#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr8 s SER 2 N 0.00 1.14 -0.42 1.61 0.01 -1.26 -5.11 113.70 109.68 2cr8 s SER 2 Ca 0.00 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.35 2cr8 s SER 2 Cb 0.00 -0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.27 2cr8 s SER 2 CO 0.00 -0.25 0.17 -0.55 0.41 0.00 0.00 173.24 173.02 2cr8 s SER 3 N 2.19 4.92 0.38 2.44 0.15 -1.26 -5.01 113.70 117.51 2cr8 s SER 3 Ca 0.05 -2.31 0.00 0.00 0.70 0.00 0.00 55.95 54.38 2cr8 s SER 3 Cb -0.12 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2cr8 s SER 3 CO -0.04 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2cr8 n GLY 4 N 4.12 -3.92 3.14 9.45 0.00 -1.26 -4.87 105.19 111.85 2cr8 n GLY 4 Ca 0.02 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 2cr8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr8 s SER 5 N -3.74 5.38 -1.40 1.61 0.15 -1.26 -4.74 113.70 109.70 2cr8 s SER 5 Ca 0.00 -2.01 -0.14 0.00 0.70 0.00 0.00 55.95 54.50 2cr8 s SER 5 Cb 0.00 -1.88 0.14 0.00 -1.71 0.00 0.00 66.02 62.57 2cr8 s SER 5 CO 0.00 -0.59 0.36 -0.24 1.20 0.00 0.00 173.24 173.97 2cr8 n SER 6 N 4.67 -0.91 -4.22 5.45 2.88 -1.26 -4.86 113.62 115.38 2cr8 n SER 6 Ca -0.04 -0.97 -0.13 0.00 -1.33 0.00 0.00 58.87 56.41 2cr8 n SER 6 Cb 0.41 -1.23 -0.10 0.00 -0.75 0.00 0.00 64.21 62.54 2cr8 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cr8 s GLY 7 N -3.05 1.47 0.25 0.46 0.00 -1.26 -5.17 107.32 100.02 2cr8 s GLY 7 Ca 0.50 -1.72 0.06 0.00 0.00 0.00 0.00 44.72 43.56 2cr8 s GLY 7 CO 0.79 -1.43 0.33 -0.45 0.00 0.00 0.00 173.10 172.34 2cr8 s SER 8 N -3.18 6.09 -0.51 1.64 0.15 -1.26 -4.98 113.70 111.66 2cr8 s SER 8 Ca 0.38 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 57.01 2cr8 s SER 8 Cb 0.07 -1.69 0.45 0.00 -1.71 0.00 0.00 66.02 63.14 2cr8 s SER 8 CO 0.12 -0.10 1.65 -0.62 1.20 0.00 0.00 173.24 175.49 2cr8 n GLU 9 N -1.37 3.11 -1.59 5.44 4.71 -1.26 -4.68 120.64 125.00 2cr8 n GLU 9 Ca -0.08 -3.70 -0.32 0.00 -0.01 0.00 0.00 57.16 53.05 2cr8 n GLU 9 Cb 0.57 -2.28 0.06 0.00 -1.01 0.00 0.00 31.44 28.78 2cr8 n GLU 9 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2cr8 n ASP 10 N -0.81 6.82 -4.87 1.62 2.03 -1.26 -4.99 116.55 115.09 2cr8 n ASP 10 Ca 0.54 -3.78 -0.36 0.00 0.52 0.00 0.00 54.79 51.71 2cr8 n ASP 10 Cb 0.78 -0.78 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2cr8 n ASP 10 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2cr8 s GLU 11 N -3.77 3.66 0.06 -0.67 2.02 -1.26 -3.98 118.70 114.77 2cr8 s GLU 11 Ca 0.60 0.07 -0.21 0.00 0.02 0.00 