#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 3.64 0.17 1.61 0.01 -1.26 -5.02 113.70 112.85 2cr8 s SER 2 Ca 0.00 -1.31 -0.22 0.00 1.31 0.00 0.00 55.95 55.73 2cr8 s SER 2 Cb 0.00 -0.81 0.09 0.00 0.21 0.00 0.00 66.02 65.51 2cr8 s SER 2 CO 0.00 -0.36 1.59 0.28 0.41 0.00 0.00 173.24 175.17 2cr8 h SER 3 N 8.13 -1.10 -4.23 2.44 0.02 -2.14 -3.41 113.55 113.26 2cr8 h SER 3 Ca -0.15 0.21 -0.52 0.00 -0.84 0.00 0.00 61.79 60.49 2cr8 h SER 3 Cb 1.06 0.53 0.14 0.00 0.14 0.00 0.00 62.40 64.27 2cr8 h SER 3 CO 0.42 -0.31 0.34 -0.83 -1.14 0.00 0.00 176.83 175.31 2cr8 s GLY 4 N -3.01 2.04 -0.32 -3.77 0.00 -1.26 -5.00 107.32 96.00 2cr8 s GLY 4 Ca -0.15 0.61 -0.11 0.00 0.00 0.00 0.00 44.72 45.08 2cr8 s GLY 4 CO 0.69 0.99 0.18 -0.56 0.00 0.00 0.00 173.10 174.40 2cr8 s SER 5 N -2.57 5.73 0.25 1.64 0.01 -1.26 -5.06 113.70 112.44 2cr8 s SER 5 Ca 0.68 -0.45 -0.15 0.00 1.31 0.00 0.00 55.95 57.34 2cr8 s SER 5 Cb -0.23 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2cr8 s SER 5 CO 0.49 -0.19 0.54 -0.94 0.41 0.00 0.00 173.24 173.55 2cr8 s SER 6 N 1.66 -0.15 0.00 2.44 1.04 -1.26 -5.12 113.70 112.31 2cr8 s SER 6 Ca 0.05 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2cr8 s SER 6 Cb -0.17 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2cr8 s SER 6 CO 0.08 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.72 2cr8 n GLY 7 N -0.40 -1.17 2.81 7.32 0.00 -1.26 -5.16 105.19 107.34 2cr8 n GLY 7 Ca -0.03 0.53 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 2cr8 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr8 s SER 8 N 0.00 1.97 -1.06 1.61 0.15 -1.26 -5.08 113.70 110.03 2cr8 s SER 8 Ca 0.00 -0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.24 2cr8 s SER 8 Cb 0.00 -0.60 0.16 0.00 -1.71 0.00 0.00 66.02 63.87 2cr8 s SER 8 CO 0.00 -0.18 1.25 -0.70 1.20 0.00 0.00 173.24 174.81 2cr8 s GLU 9 N 1.86 3.85 -0.98 5.44 2.12 -1.26 -4.95 118.70 124.78 2cr8 s GLU 9 Ca 0.04 -2.24 -0.15 0.00 0.36 0.00 0.00 54.97 52.98 2cr8 s GLU 9 Cb -0.13 -4.94 0.19 0.00 0.26 0.00 0.00 34.13 29.50 2cr8 s GLU 9 CO -0.07 -1.72 1.08 0.16 -0.54 0.00 0.00 175.26 174.17 2cr8 s ASP 10 N 3.08 6.86 0.56 -1.70 1.47 -1.26 -5.03 116.67 120.65 2cr8 s ASP 10 Ca 0.36 -2.66 -0.19 0.00 1.18 0.00 0.00 52.55 51.25 2cr8 s ASP 10 Cb -0.04 -2.32 -0.05 0.00 -0.34 0.00 0.00 42.92 40.17 2cr8 s ASP 10 CO -0.05 -0.74 1.13 -1.61 0.68 0.00 0.00 175.17 174.58 2cr8 s GLU 11 N 1.13 3.27 -0.11 2.11 2.02 -1.26 -4.70 118.70 121.15 2cr8 s GLU 11 Ca 0.30 1.58 -0.24 0.00 0.02 0.00 0.00 54.97 56.62 2cr8 s GLU 11 Cb -0.07 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 2cr8 s GLU 11 CO -0.07 -0.91 0.77 1.67 0.02 0.00 0.00 175.26 176.74 2cr8 s TRP 12 N -1.86 3.50 0.58 1.61 1.48 -1.06 -4.80 118.94 118.39 2cr8 s TRP 12 Ca 0.72 1.26 -0.18 0.00 -1.06 0.00 0.00 56.10 56.84 2cr8 s TRP 12 Cb -0.23 -2.91 -0.04 0.00 -1.16 0.00 0.00 33.47 29.12 2cr8 s TRP 12 CO 0.29 -0.08 1.12 -1.14 -4.06 0.00 0.00 176.95 173.08 2cr8 s GLN 13 N 1.46 3.21 -0.23 3.25 0.74 -1.26 -2.90 119.66 123.93 2cr8 s GLN 13 Ca 0.38 1.52 -0.08 0.00 0.05 0.00 0.00 55.36 57.23 2cr8 s GLN 13 Cb -0.17 -1.99 -0.04 0.00 1.10 0.00 0.00 33.01 31.91 2cr8 s GLN 13 CO 0.16 -0.95 0.08 0.00 -0.55 0.00 0.00 175.29 174.04 2cr8 n THR 15 N 4.40 1.59 0.00 0.00 5.66 -1.26 -1.01 114.28 123.66 2cr8 n THR 15 Ca -0.16 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 2cr8 n THR 15 Cb 0.52 -0.91 0.00 0.00 -1.55 0.00 0.00 70.33 68.38 2cr8 n THR 15 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2cr8 n GLU 16 N 0.16 0.00 -0.00 1.09 -0.58 -1.26 -4.91 120.64 115.15 2cr8 n GLU 16 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 2cr8 n GLU 16 Cb 0.76 -0.35 -0.00 0.00 -0.57 0.00 0.00 31.44 31.28 2cr8 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cr8 n LYS 18 N -1.23 -4.87 -4.66 0.00 4.76 -0.18 -5.01 118.16 106.97 2cr8 n LYS 18 Ca 0.00 0.62 -0.28 0.00 -2.87 0.00 0.00 58.31 55.78 2cr8 n LYS 18 Cb 0.01 -4.96 -0.17 0.00 -1.84 0.00 0.00 35.03 28.07 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 -5.02 2.25 0.20 1.97 2.36 -1.26 -4.83 119.74 115.41 2cr8 s LYS 19 Ca 0.01 -0.59 -0.32 0.00 -2.55 0.00 0.00 55.97 52.52 2cr8 s LYS 19 Cb -0.00 -1.84 -0.12 0.00 -1.05 0.00 0.00 37.83 34.82 2cr8 s LYS 19 CO 0.53 0.02 1.72 -0.06 1.55 0.00 0.00 175.35 179.11 2cr8 s PHE 20 N 0.75 2.85 -0.01 4.03 0.08 -1.26 -3.75 117.98 120.67 2cr8 s PHE 20 Ca -0.12 0.34 0.06 0.00 0.12 0.00 0.00 56.93 57.33 2cr8 s PHE 20 Cb -0.16 -4.12 -0.02 0.00 -0.57 0.00 0.00 43.02 38.15 2cr8 s PHE 20 CO 0.02 -4.28 -0.20 -0.80 -0.10 0.00 0.00 175.22 169.86 2cr8 s ASN 21 N 1.32 2.33 0.24 1.36 0.01 -1.14 -4.99 114.94 114.07 2cr8 s ASN 21 Ca 0.75 -0.38 -0.27 0.00 -0.71 0.00 0.00 52.86 52.25 2cr8 s ASN 21 Cb -0.49 -0.25 -0.16 0.00 0.41 0.00 0.00 41.25 40.76 2cr8 s ASN 21 CO 0.32 0.23 0.50 -1.20 -1.51 0.00 0.00 177.10 175.44 2cr8 n SER 22 N 2.51 -1.26 0.00 -1.22 7.64 -1.26 -2.56 113.62 117.46 2cr8 n SER 22 Ca -0.15 1.08 0.07 0.00 1.01 0.00 0.00 58.87 60.88 2cr8 