#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr8 s GLY 4 N 0.00 2.30 0.10 0.55 0.00 -1.26 -5.08 107.32 103.93 1cr8 s GLY 4 Ca 0.00 -3.00 0.03 0.00 0.00 0.00 0.00 44.72 41.75 1cr8 s GLY 4 CO 0.00 1.05 -0.08 -0.32 0.00 0.00 0.00 173.10 173.75 1cr8 s GLY 5 N 0.86 0.83 -0.10 0.20 0.00 -1.26 -5.04 107.32 102.80 1cr8 s GLY 5 Ca 0.14 -1.29 -0.27 0.00 0.00 0.00 0.00 44.72 43.29 1cr8 s GLY 5 CO -0.03 -1.38 0.90 0.00 0.00 0.00 0.00 173.10 172.58 1cr8 n HIS 7 N -4.69 0.00 -1.52 0.00 -0.00 -1.26 -5.06 115.22 102.69 1cr8 n HIS 7 Ca -0.09 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.69 1cr8 n HIS 7 Cb 0.40 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.20 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 0.00 -0.01 -1.08 3.57 5.66 -1.26 -0.96 114.28 120.20 1cr8 n THR 8 Ca 0.00 -0.49 -0.08 0.00 -3.05 0.00 0.00 64.05 60.43 1cr8 n THR 8 Cb 0.00 -1.98 -0.03 0.00 -1.55 0.00 0.00 70.33 66.77 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 13.45 -3.81 -4.68 1.09 5.75 -1.26 -4.82 116.55 122.26 1cr8 n ASP 9 Ca 0.46 0.19 -0.29 0.00 -0.01 0.00 0.00 54.79 55.14 1cr8 n ASP 9 Cb 0.35 -3.01 0.16 0.00 -1.03 0.00 0.00 41.12 37.60 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 -2.37 0.75 -0.10 0.11 8.01 -0.14 -4.51 118.70 120.45 1cr8 s GLU 10 Ca 0.00 0.74 -0.02 0.00 0.01 0.00 0.00 54.97 55.70 1cr8 s GLU 10 Cb 0.00 -1.76 -0.03 0.00 -4.31 0.00 0.00 34.13 28.03 1cr8 s GLU 10 CO 0.00 -2.57 -0.00 0.12 0.01 0.00 0.00 175.26 172.82 1cr8 s PHE 11 N -2.89 3.14 -0.19 1.61 5.36 0.03 -4.65 117.98 120.39 1cr8 s PHE 11 Ca 0.65 0.12 -0.03 0.00 -0.96 0.00 0.00 56.93 56.71 1cr8 s PHE 11 Cb -0.19 -1.82 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1cr8 s PHE 11 CO 0.58 0.39 -0.08 -1.14 -1.46 0.00 0.00 175.22 173.51 1cr8 s GLN 12 N -0.68 3.37 -0.12 10.12 0.74 -1.26 -0.65 119.66 131.18 1cr8 s GLN 12 Ca 0.11 -0.65 -0.25 0.00 0.05 0.00 0.00 55.36 54.61 1cr8 s GLN 12 Cb -0.12 -2.88 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1cr8 s GLN 12 CO 0.02 -0.07 0.82 0.00 -0.55 0.00 0.00 175.29 175.51 1cr8 n ARG 14 N 4.67 0.60 -0.08 0.00 0.00 -1.26 -1.27 116.66 119.31 1cr8 n ARG 14 Ca 0.03 0.02 -0.13 0.00 -0.00 0.00 0.00 57.85 57.77 1cr8 n ARG 14 Cb 0.50 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.41 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 0.00 0.69 0.00 6.15 7.12 -1.99 -3.44 115.31 123.84 1cr8 h LEU 15 Ca 0.00 -0.48 0.00 0.00 0.13 0.00 0.00 57.88 57.53 1cr8 h LEU 15 Cb 0.13 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.07 1cr8 h LEU 15 CO 0.00 1.03 -0.16 -0.90 -0.13 0.00 0.00 178.44 178.28 1cr8 n ASP 16 N -4.31 0.00 0.00 1.25 5.75 -1.18 -5.08 116.55 112.98 1cr8 n ASP 16 Ca -0.04 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1cr8 n ASP 16 Cb 0.46 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 1.75 -0.18 3.80 6.12 0.00 -0.40 -5.07 105.19 111.21 1cr8 n