#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nj3 h SER 2 N 0.00 -0.79 -2.61 1.61 0.02 -2.11 -3.42 113.55 106.25 1nj3 h SER 2 Ca 0.00 0.03 -0.52 0.00 -0.84 0.00 0.00 61.79 60.45 1nj3 h SER 2 Cb 0.00 0.20 0.05 0.00 0.14 0.00 0.00 62.40 62.79 1nj3 h SER 2 CO 0.00 -0.56 1.05 -0.89 -1.14 0.00 0.00 176.83 175.30 1nj3 s THR 3 N -5.01 2.26 0.00 -2.27 2.01 -1.26 -4.95 115.64 106.42 1nj3 s THR 3 Ca -0.14 0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1nj3 s THR 3 Cb 0.01 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.50 1nj3 s THR 3 CO 0.41 0.00 0.44 -1.20 -0.69 0.00 0.00 174.62 173.58 1nj3 n SER 4 N 4.73 0.00 -3.65 3.53 7.64 -1.26 -4.94 113.62 119.67 1nj3 n SER 4 Ca 0.17 0.48 -0.03 0.00 1.01 0.00 0.00 58.87 60.50 1nj3 n SER 4 Cb 0.37 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.40 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 -2.67 -1.89 1.13 -0.43 0.00 -1.26 -4.98 121.76 111.66 1nj3 s ALA 5 Ca 0.00 2.21 -0.19 0.00 0.00 0.00 0.00 51.96 53.99 1nj3 s ALA 5 Cb 0.00 -1.67 0.26 0.00 0.00 0.00 0.00 23.12 21.71 1nj3 s ALA 5 CO 0.00 -0.86 1.19 -1.64 0.00 0.00 0.00 175.76 174.46 1nj3 s MET 6 N 2.75 -0.69 0.07 0.00 1.00 -1.26 -3.93 119.30 117.24 1nj3 s MET 6 Ca -0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 55.69 55.38 1nj3 s MET 6 Cb -0.11 -1.68 -0.04 0.00 0.00 0.00 0.00 34.83 33.00 1nj3 s MET 6 CO -0.18 -3.33 -0.02 1.67 0.00 0.00 0.00 175.02 173.16 1nj3 s TRP 7 N -3.34 0.65 -0.29 -0.03 1.48 -0.29 -4.89 118.94 112.23 1nj3 s TRP 7 Ca 0.73 -1.06 -0.07 0.00 -1.06 0.00 0.00 56.10 54.63 1nj3 s TRP 7 Cb -0.07 -0.43 0.00 0.00 -1.16 0.00 0.00 33.47 31.81 1nj3 s TRP 7 CO 0.55 -0.35 0.08 0.00 -4.06 0.00 0.00 176.95 173.16 1nj3 s ALA 8 N -3.88 3.08 0.83 2.67 0.00 -1.26 -0.72 121.76 122.48 1nj3 s ALA 8 Ca 0.11 -1.40 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 1nj3 s ALA 8 Cb 0.07 -2.13 0.09 0.00 0.00 0.00 0.00 23.12 21.16 1nj3 s ALA 8 CO -0.07 -0.85 1.11 0.00 0.00 0.00 0.00 175.76 175.95 1nj3 n GLN 10 N -3.81 2.69 0.10 0.00 1.13 -1.26 -3.97 117.38 112.27 1nj3 n GLN 10 Ca 0.10 -3.74 0.00 0.00 -1.94 0.00 0.00 57.00 51.42 1nj3 n GLN 10 Cb 0.53 -2.00 0.00 0.00 0.11 0.00 0.00 30.24 28.88 1nj3 n GLN 10 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1nj3 n HIS 11 N -0.90 -1.75 0.01 1.08 -0.00 -1.26 -4.89 115.22 107.51 1nj3 n HIS 11 Ca 0.35 0.31 -0.14 0.00 0.46 0.00 0.00 57.72 58.70 1nj3 n HIS 11 Cb 0.86 0.52 -0.14 0.00 -0.12 0.00 0.00 29.99 31.11 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 -3.27 0.00 -4.56 0.00 5.66 -1.25 -5.08 114.28 105.78 1nj3 n THR 13 Ca -0.20 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.54 1nj3 n THR 13 Cb 1.04 -1.11 -0.11 0.00 -1.55 0.00 0.00 70.33 68.61 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 -2.66 2.41 0.36 1.09 5.36 -1.26 -4.89 117.98 118.39 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 -1.45 -0.08 0.00 -0.34 0.00 0.00 43.02 41.14 1nj3 s PHE 14 CO 0.00 0.55 0.77 1.41 -1.46 0.00 0.00 175.22 176.49 1nj3 s MET 15 N -3.63 3.95 0.03 10.12 -2.45 -1.26 -2.04 119.30 124.02 1nj3 s MET 15 Ca 0.33 0.65 -0.00 0.00 -1.25 0.00 0.00 55.69 55.42 1nj3 s MET 15 Cb 0.04 -2.39 -0.03 