj3 s THR 3 Ca 0.92 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.92 1nj3 s THR 3 Cb -0.12 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.39 1nj3 s THR 3 CO 0.09 0.00 0.00 -1.20 -0.69 0.00 0.00 174.62 172.82 1nj3 n SER 4 N 5.34 -1.30 -4.74 3.53 7.64 -1.26 -4.94 113.62 117.89 1nj3 n SER 4 Ca -0.07 -0.01 -0.40 0.00 1.01 0.00 0.00 58.87 59.40 1nj3 n SER 4 Cb 0.51 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 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 -2.02 3.32 1.16 -0.43 0.00 -1.26 -4.60 121.76 117.93 1nj3 s ALA 5 Ca 0.00 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.29 1nj3 s ALA 5 Cb 0.00 -3.17 0.27 0.00 0.00 0.00 0.00 23.12 20.22 1nj3 s ALA 5 CO 0.00 0.10 1.16 -1.33 0.00 0.00 0.00 175.76 175.68 1nj3 n MET 6 N 2.26 -2.51 -4.12 0.00 0.00 -1.26 -4.05 117.12 107.44 1nj3 n MET 6 Ca -0.01 -1.83 -0.08 0.00 0.00 0.00 0.00 57.70 55.79 1nj3 n MET 6 Cb 0.49 -1.53 -0.10 0.00 0.00 0.00 0.00 33.22 32.08 1nj3 n MET 6 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 175.97 177.64 1nj3 s TRP 7 N -3.26 0.67 -0.24 2.03 1.48 0.21 -4.89 118.94 114.95 1nj3 s TRP 7 Ca 0.71 -1.08 -0.04 0.00 -1.06 0.00 0.00 56.10 54.64 1nj3 s TRP 7 Cb -0.05 -0.44 -0.00 0.00 -1.16 0.00 0.00 33.47 31.82 1nj3 s TRP 7 CO 0.53 -0.37 -0.02 0.00 -4.06 0.00 0.00 176.95 173.03 1nj3 s ALA 8 N -3.89 2.85 0.87 2.67 0.00 -1.26 -0.42 121.76 122.57 1nj3 s ALA 8 Ca 0.12 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 1nj3 s ALA 8 Cb 0.07 -1.78 0.11 0.00 0.00 0.00 0.00 23.12 21.53 1nj3 s ALA 8 CO -0.06 -0.56 1.10 0.00 0.00 0.00 0.00 175.76 176.24 1nj3 n GLN 10 N -3.87 2.29 0.13 0.00 3.00 -1.26 -4.09 117.38 113.58 1nj3 n GLN 10 Ca 0.09 -3.60 0.00 0.00 -0.01 0.00 0.00 57.00 53.48 1nj3 n GLN 10 Cb 0.54 -1.83 0.00 0.00 0.00 0.00 0.00 30.24 28.94 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 -0.95 -2.27 0.05 1.08 -0.00 -1.26 -4.88 115.22 106.98 1nj3 n HIS 11 Ca 0.28 0.40 -0.13 0.00 0.46 0.00 0.00 57.72 58.72 1nj3 n HIS 11 Cb 0.80 0.52 -0.14 0.00 -0.12 0.00 0.00 29.99 31.05 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 -5.08 114.28 105.77 1nj3 n THR 13 Ca -0.13 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.61 1nj3 n THR 13 Cb 1.02 -1.30 -0.10 0.00 -1.55 0.00 0.00 70.33 68.41 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 -2.81 2.44 0.32 1.09 5.36 -1.26 -4.90 117.98 118.22 1nj3 s PHE 14 Ca 0.00 -0.48 -0.15 0.00 -0.96 0.00 0.00 56.93 55.34 1nj3 s PHE 14 Cb 0.00 -1.41 -0.09 0.00 -0.34 0.00 0.00 43.02 41.18 1nj3 s PHE 14 CO 0.00 0.56 0.75 1.41 -1.46 0.00 0.00 175.22 176.47 1nj3 s MET 15 N -3.64 4.02 0.02 10.12 -2.45 -1.26 -2.11 119.30 124.01 1nj3 s MET 15 Ca 0.33 0.70 0.00 0.00 -1.25 0.00 0.00 55.69 55.47 1nj3 s MET 15 Cb 0.02 -2.43 -0.02 0.00 1.25 0.00 0.00 34.83 33.64 1nj3 s MET 15 CO 0.17 0.16 -0.03 1.21 1.05 0.00 0.00 175.02 177.58 1nj3 s ASN 16 N -2.25 0.26 0.97 1.11 3.84 0.44 -4.95 114.94 114.36 1nj3 s ASN 16 Ca 0.54 -0.45 -0.11 0.00 0.21 0.00 0.00 52.86 53.05 1nj3 s ASN 16 Cb -0.10 