#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 5.00 0.04 1.61 0.01 -1.26 -4.96 113.70 114.14 1nj3 s SER 2 Ca 0.00 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.36 1nj3 s SER 2 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1nj3 s SER 2 CO 0.00 -1.00 0.00 0.41 0.41 0.00 0.00 173.24 173.06 1nj3 n THR 3 N -1.84-13.27 0.00 1.44 -1.04 -1.26 -4.95 114.28 93.36 1nj3 n THR 3 Ca 0.06 3.14 0.00 0.00 -2.04 0.00 0.00 64.05 65.21 1nj3 n THR 3 Cb 0.62 -6.00 0.00 0.00 -1.82 0.00 0.00 70.33 63.13 1nj3 n THR 3 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1nj3 n SER 4 N 1.80 0.00 -3.65 8.00 3.41 -1.26 -4.91 113.62 117.01 1nj3 n SER 4 Ca 0.00 0.71 -0.05 0.00 -0.26 0.00 0.00 58.87 59.27 1nj3 n SER 4 Cb 0.00 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 1nj3 n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nj3 s ALA 5 N -2.55 -1.81 1.16 7.33 0.00 -1.26 -5.08 121.76 119.56 1nj3 s ALA 5 Ca 0.00 2.23 -0.19 0.00 0.00 0.00 0.00 51.96 53.99 1nj3 s ALA 5 Cb 0.00 -1.53 0.28 0.00 0.00 0.00 0.00 23.12 21.87 1nj3 s ALA 5 CO 0.00 -0.65 1.19 -1.64 0.00 0.00 0.00 175.76 174.65 1nj3 s MET 6 N 2.28 -0.95 0.07 0.00 1.00 -1.26 -3.97 119.30 116.48 1nj3 s MET 6 Ca -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 55.69 55.33 1nj3 s MET 6 Cb -0.09 -1.65 -0.04 0.00 0.00 0.00 0.00 34.83 33.05 1nj3 s MET 6 CO -0.18 -3.49 -0.01 1.67 0.00 0.00 0.00 175.02 173.00 1nj3 s TRP 7 N -3.30 0.63 -0.27 -0.03 1.48 -0.14 -4.89 118.94 112.43 1nj3 s TRP 7 Ca 0.73 -1.10 -0.06 0.00 -1.06 0.00 0.00 56.10 54.62 1nj3 s TRP 7 Cb -0.06 -0.42 0.00 0.00 -1.16 0.00 0.00 33.47 31.83 1nj3 s TRP 7 CO 0.55 -0.39 0.04 0.00 -4.06 0.00 0.00 176.95 173.08 1nj3 s ALA 8 N -3.93 2.98 0.84 2.67 0.00 -1.26 -0.60 121.76 122.46 1nj3 s ALA 8 Ca 0.11 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 1nj3 s ALA 8 Cb 0.08 -1.99 0.10 0.00 0.00 0.00 0.00 23.12 21.30 1nj3 s ALA 8 CO -0.07 -0.74 1.11 0.00 0.00 0.00 0.00 175.76 176.06 1nj3 n GLN 10 N -3.82 2.54 0.13 0.00 0.00 -1.26 -4.01 117.38 110.96 1nj3 n GLN 10 Ca 0.10 -3.67 0.00 0.00 0.00 0.00 0.00 57.00 53.43 1nj3 n GLN 10 Cb 0.53 -1.96 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 -2.23 0.04 2.61 -0.00 -1.26 -4.89 115.22 108.56 1nj3 n HIS 11 Ca 0.33 0.39 -0.14 0.00 0.46 0.00 0.00 57.72 58.76 1nj3 n HIS 11 Cb 0.85 0.53 -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 -4.52 0.00 5.66 -1.26 -5.08 114.28 105.74 1nj3 n THR 13 Ca -0.16 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.58 1nj3 n THR 13 Cb 1.03 -1.13 -0.10 0.00 -1.55 0.00 0.00 70.33 68.58 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 -2.68 2.44 0.34 1.09 5.36 -1.26 -4.89 117.98 118.38 1nj3 s PHE 14 Ca 0.00 -0.51 -0.15 0.00 -0.96 0.00 0.00 56.93 55.31 1nj3 s PHE 14 Cb 0.00 -1.45 -0.09 0.00 -0.34 0.00 0.00 43.02 41.14 1nj3 s PHE 14 CO 0.00 0.55 0.76 1.41 -1.46 0.00 0.00 175.22 176.48 1nj3 s MET 15 N -3.64 3.99 0.03 10.12 1.75 -1.26 -2.05 119.30 128.23 1nj3 s MET 15 Ca 0.33 0.68 0.00 0.00 -1.25 0.00 0.00 55.69 55.45 1nj3 s MET 15 Cb 0.03 -2.40 -0.02 0.00 2.84 0.00 0.00 34.83 35.27 1nj3 s MET 15 CO 0.17 