#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 0.12 -1.94 1.61 7.64 -1.26 -5.10 113.62 114.69 1nj3 n SER 2 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1nj3 n SER 2 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1nj3 n SER 2 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nj3 n THR 3 N -2.41-12.60 0.00 0.44 -1.04 -1.26 -4.94 114.28 92.48 1nj3 n THR 3 Ca -0.00 3.12 0.00 0.00 -2.04 0.00 0.00 64.05 65.13 1nj3 n THR 3 Cb 0.02 -5.29 0.00 0.00 -1.82 0.00 0.00 70.33 63.24 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 1.73 0.00 -3.62 8.00 7.64 -1.26 -4.89 113.62 121.22 1nj3 n SER 4 Ca 0.00 0.69 -0.02 0.00 1.01 0.00 0.00 58.87 60.55 1nj3 n SER 4 Cb 0.00 -0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 62.96 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 -2.38 -1.90 1.13 -0.43 0.00 -1.26 -5.08 121.76 111.83 1nj3 s ALA 5 Ca 0.00 2.16 -0.18 0.00 0.00 0.00 0.00 51.96 53.94 1nj3 s ALA 5 Cb 0.00 -1.72 0.26 0.00 0.00 0.00 0.00 23.12 21.66 1nj3 s ALA 5 CO 0.00 -0.93 1.19 -1.64 0.00 0.00 0.00 175.76 174.38 1nj3 s MET 6 N 2.85 -0.66 0.08 0.00 1.00 -1.26 -3.99 119.30 117.33 1nj3 s MET 6 Ca -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 55.69 55.44 1nj3 s MET 6 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 34.83 32.99 1nj3 s MET 6 CO -0.18 -3.31 -0.02 1.67 0.00 0.00 0.00 175.02 173.18 1nj3 s TRP 7 N -3.32 0.72 -0.26 -0.03 1.48 -0.47 -4.89 118.94 112.17 1nj3 s TRP 7 Ca 0.72 -1.06 -0.06 0.00 -1.06 0.00 0.00 56.10 54.65 1nj3 s TRP 7 Cb -0.07 -0.46 -0.00 0.00 -1.16 0.00 0.00 33.47 31.78 1nj3 s TRP 7 CO 0.55 -0.34 0.03 0.00 -4.06 0.00 0.00 176.95 173.14 1nj3 s ALA 8 N -3.85 2.98 0.88 2.67 0.00 -1.26 -0.77 121.76 122.41 1nj3 s ALA 8 Ca 0.12 -1.32 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 1nj3 s ALA 8 Cb 0.07 -1.98 0.12 0.00 0.00 0.00 0.00 23.12 21.34 1nj3 s ALA 8 CO -0.06 -0.70 1.10 0.00 0.00 0.00 0.00 175.76 176.10 1nj3 n GLN 10 N -3.93 2.36 0.13 0.00 3.00 -1.26 -4.07 117.38 113.60 1nj3 n GLN 10 Ca 0.09 -3.63 0.00 0.00 -0.01 0.00 0.00 57.00 53.44 1nj3 n GLN 10 Cb 0.53 -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 -2.15 0.04 1.08 -0.00 -1.26 -4.88 115.22 107.08 1nj3 n HIS 11 Ca 0.28 0.38 -0.14 0.00 0.46 0.00 0.00 57.72 58.70 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 -3.37 0.00 -4.55 0.00 5.66 -1.26 -5.08 114.28 105.69 1nj3 n THR 13 Ca -0.15 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.59 1nj3 n THR 13 Cb 1.03 -1.18 -0.11 0.00 -1.55 0.00 0.00 70.33 68.52 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 -2.72 2.39 0.36 1.09 5.36 -1.26 -4.89 117.98 118.31 1nj3 s PHE 14 Ca 0.00 -0.54 -0.14 0.00 -0.96 0.00 0.00 56.93 55.29 1nj3 s PHE 14 Cb 0.00 -1.42 -0.08 0.00 -0.34 0.00 0.00 43.02 41.18 1nj3 s PHE 14 CO 0.00 0.54 0.77 1.41 -1.46 0.00 0.00 175.22 176.48 1nj3 s MET 15 N -3.63 3.95 0.03 10.12 1.75 -1.26 -2.08 119.30 128.18 1nj3 s MET 15 Ca 0.33 0.65 -0.00 0.00 -1.25 0.00 0.00 55.69 55.41 1nj3 s MET 15 Cb 0.04 -2.39 -0.03 0.00 