n SER 22 Cb 0.53 -0.97 0.32 0.00 -1.01 0.00 0.00 64.21 63.08 2cr8 n SER 22 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2cr8 n PRO 23 N 1.01 0.05 -0.08 1.43 -0.04 -1.26 -3.10 135.00 133.00 2cr8 n PRO 23 Ca 0.16 0.23 -0.19 0.00 -0.04 0.00 0.00 63.50 63.66 2cr8 n PRO 23 Cb 0.28 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 2cr8 n PRO 23 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2cr8 h SER 24 N 0.00 0.03 -4.21 3.54 0.02 -1.97 -3.47 113.55 107.48 2cr8 h SER 24 Ca 0.00 -0.69 -0.52 0.00 -0.84 0.00 0.00 61.79 59.74 2cr8 h SER 24 Cb 0.22 -0.01 0.14 0.00 0.14 0.00 0.00 62.40 62.89 2cr8 h SER 24 CO 0.00 1.35 0.36 -0.54 -1.14 0.00 0.00 176.83 176.85 2cr8 s LYS 25 N -2.33 2.24 -0.18 3.45 -0.14 -1.18 -4.99 119.74 116.61 2cr8 s LYS 25 Ca -0.25 1.53 -0.05 0.00 -1.36 0.00 0.00 55.97 55.84 2cr8 s LYS 25 Cb 0.03 -1.87 -0.09 0.00 -1.68 0.00 0.00 37.83 34.22 2cr8 s LYS 25 CO 0.64 -1.71 -0.20 -2.13 -0.76 0.00 0.00 175.35 171.18 2cr8 n ARG 26 N -2.91 0.41 -3.39 1.68 0.63 -1.26 -4.88 116.66 106.94 2cr8 n ARG 26 Ca 0.12 0.14 -0.38 0.00 -0.92 0.00 0.00 57.85 56.81 2cr8 n ARG 26 Cb 0.51 -1.24 -0.06 0.00 0.45 0.00 0.00 32.46 32.12 2cr8 n ARG 26 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 2cr8 s TYR 27 N -2.34 3.75 0.02 -0.14 1.13 -1.26 -3.97 117.35 114.53 2cr8 s TYR 27 Ca -0.25 1.11 -0.30 0.00 -1.41 0.00 0.00 57.07 56.22 2cr8 s TYR 27 Cb 0.08 -2.40 -0.08 0.00 -1.10 0.00 0.00 41.96 38.46 2cr8 s TYR 27 CO 0.36 0.59 1.92 0.00 -2.51 0.00 0.00 175.55 175.91 2cr8 n PHE 29 N 7.50 0.37 0.00 0.00 1.16 -1.26 -1.30 117.46 123.94 2cr8 n PHE 29 Ca 0.20 -0.60 0.00 0.00 -1.87 0.00 0.00 57.45 55.17 2cr8 n PHE 29 Cb 0.41 -0.32 0.00 0.00 -1.61 0.00 0.00 39.48 37.97 2cr8 n PHE 29 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 2cr8 n ARG 30 N 0.27 0.21 -1.13 3.97 0.00 -1.26 -4.89 116.66 113.83 2cr8 n ARG 30 Ca 0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.97 2cr8 n ARG 30 Cb 0.62 -0.64 0.08 0.00 0.00 0.00 0.00 32.46 32.51 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 -0.07 -0.77 -3.59 0.00 7.02 -0.42 -4.85 117.44 114.77 2cr8 n TRP 32 Ca 0.10 0.19 -0.40 0.00 -1.02 0.00 0.00 57.50 56.37 2cr8 n TRP 32 Cb 0.97 -1.63 -0.08 0.00 -2.42 0.00 0.00 31.31 28.15 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 -3.98 3.50 1.12 6.99 0.00 -1.24 -4.84 121.76 123.31 2cr8 s ALA 33 Ca 0.15 -2.80 -0.16 0.00 0.00 0.00 0.00 51.96 49.15 2cr8 s ALA 33 Cb -0.08 -2.83 0.22 0.00 0.00 0.00 0.00 23.12 20.43 2cr8 