#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nj3 n SER 2 N 0.00 0.72 -4.79 1.61 7.64 -1.26 -4.95 113.62 112.59 1nj3 n SER 2 Ca 0.00 -0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.46 1nj3 n SER 2 Cb 0.00 0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 1nj3 n SER 2 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nj3 s THR 3 N -2.48 4.40 0.00 0.44 2.01 -1.26 -5.03 115.64 113.72 1nj3 s THR 3 Ca -0.17 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.44 1nj3 s THR 3 Cb 0.07 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1nj3 s THR 3 CO 0.74 0.39 0.00 -1.20 -0.69 0.00 0.00 174.62 173.86 1nj3 n SER 4 N 1.22 0.00 -3.65 3.53 7.64 -1.26 -5.06 113.62 116.04 1nj3 n SER 4 Ca -0.04 0.06 -0.07 0.00 1.01 0.00 0.00 58.87 59.84 1nj3 n SER 4 Cb 0.49 -0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.46 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 -4.09 -1.78 1.15 -0.43 0.00 -1.26 -5.07 121.76 110.28 1nj3 s ALA 5 Ca 0.00 2.31 -0.19 0.00 0.00 0.00 0.00 51.96 54.08 1nj3 s ALA 5 Cb 0.00 -1.38 0.27 0.00 0.00 0.00 0.00 23.12 22.01 1nj3 s ALA 5 CO 0.00 -0.39 1.18 -1.64 0.00 0.00 0.00 175.76 174.90 1nj3 s MET 6 N 1.67 -0.81 0.07 0.00 1.00 -1.26 -3.81 119.30 116.17 1nj3 s MET 6 Ca -0.10 -0.22 0.01 0.00 0.00 0.00 0.00 55.69 55.38 1nj3 s MET 6 Cb -0.06 -1.66 -0.04 0.00 0.00 0.00 0.00 34.83 33.07 1nj3 s MET 6 CO -0.19 -3.41 -0.05 1.67 0.00 0.00 0.00 175.02 173.04 1nj3 s TRP 7 N -3.27 0.72 -0.29 -0.03 1.48 0.27 -4.87 118.94 112.94 1nj3 s TRP 7 Ca 0.72 -0.94 -0.07 0.00 -1.06 0.00 0.00 56.10 54.76 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 -0.23 0.08 0.00 -4.06 0.00 0.00 176.95 173.29 1nj3 s ALA 8 N -3.54 3.08 0.86 2.67 0.00 -1.26 0.19 121.76 123.76 1nj3 s ALA 8 Ca 0.08 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 1nj3 s ALA 8 Cb 0.05 -2.14 0.11 0.00 0.00 0.00 0.00 23.12 21.14 1nj3 s ALA 8 CO -0.06 -0.84 1.10 0.00 0.00 0.00 0.00 175.76 175.96 1nj3 n GLN 10 N -3.89 2.45 0.12 0.00 3.00 -1.26 -4.04 117.38 113.76 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 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.85 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 -2.14 0.04 1.08 -0.00 -1.26 -4.89 115.22 107.10 1nj3 n HIS 11 Ca 0.31 0.38 -0.14 0.00 0.46 0.00 0.00 57.72 58.73 1nj3 n HIS 11 Cb 0.83 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 -3.35 0.00 -4.49 0.00 5.66 -1.26 -5.08 114.28 105.77 1nj3 n THR 13 Ca -0.16 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.59 1nj3 n THR 13 Cb 1.03 -1.22 -0.10 0.00 -1.55 0.00 0.00 70.33 68.49 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 -2.76 2.45 0.30 1.09 5.36 -1.26 -4.90 117.98 118.26 1nj3 s PHE 14 Ca 0.00 -0.49 -0.17 0.00 -0.96 0.00 0.00 56.93 55.31 1nj3 s PHE 14 Cb 0.00 -1.43 -0.09 0.00 -0.34 0.00 0.00 43.02 41.16 1nj3 s PHE 14 CO 0.00 0.55 0.74 1.41 -1.46 0.00 0.00 175.22 176.46 1nj3 s MET 15 N -3.65 4.09 0.01 10.12 1.75 -1.26 -2.06 119.30 128.30 1nj3 s MET 15 Ca 0.33 0.75 0.00 0.00 -1.25 0.00 0.00 55.69 55.52 1nj3 s MET 15 Cb 0.02 -2.55 -0.01 0.00 2.84 0.00 0.00 34.83 35.13 