#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 -5.66 -1.87 1.61 2.88 -1.26 -5.05 113.62 104.27 1nj3 n SER 2 Ca 0.00 1.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 1nj3 n SER 2 Cb 0.00 -5.21 0.00 0.00 -0.75 0.00 0.00 64.21 58.25 1nj3 n SER 2 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1nj3 n THR 3 N 0.97 0.00 0.00 2.46 5.66 -1.26 -5.08 114.28 117.03 1nj3 n THR 3 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1nj3 n THR 3 Cb 0.19 -1.41 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 1nj3 n THR 3 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1nj3 n SER 4 N -2.47 0.00 -3.21 1.09 7.64 -1.26 -4.98 113.62 110.43 1nj3 n SER 4 Ca 0.00 0.15 0.02 0.00 1.01 0.00 0.00 58.87 60.05 1nj3 n SER 4 Cb 0.00 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 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 -3.45 -2.14 1.05 -0.43 0.00 -1.26 -5.07 121.76 110.46 1nj3 s ALA 5 Ca 0.00 1.81 -0.15 0.00 0.00 0.00 0.00 51.96 53.61 1nj3 s ALA 5 Cb 0.00 -2.09 0.22 0.00 0.00 0.00 0.00 23.12 21.24 1nj3 s ALA 5 CO 0.00 -1.29 1.14 -1.64 0.00 0.00 0.00 175.76 173.97 1nj3 s MET 6 N 2.84 -0.02 0.09 0.00 1.00 -1.26 -3.85 119.30 118.10 1nj3 s MET 6 Ca 0.18 0.10 0.01 0.00 0.00 0.00 0.00 55.69 55.98 1nj3 s MET 6 Cb -0.15 -1.72 -0.04 0.00 0.00 0.00 0.00 34.83 32.92 1nj3 s MET 6 CO -0.20 -2.94 -0.04 1.67 0.00 0.00 0.00 175.02 173.50 1nj3 s TRP 7 N -3.19 0.80 -0.25 -0.03 1.48 0.10 -4.89 118.94 112.97 1nj3 s TRP 7 Ca 0.68 -0.99 -0.05 0.00 -1.06 0.00 0.00 56.10 54.69 1nj3 s TRP 7 Cb -0.12 -0.49 0.00 0.00 -1.16 0.00 0.00 33.47 31.70 1nj3 s TRP 7 CO 0.55 -0.25 0.01 0.00 -4.06 0.00 0.00 176.95 173.20 1nj3 s ALA 8 N -3.74 2.91 0.89 2.67 0.00 -1.26 -0.02 121.76 123.21 1nj3 s ALA 8 Ca 0.12 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 1nj3 s ALA 8 Cb 0.06 -1.89 0.13 0.00 0.00 0.00 0.00 23.12 21.43 1nj3 s ALA 8 CO -0.05 -0.69 1.10 0.00 0.00 0.00 0.00 175.76 176.12 1nj3 n GLN 10 N -3.99 2.27 0.14 0.00 3.00 -1.26 -4.04 117.38 113.50 1nj3 n GLN 10 Ca 0.08 -3.59 0.00 0.00 -0.01 0.00 0.00 57.00 53.48 1nj3 n GLN 10 Cb 0.54 -1.84 0.00 0.00 0.00 0.00 0.00 30.24 28.93 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 -0.98 -2.35 0.05 1.08 -0.00 -1.26 -4.87 115.22 106.89 1nj3 n HIS 11 Ca 0.28 0.41 -0.04 0.00 0.46 0.00 0.00 57.72 58.83 1nj3 n HIS 11 Cb 0.79 0.53 -0.09 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 -3.14 -1.25 -4.53 0.00 -2.24 -1.26 -5.06 114.28 96.80 1nj3 n THR 13 Ca -0.06 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 1nj3 n THR 13 Cb 0.91 -2.58 -0.11 0.00 -2.10 0.00 0.00 70.33 66.46 1nj3 n THR 13 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1nj3 s PHE 14 N -3.11 2.31 0.30 4.78 5.36 -1.26 -4.90 117.98 121.45 1nj3 s PHE 14 Ca 0.15 -0.58 -0.16 0.00 -0.96 0.00 0.00 56.93 55.38 1nj3 s PHE 14 Cb -0.07 -1.38 -0.09 0.00 -0.34 0.00 0.00 43.02 41.14 1nj3 s PHE 14 CO 0.25 0.48 0.74 1.41 -1.46 0.00 0.00 175.22 176.64 1nj3 s MET 15 N -3.66 4.08 0.01 10.12 -2.45 -1.26 -1.97 119.30 124.18 1nj3 s MET 15 Ca 0.32 0.74 0.00 0.00 -1.25 0.00 0.00 55.69 