s ALA 33 CO 0.58 -1.99 0.46 1.28 0.00 0.00 0.00 175.76 176.10 2cr8 n LEU 34 N 4.43 -1.14 -4.73 0.00 4.77 -1.26 -2.40 117.00 116.67 2cr8 n LEU 34 Ca -0.01 -0.49 -0.40 0.00 -0.03 0.00 0.00 56.01 55.09 2cr8 n LEU 34 Cb 0.41 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 2cr8 n LEU 34 CO 0.39 -3.56 0.39 -0.13 -1.33 0.00 0.00 177.39 173.15 2cr8 s ARG 35 N -3.84 4.43 -0.11 3.23 0.52 -1.25 -4.79 118.95 117.13 2cr8 s ARG 35 Ca 0.44 0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 56.52 2cr8 s ARG 35 Cb -0.08 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 2cr8 s ARG 35 CO 0.40 0.16 -0.02 -0.22 0.02 0.00 0.00 175.30 175.63 2cr8 h LYS 36 N 6.37 0.00 -4.79 3.54 1.63 -1.95 -3.43 116.57 117.94 2cr8 h LYS 36 Ca -0.42 0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 58.68 2cr8 h LYS 36 Cb 1.20 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.64 2cr8 h LYS 36 CO 0.74 0.02 0.00 0.16 -3.45 0.00 0.00 179.45 176.92 2cr8 s ASP 37 N -5.59 6.20 0.01 4.20 1.47 -1.26 -4.94 116.67 116.76 2cr8 s ASP 37 Ca -0.03 -1.10 -0.25 0.00 1.18 0.00 0.00 52.55 52.35 2cr8 s ASP 37 Cb 0.00 -2.28 -0.16 0.00 -0.34 0.00 0.00 42.92 40.15 2cr8 s ASP 37 CO 0.05 -0.91 1.18 4.11 0.68 0.00 0.00 175.17 180.28 2cr8 h TRP 38 N 9.00 -0.46 -1.64 2.11 0.09 -2.03 -3.44 115.95 119.58 2cr8 h TRP 38 Ca -0.28 -0.01 -0.48 0.00 0.09 0.00 0.00 58.89 58.21 2cr8 h TRP 38 Cb 1.10 0.15 0.25 0.00 0.08 0.00 0.00 29.16 30.74 2cr8 h TRP 38 CO 0.75 -0.13 -1.99 2.48 0.09 0.00 0.00 178.44 179.64 2cr8 n TYR 39 N -5.17 -1.59 -4.42 0.12 4.11 -1.26 -2.59 117.16 106.37 2cr8 n TYR 39 Ca -0.10 0.41 -0.39 0.00 -0.00 0.00 0.00 57.90 57.83 2cr8 n TYR 39 Cb 0.28 -1.47 -0.07 0.00 -0.00 0.00 0.00 39.34 38.08 2cr8 n TYR 39 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 2cr8 n SER 40 N 1.38 -1.61 0.04 9.48 7.64 -1.26 -4.83 113.62 124.47 2cr8 n SER 40 Ca -0.01 -1.20 -0.13 0.00 1.01 0.00 0.00 58.87 58.55 2cr8 n SER 40 Cb 0.69 -1.89 -0.09 0.00 -1.01 0.00 0.00 64.21 61.92 2cr8 n SER 40 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2cr8 h ASP 41 N -1.19 -0.08 -2.76 6.43 2.03 -1.79 -3.38 116.42 115.68 2cr8 h ASP 41 Ca -0.61 -0.27 -0.60 0.00 -0.73 0.00 0.00 57.03 54.82 2cr8 h ASP 41 Cb 1.39 0.02 -0.40 0.00 -0.83 0.00 0.00 39.33 39.51 2cr8 h ASP 41 CO 0.83 0.23 -0.78 0.00 -1.03 0.00 0.00 179.24 178.49 2cr8 s SER 43 N -0.60 -0.25 -0.27 0.00 0.15 -1.26 -5.14 113.70 106.33 2cr8 s SER 43 Ca 0.28 0.43 -0.18 0.00 0.70 0.00 0.00 55.95 57.19 2cr8 s SER 43 Cb -0.02 