1nj3 s MET 15 CO 0.17 0.22 -0.02 1.21 -0.65 0.00 0.00 175.02 175.95 1nj3 s ASN 16 N -2.09 0.17 0.98 1.11 3.84 0.13 -4.94 114.94 114.14 1nj3 s ASN 16 Ca 0.51 -0.29 -0.11 0.00 0.21 0.00 0.00 52.86 53.18 1nj3 s ASN 16 Cb -0.12 0.05 0.18 0.00 -0.55 0.00 0.00 41.25 40.81 1nj3 s ASN 16 CO 0.18 -0.16 1.09 -1.10 -2.79 0.00 0.00 177.10 174.32 1nj3 s GLN 17 N -0.83 0.55 0.00 0.43 -1.52 -1.26 0.93 119.66 117.96 1nj3 s GLN 17 Ca -0.09 1.03 0.23 0.00 -1.95 0.00 0.00 55.36 54.58 1nj3 s GLN 17 Cb -0.06 -1.71 1.27 0.00 -0.22 0.00 0.00 33.01 32.29 1nj3 s GLN 17 CO -0.01 -2.78 1.77 -0.35 -0.25 0.00 0.00 175.29 173.67 1nj3 n PRO 18 N -4.28 0.49 -0.01 2.91 -0.04 -1.25 -3.00 135.00 129.82 1nj3 n PRO 18 Ca 0.07 0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 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 0.60 -0.62 2.76 0.55 0.00 -1.26 -4.68 105.19 102.54 1nj3 n GLY 19 Ca 0.14 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.93 5.28 -0.26 2.61 -2.24 -1.16 -4.79 114.28 111.79 1nj3 n THR 20 Ca -0.02 -5.21 0.33 0.00 -2.27 0.00 0.00 64.05 56.88 1nj3 n THR 20 Cb 0.36 -2.02 0.74 0.00 -2.10 0.00 0.00 70.33 67.31 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 5.75 0.00 0.00 3.38 0.00 -1.83 -3.32 103.07 107.04 1nj3 h GLY 21 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 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 -4.20 0.00 0.00 5.60 8.25 -1.25 0.11 115.22 123.73 1nj3 n HIS 22 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1nj3 n HIS 22 Cb 1.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.25 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 3.04 0.10 0.00 1.02 -1.26 -3.63 120.64 119.60 1nj3 n GLU 24 Ca 0.00 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.07 1nj3 n GLU 24 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 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 -0.59 0.00 -0.08 3.49 2.81 -1.26 -4.95 117.12 116.53 1nj3 n MET 25 Ca 0.46 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 56.18 1nj3 n MET 25 Cb 1.44 -0.13 -0.12 0.00 -0.71 0.00 0.00 33.22 33.70 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 -4.53 -0.12 -4.62 0.00 2.88 -1.24 -5.06 113.62 100.93 1nj3 n SER 27 Ca -0.20 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.07 1nj3 n SER 27 Cb 0.55 -0.04 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 2.79 0.67 2.46 1.43 -1.26 -4.88 118.68 119.85 1nj3 s LEU 28 Ca 0.00 -1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 51.60 1nj3 s LEU 28 Cb 0.00 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 1nj3 s LEU 28 CO 0.00 -0.49 1.06 -2.16 0.23 0.00 0.00 176.35 174.99 1nj3 s PRO 29 N -3.73 3.16 0.00 1.29 0.04 -1.26 -2.88 135.00 131.61 1nj3 s PRO 29 Ca 0.33 0.68 0.16 0.00 0.04 0.00 0.00 61.00 62.21 1nj3 s PRO 29 Cb 0.09 -2.04 0.69 0.00 0.04 0.00 0.00 34.50 33.29 1nj3 s PRO 29 CO 0.17 -0.87 1.51 -2.13 0.04 0.00 0.00 177.00 175.71 1nj3 n ARG 30 N -2.94 0.02 0.00 4.56 0.63 0.30 -4.83 116.66 114.39 1nj3 n ARG 30 Ca 0.07 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 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