#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 0.49 -1.65 1.61 0.15 -1.26 -4.84 113.70 108.20 2cr8 s SER 2 Ca 0.00 -0.37 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 2cr8 s SER 2 Cb 0.00 0.03 0.13 0.00 -1.71 0.00 0.00 66.02 64.47 2cr8 s SER 2 CO 0.00 -0.16 0.70 -1.54 1.20 0.00 0.00 173.24 173.44 2cr8 n SER 3 N 2.00 -2.65 -4.61 5.45 3.41 -1.26 -4.88 113.62 111.08 2cr8 n SER 3 Ca -0.20 -1.02 -0.42 0.00 -0.26 0.00 0.00 58.87 56.97 2cr8 n SER 3 Cb 0.56 -2.76 -0.05 0.00 -0.26 0.00 0.00 64.21 61.70 2cr8 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cr8 s GLY 4 N -3.51 1.72 -0.32 5.00 0.00 -1.26 -4.93 107.32 104.02 2cr8 s GLY 4 Ca 0.59 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.93 2cr8 s GLY 4 CO 0.93 1.70 1.17 -1.26 0.00 0.00 0.00 173.10 175.64 2cr8 n SER 5 N 6.13 4.81 -0.11 1.64 2.88 -1.26 -4.74 113.62 122.97 2cr8 n SER 5 Ca 0.03 -3.71 -0.25 0.00 -1.33 0.00 0.00 58.87 53.61 2cr8 n SER 5 Cb 0.48 -0.37 -0.11 0.00 -0.75 0.00 0.00 64.21 63.46 2cr8 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cr8 n SER 6 N -0.66 1.95 0.00 -3.46 3.41 -1.26 -5.02 113.62 108.58 2cr8 n SER 6 Ca 0.42 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 2cr8 n SER 6 Cb 0.90 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2cr8 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr8 n GLY 7 N 1.53 1.61 2.86 5.00 0.00 -1.26 -3.82 105.19 111.10 2cr8 n GLY 7 Ca -0.45 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 2cr8 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr8 s SER 8 N -4.00 4.16 -0.24 1.61 1.04 -1.26 -5.06 113.70 109.94 2cr8 s SER 8 Ca 0.00 -3.11 0.01 0.00 0.48 0.00 0.00 55.95 53.33 2cr8 s SER 8 Cb 0.00 -1.45 0.04 0.00 0.10 0.00 0.00 66.02 64.71 2cr8 s SER 8 CO 0.00 -0.20 -0.11 -1.61 0.98 0.00 0.00 173.24 172.30 2cr8 s GLU 9 N -0.39 2.53 -0.56 4.02 8.01 -1.25 -5.08 118.70 125.98 2cr8 s GLU 9 Ca 0.19 -1.16 -0.20 0.00 0.01 0.00 0.00 54.97 53.82 2cr8 s GLU 9 Cb -0.20 -2.87 0.08 0.00 -4.31 0.00 0.00 34.13 26.83 2cr8 s GLU 9 CO -0.04 -0.47 0.71 0.34 0.01 0.00 0.00 175.26 175.81 2cr8 s ASP 10 N 1.20 6.20 0.62 -0.19 2.15 -1.26 -5.02 116.67 120.37 2cr8 s ASP 10 Ca -0.04 -1.14 -0.19 0.00 0.43 0.00 0.00 52.55 51.61 2cr8 s ASP 10 Cb -0.18 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2cr8 s ASP 10 CO -0.06 -1.06 1.32 -0.62 -0.17 0.00 0.00 175.17 174.57 2cr8 n GLU 11 N 6.45 1.31 -3.66 4.34 1.02 -1.26 -4.70 120.64 124.15 2cr8 n GLU 11 Ca -0.07 0.50 -0.36 0.00 -0.02 0.00 0.00 