#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr8 n GLY 4 N 0.00 -0.90 0.00 0.55 0.00 -1.26 -5.06 105.19 98.52 1cr8 n GLY 4 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1cr8 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr8 n GLY 5 N 1.38 1.54 0.04 -0.02 0.00 -1.26 -5.03 105.19 101.84 1cr8 n GLY 5 Ca 0.11 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.89 1cr8 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr8 n HIS 7 N -3.35 -0.73 -1.52 0.00 -0.00 -1.26 -5.05 115.22 103.31 1cr8 n HIS 7 Ca -0.05 -0.49 -0.41 0.00 0.46 0.00 0.00 57.72 57.24 1cr8 n HIS 7 Cb 0.17 0.23 -0.07 0.00 -0.12 0.00 0.00 29.99 30.21 1cr8 n HIS 7 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1cr8 n THR 8 N -0.34 0.01 -1.01 3.57 5.66 -1.26 -0.95 114.28 119.96 1cr8 n THR 8 Ca -0.00 -0.46 -0.06 0.00 -3.05 0.00 0.00 64.05 60.47 1cr8 n THR 8 Cb 0.25 -1.93 -0.03 0.00 -1.55 0.00 0.00 70.33 67.07 1cr8 n THR 8 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1cr8 n ASP 9 N 13.06 -3.95 -4.67 1.09 5.75 -1.26 -4.81 116.55 121.77 1cr8 n ASP 9 Ca 0.45 0.16 -0.30 0.00 -0.01 0.00 0.00 54.79 55.10 1cr8 n ASP 9 Cb 0.34 -2.96 0.17 0.00 -1.03 0.00 0.00 41.12 37.63 1cr8 n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1cr8 s GLU 10 N -2.18 0.77 -0.11 0.11 8.01 -0.13 -4.53 118.70 120.64 1cr8 s GLU 10 Ca 0.00 0.93 -0.03 0.00 0.01 0.00 0.00 54.97 55.87 1cr8 s GLU 10 Cb 0.00 -1.74 -0.03 0.00 -4.31 0.00 0.00 34.13 28.04 1cr8 s GLU 10 CO 0.00 -2.61 0.02 0.12 0.01 0.00 0.00 175.26 172.80 1cr8 s PHE 11 N -2.80 3.20 -0.39 1.61 5.36 0.05 -4.65 117.98 120.36 1cr8 s PHE 11 Ca 0.65 0.15 -0.16 0.00 -0.96 0.00 0.00 56.93 56.62 1cr8 s PHE 11 Cb -0.20 -1.86 0.01 0.00 -0.34 0.00 0.00 43.02 40.63 1cr8 s PHE 11 CO 0.59 0.39 0.35 -1.14 -1.46 0.00 0.00 175.22 173.95 1cr8 s GLN 12 N -0.59 3.21 0.38 10.12 0.74 -1.26 -0.72 119.66 131.53 1cr8 s GLN 12 Ca 0.10 -0.75 -0.28 0.00 0.05 0.00 0.00 55.36 54.48 1cr8 s GLN 12 Cb -0.12 -3.92 -0.11 0.00 1.10 0.00 0.00 33.01 29.96 1cr8 s GLN 12 CO 0.02 -0.70 1.39 0.00 -0.55 0.00 0.00 175.29 175.45 1cr8 n ARG 14 N 0.39 1.65 -0.05 0.00 3.00 -1.26 -2.30 116.66 118.08 1cr8 n ARG 14 Ca 0.03 -1.31 -0.13 0.00 -0.00 0.00 0.00 57.85 56.44 1cr8 n ARG 14 Cb 0.38 -1.41 -0.12 0.00 0.00 0.00 0.00 32.46 31.31 1cr8 n ARG 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1cr8 h LEU 15 N 3.11 -0.01 0.00 6.15 6.46 -1.95 -3.43 115.31 125.64 1cr8 h LEU 15 Ca 0.00 -0.84 -0.13 0.00 -0.12 0.00 0.00 57.88 56.79 1cr8 h LEU 15 Cb 0.78 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 1cr8 h LEU 15 CO 0.00 0.86 -1.48 -0.90 -0.62 0.00 0.00 178.44 176.30 1cr8 n ASP 16 N -4.67 3.35 0.00 1.25 5.75 -1.26 -5.06 116.55 115.90 1cr8 n ASP 16 Ca -0.09 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 1cr8 n ASP 16 Cb 0.41 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1cr8 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cr8 n GLY 17 N 3.04 1.22 3.87 6.12 0.00 -0.97 -5.09 105.19 113.37 1cr8 n GLY 17 