#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 6.08 0.05 1.61 0.15 -1.26 -5.05 113.70 115.27 1nj3 s SER 2 Ca 0.00 -1.07 -0.31 0.00 0.70 0.00 0.00 55.95 55.28 1nj3 s SER 2 Cb 0.00 -2.15 -0.06 0.00 -1.71 0.00 0.00 66.02 62.09 1nj3 s SER 2 CO 0.00 -0.51 1.40 -0.89 1.20 0.00 0.00 173.24 174.44 1nj3 s THR 3 N 1.65 3.55 0.00 6.45 2.01 -1.26 -4.97 115.64 123.07 1nj3 s THR 3 Ca 0.04 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1nj3 s THR 3 Cb -0.21 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.65 1nj3 s THR 3 CO 0.08 0.03 0.00 -1.20 -0.69 0.00 0.00 174.62 172.84 1nj3 n SER 4 N 4.84 0.00 -3.65 3.53 7.64 -1.26 -5.02 113.62 119.70 1nj3 n SER 4 Ca 0.13 0.25 -0.05 0.00 1.01 0.00 0.00 58.87 60.20 1nj3 n SER 4 Cb 0.43 -0.28 -0.07 0.00 -1.01 0.00 0.00 64.21 63.29 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 -3.50 -1.79 1.15 -0.43 0.00 -1.26 -5.07 121.76 110.86 1nj3 s ALA 5 Ca 0.00 2.22 -0.19 0.00 0.00 0.00 0.00 51.96 53.99 1nj3 s ALA 5 Cb 0.00 -1.49 0.27 0.00 0.00 0.00 0.00 23.12 21.90 1nj3 s ALA 5 CO 0.00 -0.60 1.19 -1.64 0.00 0.00 0.00 175.76 174.71 1nj3 s MET 6 N 2.15 -0.84 0.08 0.00 1.00 -1.26 -3.97 119.30 116.45 1nj3 s MET 6 Ca -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 55.69 55.33 1nj3 s MET 6 Cb -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 34.83 33.04 1nj3 s MET 6 CO -0.18 -3.42 -0.01 1.67 0.00 0.00 0.00 175.02 173.08 1nj3 s TRP 7 N -3.33 0.64 -0.27 -0.03 1.48 -0.35 -4.89 118.94 112.20 1nj3 s TRP 7 Ca 0.73 -1.10 -0.06 0.00 -1.06 0.00 0.00 56.10 54.61 1nj3 s TRP 7 Cb -0.06 -0.43 0.00 0.00 -1.16 0.00 0.00 33.47 31.82 1nj3 s TRP 7 CO 0.55 -0.40 0.04 0.00 -4.06 0.00 0.00 176.95 173.08 1nj3 s ALA 8 N -3.93 3.00 0.84 2.67 0.00 -1.26 -0.74 121.76 122.34 1nj3 s ALA 8 Ca 0.12 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 1nj3 s ALA 8 Cb 0.08 -2.01 0.10 0.00 0.00 0.00 0.00 23.12 21.28 1nj3 s ALA 8 CO -0.06 -0.75 1.11 0.00 0.00 0.00 0.00 175.76 176.06 1nj3 n GLN 10 N -3.83 2.53 0.13 0.00 0.00 -1.26 -4.00 117.38 110.95 1nj3 n GLN 10 Ca 0.10 -3.66 0.00 0.00 0.00 0.00 0.00 57.00 53.44 1nj3 n GLN 10 Cb 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 30.24 28.81 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 -0.94 -2.18 0.04 2.61 -0.00 -1.26 -4.89 115.22 108.60 1nj3 n HIS 11 Ca 0.33 0.39 -0.14 0.00 0.46 0.00 0.00 57.72 58.75 1nj3 n HIS 11 Cb 0.85 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 -3.35 0.00 -4.54 0.00 5.66 -1.26 -5.08 114.28 105.71 1nj3 n THR 13 Ca -0.16 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.57 1nj3 n THR 13 Cb 1.03 -1.11 -0.10 0.00 -1.55 0.00 0.00 70.33 68.59 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 -2.67 2.43 0.36 1.09 5.36 -1.26 -4.89 117.98 118.40 1nj3 s PHE 14 Ca 0.00 -0.52 -0.14 0.00 -0.96 0.00 0.00 56.93 55.30 1nj3 s PHE 14 Cb 0.00 -1.46 -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 3.96 0.03 10.12 -2.45 -1.26 -2.04 119.30 124.02 1nj3 s MET 15 Ca 0.33 0.66 -0.00 0.00 -1.25 0.00 0.00 