57.16 57.21 2cr8 n GLU 11 Cb 0.44 -2.55 -0.09 0.00 -0.02 0.00 0.00 31.44 29.22 2cr8 n GLU 11 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2cr8 s TRP 12 N -1.35 3.34 0.51 -0.32 1.48 -1.20 -4.87 118.94 116.53 2cr8 s TRP 12 Ca 0.79 0.27 -0.20 0.00 -1.06 0.00 0.00 56.10 55.90 2cr8 s TRP 12 Cb -0.39 -2.26 -0.07 0.00 -1.16 0.00 0.00 33.47 29.59 2cr8 s TRP 12 CO 0.43 0.11 1.12 -1.14 -4.06 0.00 0.00 176.95 173.40 2cr8 s GLN 13 N 0.93 3.55 0.39 3.25 0.74 -1.26 -2.20 119.66 125.06 2cr8 s GLN 13 Ca 0.08 1.59 0.03 0.00 0.05 0.00 0.00 55.36 57.12 2cr8 s GLN 13 Cb -0.13 -2.12 -0.01 0.00 1.10 0.00 0.00 33.01 31.85 2cr8 s GLN 13 CO 0.03 -0.69 0.57 0.00 -0.55 0.00 0.00 175.29 174.66 2cr8 n THR 15 N -1.86 0.99 0.10 0.00 5.66 -1.26 -3.52 114.28 114.40 2cr8 n THR 15 Ca 0.00 -0.48 -0.05 0.00 -3.05 0.00 0.00 64.05 60.47 2cr8 n THR 15 Cb 0.58 -0.92 -0.02 0.00 -1.55 0.00 0.00 70.33 68.42 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 -0.32 0.02 1.09 4.39 -1.97 -3.39 114.58 114.41 2cr8 h GLU 16 Ca -0.39 0.02 -0.31 0.00 0.34 0.00 0.00 59.36 59.03 2cr8 h GLU 16 Cb 1.72 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 30.40 2cr8 h GLU 16 CO -0.03 -0.21 -1.78 0.00 -1.16 0.00 0.00 179.01 175.83 2cr8 n LYS 18 N -3.12 -3.36 -3.92 0.00 4.76 -1.23 -5.00 118.16 106.29 2cr8 n LYS 18 Ca -0.20 0.42 -0.28 0.00 -2.87 0.00 0.00 58.31 55.38 2cr8 n LYS 18 Cb 1.05 -4.18 -0.16 0.00 -1.84 0.00 0.00 35.03 29.90 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 -4.77 1.59 -0.28 1.97 2.47 -1.26 -4.73 119.74 114.73 2cr8 s LYS 19 Ca 0.03 -0.50 -0.39 0.00 -1.56 0.00 0.00 55.97 53.55 2cr8 s LYS 19 Cb -0.01 -1.97 -0.18 0.00 -1.46 0.00 0.00 37.83 34.21 2cr8 s LYS 19 CO 0.36 -0.38 1.24 1.19 0.16 0.00 0.00 175.35 177.92 2cr8 n PHE 20 N 4.86 1.18 -4.21 4.03 3.72 -1.26 -4.22 117.46 121.56 2cr8 n PHE 20 Ca -0.13 0.99 -0.28 0.00 -0.05 0.00 0.00 57.45 57.98 2cr8 n PHE 20 Cb 0.48 -1.92 -0.04 0.00 -0.94 0.00 0.00 39.48 37.06 2cr8 n PHE 20 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2cr8 s ASN 21 N 1.66 4.43 0.28 4.37 -0.87 -0.93 -4.97 114.94 118.91 2cr8 s ASN 21 Ca 0.88 -1.34 -0.29 0.00 -1.57 0.00 0.00 52.86 50.54 2cr8 s ASN 21 Cb -1.25 0.26 -0.10 0.00 -0.02 0.00 0.00 41.25 40.14 2cr8 s ASN 21 CO 0.64 -0.91 1.23 -0.44 -2.57 0.00 0.00 177.10 175.06 2cr8 s SER 22 N -4.08 6.98 0.00 -1.22 0.01 -1.26 -3.27 113.70 110.87 2cr8 s SER 22 Ca 0.27 2.46 0.09 0.00 1.31 0.00 0.00 55.95 60.08 2cr8 s SER 22 Cb 0.00 -2.63 0.51 0.00 0.21 0.00 0.00 