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1cr8 n GLY 17 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cr8 s LEU 18 N 0.00 3.09 -0.23 0.99 2.34 -1.25 -4.57 118.68 119.05 1cr8 s LEU 18 Ca 0.00 1.33 -0.04 0.00 0.06 0.00 0.00 54.13 55.49 1cr8 s LEU 18 Cb 0.00 -4.27 0.00 0.00 -0.56 0.00 0.00 46.19 41.36 1cr8 s LEU 18 CO 0.00 -1.10 -0.04 0.00 -1.06 0.00 0.00 176.35 174.16 1cr8 s ILE 20 N 1.44 1.31 -0.57 0.00 -5.25 0.10 -4.89 121.20 113.33 1cr8 s ILE 20 Ca 0.04 -1.14 -0.27 0.00 -0.99 0.00 0.00 60.65 58.29 1cr8 s ILE 20 Cb -0.15 -1.18 -0.01 0.00 2.95 0.00 0.00 42.46 44.07 1cr8 s ILE 20 CO -0.03 0.02 1.69 -2.16 -1.79 0.00 0.00 174.94 172.67 1cr8 s PRO 21 N -1.30 2.94 0.15 0.37 0.04 -1.26 -0.77 135.00 135.18 1cr8 s PRO 21 Ca 0.03 0.62 0.24 0.00 0.04 0.00 0.00 61.00 61.93 1cr8 s PRO 21 Cb -0.09 -4.28 0.91 0.00 0.04 0.00 0.00 34.50 31.08 1cr8 s PRO 21 CO 0.02 -2.36 1.72 -0.11 0.04 0.00 0.00 177.00 176.31 1cr8 n LEU 22 N 11.34 0.47 0.29 -3.56 0.00 -1.26 -0.71 117.00 123.57 1cr8 n LEU 22 Ca 0.17 0.58 0.00 0.00 0.00 0.00 0.00 56.01 56.76 1cr8 n LEU 22 Cb 0.50 -0.47 0.01 0.00 0.00 0.00 0.00 43.42 43.46 1cr8 n LEU 22 CO 0.71 -0.29 0.95 0.08 0.00 0.00 0.00 177.39 178.83 1cr8 h ARG 23 N 0.00 0.00 -0.12 1.96 0.11 -1.88 -0.51 114.38 113.95 1cr8 h ARG 23 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1cr8 h ARG 23 Cb 0.48 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.53 1cr8 h ARG 23 CO 0.00 0.00 -0.16 0.91 0.10 0.00 0.00 179.97 180.82 1cr8 n TRP 24 N -2.34 0.39 -1.28 4.08 5.03 0.11 -4.72 117.44 118.70 1cr8 n TRP 24 Ca -0.00 -1.25 -0.22 0.00 3.03 0.00 0.00 57.50 59.05 1cr8 n TRP 24 Cb 0.94 -0.28 -0.10 0.00 -1.03 0.00 0.00 31.31 30.84 1cr8 n TRP 24 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 1cr8 n ARG 25 N -1.13 2.56 0.00 -0.99 1.74 -0.20 -4.46 116.66 114.19 1cr8 n ARG 25 Ca 0.21 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 1cr8 n ARG 25 Cb 0.78 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1cr8 n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cr8 n ASP 27 N 0.00 -0.00 0.00 0.00 5.68 -1.26 -5.07 116.55 115.90 1cr8 n ASP 27 Ca 0.00 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1cr8 n ASP 27 Cb 0.00 0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1cr8 n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cr8 n GLY 28 N 1.73 0.43 3.60 6.12 0.00 -1.26 -5.10 105.19 110.71 1cr8 n GLY 28 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1cr8 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cr8 s ASP 29 N -0.56 6.64 -0.98 1.61 -1.08 -1.26 -4.96 116.67 116.08 1cr8 s ASP 29 Ca 0.00 0.51 -0.21 0.00 -0.52 0.00 0.00 52.55 52.33 1cr8 s ASP 29 Cb 0.00 -2.45 -0.10 0.00 -1.46 0.00 0.00 42.92 38.91 1cr8 s ASP 29 CO 0.00 -0.84 1.95 0.35 0.52 0.00 0.00 175.17 177.15 1cr8 n THR 30 N 5.96 2.17 0.25 1.71 -2.24 -1.26 -4.59 114.28 116.29 1cr8 n THR 30 Ca 0.06 -2.02 0.11 0.00 -2.27 0.00 0.00 64.05 59.93 1cr8 n THR 30 Cb 0.48 -2.32 -0.07 0.00 -2.10 0.00 0.00 70.33 66.32 1cr8 