0.00 54.97 55.45 2cr8 s GLU 11 Cb 0.47 -3.13 -0.06 0.00 0.10 0.00 0.00 34.13 31.51 2cr8 s GLU 11 CO -0.02 0.67 0.64 1.67 0.02 0.00 0.00 175.26 178.24 2cr8 s TRP 12 N -1.20 3.78 0.18 1.61 1.48 -0.17 -4.73 118.94 119.89 2cr8 s TRP 12 Ca 0.25 1.34 -0.27 0.00 -1.06 0.00 0.00 56.10 56.35 2cr8 s TRP 12 Cb -0.14 -2.61 -0.08 0.00 -1.16 0.00 0.00 33.47 29.48 2cr8 s TRP 12 CO 0.13 0.47 0.85 -1.14 -4.06 0.00 0.00 176.95 173.20 2cr8 s GLN 13 N -0.73 4.67 0.70 3.25 0.74 -1.26 -1.97 119.66 125.06 2cr8 s GLN 13 Ca 0.32 1.29 -0.10 0.00 0.05 0.00 0.00 55.36 56.91 2cr8 s GLN 13 Cb -0.20 -3.29 0.03 0.00 1.10 0.00 0.00 33.01 30.65 2cr8 s GLN 13 CO 0.20 0.50 1.07 0.00 -0.55 0.00 0.00 175.29 176.51 2cr8 n THR 15 N -2.97 1.00 -0.00 0.00 5.66 -1.26 -3.66 114.28 113.05 2cr8 n THR 15 Ca 0.07 -0.63 -0.00 0.00 -3.05 0.00 0.00 64.05 60.43 2cr8 n THR 15 Cb 0.58 -0.56 -0.00 0.00 -1.55 0.00 0.00 70.33 68.80 2cr8 n THR 15 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2cr8 h GLU 16 N 0.00 0.00 0.00 1.09 3.07 -1.96 -3.40 114.58 113.38 2cr8 h GLU 16 Ca -0.39 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.39 2cr8 h GLU 16 Cb 1.89 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.78 2cr8 h GLU 16 CO 0.02 0.00 -0.65 0.00 -1.40 0.00 0.00 179.01 176.98 2cr8 n LYS 18 N -3.04 -4.78 -4.84 0.00 4.76 -1.24 -4.99 118.16 104.03 2cr8 n LYS 18 Ca -0.00 0.56 -0.31 0.00 -2.87 0.00 0.00 58.31 55.68 2cr8 n LYS 18 Cb 0.68 -4.73 -0.13 0.00 -1.84 0.00 0.00 35.03 29.01 2cr8 n LYS 18 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2cr8 s LYS 19 N -5.33 2.23 0.33 1.97 2.47 -1.26 -4.66 119.74 115.50 2cr8 s LYS 19 Ca 0.17 -0.87 -0.28 0.00 -1.56 0.00 0.00 55.97 53.43 2cr8 s LYS 19 Cb -0.08 -2.24 -0.10 0.00 -1.46 0.00 0.00 37.83 33.96 2cr8 s LYS 19 CO 0.48 0.57 1.28 -0.06 0.16 0.00 0.00 175.35 177.78 2cr8 s PHE 20 N -0.81 3.09 0.02 4.03 0.08 -1.26 -2.63 117.98 120.50 2cr8 s PHE 20 Ca 0.13 1.45 -0.10 0.00 0.12 0.00 0.00 56.93 58.53 2cr8 s PHE 20 Cb -0.10 -3.62 0.01 0.00 -0.57 0.00 0.00 43.02 38.73 2cr8 s PHE 20 CO 0.03 -1.71 0.20 -0.80 -0.10 0.00 0.00 175.22 172.84 2cr8 s ASN 21 N -0.57 -0.01 0.43 1.36 0.01 -0.83 -4.96 114.94 110.37 2cr8 s ASN 21 Ca 0.49 -0.24 -0.24 0.00 -0.71 0.00 0.00 52.86 52.17 2cr8 s ASN 21 Cb -0.38 0.27 -0.11 0.00 0.41 0.00 0.00 41.25 41.43 2cr8 s ASN 21 CO 0.51 -0.48 0.88 -1.20 -1.51 0.00 0.00 177.10 175.30 2cr8 n SER 22 N 1.03 0.65 -0.03 -1.22 7.64 -1.26 -1.00 113.62 119.42 2cr8 n SER 22 Ca -0.21 0.99 -0.13 0.00 1.01 0.00 0.00 58.87 60.54 2cr8 n SER 22 Cb 0.57 -1.29 -0.08 0.00 -1.01 0.00 0.00 64.21 62.40 2cr8 n SER 22 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2cr8 h PRO 23 N 1.28 0.18 -0.84 1.43 0.13 -1.94 -3.23 132.00 129.02 2cr8 h PRO 23 Ca -0.43 -0.10 0.20 0.00 -0.87 0.00 0.00 66.00 64.80 2cr8 h PRO 23 Cb 1.36 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.37 2cr8 h PRO 23 CO 0.55 0.62 0.29 1.03 -0.23 0.00 0.00 178.00 180.26 2cr8 h SER 24 N -0.25 0.16 -4.26 1.44 0.87 -1.91 -3.41 113.55 106.19 2cr8 h SER 24 Ca 0.01 0.16 -0.52 0.00 -1.23 0.00 0.00 61.79 60.21 2cr8 h SER 24 Cb 0.58 0.18 0.17 0.00 -0.44 0.00 0.00 62.40 62.90 2cr8 h SER 24 CO 0.02 -0.04 0.28 -0.54 -0.53 0.00 0.00 176.83 176.02 2cr8 s LYS 25 N -5.95 1.51 -0.11 2.24 1.02 -1.22 -5.00 119.74 112.24 2cr8 s LYS 25 Ca -0.12 1.50 -0.06 0.00 0.02 0.00 0.00 55.97 57.31 2cr8 s LYS 25 Cb 0.24 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.71 2cr8 s LYS 25 CO 0.77 -2.25 -0.15 0.54 -0.92 0.00 0.00 175.35 173.33 2cr8 n ARG 26 N -3.79 0.25 -2.94 1.68 3.00 -1.26 -4.96 116.66 108.63 2cr8 n ARG 26 Ca 0.11 0.11 -0.31 0.00 -0.01 0.00 0.00 57.85 57.75 2cr8 n ARG 26 Cb 0.52 -0.92 -0.04 0.00 0.00 0.00 0.00 32.46 32.02 2cr8 n ARG 26 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2cr8 s TYR 27 N -2.24 3.44 -0.37 -1.55 1.51 -1.26 -3.99 117.35 112.89 2cr8 s TYR 27 Ca -0.16 1.10 -0.23 0.00 -1.01 0.00 0.00 57.07 56.78 2cr8 s TYR 27 Cb 0.06 -2.48 0.01 0.00 -0.11 0.00 0.00 41.96 39.44 2cr8 s TYR 27 CO 0.21 -0.05 0.76 0.00 -1.11 0.00 0.00 175.55 175.36 2cr8 n PHE 29 N 6.38 0.00 -0.08 0.00 7.35 -1.26 0.21 117.46 130.06 2cr8 n PHE 29 Ca 0.02 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.49 2cr8 n PHE 29 Cb 0.48 -0.06 -0.12 0.00 0.35 0.00 0.00 39.48 40.13 2cr8 n PHE 29 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2cr8 n ARG 30 N -1.06 0.61 -0.11 -4.13 3.00 -1.26 -4.57 116.66 109.13 2cr8 n ARG 30 Ca 0.12 0.50 0.04 0.00 -0.00 0.00 0.00 57.85 58.51 2cr8 n ARG 30 Cb 0.07 -1.74 0.05 0.00 0.00 0.00 0.00 32.46 30.85 2cr8 n ARG 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cr8 n TRP 32 N -0.70 -1.69 -4.24 0.00 7.02 0.57 -4.92 117.44 113.49 2cr8 n TRP 32 Ca 0.06 0.52 -0.34 0.00 -1.02 0.00 0.00 57.50 56.72 2cr8 n TRP 32 Cb 0.51 -2.52 -0.13 0.00 -2.42 0.00 0.00 31.31 26.74 2cr8 n TRP 32 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2cr8 s ALA 33 N -2.94 2.93 0.01 6.99 0.00 -1.20 -4.77 121.76 122.78 2cr8 s ALA 33 Ca 0.50 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 2cr8 s ALA 33 Cb -0.27 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 