2.84 0.00 0.00 34.83 35.29 1nj3 s MET 15 CO 0.16 0.07 -0.03 1.21 -0.65 0.00 0.00 175.02 175.78 1nj3 s ASN 16 N -2.57 0.38 0.84 1.11 3.84 0.05 -4.93 114.94 113.67 1nj3 s ASN 16 Ca 0.54 -0.69 -0.10 0.00 0.21 0.00 0.00 52.86 52.82 1nj3 s ASN 16 Cb -0.10 0.13 0.10 0.00 -0.55 0.00 0.00 41.25 40.83 1nj3 s ASN 16 CO 0.22 -0.40 1.11 -1.10 -2.79 0.00 0.00 177.10 174.14 1nj3 s GLN 17 N -2.36 1.64 0.00 0.43 -1.52 -1.26 -1.36 119.66 115.22 1nj3 s GLN 17 Ca -0.07 1.30 0.17 0.00 -1.95 0.00 0.00 55.36 54.81 1nj3 s GLN 17 Cb -0.04 -1.82 0.74 0.00 -0.22 0.00 0.00 33.01 31.68 1nj3 s GLN 17 CO -0.04 -2.12 1.52 -0.35 -0.25 0.00 0.00 175.29 174.05 1nj3 n PRO 18 N -3.86 0.06 -0.00 2.91 -0.04 -1.26 -2.70 135.00 130.11 1nj3 n PRO 18 Ca 0.10 0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.81 1nj3 n PRO 18 Cb 0.53 -1.50 -0.07 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 0.19 -0.20 2.56 0.55 0.00 -1.26 -4.69 105.19 102.35 1nj3 n GLY 19 Ca 0.05 -0.30 -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 -1.47 5.51 -0.44 2.61 -2.24 -1.10 -4.77 114.28 112.38 1nj3 n THR 20 Ca 0.01 -4.91 0.40 0.00 -2.27 0.00 0.00 64.05 57.28 1nj3 n THR 20 Cb 0.21 -1.91 0.76 0.00 -2.10 0.00 0.00 70.33 67.30 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 5.20 0.07 0.00 3.38 0.00 -1.84 -3.30 103.07 106.59 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 1.38 -0.01 0.00 1.42 0.00 0.00 0.00 176.54 179.33 1nj3 n HIS 22 N -4.13 0.00 0.00 5.60 8.25 -1.25 0.11 115.22 123.79 1nj3 n HIS 22 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1nj3 n HIS 22 Cb 1.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.58 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 -0.25 2.81 0.11 0.00 -0.58 -1.26 -3.91 120.64 117.56 1nj3 n GLU 24 Ca 0.00 -3.00 0.00 0.00 -0.42 0.00 0.00 57.16 53.74 1nj3 n GLU 24 Cb 0.00 -1.94 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 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 -0.61 0.00 -0.08 3.49 2.81 -1.26 -4.94 117.12 116.53 1nj3 n MET 25 Ca 0.30 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 56.01 1nj3 n MET 25 Cb 1.07 -0.19 -0.12 0.00 -0.71 0.00 0.00 33.22 33.27 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 -4.47 -0.39 -4.66 0.00 2.88 -1.25 -5.06 113.62 100.66 1nj3 n SER 27 Ca -0.22 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.04 1nj3 n SER 27 Cb 0.61 -0.12 -0.10 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.15 2.84 0.70 2.46 1.43 -1.26 -4.89 118.68 119.80 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 45.25 1nj3 s LEU 28 CO 0.00 -0.53 1.07 -2.16 0.23 0.00 0.00 176.35 174.96 1nj3 s PRO 29 N -3.78 2.95 0.00 1.29 0.04 -1.26 -2.98 135.00 131.26 1nj3 s PRO 29 Ca 0.32 0.65 0.16 0.00 0.04 0.00 0.00 61.00 62.18 1nj3 s PRO 29 Cb 0.08 -2.01 0.73 0.00 0.04 0.00 0.00 34.50 33.33 1nj3 s PRO 29 CO 0.17 -1.02 1.52 -2.13 0.04 0.00 0.00 177.00 175.58 1nj3 n ARG 30 N -3.03 0.05 0.00 4.56 0.63 0.30 -4.79 116.66 114.37 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