#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 4.87 2.54 0.55 0.00 -1.26 -5.17 105.19 106.73 1cr8 n GLY 4 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 -1.82 1.02 -0.02 0.00 -1.26 -5.00 105.19 98.11 1cr8 n GLY 5 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.25 -0.65 -1.46 0.00 8.25 -1.26 -5.05 115.22 112.80 1cr8 n HIS 7 Ca 0.00 -0.88 -0.45 0.00 -0.26 0.00 0.00 57.72 56.12 1cr8 n HIS 7 Cb 0.00 0.17 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 1cr8 n HIS 7 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1cr8 n THR 8 N -0.21 0.04 -0.95 1.59 5.66 -1.26 -0.87 114.28 118.28 1cr8 n THR 8 Ca 0.01 -0.27 -0.06 0.00 -3.05 0.00 0.00 64.05 60.68 1cr8 n THR 8 Cb 0.21 -1.41 -0.02 0.00 -1.55 0.00 0.00 70.33 67.56 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 11.17 -3.70 -4.70 1.09 5.75 -1.26 -4.81 116.55 120.09 1cr8 n ASP 9 Ca 0.50 0.14 -0.30 0.00 -0.01 0.00 0.00 54.79 55.11 1cr8 n ASP 9 Cb 0.21 -2.78 0.14 0.00 -1.03 0.00 0.00 41.12 37.66 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 -2.06 1.34 -0.17 0.11 8.01 -0.05 -4.52 118.70 121.36 1cr8 s GLU 10 Ca 0.00 1.20 -0.07 0.00 0.01 0.00 0.00 54.97 56.11 1cr8 s GLU 10 Cb 0.00 -1.79 -0.04 0.00 -4.31 0.00 0.00 34.13 27.99 1cr8 s GLU 10 CO 0.00 -2.29 0.06 0.12 0.01 0.00 0.00 175.26 173.16 1cr8 s PHE 11 N -2.78 3.27 -0.30 1.61 5.36 0.05 -4.48 117.98 120.70 1cr8 s PHE 11 Ca 0.64 0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 56.65 1cr8 s PHE 11 Cb -0.20 -2.05 0.01 0.00 -0.34 0.00 0.00 43.02 40.44 1cr8 s PHE 11 CO 0.58 0.22 0.09 -1.14 -1.46 0.00 0.00 175.22 173.51 1cr8 s GLN 12 N 0.17 3.15 0.93 10.12 0.74 -1.26 -0.73 119.66 132.78 1cr8 s GLN 12 Ca 0.05 -0.82 -0.12 0.00 0.05 0.00 0.00 55.36 54.51 1cr8 s GLN 12 Cb -0.12 -3.41 0.15 0.00 1.10 0.00 0.00 33.01 30.73 1cr8 s GLN 12 CO 0.00 -0.43 1.12 0.00 -0.55 0.00 0.00 175.29 175.43 1cr8 n ARG 14 N -3.89 2.27 0.00 0.00 0.00 -1.26 -3.35 116.66 110.43 1cr8 n ARG 14 Ca 0.06 -0.53 -0.00 0.00 -0.00 0.00 0.00 57.85 57.38 1cr8 n ARG 14 Cb 0.58 -1.03 -0.00 0.00 0.00 0.00 0.00 32.46 32.01 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 0.90 -0.01 -1.82 6.15 7.12 -1.98 -3.43 115.31 122.24 1cr8 h LEU 15 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1cr8 h LEU 15 Cb 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 1cr8 h LEU 15 CO 0.00 0.02 0.00 0.47 -0.13 0.00 0.00 178.44 178.80 1cr8 n ASP 16 N -2.17 1.57 0.00 1.25 9.92 -1.26 -5.02 116.55 120.84 1cr8 n ASP 16 Ca -0.00 -1.44 0.00 0.00 -0.53 0.00 0.00 54.79 52.81 1cr8 n ASP 16 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1cr8 n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cr8 n GLY 17 N -0.04 0.58 3.86 0.44 0.00 -1.21 -5.03 105.19 103.79 1cr8 n GLY 17 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 2.86 -0.20 0.99 