2cr8 s ALA 33 CO 0.61 -0.04 0.93 -1.17 0.00 0.00 0.00 175.76 176.10 2cr8 s LEU 34 N 0.80 4.39 0.34 0.00 2.96 -1.26 -2.05 118.68 123.85 2cr8 s LEU 34 Ca -0.01 1.61 -0.29 0.00 -0.22 0.00 0.00 54.13 55.22 2cr8 s LEU 34 Cb -0.15 -3.49 -0.12 0.00 0.50 0.00 0.00 46.19 42.94 2cr8 s LEU 34 CO 0.02 -0.19 1.47 -2.11 -1.32 0.00 0.00 176.35 174.21 2cr8 n ARG 35 N 3.63 2.52 -2.75 1.98 0.00 -1.26 -5.00 116.66 115.78 2cr8 n ARG 35 Ca 0.04 0.89 -0.23 0.00 -0.00 0.00 0.00 57.85 58.55 2cr8 n ARG 35 Cb 0.51 -2.59 0.03 0.00 -0.00 0.00 0.00 32.46 30.40 2cr8 n ARG 35 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2cr8 s LYS 36 N -1.47 2.80 -0.01 2.89 1.02 -1.26 -5.10 119.74 118.60 2cr8 s LYS 36 Ca 0.58 -0.55 -0.01 0.00 0.02 0.00 0.00 55.97 56.01 2cr8 s LYS 36 Cb -0.52 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 2cr8 s LYS 36 CO 0.58 -0.54 0.04 0.34 -0.92 0.00 0.00 175.35 174.85 2cr8 s ASP 37 N -4.32 -0.02 -0.15 2.83 -1.08 -1.26 -5.15 116.67 107.52 2cr8 s ASP 37 Ca 0.53 0.04 -0.01 0.00 -0.52 0.00 0.00 52.55 52.59 2cr8 s ASP 37 Cb -0.10 0.08 -0.01 0.00 -1.46 0.00 0.00 42.92 41.42 2cr8 s ASP 37 CO 0.39 -0.03 -0.11 -1.66 0.52 0.00 0.00 175.17 174.27 2cr8 s TRP 38 N -0.08 2.85 -0.18 -5.34 -2.14 -1.26 -5.01 118.94 107.79 2cr8 s TRP 38 Ca -0.01 -0.71 -0.17 0.00 2.66 0.00 0.00 56.10 57.87 2cr8 s TRP 38 Cb -0.01 -1.89 -0.22 0.00 -3.10 0.00 0.00 33.47 28.25 2cr8 s TRP 38 CO 0.00 -0.28 0.29 -0.92 -2.66 0.00 0.00 176.95 173.38 2cr8 h TYR 39 N 6.97 0.17 -5.57 1.66 3.20 -2.09 -3.49 116.97 117.82 2cr8 h TYR 39 Ca -0.29 -0.12 -0.34 0.00 3.14 0.00 0.00 58.73 61.12 2cr8 h TYR 39 Cb 1.20 -0.01 0.16 0.00 1.54 0.00 0.00 36.73 39.62 2cr8 h TYR 39 CO 0.52 1.58 -0.72 0.43 -1.64 0.00 0.00 178.16 178.32 2cr8 n SER 40 N -4.13 -3.08 -4.66 -2.11 7.64 -1.26 -4.85 113.62 101.17 2cr8 n SER 40 Ca -0.31 -0.58 -0.55 0.00 1.01 0.00 0.00 58.87 58.43 2cr8 n SER 40 Cb 0.80 -4.96 -0.07 0.00 -1.01 0.00 0.00 64.21 58.98 2cr8 n SER 40 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2cr8 n ASP 41 N -3.01 2.08 0.01 6.43 -0.08 -1.26 -4.81 116.55 115.90 2cr8 n ASP 41 Ca -0.21 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.16 2cr8 n ASP 41 Cb 0.64 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 42.93 2cr8 n ASP 41 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2cr8 s SER 43 N -5.03 0.57 -0.08 0.00 1.04 -1.26 -5.16 113.70 103.78 2cr8 s SER 43 Ca 0.00 -1.26 0.05 0.00 0.48 0.00 0.00 55.95 55.21 2cr8 s SER 43 Cb 0.00 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.37 