#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 -0.13 0.55 1.61 0.01 -1.26 -5.15 113.70 109.33 1nj3 s SER 2 Ca 0.00 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1nj3 s SER 2 Cb 0.00 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1nj3 s SER 2 CO 0.00 -1.00 0.00 0.41 0.41 0.00 0.00 173.24 173.06 1nj3 n THR 3 N -0.52 -2.52 0.00 1.44 -1.04 -1.26 -4.90 114.28 105.48 1nj3 n THR 3 Ca -0.05 1.30 0.00 0.00 -2.04 0.00 0.00 64.05 63.26 1nj3 n THR 3 Cb 0.60 -2.15 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1nj3 n THR 3 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1nj3 n SER 4 N -2.67 0.00 -3.38 8.00 7.64 -1.26 -4.97 113.62 116.98 1nj3 n SER 4 Ca -0.01 0.26 0.01 0.00 1.01 0.00 0.00 58.87 60.14 1nj3 n SER 4 Cb 0.46 -0.10 -0.03 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 -3.29 -2.05 1.07 -0.43 0.00 -1.26 -5.07 121.76 110.73 1nj3 s ALA 5 Ca 0.00 1.97 -0.16 0.00 0.00 0.00 0.00 51.96 53.77 1nj3 s ALA 5 Cb 0.00 -1.94 0.23 0.00 0.00 0.00 0.00 23.12 21.40 1nj3 s ALA 5 CO 0.00 -1.14 1.15 -1.64 0.00 0.00 0.00 175.76 174.13 1nj3 s MET 6 N 2.84 -0.18 0.08 0.00 1.00 -1.26 -3.85 119.30 117.94 1nj3 s MET 6 Ca 0.09 0.02 0.01 0.00 0.00 0.00 0.00 55.69 55.80 1nj3 s MET 6 Cb -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 34.83 32.94 1nj3 s MET 6 CO -0.19 -3.03 -0.05 1.67 0.00 0.00 0.00 175.02 173.41 1nj3 s TRP 7 N -3.22 0.75 -0.27 -0.03 1.48 0.82 -4.89 118.94 113.59 1nj3 s TRP 7 Ca 0.69 -0.96 -0.06 0.00 -1.06 0.00 0.00 56.10 54.71 1nj3 s TRP 7 Cb -0.11 -0.47 -0.00 0.00 -1.16 0.00 0.00 33.47 31.73 1nj3 s TRP 7 CO 0.55 -0.23 0.04 0.00 -4.06 0.00 0.00 176.95 173.25 1nj3 s ALA 8 N -3.70 2.99 0.88 2.67 0.00 -1.26 -0.14 121.76 123.21 1nj3 s ALA 8 Ca 0.10 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.62 1nj3 s ALA 8 Cb 0.06 -1.99 0.12 0.00 0.00 0.00 0.00 23.12 21.30 1nj3 s ALA 8 CO -0.07 -0.72 1.10 0.00 0.00 0.00 0.00 175.76 176.07 1nj3 n GLN 10 N -3.93 2.34 0.13 0.00 3.00 -1.26 -4.08 117.38 113.58 1nj3 n GLN 10 Ca 0.09 -3.62 0.00 0.00 -0.01 0.00 0.00 57.00 53.45 1nj3 n GLN 10 Cb 0.54 -1.87 0.00 0.00 0.00 0.00 0.00 30.24 28.91 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 -0.97 -2.19 0.05 1.08 -0.00 -1.26 -4.88 115.22 107.04 1nj3 n HIS 11 Ca 0.28 0.39 -0.14 0.00 0.46 0.00 0.00 57.72 58.71 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 -3.38 0.00 -4.50 0.00 5.66 -1.26 -5.08 114.28 105.73 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 2.44 0.33 1.09 5.36 -1.26 -4.90 117.98 118.25 1nj3 s PHE 14 Ca 0.00 -0.49 -0.15 0.00 -0.96 0.00 0.00 56.93 55.33 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 4.00 0.02 10.12 1.75 -1.26 -2.08 119.30 128.21 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 0.02 -2.42 -0.02 0.00 2.84 0.00 0.00 34.83 35.26 1nj3 s MET 15 CO 0.17 0.14 -0.03 1.21 -0.65 0.00 0.00 175.02 175.87 1nj3 s ASN 16 N -2.30 0.23 0.94 1.11 3.84 0.80 -4.94 114.94 114.63 1nj3 s ASN 16 Ca 0.54 -0.40 -0.11 0.00 0.21 0.00 0.00 52.86 