0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 65.14 2cr8 s SER 43 CO -0.17 -0.07 0.51 -0.54 1.20 0.00 0.00 173.24 174.17 2cr8 s LYS 44 N 0.81 4.04 -0.15 5.44 -0.14 -1.26 -4.93 119.74 123.55 2cr8 s LYS 44 Ca -0.04 0.29 -0.11 0.00 -1.36 0.00 0.00 55.97 54.75 2cr8 s LYS 44 Cb -0.04 -3.66 -0.06 0.00 -1.68 0.00 0.00 37.83 32.39 2cr8 s LYS 44 CO -0.12 -0.37 -0.25 -0.11 -0.76 0.00 0.00 175.35 173.74 2cr8 n LEU 45 N 5.55 1.55 -4.36 3.17 7.94 -1.26 -4.90 117.00 124.69 2cr8 n LEU 45 Ca -0.04 0.26 -0.45 0.00 -1.11 0.00 0.00 56.01 54.67 2cr8 n LEU 45 Cb 0.50 -0.60 -0.06 0.00 0.53 0.00 0.00 43.42 43.78 2cr8 n LEU 45 CO 0.41 -0.02 0.12 -0.89 -1.11 0.00 0.00 177.39 175.90 2cr8 s THR 46 N -2.51 5.17 -0.15 1.96 2.01 -1.26 -5.01 115.64 115.85 2cr8 s THR 46 Ca -0.24 -1.18 -0.04 0.00 0.31 0.00 0.00 61.69 60.54 2cr8 s THR 46 Cb 0.07 -4.24 0.07 0.00 0.01 0.00 0.00 72.50 68.40 2cr8 s THR 46 CO 0.32 -0.74 0.19 -2.28 -0.69 0.00 0.00 174.62 171.42 2cr8 s HIS 47 N 1.77 -0.20 -0.47 4.92 2.46 -1.26 -5.10 115.29 117.40 2cr8 s HIS 47 Ca 0.05 0.37 -0.45 0.00 0.47 0.00 0.00 55.06 55.49 2cr8 s HIS 47 Cb -0.26 -0.34 -0.19 0.00 -0.13 0.00 0.00 32.58 31.66 2cr8 s HIS 47 CO 0.06 -0.45 1.79 -1.13 -2.47 0.00 0.00 174.74 172.54 2cr8 n SER 48 N 5.32 1.24 -0.61 9.88 3.41 -1.26 -4.90 113.62 126.70 2cr8 n SER 48 Ca -0.05 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2cr8 n SER 48 Cb 0.50 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 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 5.10 5.11 3.77 5.00 0.00 -1.26 -5.14 105.19 117.77 2cr8 n GLY 49 Ca 0.38 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.40 4.03 0.16 1.61 0.04 -1.26 -5.05 135.00 134.13 2cr8 s PRO 50 Ca 0.00 1.88 0.05 0.00 0.04 0.00 0.00 61.00 62.97 2cr8 s PRO 50 Cb 0.00 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 2cr8 s PRO 50 CO 0.00 -0.35 0.12 -1.54 0.04 0.00 0.00 177.00 175.27 2cr8 s SER 51 N -1.09 5.45 -0.29 6.66 1.04 -1.26 -5.09 113.70 119.11 2cr8 s SER 51 Ca 0.57 -0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.69 2cr8 s SER 51 Cb -0.32 -1.40 -0.03 0.00 0.10 0.00 0.00 66.02 64.38 2cr8 s SER 51 CO 0.40 0.07 0.42 -0.44 0.98 0.00 0.00 173.24 174.67 2cr8 s SER 52 N -3.06 6.28 0.00 7.02 0.01 -1.26 -5.36 113.70 117.33 2cr8 s SER 52 Ca 0.31 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2cr8 s SER 52 Cb -0.10 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2cr8 s SER 52 CO 0.23 -0.27 0.29 0.61 0.41 0.00 0.00 173.24 174.50