55.51 1nj3 s MET 15 Cb 0.04 -2.56 -0.01 0.00 1.25 0.00 0.00 34.83 33.55 1nj3 s MET 15 CO 0.16 0.22 -0.02 1.21 1.05 0.00 0.00 175.02 177.63 1nj3 s ASN 16 N -2.09 0.22 0.96 1.11 3.84 0.98 -4.95 114.94 115.00 1nj3 s ASN 16 Ca 0.51 -0.34 -0.11 0.00 0.21 0.00 0.00 52.86 53.12 1nj3 s ASN 16 Cb -0.12 0.06 0.16 0.00 -0.55 0.00 0.00 41.25 40.81 1nj3 s ASN 16 CO 0.18 -0.20 1.09 -1.10 -2.79 0.00 0.00 177.10 174.29 1nj3 s GLN 17 N -1.00 0.75 0.00 0.43 -1.52 -1.26 0.00 119.66 117.07 1nj3 s GLN 17 Ca -0.10 1.01 0.22 0.00 -1.95 0.00 0.00 55.36 54.54 1nj3 s GLN 17 Cb -0.07 -1.74 1.20 0.00 -0.22 0.00 0.00 33.01 32.18 1nj3 s GLN 17 CO -0.01 -2.64 1.72 -0.35 -0.25 0.00 0.00 175.29 173.76 1nj3 n PRO 18 N -4.18 0.45 -0.00 2.91 -0.04 -1.25 -3.00 135.00 129.89 1nj3 n PRO 18 Ca 0.07 0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 1nj3 n PRO 18 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.52 -0.52 2.85 0.55 0.00 -1.26 -4.71 105.19 102.61 1nj3 n GLY 19 Ca 0.13 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.83 5.09 -0.18 2.61 -2.24 -1.16 -4.79 114.28 111.78 1nj3 n THR 20 Ca -0.01 -5.23 0.29 0.00 -2.27 0.00 0.00 64.05 56.82 1nj3 n THR 20 Cb 0.31 -2.11 0.72 0.00 -2.10 0.00 0.00 70.33 67.16 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 6.13 0.01 0.00 3.38 0.00 -1.84 -3.33 103.07 107.41 1nj3 h GLY 21 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1nj3 h GLY 21 CO 1.44 -0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.40 1nj3 n HIS 22 N -4.27 0.00 0.00 5.60 8.25 -1.25 0.10 115.22 123.65 1nj3 n HIS 22 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1nj3 n HIS 22 Cb 0.97 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.08 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 3.12 0.08 0.00 -0.58 -1.26 -3.62 120.64 118.07 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 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 28.68 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 -0.56 0.00 -0.07 3.49 2.81 -1.26 -4.95 117.12 116.58 1nj3 n MET 25 Ca 0.48 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 56.21 1nj3 n MET 25 Cb 1.49 -0.09 -0.13 0.00 -0.71 0.00 0.00 33.22 33.78 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 -4.56 -0.22 -4.61 0.00 2.88 -1.24 -5.06 113.62 100.82 1nj3 n SER 27 Ca -0.14 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.12 1nj3 n SER 27 Cb 0.53 -0.07 -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 -0.08 2.75 0.66 2.46 1.43 -1.26 -4.88 118.68 119.77 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 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 1nj3 s LEU 28 CO 0.00 -0.50 1.06 -2.16 0.23 0.00 0.00 176.35 174.98 1nj3 s PRO 29 N -3.74 3.21 0.00 1.29 0.04 -1.26 -2.88 135.00 131.66 1nj3 s PRO 29 Ca 0.33 0.70 0.16 0.00 0.04 0.00 0.00 61.00 62.23 1nj3 s PRO 29 Cb 0.09 -2.04 0.69 0.00 0.04 0.00 0.00 34.50 33.28 1nj3 s PRO 29 CO 0.17 -0.83 1.51 -2.13 0.04 0.00 0.00 177.00 175.75 1nj3 n ARG 30 N -2.92 0.01 0.00 4.56 0.63 0.29 -4.83 116.66 114.40 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