66.02 64.11 2cr8 s SER 22 CO 0.16 -0.39 0.96 -0.81 0.41 0.00 0.00 173.24 173.57 2cr8 n PRO 23 N 1.39 0.49 -0.03 12.44 -0.04 -1.26 -3.39 135.00 144.60 2cr8 n PRO 23 Ca 0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 2cr8 n PRO 23 Cb 0.43 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 2cr8 n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr8 n SER 24 N -0.77 1.35 -4.69 3.54 2.88 -1.26 -5.00 113.62 109.66 2cr8 n SER 24 Ca 0.06 0.21 -0.45 0.00 -1.33 0.00 0.00 58.87 57.37 2cr8 n SER 24 Cb 0.03 -0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 62.96 2cr8 n SER 24 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cr8 n LYS 25 N -3.85 2.37 0.06 -1.46 5.02 -1.22 -4.91 118.16 114.18 2cr8 n LYS 25 Ca -0.12 0.86 -0.22 0.00 -2.02 0.00 0.00 58.31 56.80 2cr8 n LYS 25 Cb 0.37 -2.65 -0.15 0.00 -0.02 0.00 0.00 35.03 32.58 2cr8 n LYS 25 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2cr8 h ARG 26 N 6.28 0.36 -5.43 1.97 2.43 -1.95 -3.45 114.38 114.60 2cr8 h ARG 26 Ca -0.44 -0.62 -0.61 0.00 -0.81 0.00 0.00 59.98 57.50 2cr8 h ARG 26 Cb 1.24 0.23 -0.12 0.00 -0.42 0.00 0.00 29.97 30.90 2cr8 h ARG 26 CO 0.91 1.30 0.01 0.71 -1.51 0.00 0.00 179.97 181.39 2cr8 s TYR 27 N -2.53 3.30 -0.35 2.20 1.51 -1.26 -3.86 117.35 116.36 2cr8 s TYR 27 Ca -0.16 0.71 -0.40 0.00 -1.01 0.00 0.00 57.07 56.21 2cr8 s TYR 27 Cb 0.04 -2.73 -0.15 0.00 -0.11 0.00 0.00 41.96 39.01 2cr8 s TYR 27 CO 0.84 -0.24 1.91 0.00 -1.11 0.00 0.00 175.55 176.95 2cr8 n PHE 29 N 6.80 0.35 0.00 0.00 7.35 -1.26 -1.53 117.46 129.16 2cr8 n PHE 29 Ca 0.35 -0.74 0.00 0.00 -0.76 0.00 0.00 57.45 56.30 2cr8 n PHE 29 Cb 0.12 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 39.58 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 0.45 0.00 -0.34 -4.13 0.00 -1.26 -4.88 116.66 106.51 2cr8 n ARG 30 Ca 0.07 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.99 2cr8 n ARG 30 Cb 0.61 -0.35 0.14 0.00 0.00 0.00 0.00 32.46 32.87 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 -1.11 -0.98 -4.82 0.00 7.02 -0.58 -4.90 117.44 112.06 2cr8 n TRP 32 Ca 0.15 0.33 -0.32 0.00 -1.02 0.00 0.00 57.50 56.63 2cr8 n TRP 32 Cb 0.69 -2.12 -0.17 0.00 -2.42 0.00 0.00 31.31 27.29 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 -4.00 2.24 0.18 6.99 0.00 -1.24 -4.89 121.76 121.03 2cr8 s ALA 33 Ca 0.12 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 2cr8 s ALA 33 Cb -0.07 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 2cr8 s ALA 33 CO 0.76 0.06 