53.10 1nj3 s ASN 16 Cb -0.10 0.08 0.16 0.00 -0.55 0.00 0.00 41.25 40.83 1nj3 s ASN 16 CO 0.18 -0.23 1.09 -1.10 -2.79 0.00 0.00 177.10 174.25 1nj3 s GLN 17 N -1.17 0.84 0.00 0.43 -1.52 -1.26 -0.12 119.66 116.85 1nj3 s GLN 17 Ca -0.12 1.06 0.22 0.00 -1.95 0.00 0.00 55.36 54.56 1nj3 s GLN 17 Cb -0.08 -1.74 1.15 0.00 -0.22 0.00 0.00 33.01 32.12 1nj3 s GLN 17 CO -0.01 -2.60 1.70 -0.35 -0.25 0.00 0.00 175.29 173.78 1nj3 n PRO 18 N -4.16 0.40 -0.01 2.91 -0.04 -1.25 -2.96 135.00 129.90 1nj3 n PRO 18 Ca 0.08 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 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 0.50 -0.66 3.16 0.55 0.00 -1.26 -4.74 105.19 102.75 1nj3 n GLY 19 Ca 0.12 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.98 4.66 0.13 2.61 -2.24 -1.15 -4.81 114.28 111.49 1nj3 n THR 20 Ca -0.02 -5.14 0.15 0.00 -2.27 0.00 0.00 64.05 56.76 1nj3 n THR 20 Cb 0.38 -2.36 0.68 0.00 -2.10 0.00 0.00 70.33 66.92 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 7.32 0.00 0.00 3.38 0.00 -1.85 -3.36 103.07 108.57 1nj3 h GLY 21 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1nj3 h GLY 21 CO 1.31 0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.27 1nj3 n HIS 22 N -4.42 0.00 0.00 5.60 8.25 -1.25 0.28 115.22 123.68 1nj3 n HIS 22 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1nj3 n HIS 22 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.30 3.05 0.09 0.00 -0.58 -1.26 -3.79 120.64 117.85 1nj3 n GLU 24 Ca 0.00 -3.06 0.00 0.00 -0.42 0.00 0.00 57.16 53.68 1nj3 n GLU 24 Cb 0.00 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 28.79 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 -0.53 0.00 -0.08 3.49 2.81 -1.26 -4.95 117.12 116.60 1nj3 n MET 25 Ca 0.39 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 56.13 1nj3 n MET 25 Cb 1.28 -0.13 -0.11 0.00 -0.71 0.00 0.00 33.22 33.56 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 -4.57 -0.10 -4.59 0.00 2.88 -1.25 -5.05 113.62 100.94 1nj3 n SER 27 Ca -0.16 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.11 1nj3 n SER 27 Cb 0.49 -0.03 -0.11 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.04 2.76 0.57 2.46 1.43 -1.26 -4.87 118.68 119.74 1nj3 s LEU 28 Ca 0.00 -1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 51.61 1nj3 s LEU 28 Cb 0.00 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.33 1nj3 s LEU 28 CO 0.00 -0.45 1.00 -2.16 0.23 0.00 0.00 176.35 174.97 1nj3 s PRO 29 N -3.73 3.76 0.00 1.29 0.04 -1.26 -2.97 135.00 132.12 1nj3 s PRO 29 Ca 0.35 0.83 0.17 0.00 0.04 0.00 0.00 61.00 62.39 1nj3 s PRO 29 Cb 0.09 -2.11 0.73 0.00 0.04 0.00 0.00 34.50 33.25 1nj3 s PRO 29 CO 0.17 -0.43 1.52 -2.13 0.04 0.00 0.00 177.00 176.18 1nj3 n ARG 30 N -2.21 0.04 0.00 4.56 0.63 0.14 -4.87 116.66 114.95 1nj3 n ARG 30 Ca 0.06 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1nj3 n ARG 30 Cb 0.54 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1nj3 n ARG 30 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53