#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 6.78 -0.06 1.61 1.04 -1.26 -4.99 113.70 116.82 1nj3 s SER 2 Ca 0.00 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.41 1nj3 s SER 2 Cb 0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 1nj3 s SER 2 CO 0.00 0.15 -0.05 1.07 0.98 0.00 0.00 173.24 175.39 1nj3 n THR 3 N 0.97 0.32 0.00 2.02 5.66 -1.26 -5.04 114.28 116.96 1nj3 n THR 3 Ca -0.07 -0.12 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1nj3 n THR 3 Cb 0.52 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 1nj3 n THR 3 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1nj3 n SER 4 N -2.73 0.00 -3.18 1.09 2.88 -1.26 -5.11 113.62 105.31 1nj3 n SER 4 Ca -0.10 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.46 1nj3 n SER 4 Cb 0.60 0.16 -0.01 0.00 -0.75 0.00 0.00 64.21 64.21 1nj3 n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nj3 s ALA 5 N -1.63 -2.16 1.00 -1.46 0.00 -1.26 -5.06 121.76 111.18 1nj3 s ALA 5 Ca 0.00 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 1nj3 s ALA 5 Cb 0.00 -2.40 0.19 0.00 0.00 0.00 0.00 23.12 20.91 1nj3 s ALA 5 CO 0.00 -1.73 1.13 -1.64 0.00 0.00 0.00 175.76 173.52 1nj3 s MET 6 N 2.78 0.44 0.10 0.00 1.00 -1.26 -3.58 119.30 118.78 1nj3 s MET 6 Ca 0.12 0.24 0.02 0.00 0.00 0.00 0.00 55.69 56.06 1nj3 s MET 6 Cb -0.11 -1.76 -0.04 0.00 0.00 0.00 0.00 34.83 32.91 1nj3 s MET 6 CO -0.26 -2.66 -0.07 1.67 0.00 0.00 0.00 175.02 173.70 1nj3 s TRP 7 N -3.18 0.89 -0.31 -0.03 1.48 0.57 -4.89 118.94 113.47 1nj3 s TRP 7 Ca 0.66 -0.89 -0.09 0.00 -1.06 0.00 0.00 56.10 54.72 1nj3 s TRP 7 Cb -0.14 -0.52 0.00 0.00 -1.16 0.00 0.00 33.47 31.65 1nj3 s TRP 7 CO 0.55 -0.14 0.13 0.00 -4.06 0.00 0.00 176.95 173.43 1nj3 s ALA 8 N -3.53 3.19 0.87 2.67 0.00 -1.26 -0.36 121.76 123.34 1nj3 s ALA 8 Ca 0.11 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.51 1nj3 s ALA 8 Cb 0.05 -2.31 0.12 0.00 0.00 0.00 0.00 23.12 20.97 1nj3 s ALA 8 CO -0.04 -0.96 1.11 0.00 0.00 0.00 0.00 175.76 175.86 1nj3 n GLN 10 N -3.92 2.47 0.12 0.00 3.00 -1.26 -4.03 117.38 113.75 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 -1.93 0.00 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.03 0.04 1.08 -0.00 -1.26 -4.89 115.22 107.20 1nj3 n HIS 11 Ca 0.32 0.36 -0.15 0.00 0.46 0.00 0.00 57.72 58.71 1nj3 n HIS 11 Cb 0.84 0.53 -0.14 0.00 -0.12 0.00 0.00 29.99 31.10 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 -4.55 0.00 5.66 -1.26 -5.08 114.28 105.69 1nj3 n THR 13 Ca -0.17 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.56 1nj3 n THR 13 Cb 1.04 -1.08 -0.11 0.00 -1.55 0.00 0.00 70.33 68.63 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 -2.64 2.41 0.35 1.09 5.36 -1.26 -4.89 117.98 118.39 1nj3 s PHE 14 Ca 0.00 -0.52 -0.15 0.00 -0.96 0.00 0.00 56.93 55.30 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 0.56 0.76 1.41 -1.46 0.00 0.00 175.22 176.50 1nj3 s MET 15 N -3.62 3.98 0.03 10.12 1.75 -1.26 -2.05 119.30 128.25 1nj3 s MET 15 Ca 0.33 0.68 0.00 0.00 -1.25 0.00 0.00 55.69 55.45 1nj3 s MET 15 Cb 0.03 -2.40 -0.02 0.00 2.84 0.00 0.00 34.83 35.28 1nj3 s MET 15 CO 0.17 0.10 -0.03 1.21 -0.65 0.00 0.00 175.02 175.82 1nj3 s ASN 16 N -2.42 