0.92 -1.17 0.00 0.00 0.00 175.76 176.32 2cr8 s LEU 34 N 0.68 4.59 -0.49 0.00 2.96 -1.26 -1.53 118.68 123.62 2cr8 s LEU 34 Ca -0.10 1.84 -0.27 0.00 -0.22 0.00 0.00 54.13 55.37 2cr8 s LEU 34 Cb -0.16 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 2cr8 s LEU 34 CO 0.01 0.09 2.40 0.54 -1.32 0.00 0.00 176.35 178.07 2cr8 n ARG 35 N 1.97 1.09 -4.47 1.98 1.74 -1.25 -4.92 116.66 112.79 2cr8 n ARG 35 Ca -0.01 0.10 -0.26 0.00 -0.77 0.00 0.00 57.85 56.91 2cr8 n ARG 35 Cb 0.48 -3.17 -0.10 0.00 -1.02 0.00 0.00 32.46 28.66 2cr8 n ARG 35 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2cr8 s LYS 36 N 7.92 1.95 -0.16 5.56 0.00 -1.26 -5.15 119.74 128.61 2cr8 s LYS 36 Ca 1.03 -1.92 -0.10 0.00 0.00 0.00 0.00 55.97 54.98 2cr8 s LYS 36 Cb -0.35 -1.77 0.05 0.00 0.00 0.00 0.00 37.83 35.76 2cr8 s LYS 36 CO 0.31 0.07 0.39 -0.51 0.00 0.00 0.00 175.35 175.61 2cr8 s ASP 37 N -3.69 -0.47 -0.72 0.03 1.01 -1.26 -4.91 116.67 106.67 2cr8 s ASP 37 Ca 0.34 0.83 -0.05 0.00 0.71 0.00 0.00 52.55 54.39 2cr8 s ASP 37 Cb 0.04 0.75 0.01 0.00 1.01 0.00 0.00 42.92 44.72 2cr8 s ASP 37 CO 0.18 -0.18 0.63 1.87 0.21 0.00 0.00 175.17 177.89 2cr8 n TRP 38 N 3.89 -1.53 -2.26 4.23 -0.00 -1.26 -4.99 117.44 115.52 2cr8 n TRP 38 Ca -0.21 0.54 -0.37 0.00 -0.00 0.00 0.00 57.50 57.46 2cr8 n TRP 38 Cb 0.56 -3.15 -0.01 0.00 -0.00 0.00 0.00 31.31 28.70 2cr8 n TRP 38 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 177.69 179.21 2cr8 s TYR 39 N -3.17 2.90 -0.20 5.87 1.13 -1.26 -5.04 117.35 117.59 2cr8 s TYR 39 Ca 0.31 1.54 -0.03 0.00 -1.41 0.00 0.00 57.07 57.48 2cr8 s TYR 39 Cb -0.14 -3.39 0.06 0.00 -1.10 0.00 0.00 41.96 37.40 2cr8 s TYR 39 CO 0.39 -1.49 0.03 -1.12 -2.51 0.00 0.00 175.55 170.85 2cr8 s SER 40 N -1.32 2.95 -0.12 -0.18 0.01 -1.26 -5.00 113.70 108.78 2cr8 s SER 40 Ca 0.63 -0.84 -0.14 0.00 1.31 0.00 0.00 55.95 56.90 2cr8 s SER 40 Cb -0.29 -0.62 -0.26 0.00 0.21 0.00 0.00 66.02 65.07 2cr8 s SER 40 CO 0.35 -0.30 0.45 0.44 0.41 0.00 0.00 173.24 174.59 2cr8 h ASP 41 N 8.23 0.33 -2.11 2.44 5.19 -2.06 -3.42 116.42 125.02 2cr8 h ASP 41 Ca -0.16 -0.82 -0.66 0.00 -0.62 0.00 0.00 57.03 54.76 2cr8 h ASP 41 Cb 1.12 -0.11 -0.16 0.00 0.18 0.00 0.00 39.33 40.37 2cr8 h ASP 41 CO 0.34 1.66 0.98 0.00 -3.12 0.00 0.00 179.24 179.10 2cr8 s SER 43 N 3.96 5.53 0.38 0.00 1.04 -1.26 -4.96 113.70 118.38 2cr8 s SER 43 Ca 0.35 0.38 0.08 0.00 0.48 0.00 0.00 55.95 57.24 2cr8 s SER 43 Cb -0.04 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.47 2cr8 s SER 43 