55.69 55.43 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 0.00 175.02 177.50 1nj3 s ASN 16 N -2.51 0.36 0.89 1.11 3.84 0.08 -4.92 114.94 113.79 1nj3 s ASN 16 Ca 0.54 -0.63 -0.11 0.00 0.21 0.00 0.00 52.86 52.87 1nj3 s ASN 16 Cb -0.10 0.12 0.13 0.00 -0.55 0.00 0.00 41.25 40.84 1nj3 s ASN 16 CO 0.21 -0.37 1.10 -1.10 -2.79 0.00 0.00 177.10 174.15 1nj3 s GLN 17 N -2.11 1.28 0.00 0.43 -1.52 -1.26 -1.21 119.66 115.27 1nj3 s GLN 17 Ca -0.09 1.18 0.18 0.00 -1.95 0.00 0.00 55.36 54.68 1nj3 s GLN 17 Cb -0.05 -1.78 0.80 0.00 -0.22 0.00 0.00 33.01 31.76 1nj3 s GLN 17 CO -0.03 -2.33 1.57 -0.35 -0.25 0.00 0.00 175.29 173.89 1nj3 n PRO 18 N -3.99 0.07 -0.00 2.91 -0.04 -1.26 -2.76 135.00 129.93 1nj3 n PRO 18 Ca 0.09 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 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 0.32 -0.05 2.55 0.55 0.00 -1.26 -4.68 105.19 102.61 1nj3 n GLY 19 Ca 0.05 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.36 5.22 -0.52 2.61 -2.24 -1.11 -4.77 114.28 112.10 1nj3 n THR 20 Ca 0.01 -4.67 0.44 0.00 -2.27 0.00 0.00 64.05 57.56 1nj3 n THR 20 Cb 0.18 -1.82 0.78 0.00 -2.10 0.00 0.00 70.33 67.36 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 4.86 0.11 0.00 3.38 0.00 -1.83 -3.29 103.07 106.30 1nj3 h GLY 21 Ca 0.62 -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 0.10 115.22 123.82 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 1.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.75 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 -0.24 2.91 0.10 0.00 1.02 -1.26 -3.90 120.64 119.28 1nj3 n GLU 24 Ca 0.00 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.11 1nj3 n GLU 24 Cb 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 1nj3 n GLU 24 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1nj3 n MET 25 N -0.57 0.00 -0.08 3.49 1.56 -1.26 -4.95 117.12 115.32 1nj3 n MET 25 Ca 0.33 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.60 1nj3 n MET 25 Cb 1.14 -0.16 -0.12 0.00 2.15 0.00 0.00 33.22 36.24 1nj3 n MET 25 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1nj3 n SER 27 N -4.56 -0.21 -4.62 0.00 2.88 -1.25 -5.06 113.62 100.81 1nj3 n SER 27 Ca -0.17 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.09 1nj3 n SER 27 Cb 0.52 -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 -0.07 2.78 0.68 2.46 1.43 -1.26 -4.88 118.68 119.82 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 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 1nj3 s LEU 28 CO 0.00 -0.49 1.07 -2.16 0.23 0.00 0.00 176.35 174.99 1nj3 s PRO 29 N -3.74 3.07 0.00 1.29 0.04 -1.26 -2.93 135.00 131.48 1nj3 s PRO 29 Ca 0.33 0.67 0.16 0.00 0.04 0.00 0.00 61.00 62.20 1nj3 s PRO 29 Cb 0.09 -2.03 0.71 0.00 0.04 0.00 0.00 34.50 33.31 1nj3 s PRO 29 CO 0.17 -0.93 1.51 -2.13 0.04 0.00 0.00 177.00 175.66 1nj3 n ARG 30 N -2.97 0.03 0.00 4.56 0.63 0.29 -4.83 116.66 114.37 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 0.55 -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