0.11 -0.03 1.21 -0.65 0.00 0.00 175.02 175.83 1nj3 s ASN 16 N -2.39 0.35 0.92 1.11 3.84 0.23 -4.93 114.94 114.07 1nj3 s ASN 16 Ca 0.54 -0.59 -0.11 0.00 0.21 0.00 0.00 52.86 52.91 1nj3 s ASN 16 Cb -0.10 0.11 0.15 0.00 -0.55 0.00 0.00 41.25 40.86 1nj3 s ASN 16 CO 0.19 -0.34 1.10 -1.10 -2.79 0.00 0.00 177.10 174.15 1nj3 s GLN 17 N -1.91 1.00 0.00 0.43 -1.52 -1.26 -0.97 119.66 115.43 1nj3 s GLN 17 Ca -0.11 1.13 0.20 0.00 -1.95 0.00 0.00 55.36 54.62 1nj3 s GLN 17 Cb -0.07 -1.76 0.92 0.00 -0.22 0.00 0.00 33.01 31.88 1nj3 s GLN 17 CO -0.02 -2.51 1.63 -0.35 -0.25 0.00 0.00 175.29 173.79 1nj3 n PRO 18 N -4.11 0.13 -0.00 2.91 -0.04 -1.25 -2.91 135.00 129.73 1nj3 n PRO 18 Ca 0.08 0.13 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 1nj3 n PRO 18 Cb 0.54 -1.50 -0.07 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 0.47 -0.20 2.57 0.55 0.00 -1.26 -4.69 105.19 102.63 1nj3 n GLY 19 Ca 0.07 -0.29 -0.41 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 -1.49 5.52 -0.43 2.61 -2.24 -1.15 -4.77 114.28 112.32 1nj3 n THR 20 Ca 0.00 -4.95 0.40 0.00 -2.27 0.00 0.00 64.05 57.24 1nj3 n THR 20 Cb 0.21 -1.91 0.77 0.00 -2.10 0.00 0.00 70.33 67.31 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 0.01 0.00 3.38 0.00 -1.84 -3.30 103.07 106.52 1nj3 h GLY 21 Ca 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1nj3 h GLY 21 CO 1.38 -0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.34 1nj3 n HIS 22 N -4.11 0.00 0.00 5.60 8.25 -1.25 0.85 115.22 124.56 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 -0.26 3.04 0.09 0.00 -0.58 -1.26 -3.85 120.64 117.83 1nj3 n GLU 24 Ca 0.00 -3.05 0.00 0.00 -0.42 0.00 0.00 57.16 53.69 1nj3 n GLU 24 Cb 0.00 -2.03 0.00 0.00 -0.57 0.00 0.00 31.44 28.84 1nj3 n GLU 24 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1nj3 n MET 25 N -0.51 0.00 -0.08 3.49 1.56 -1.26 -4.95 117.12 115.37 1nj3 n MET 25 Ca 0.35 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.63 1nj3 n MET 25 Cb 1.20 -0.14 -0.11 0.00 2.15 0.00 0.00 33.22 36.31 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 -4.57 -0.14 -4.60 0.00 2.88 -1.25 -5.06 113.62 100.89 1nj3 n SER 27 Ca -0.16 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.11 1nj3 n SER 27 Cb 0.49 -0.04 -0.11 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.05 2.77 0.63 2.46 1.43 -1.26 -4.87 118.68 119.80 1nj3 s LEU 28 Ca 0.00 -1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 51.61 1nj3 s LEU 28 Cb 0.00 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 1nj3 s LEU 28 CO 0.00 -0.48 1.04 -2.16 0.23 0.00 0.00 176.35 174.98 1nj3 s PRO 29 N -3.74 3.48 0.00 1.29 0.04 -1.26 -2.93 135.00 131.88 1nj3 s PRO 29 Ca 0.35 0.77 0.16 0.00 0.04 0.00 0.00 61.00 62.32 1nj3 s PRO 29 Cb 0.10 -2.07 0.70 0.00 0.04 0.00 0.00 34.50 33.27 1nj3 s PRO 29 CO 0.17 -0.66 1.51 -2.13 0.04 0.00 0.00 177.00 175.94 1nj3 n ARG 30 N -2.81 0.02 0.00 4.56 0.63 0.25 -4.85 116.66 114.46 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 0.54 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1nj3 n ARG 30 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53