0.08 0.17 0.00 -0.55 0.00 0.00 41.25 40.85 1nj3 s ASN 16 CO 0.17 -0.26 1.09 -1.10 -2.79 0.00 0.00 177.10 174.21 1nj3 s GLN 17 N -1.30 0.65 0.00 0.43 -1.52 -1.26 -0.62 119.66 116.04 1nj3 s GLN 17 Ca -0.14 1.02 0.23 0.00 -1.95 0.00 0.00 55.36 54.53 1nj3 s GLN 17 Cb -0.09 -1.72 1.22 0.00 -0.22 0.00 0.00 33.01 32.20 1nj3 s GLN 17 CO -0.01 -2.71 1.76 -0.35 -0.25 0.00 0.00 175.29 173.73 1nj3 n PRO 18 N -4.24 0.44 -0.01 2.91 -0.04 -1.26 -3.05 135.00 129.75 1nj3 n PRO 18 Ca 0.07 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1nj3 n PRO 18 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.61 -0.66 3.05 0.55 0.00 -1.26 -4.73 105.19 102.75 1nj3 n GLY 19 Ca 0.13 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.01 4.75 0.03 2.61 -2.24 -1.17 -4.80 114.28 111.44 1nj3 n THR 20 Ca -0.03 -5.15 0.19 0.00 -2.27 0.00 0.00 64.05 56.79 1nj3 n THR 20 Cb 0.39 -2.29 0.68 0.00 -2.10 0.00 0.00 70.33 67.01 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 7.01 0.01 0.00 3.38 0.00 -1.85 -3.35 103.07 108.27 1nj3 h GLY 21 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1nj3 h GLY 21 CO 1.40 0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.36 1nj3 n HIS 22 N -4.40 0.00 0.00 5.60 8.25 -1.25 0.11 115.22 123.53 1nj3 n HIS 22 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1nj3 n HIS 22 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 2.91 0.11 0.00 1.02 -1.26 -3.70 120.64 119.41 1nj3 n GLU 24 Ca 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 57.16 54.08 1nj3 n GLU 24 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 1nj3 n GLU 24 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1nj3 n MET 25 N -0.62 0.00 -0.07 3.49 2.81 -1.26 -4.94 117.12 116.53 1nj3 n MET 25 Ca 0.40 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 56.10 1nj3 n MET 25 Cb 1.30 -0.16 -0.13 0.00 -0.71 0.00 0.00 33.22 33.52 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 -4.38 -0.36 -4.68 0.00 2.88 -1.24 -5.06 113.62 100.79 1nj3 n SER 27 Ca -0.23 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.02 1nj3 n SER 27 Cb 0.67 -0.11 -0.09 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.13 2.73 0.77 2.46 1.43 -1.26 -4.88 118.68 119.79 1nj3 s LEU 28 Ca 0.00 -1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 51.56 1nj3 s LEU 28 Cb 0.00 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.37 1nj3 s LEU 28 CO 0.00 -0.59 1.10 -2.16 0.23 0.00 0.00 176.35 174.93 1nj3 s PRO 29 N -3.79 2.29 0.00 1.29 0.04 -1.26 -2.89 135.00 130.69 1nj3 s PRO 29 Ca 0.27 0.59 0.17 0.00 0.04 0.00 0.00 61.00 62.07 1nj3 s PRO 29 Cb 0.07 -1.95 0.77 0.00 0.04 0.00 0.00 34.50 33.43 1nj3 s PRO 29 CO 0.14 -1.46 1.52 -2.13 0.04 0.00 0.00 177.00 175.11 1nj3 n ARG 30 N -3.32 0.10 0.00 4.56 0.63 0.31 -4.78 116.66 114.16 1nj3 n ARG 30 Ca 0.07 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 1nj3 n ARG 30 Cb 0.56 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.97 1nj3 n ARG 30 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53