CO -0.08 -2.17 -0.02 -1.59 0.98 0.00 0.00 173.24 170.36 2cr8 s LYS 44 N 6.57 1.94 -0.20 4.02 -2.85 -1.26 -5.12 119.74 122.84 2cr8 s LYS 44 Ca 0.64 -1.98 -0.19 0.00 -1.00 0.00 0.00 55.97 53.44 2cr8 s LYS 44 Cb -0.13 -1.73 -0.03 0.00 -2.06 0.00 0.00 37.83 33.88 2cr8 s LYS 44 CO 0.22 0.04 0.54 -0.51 0.10 0.00 0.00 175.35 175.75 2cr8 s LEU 45 N -3.68 4.15 -0.08 2.77 1.02 -1.26 -5.06 118.68 116.54 2cr8 s LEU 45 Ca 0.34 0.71 -0.10 0.00 0.02 0.00 0.00 54.13 55.10 2cr8 s LEU 45 Cb 0.05 -2.74 -0.05 0.00 0.02 0.00 0.00 46.19 43.47 2cr8 s LEU 45 CO 0.18 -0.19 0.24 0.28 0.02 0.00 0.00 176.35 176.88 2cr8 s THR 46 N 1.65 5.33 0.07 5.49 -1.32 -1.26 -5.10 115.64 120.50 2cr8 s THR 46 Ca 0.25 0.45 0.05 0.00 -1.21 0.00 0.00 61.69 61.23 2cr8 s THR 46 Cb -0.15 -3.52 -0.04 0.00 -1.51 0.00 0.00 72.50 67.28 2cr8 s THR 46 CO 0.10 0.60 -0.03 -1.38 -2.21 0.00 0.00 174.62 171.70 2cr8 s HIS 47 N -1.02 2.94 -0.43 9.09 -3.43 -1.26 -5.09 115.29 116.09 2cr8 s HIS 47 Ca 0.18 -0.04 -0.10 0.00 -0.80 0.00 0.00 55.06 54.31 2cr8 s HIS 47 Cb -0.14 -1.55 0.08 0.00 -1.43 0.00 0.00 32.58 29.55 2cr8 s HIS 47 CO 0.07 0.45 0.28 -1.12 -2.00 0.00 0.00 174.74 172.43 2cr8 s SER 48 N -2.08 5.70 0.00 7.38 0.01 -1.26 -4.90 113.70 118.55 2cr8 s SER 48 Ca 0.23 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.97 2cr8 s SER 48 Cb -0.11 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.10 2cr8 s SER 48 CO 0.15 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2cr8 n GLY 49 N 4.95 0.10 3.64 3.44 0.00 -1.26 -5.11 105.19 110.95 2cr8 n GLY 49 Ca -0.10 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 2cr8 n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr8 s PRO 50 N 2.03 3.98 0.07 1.61 0.04 -1.26 -5.01 135.00 136.46 2cr8 s PRO 50 Ca 0.00 1.82 0.01 0.00 0.04 0.00 0.00 61.00 62.87 2cr8 s PRO 50 Cb 0.00 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 2cr8 s PRO 50 CO 0.00 -1.06 0.17 0.45 0.04 0.00 0.00 177.00 176.59 2cr8 s SER 51 N 3.59 6.06 0.21 6.66 0.15 -1.26 -5.12 113.70 123.99 2cr8 s SER 51 Ca 0.69 0.16 0.03 0.00 0.70 0.00 0.00 55.95 57.54 2cr8 s SER 51 Cb -0.27 -1.79 -0.05 0.00 -1.71 0.00 0.00 66.02 62.20 2cr8 s SER 51 CO 0.27 0.16 -0.00 -0.44 1.20 0.00 0.00 173.24 174.43 2cr8 s SER 52 N -2.51 1.59 0.00 5.45 0.01 -1.26 -5.31 113.70 111.66 2cr8 s SER 52 Ca 0.33 -1.20 0.18 0.00 1.31 0.00 0.00 55.95 56.57 2cr8 s SER 52 Cb -0.13 0.05 0.14 0.00 0.21 0.00 0.00 66.02 66.30 2cr8 s SER 52 CO 0.26 -0.53 1.06 0.61 0.41 0.00 0.00 173.24 175.05