#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 0.00 -4.56 1.61 2.88 -1.26 -4.69 113.62 107.60 1nj3 n SER 2 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1nj3 n SER 2 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1nj3 n SER 2 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1nj3 s THR 3 N 0.00 4.14 -0.02 2.46 2.01 -1.26 -5.04 115.64 117.94 1nj3 s THR 3 Ca 0.00 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1nj3 s THR 3 Cb 0.00 -2.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 1nj3 s THR 3 CO 0.00 0.51 -0.02 -0.24 -0.69 0.00 0.00 174.62 174.18 1nj3 n SER 4 N 3.21 0.20 -3.65 3.53 2.88 -1.26 -5.04 113.62 113.49 1nj3 n SER 4 Ca -0.17 0.26 -0.05 0.00 -1.33 0.00 0.00 58.87 57.57 1nj3 n SER 4 Cb 0.53 -0.54 -0.07 0.00 -0.75 0.00 0.00 64.21 63.38 1nj3 n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nj3 s ALA 5 N -2.97 -1.80 1.16 -1.46 0.00 -1.26 -5.01 121.76 110.41 1nj3 s ALA 5 Ca -0.02 2.25 -0.19 0.00 0.00 0.00 0.00 51.96 54.00 1nj3 s ALA 5 Cb 0.00 -1.49 0.28 0.00 0.00 0.00 0.00 23.12 21.91 1nj3 s ALA 5 CO 0.03 -0.58 1.18 -1.64 0.00 0.00 0.00 175.76 174.75 1nj3 s MET 6 N 2.10 -0.93 0.08 0.00 1.00 -1.26 -3.97 119.30 116.32 1nj3 s MET 6 Ca -0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 55.69 55.35 1nj3 s MET 6 Cb -0.08 -1.65 -0.04 0.00 0.00 0.00 0.00 34.83 33.06 1nj3 s MET 6 CO -0.18 -3.48 -0.03 1.67 0.00 0.00 0.00 175.02 172.99 1nj3 s TRP 7 N -3.28 0.69 -0.25 -0.03 1.48 0.11 -4.88 118.94 112.78 1nj3 s TRP 7 Ca 0.73 -1.03 -0.05 0.00 -1.06 0.00 0.00 56.10 54.69 1nj3 s TRP 7 Cb -0.07 -0.45 0.00 0.00 -1.16 0.00 0.00 33.47 31.80 1nj3 s TRP 7 CO 0.55 -0.31 0.00 0.00 -4.06 0.00 0.00 176.95 173.13 1nj3 s ALA 8 N -3.83 2.90 0.87 2.67 0.00 -1.26 -0.07 121.76 123.05 1nj3 s ALA 8 Ca 0.10 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 1nj3 s ALA 8 Cb 0.07 -1.88 0.12 0.00 0.00 0.00 0.00 23.12 21.43 1nj3 s ALA 8 CO -0.07 -0.69 1.10 0.00 0.00 0.00 0.00 175.76 176.11 1nj3 n GLN 10 N -3.92 2.41 0.14 0.00 0.00 -1.26 -4.02 117.38 110.72 1nj3 n GLN 10 Ca 0.09 -3.64 0.00 0.00 0.00 0.00 0.00 57.00 53.45 1nj3 n GLN 10 Cb 0.53 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 28.88 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 -0.96 -2.33 0.05 2.61 -0.00 -1.26 -4.87 115.22 108.46 1nj3 n HIS 11 Ca 0.30 0.41 -0.04 0.00 0.46 0.00 0.00 57.72 58.85 1nj3 n HIS 11 Cb 0.82 0.54 -0.09 0.00 -0.12 0.00 0.00 29.99 31.14 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 -1.19 -4.53 0.00 -2.24 -1.26 -5.06 114.28 96.86 1nj3 n THR 13 Ca -0.06 -0.03 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 1nj3 n THR 13 Cb 0.91 -2.53 -0.11 0.00 -2.10 0.00 0.00 70.33 66.51 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 2.34 0.28 4.78 5.36 -1.26 -4.90 117.98 121.47 1nj3 s PHE 14 Ca 0.15 -0.56 -0.17 0.00 -0.96 0.00 0.00 56.93 55.40 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 0.24 0.51 0.73 1.41 -1.46 0.00 0.00 175.22 176.65 1nj3 s MET 15 N -3.64 4.10 0.02 10.12 1.75 -1.26 -1.98 119.30 128.39 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 -2.61 -0.01 0.00 