2cr8 s SER 43 CO 0.00 -0.72 -0.22 -1.59 0.98 0.00 0.00 173.24 171.69 2cr8 s LYS 44 N -4.04 2.76 -0.83 4.02 0.00 -1.26 -5.07 119.74 115.32 2cr8 s LYS 44 Ca 0.29 -0.84 -0.25 0.00 0.00 0.00 0.00 55.97 55.17 2cr8 s LYS 44 Cb 0.07 -2.28 0.00 0.00 0.00 0.00 0.00 37.83 35.62 2cr8 s LYS 44 CO 0.06 0.35 1.64 -1.17 0.00 0.00 0.00 175.35 176.23 2cr8 s LEU 45 N -0.06 3.28 0.60 2.77 2.96 -1.26 -4.81 118.68 122.16 2cr8 s LEU 45 Ca -0.06 -0.58 0.21 0.00 -0.22 0.00 0.00 54.13 53.48 2cr8 s LEU 45 Cb -0.14 -2.56 1.14 0.00 0.50 0.00 0.00 46.19 45.13 2cr8 s LEU 45 CO 0.05 -2.12 1.62 0.00 -1.32 0.00 0.00 176.35 174.57 2cr8 h THR 46 N 6.76 0.00 -3.07 3.68 1.03 -2.01 -3.39 112.91 115.91 2cr8 h THR 46 Ca -0.05 0.00 -0.60 0.00 -0.01 0.00 0.00 66.41 65.75 2cr8 h THR 46 Cb 1.05 0.46 -0.04 0.00 -1.07 0.00 0.00 68.15 68.56 2cr8 h THR 46 CO 1.29 0.00 -0.36 -1.00 -0.01 0.00 0.00 175.52 175.44 2cr8 s HIS 47 N -3.92 3.51 -0.05 0.00 3.76 -1.26 -5.02 115.29 112.31 2cr8 s HIS 47 Ca -0.02 0.51 -0.03 0.00 -0.15 0.00 0.00 55.06 55.37 2cr8 s HIS 47 Cb 0.06 -1.96 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 2cr8 s HIS 47 CO 0.19 0.50 -0.08 -1.13 -0.85 0.00 0.00 174.74 173.37 2cr8 n SER 48 N 0.34 0.53 0.00 1.40 3.41 -1.26 -4.98 113.62 113.06 2cr8 n SER 48 Ca -0.05 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2cr8 n SER 48 Cb 0.52 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2cr8 n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr8 n GLY 49 N 2.68 1.78 1.52 5.00 0.00 -1.26 -5.00 105.19 109.91 2cr8 n GLY 49 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2cr8 n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr8 n PRO 50 N -0.10 -1.96 -3.68 1.61 -0.04 -1.26 -5.09 135.00 124.47 2cr8 n PRO 50 Ca 0.00 -0.76 -0.10 0.00 -0.04 0.00 0.00 63.50 62.60 2cr8 n PRO 50 Cb 0.00 -0.71 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 2cr8 n PRO 50 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr8 s SER 51 N -2.79 -0.54 0.52 3.54 0.15 -1.26 -4.87 113.70 108.45 2cr8 s SER 51 Ca 0.31 0.99 0.01 0.00 0.70 0.00 0.00 55.95 57.96 2cr8 s SER 51 Cb -0.03 0.94 0.02 0.00 -1.71 0.00 0.00 66.02 65.24 2cr8 s SER 51 CO 0.24 -0.20 0.74 -0.94 1.20 0.00 0.00 173.24 174.27 2cr8 s SER 52 N 1.61 5.43 0.00 5.45 1.04 -1.26 -5.22 113.70 120.74 2cr8 s SER 52 Ca -0.09 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2cr8 s SER 52 Cb -0.08 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 65.01 2cr8 s SER 52 CO -0.14 -1.01 0.26 0.61 0.98 0.00 0.00 173.24 173.94