0.00 1.25 0.00 0.00 34.83 33.70 1nj3 s MET 15 CO 0.17 0.08 -0.03 1.21 1.05 0.00 0.00 175.02 177.49 1nj3 s ASN 16 N -2.53 0.37 0.88 1.11 3.84 0.10 -4.92 114.94 113.79 1nj3 s ASN 16 Ca 0.54 -0.64 -0.11 0.00 0.21 0.00 0.00 52.86 52.87 1nj3 s ASN 16 Cb -0.10 0.12 0.12 0.00 -0.55 0.00 0.00 41.25 40.84 1nj3 s ASN 16 CO 0.21 -0.37 1.11 -1.10 -2.79 0.00 0.00 177.10 174.16 1nj3 s GLN 17 N -2.13 1.34 0.00 0.43 -1.52 -1.26 -1.13 119.66 115.39 1nj3 s GLN 17 Ca -0.09 1.21 0.18 0.00 -1.95 0.00 0.00 55.36 54.70 1nj3 s GLN 17 Cb -0.05 -1.79 0.78 0.00 -0.22 0.00 0.00 33.01 31.73 1nj3 s GLN 17 CO -0.03 -2.30 1.56 -0.35 -0.25 0.00 0.00 175.29 173.92 1nj3 n PRO 18 N -3.97 0.05 -0.00 2.91 -0.04 -1.25 -2.72 135.00 129.98 1nj3 n PRO 18 Ca 0.09 0.18 0.05 0.00 -0.04 0.00 0.00 63.50 63.78 1nj3 n PRO 18 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.29 -0.06 2.55 0.55 0.00 -1.26 -4.68 105.19 102.59 1nj3 n GLY 19 Ca 0.05 -0.28 -0.39 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 -1.35 5.20 -0.53 2.61 -2.24 -1.10 -4.77 114.28 112.10 1nj3 n THR 20 Ca 0.01 -4.67 0.45 0.00 -2.27 0.00 0.00 64.05 57.56 1nj3 n THR 20 Cb 0.18 -1.81 0.78 0.00 -2.10 0.00 0.00 70.33 67.38 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 4.83 0.12 0.00 3.38 0.00 -1.83 -3.29 103.07 106.27 1nj3 h GLY 21 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1nj3 h GLY 21 CO 1.32 -0.03 0.00 1.42 0.00 0.00 0.00 176.54 179.25 1nj3 n HIS 22 N -4.10 0.00 0.00 5.60 8.25 -1.25 0.11 115.22 123.83 1nj3 n HIS 22 Ca 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1nj3 n HIS 22 Cb 1.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.76 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 -0.23 2.79 0.11 0.00 1.02 -1.26 -3.93 120.64 119.14 1nj3 n GLU 24 Ca 0.00 -3.01 0.00 0.00 -0.02 0.00 0.00 57.16 54.13 1nj3 n GLU 24 Cb 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 -0.62 0.00 -0.09 3.49 2.81 -1.26 -4.94 117.12 116.51 1nj3 n MET 25 Ca 0.31 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 56.02 1nj3 n MET 25 Cb 1.08 -0.17 -0.12 0.00 -0.71 0.00 0.00 33.22 33.30 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 -0.26 -4.61 0.00 2.88 -1.25 -5.06 113.62 100.79 1nj3 n SER 27 Ca -0.21 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.06 1nj3 n SER 27 Cb 0.57 -0.09 -0.11 0.00 -0.75 0.00 0.00 64.21 63.84 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 -0.09 2.74 0.69 2.46 1.43 -1.26 -4.88 118.68 119.77 1nj3 s LEU 28 Ca 0.00 -1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 51.59 1nj3 s LEU 28 Cb 0.00 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.40 1nj3 s LEU 28 CO 0.00 -0.51 1.07 -2.16 0.23 0.00 0.00 176.35 174.98 1nj3 s PRO 29 N -3.75 3.01 0.00 1.29 0.04 -1.26 -2.91 135.00 131.43 1nj3 s PRO 29 Ca 0.32 0.64 0.16 0.00 0.04 0.00 0.00 61.00 62.16 1nj3 s PRO 29 Cb 0.09 -2.02 0.71 0.00 0.04 0.00 0.00 34.50 33.31 1nj3 s PRO 29 CO 0.16 -0.97 1.51 -2.13 0.04 0.00 0.00 177.00 175.62 1nj3 n ARG 30 N -2.99 0.03 0.00 4.56 0.63 0.30 -4.83 116.66 114.36 1nj3 n ARG 30 Ca 0.07 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 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