GLY 17 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.97 -0.19 0.99 2.34 -1.26 -4.64 118.68 118.91 1cr8 s LEU 18 Ca 0.00 1.60 0.00 0.00 0.06 0.00 0.00 54.13 55.79 1cr8 s LEU 18 Cb 0.00 -4.37 0.01 0.00 -0.56 0.00 0.00 46.19 41.27 1cr8 s LEU 18 CO 0.00 -1.71 -0.17 0.00 -1.06 0.00 0.00 176.35 173.41 1cr8 s ILE 20 N 1.30 1.25 -0.53 0.00 -5.25 0.17 -4.90 121.20 113.24 1cr8 s ILE 20 Ca 0.04 -1.13 -0.27 0.00 -0.99 0.00 0.00 60.65 58.30 1cr8 s ILE 20 Cb -0.13 -1.13 -0.01 0.00 2.95 0.00 0.00 42.46 44.13 1cr8 s ILE 20 CO -0.10 -0.01 1.69 -2.16 -1.79 0.00 0.00 174.94 172.57 1cr8 s PRO 21 N -1.31 3.03 0.18 0.37 0.04 -1.26 -0.79 135.00 135.26 1cr8 s PRO 21 Ca 0.02 0.74 0.23 0.00 0.04 0.00 0.00 61.00 62.04 1cr8 s PRO 21 Cb -0.09 -4.25 0.90 0.00 0.04 0.00 0.00 34.50 31.11 1cr8 s PRO 21 CO 0.02 -2.25 1.71 -0.11 0.04 0.00 0.00 177.00 176.41 1cr8 n LEU 22 N 11.06 0.53 0.26 -3.56 0.00 -1.26 -0.80 117.00 123.24 1cr8 n LEU 22 Ca 0.18 0.60 0.02 0.00 0.00 0.00 0.00 56.01 56.81 1cr8 n LEU 22 Cb 0.50 -0.48 0.10 0.00 0.00 0.00 0.00 43.42 43.54 1cr8 n LEU 22 CO 0.70 -0.35 0.91 0.08 0.00 0.00 0.00 177.39 178.73 1cr8 h ARG 23 N 0.00 0.00 -0.11 1.96 0.11 -1.88 -0.63 114.38 113.83 1cr8 h ARG 23 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1cr8 h ARG 23 Cb 0.47 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.51 1cr8 h ARG 23 CO 0.00 0.00 -0.34 0.91 0.10 0.00 0.00 179.97 180.64 1cr8 n TRP 24 N -2.23 0.35 -0.09 4.08 7.02 0.02 -4.70 117.44 121.89 1cr8 n TRP 24 Ca -0.00 -1.50 -0.03 0.00 -1.02 0.00 0.00 57.50 54.95 1cr8 n TRP 24 Cb 0.80 -0.32 0.01 0.00 -2.42 0.00 0.00 31.31 29.38 1cr8 n TRP 24 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1cr8 n ARG 25 N -1.13 1.14 -2.66 -0.99 1.74 -0.24 -4.58 116.66 109.93 1cr8 n ARG 25 Ca 0.23 -0.29 -0.04 0.00 -0.77 0.00 0.00 57.85 56.98 1cr8 n ARG 25 Cb 0.80 -1.11 0.03 0.00 -1.02 0.00 0.00 32.46 31.15 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 -0.21 0.09 0.00 0.00 5.75 -1.26 -5.07 116.55 115.85 1cr8 n ASP 27 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 1cr8 n ASP 27 Cb 0.69 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1cr8 n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cr8 n GLY 28 N 1.91 0.99 3.50 6.12 0.00 -1.26 -4.87 105.19 111.58 1cr8 n GLY 28 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.06 3.94 -0.39 1.61 -1.08 -1.26 -4.55 116.67 112.86 1cr8 s ASP 29 Ca 0.00 -0.55 0.02 0.00 -0.52 0.00 0.00 52.55 51.51 1cr8 s ASP 29 Cb 0.00 -0.57 0.11 0.00 -1.46 0.00 0.00 42.92 41.00 1cr8 s ASP 29 CO 0.00 0.18 0.13 0.42 0.52 0.00 0.00 175.17 176.42 1cr8 s THR 30 N -1.16 2.61 0.22 1.71 -4.23 -1.26 -4.96 115.64 108.56 1cr8 s THR 30 Ca 0.18 -2.46 0.01 0.00 -1.18 0.00 0.00 61.69 58.24 1cr8 s THR 30 Cb -0.11 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 1cr8 s THR 30 CO 0.11 -0.66 1.55 0.44 -0.54 0.00 0.00 174.62 175.51 1cr8 h ASP 31 N 7.51 0.45 -4.44 3.99 5.19 -1.91 -3.46 116.42 123.76 1cr8 h ASP 31 Ca -0.06 -0.24 -0.49 0.00 -0.62 0.00 0.00 57.03 55.61 1cr8 h ASP 31 Cb 1.00 -0.13 0.07 0.00 0.18 0.00 0.00 39.33 40.46 1cr8 h ASP 31 CO 0.59 0.91 0.41 0.00 -3.12 0.00 0.00 179.24 178.03 1cr8 h MET 33 N -0.59 0.00 0.00 0.00 4.05 -1.95 -3.37 114.93 113.07 1cr8 h MET 33 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1cr8 h MET 33 Cb 1.