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1cr8 n ASP 31 N 9.03 0.44 -4.76 3.42 5.68 -1.26 -4.57 116.55 124.53 1cr8 n ASP 31 Ca 0.49 -0.06 -0.40 0.00 -0.50 0.00 0.00 54.79 54.32 1cr8 n ASP 31 Cb 0.42 1.23 -0.04 0.00 -1.14 0.00 0.00 41.12 41.59 1cr8 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cr8 n MET 33 N 0.95 0.00 0.00 0.00 1.56 -1.26 -3.14 117.12 115.24 1cr8 n MET 33 Ca -0.00 0.28 0.00 0.00 -0.27 0.00 0.00 57.70 57.71 1cr8 n MET 33 Cb 0.45 -1.70 0.00 0.00 2.15 0.00 0.00 33.22 34.12 1cr8 n MET 33 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1cr8 n ASP 34 N -1.27 0.00 0.00 6.12 -0.08 -1.26 -5.01 116.55 115.05 1cr8 n ASP 34 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cr8 n ASP 34 Cb 0.20 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.66 1cr8 n ASP 34 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1cr8 n SER 35 N -0.01 0.00 -0.49 1.67 3.41 -1.19 -4.88 113.62 112.13 1cr8 n SER 35 Ca 0.00 -0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.69 1cr8 n SER 35 Cb 0.00 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.41 1cr8 n SER 35 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1cr8 n SER 36 N 0.00 1.50 -0.14 4.04 3.41 -1.26 -0.48 113.62 120.69 1cr8 n SER 36 Ca 0.00 -1.59 -0.03 0.00 -0.26 0.00 0.00 58.87 56.99 1cr8 n SER 36 Cb 0.01 -0.05 0.05 0.00 -0.26 0.00 0.00 64.21 63.96 1cr8 n SER 36 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1cr8 h ASP 37 N 2.15 -0.04 0.00 4.04 2.03 -1.88 -3.42 116.42 119.30 1cr8 h ASP 37 Ca 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1cr8 h ASP 37 Cb 0.46 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1cr8 h ASP 37 CO 0.00 0.01 0.00 -1.84 -1.03 0.00 0.00 179.24 176.38 1cr8 n GLU 38 N -5.13 -0.20 0.06 4.15 0.00 -0.61 -4.03 120.64 114.89 1cr8 n GLU 38 Ca 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 57.16 57.11 1cr8 n GLU 38 Cb 0.22 -0.60 0.12 0.00 0.00 0.00 0.00 31.44 31.17 1cr8 n GLU 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1cr8 n LYS 39 N -0.00 0.03 -0.59 3.44 0.00 0.37 -0.80 118.16 120.61 1cr8 n LYS 39 Ca 0.00 0.37 0.04 0.00 0.00 0.00 0.00 58.31 58.72 1cr8 n LYS 39 Cb 0.19 -1.88 0.05 0.00 0.00 0.00 0.00 35.03 33.39 1cr8 n LYS 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1cr8 n SER 40 N -1.54 0.87 -0.50 3.14 7.64 -1.26 -4.82 113.62 117.15 1cr8 n SER 40 Ca -0.00 -2.42 0.09 0.00 1.01 0.00 0.00 58.87 57.55 1cr8 n SER 40 Cb 0.29 -0.30 0.02 0.00 -1.01 0.00 0.00 64.21 63.21 1cr8 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cr8 s GLU 42 N -1.92 1.38 0.11 0.00 2.12 -1.26 -5.08 118.70 114.05 1cr8 s GLU 42 Ca 0.17 -1.45 -0.17 0.00 0.36 0.00 0.00 54.97 53.88 1cr8 s GLU 42 Cb 0.15 -1.57 0.04 0.00 0.26 0.00 0.00 34.13 33.01 1cr8 s GLU 42 CO 0.39 0.33 0.42 0.20 -0.54 0.00 0.00 175.26 176.06 1cr8 s GLY 43 N -2.63 -0.31 0.00 -1.50 0.00 -1.26 -5.10 107.32 96.52 1cr8 s GLY 43 Ca 0.18 0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.98 1cr8 s GLY 43 CO 0.08 -0.19 0.53 1.55 0.00 0.00 0.00 173.10 175.07