2.84 0.00 0.00 34.83 35.08 1nj3 s MET 15 CO 0.16 0.25 -0.02 1.21 -0.65 0.00 0.00 175.02 175.97 1nj3 s ASN 16 N -2.03 0.21 0.99 1.11 3.84 0.90 -4.95 114.94 115.01 1nj3 s ASN 16 Ca 0.50 -0.36 -0.12 0.00 0.21 0.00 0.00 52.86 53.09 1nj3 s ASN 16 Cb -0.13 0.07 0.19 0.00 -0.55 0.00 0.00 41.25 40.83 1nj3 s ASN 16 CO 0.19 -0.20 1.08 -1.10 -2.79 0.00 0.00 177.10 174.27 1nj3 s GLN 17 N -1.04 0.45 0.00 0.43 -1.52 -1.26 0.08 119.66 116.80 1nj3 s GLN 17 Ca -0.11 0.95 0.24 0.00 -1.95 0.00 0.00 55.36 54.49 1nj3 s GLN 17 Cb -0.07 -1.70 1.31 0.00 -0.22 0.00 0.00 33.01 32.33 1nj3 s GLN 17 CO -0.01 -2.83 1.82 -0.35 -0.25 0.00 0.00 175.29 173.67 1nj3 n PRO 18 N -4.31 0.49 -0.01 2.91 -0.04 -1.25 -3.09 135.00 129.70 1nj3 n PRO 18 Ca 0.07 0.04 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1nj3 n PRO 18 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 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 0.70 -0.59 2.81 0.55 0.00 -1.26 -4.70 105.19 102.70 1nj3 n GLY 19 Ca 0.14 -0.34 -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 -1.90 5.17 -0.20 2.61 -2.24 -1.18 -4.79 114.28 111.75 1nj3 n THR 20 Ca -0.02 -5.20 0.30 0.00 -2.27 0.00 0.00 64.05 56.85 1nj3 n THR 20 Cb 0.34 -2.07 0.73 0.00 -2.10 0.00 0.00 70.33 67.23 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 5.98 0.00 0.00 3.38 0.00 -1.84 -3.33 103.07 107.26 1nj3 h GLY 21 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1nj3 h GLY 21 CO 1.42 0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.38 1nj3 n HIS 22 N -4.22 0.00 0.00 5.60 8.25 -1.25 0.10 115.22 123.70 1nj3 n HIS 22 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1nj3 n HIS 22 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 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 3.07 0.08 0.00 1.02 -1.26 -3.64 120.64 119.60 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 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.25 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 -0.58 0.00 -0.07 3.49 2.81 -1.26 -4.95 117.12 116.56 1nj3 n MET 25 Ca 0.47 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 56.20 1nj3 n MET 25 Cb 1.46 -0.09 -0.13 0.00 -0.71 0.00 0.00 33.22 33.75 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 -4.54 -0.24 -4.61 0.00 2.88 -1.24 -5.06 113.62 100.81 1nj3 n SER 27 Ca -0.15 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.11 1nj3 n SER 27 Cb 0.54 -0.08 -0.11 0.00 -0.75 0.00 0.00 64.21 63.82 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 2.78 0.66 2.46 1.43 -1.26 -4.88 118.68 119.79 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 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 1nj3 s LEU 28 CO 0.00 -0.49 1.05 -2.16 0.23 0.00 0.00 176.35 174.98 1nj3 s PRO 29 N -3.73 3.27 0.00 1.29 0.04 -1.26 -2.89 135.00 131.71 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 -2.05 0.70 0.00 0.04 0.00 0.00 34.50 33.29 1nj3 s PRO 29 CO 0.17 -0.80 1.51 -2.13 0.04 0.00 0.00 177.00 175.80 1nj3 n ARG 30 N -2.89 0.02 0.00 4.56 0.63 0.29 -4.83 116.66 114.44 1nj3 n ARG 30 Ca 0.06 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