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 1cr8 h MET 33 CO 0.63 0.00 0.00 -3.47 0.23 0.00 0.00 176.91 174.30 1cr8 n ASP 34 N -2.79 0.00 0.00 1.39 -0.08 -1.26 -5.09 116.55 108.71 1cr8 n ASP 34 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1cr8 n ASP 34 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 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 0.00 0.00 0.00 1.67 3.41 -1.26 -4.92 113.62 112.52 1cr8 n SER 35 Ca 0.00 -0.35 0.12 0.00 -0.26 0.00 0.00 58.87 58.37 1cr8 n SER 35 Cb 0.00 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.53 1cr8 n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1cr8 n SER 36 N 0.00 0.00 -0.26 4.04 2.88 -1.26 -0.68 113.62 118.34 1cr8 n SER 36 Ca 0.00 0.08 0.03 0.00 -1.33 0.00 0.00 58.87 57.66 1cr8 n SER 36 Cb 0.11 -0.34 0.17 0.00 -0.75 0.00 0.00 64.21 63.39 1cr8 n SER 36 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1cr8 h ASP 37 N 0.00 0.43 0.00 -3.46 2.03 -1.93 -3.39 116.42 110.10 1cr8 h ASP 37 Ca 0.00 0.08 -0.04 0.00 -0.73 0.00 0.00 57.03 56.34 1cr8 h ASP 37 Cb 0.27 0.01 -0.07 0.00 -0.83 0.00 0.00 39.33 38.72 1cr8 h ASP 37 CO 0.00 0.22 -0.46 -1.84 -1.03 0.00 0.00 179.24 176.13 1cr8 n GLU 38 N -4.90 0.00 0.00 4.15 0.00 -0.01 -4.16 120.64 115.72 1cr8 n GLU 38 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 57.16 56.35 1cr8 n GLU 38 Cb 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 31.44 31.53 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 0.08 0.00 -0.28 3.44 3.00 0.14 -0.43 118.16 124.11 1cr8 n LYS 39 Ca -0.01 0.17 0.02 0.00 -0.00 0.00 0.00 58.31 58.49 1cr8 n LYS 39 Cb 0.73 -1.52 0.03 0.00 0.00 0.00 0.00 35.03 34.27 1cr8 n LYS 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1cr8 n SER 40 N -1.14 0.64 -2.98 3.14 2.88 -1.26 -4.88 113.62 110.02 1cr8 n SER 40 Ca 0.00 -2.04 -0.26 0.00 -1.33 0.00 0.00 58.87 55.24 1cr8 n SER 40 Cb 0.02 -0.20 -0.04 0.00 -0.75 0.00 0.00 64.21 63.24 1cr8 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cr8 n GLU 42 N -0.15 -0.88 -2.44 0.00 1.02 -1.25 -4.49 120.64 112.44 1cr8 n GLU 42 Ca 0.30 0.18 -0.43 0.00 -0.02 0.00 0.00 57.16 57.19 1cr8 n GLU 42 Cb 0.43 -4.19 -0.02 0.00 -0.02 0.00 0.00 31.44 27.64 1cr8 n GLU 42 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1cr8 s GLY 43 N -1.65 1.17 0.00 0.62 0.00 -1.15 -4.96 107.32 101.35 1cr8 s GLY 43 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1cr8 s GLY 43 CO 0.00 2.64 0.49 3.33 0.00 0.00 0.00 173.10 179.55