0.05 -1.26 -4.47 118.68 116.65 1cr8 s LEU 18 Ca 0.00 1.20 -0.03 0.00 0.05 0.00 0.00 54.13 55.35 1cr8 s LEU 18 Cb 0.00 -3.98 -0.01 0.00 -2.05 0.00 0.00 46.19 40.15 1cr8 s LEU 18 CO 0.00 -1.46 -0.05 0.00 -0.55 0.00 0.00 176.35 174.29 1cr8 s ILE 20 N 1.12 1.35 -0.53 0.00 -5.25 0.09 -4.90 121.20 113.08 1cr8 s ILE 20 Ca 0.02 -1.23 -0.27 0.00 -0.99 0.00 0.00 60.65 58.18 1cr8 s ILE 20 Cb -0.15 -1.23 -0.01 0.00 2.95 0.00 0.00 42.46 44.02 1cr8 s ILE 20 CO -0.01 -0.02 1.76 -2.16 -1.79 0.00 0.00 174.94 172.72 1cr8 s PRO 21 N -1.45 2.94 0.17 0.37 0.04 -1.26 -0.77 135.00 135.03 1cr8 s PRO 21 Ca 0.03 0.79 0.22 0.00 0.04 0.00 0.00 61.00 62.08 1cr8 s PRO 21 Cb -0.09 -4.29 0.88 0.00 0.04 0.00 0.00 34.50 31.04 1cr8 s PRO 21 CO 0.02 -2.36 1.66 -0.11 0.04 0.00 0.00 177.00 176.26 1cr8 n LEU 22 N 11.52 0.47 0.17 -3.56 0.00 -1.26 -0.86 117.00 123.47 1cr8 n LEU 22 Ca 0.19 0.60 0.05 0.00 0.00 0.00 0.00 56.01 56.86 1cr8 n LEU 22 Cb 0.50 -0.52 0.26 0.00 0.00 0.00 0.00 43.42 43.66 1cr8 n LEU 22 CO 0.70 -0.41 0.80 0.08 0.00 0.00 0.00 177.39 178.56 1cr8 h ARG 23 N 0.00 0.00 -0.43 1.96 0.11 -1.89 -0.91 114.38 113.22 1cr8 h ARG 23 Ca 0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 1cr8 h ARG 23 Cb 0.38 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.39 1cr8 h ARG 23 CO 0.00 0.00 0.07 0.91 0.10 0.00 0.00 179.97 181.05 1cr8 n TRP 24 N -2.00 1.44 0.62 4.08 7.02 -0.04 -4.59 117.44 123.97 1cr8 n TRP 24 Ca -0.01 -1.17 0.02 0.00 -1.02 0.00 0.00 57.50 55.32 1cr8 n TRP 24 Cb 0.46 -0.48 0.09 0.00 -2.42 0.00 0.00 31.31 28.96 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 -0.57 1.86 -2.72 -0.99 1.74 -0.35 -4.58 116.66 111.06 1cr8 n ARG 25 Ca 0.30 -0.70 -0.08 0.00 -0.77 0.00 0.00 57.85 56.61 1cr8 n ARG 25 Cb 1.08 -1.65 0.09 0.00 -1.02 0.00 0.00 32.46 30.96 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 0.67 0.00 0.00 0.00 5.75 -1.26 -5.07 116.55 116.64 1cr8 n ASP 27 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1cr8 n ASP 27 Cb 0.70 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 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 0.54 1.07 3.61 6.12 0.00 -1.26 -5.00 105.19 110.27 1cr8 n GLY 28 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.59 6.58 -1.22 1.61 -1.08 -1.26 -4.98 116.67 115.73 1cr8 s ASP 29 Ca 0.00 0.54 -0.21 0.00 -0.52 0.00 0.00 52.55 52.36 1cr8 s ASP 29 Cb 0.00 -2.37 -0.05 0.00 -1.46 0.00 0.00 42.92 39.04 1cr8 s ASP 29 CO 0.00 -0.55 1.88 0.35 0.52 0.00 0.00 175.17 177.37 1cr8 n THR 30 N 5.47 2.47 0.23 1.71 -2.24 -1.26 -4.67 114.28 115.99 1cr8 n THR 30 Ca 0.01 -2.57 0.11 0.00 -2.27 0.00 0.00 64.05 59.33 1cr8 n THR 30 Cb 0.48 -2.22 -0.10 0.00 -2.10 0.00 0.00 70.33 66.39 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 12.72 0.37 -4.68 3.42 5.68 -1.26 -4.70 116.55 128.10 1cr8 n ASP 31 Ca 0.46 -0.10 -0.30 0.00 -0.50 0.00 0.00 54.79 54.35 1cr8 n ASP 31 Cb 0.46 1.41 0.15 0.00 -1.14 0.00 0.00 41.12 42.01 1cr8 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cr8 h MET 33 N -1.72 0.00 0.00 0.00 4.05 -1.95 -3.37 114.93 111.95 1cr8 h MET 33 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1cr8 h MET 33 Cb 1.