0.32 0.92 1.11 3.84 0.52 -4.93 114.94 114.29 1nj3 s ASN 16 Ca 0.54 -0.56 -0.11 0.00 0.21 0.00 0.00 52.86 52.94 1nj3 s ASN 16 Cb -0.10 0.11 0.14 0.00 -0.55 0.00 0.00 41.25 40.85 1nj3 s ASN 16 CO 0.19 -0.33 1.10 -1.10 -2.79 0.00 0.00 177.10 174.18 1nj3 s GLN 17 N -1.77 1.05 0.00 0.43 -1.52 -1.26 -0.31 119.66 116.28 1nj3 s GLN 17 Ca -0.13 1.19 0.19 0.00 -1.95 0.00 0.00 55.36 54.66 1nj3 s GLN 17 Cb -0.08 -1.76 0.86 0.00 -0.22 0.00 0.00 33.01 31.82 1nj3 s GLN 17 CO -0.02 -2.49 1.60 -0.35 -0.25 0.00 0.00 175.29 173.78 1nj3 n PRO 18 N -4.10 0.10 -0.00 2.91 -0.04 -1.23 -2.85 135.00 129.78 1nj3 n PRO 18 Ca 0.09 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 1nj3 n PRO 18 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.40 -0.26 2.55 0.55 0.00 -1.26 -4.68 105.19 102.50 1nj3 n GLY 19 Ca 0.06 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.52 5.56 -0.45 2.61 -2.24 -1.13 -4.77 114.28 112.34 1nj3 n THR 20 Ca 0.00 -4.96 0.41 0.00 -2.27 0.00 0.00 64.05 57.23 1nj3 n THR 20 Cb 0.23 -1.88 0.76 0.00 -2.10 0.00 0.00 70.33 67.34 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 5.10 0.09 0.00 3.38 0.00 -1.83 -3.30 103.07 106.50 1nj3 h GLY 21 Ca 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1nj3 h GLY 21 CO 1.37 -0.02 0.00 1.42 0.00 0.00 0.00 176.54 179.31 1nj3 n HIS 22 N -4.14 0.00 0.00 5.60 8.25 -1.25 0.12 115.22 123.80 1nj3 n HIS 22 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1nj3 n HIS 22 Cb 1.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.59 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 -0.26 3.04 0.10 0.00 1.02 -1.26 -3.84 120.64 119.44 1nj3 n GLU 24 Ca 0.00 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 1nj3 n GLU 24 Cb 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1nj3 n GLU 24 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1nj3 n MET 25 N -0.51 0.00 -0.08 3.49 1.56 -1.26 -4.94 117.12 115.38 1nj3 n MET 25 Ca 0.35 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.60 1nj3 n MET 25 Cb 1.19 -0.16 -0.12 0.00 2.15 0.00 0.00 33.22 36.27 1nj3 n MET 25 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1nj3 n SER 27 N -4.52 -0.32 -4.66 0.00 2.88 -1.25 -5.06 113.62 100.68 1nj3 n SER 27 Ca -0.19 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.07 1nj3 n SER 27 Cb 0.57 -0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 63.83 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 -0.12 2.84 0.71 2.46 1.43 -1.26 -4.88 118.68 119.85 1nj3 s LEU 28 Ca 0.00 -1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 51.63 1nj3 s LEU 28 Cb 0.00 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1nj3 s LEU 28 CO 0.00 -0.52 1.08 -2.16 0.23 0.00 0.00 176.35 174.97 1nj3 s PRO 29 N -3.77 2.86 0.00 1.29 0.04 -1.26 -2.96 135.00 131.20 1nj3 s PRO 29 Ca 0.32 0.62 0.16 0.00 0.04 0.00 0.00 61.00 62.14 1nj3 s PRO 29 Cb 0.08 -2.01 0.73 0.00 0.04 0.00 0.00 34.50 33.34 1nj3 s PRO 29 CO 0.17 -1.07 1.52 -2.13 0.04 0.00 0.00 177.00 175.53 1nj3 n ARG 30 N -3.06 0.05 0.00 4.56 0.63 0.32 -4.80 116.66 114.37 1nj3 n ARG 30 Ca 0.07 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 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