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1cr8 h MET 33 CO 0.49 0.00 0.00 -0.40 0.23 0.00 0.00 176.91 177.23 1cr8 n ASP 34 N -2.54 0.06 0.00 1.39 5.75 -1.26 -5.06 116.55 114.89 1cr8 n ASP 34 Ca -0.01 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 1cr8 n ASP 34 Cb 0.69 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 1cr8 n ASP 34 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1cr8 n SER 35 N -2.64 0.00 -0.24 -1.12 3.41 -1.26 -4.88 113.62 106.89 1cr8 n SER 35 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1cr8 n SER 35 Cb 0.00 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.82 -0.30 4.04 2.88 -1.26 -1.17 113.62 118.63 1cr8 n SER 36 Ca 0.00 -1.07 -0.09 0.00 -1.33 0.00 0.00 58.87 56.38 1cr8 n SER 36 Cb 0.00 -0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.40 1cr8 n SER 36 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1cr8 h ASP 37 N 1.20 -1.76 0.00 -3.46 5.19 -1.89 -3.42 116.42 112.28 1cr8 h ASP 37 Ca 0.00 0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1cr8 h ASP 37 Cb 0.34 0.80 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1cr8 h ASP 37 CO 0.00 -0.30 -0.05 -1.84 -3.12 0.00 0.00 179.24 173.93 1cr8 n GLU 38 N -5.36 0.00 0.00 3.56 0.28 -0.42 -4.53 120.64 114.17 1cr8 n GLU 38 Ca 0.03 -0.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1cr8 n GLU 38 Cb 0.33 -0.09 0.00 0.00 1.43 0.00 0.00 31.44 33.11 1cr8 n GLU 38 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1cr8 n LYS 39 N 0.00 0.00 -0.55 3.44 4.81 -0.31 -0.80 118.16 124.75 1cr8 n LYS 39 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1cr8 n LYS 39 Cb 0.52 -0.94 -0.00 0.00 0.02 0.00 0.00 35.03 34.63 1cr8 n LYS 39 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1cr8 n SER 40 N 0.09 -0.06 -3.37 3.14 7.64 -1.26 -5.00 113.62 114.80 1cr8 n SER 40 Ca 0.00 -1.20 -0.26 0.00 1.01 0.00 0.00 58.87 58.42 1cr8 n SER 40 Cb 0.00 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1cr8 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cr8 n GLU 42 N 1.68 0.00 0.00 0.00 2.13 -1.26 -4.56 120.64 118.63 1cr8 n GLU 42 Ca 0.25 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1cr8 n GLU 42 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 1cr8 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cr8 n GLY 43 N 0.00 1.00 0.94 8.31 0.00 -1.26 -4.73 105.19 109.45 1cr8 n GLY 43 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1cr8 n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87