#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 -0.51 0.13 1.61 1.04 -1.26 -5.16 113.70 109.55 2cr8 s SER 2 Ca 0.00 0.40 -0.21 0.00 0.48 0.00 0.00 55.95 56.62 2cr8 s SER 2 Cb 0.00 0.45 -0.07 0.00 0.10 0.00 0.00 66.02 66.49 2cr8 s SER 2 CO 0.00 -0.58 0.66 -0.94 0.98 0.00 0.00 173.24 173.36 2cr8 s SER 3 N -1.59 7.16 0.00 7.02 1.04 -1.26 -5.02 113.70 121.05 2cr8 s SER 3 Ca -0.04 1.40 0.00 0.00 0.48 0.00 0.00 55.95 57.79 2cr8 s SER 3 Cb -0.00 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2cr8 s SER 3 CO 0.01 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.06 2cr8 n GLY 4 N 1.51 -1.28 3.92 7.32 0.00 -1.26 -5.16 105.19 110.24 2cr8 n GLY 4 Ca -0.08 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.78 2cr8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr8 s SER 5 N -3.88 5.41 0.12 1.61 0.01 -1.26 -5.08 113.70 110.63 2cr8 s SER 5 Ca 0.00 0.59 -0.10 0.00 1.31 0.00 0.00 55.95 57.75 2cr8 s SER 5 Cb 0.00 -1.51 -0.06 0.00 0.21 0.00 0.00 66.02 64.65 2cr8 s SER 5 CO 0.00 -1.17 0.44 -0.55 0.41 0.00 0.00 173.24 172.37 2cr8 s SER 6 N -4.35 6.65 0.00 2.44 0.15 -1.26 -5.07 113.70 112.26 2cr8 s SER 6 Ca 0.55 0.83 0.00 0.00 0.70 0.00 0.00 55.95 58.04 2cr8 s SER 6 Cb -0.11 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2cr8 s SER 6 CO 0.44 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.60 2cr8 n GLY 7 N 0.64 3.87 3.31 9.45 0.00 -1.26 -5.10 105.19 116.11 2cr8 n GLY 7 Ca -0.06 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2cr8 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr8 s SER 8 N 1.00 5.80 -0.22 1.61 0.01 -1.26 -4.92 113.70 115.72 2cr8 s SER 8 Ca 0.00 -1.44 -0.18 0.00 1.31 0.00 0.00 55.95 55.64 2cr8 s SER 8 Cb 0.00 -2.05 -0.15 0.00 0.21 0.00 0.00 66.02 64.03 2cr8 s SER 8 CO 0.00 -0.57 -0.03 1.21 0.41 0.00 0.00 173.24 174.26 2cr8 n GLU 9 N 5.01 0.56 -3.20 12.44 0.00 -1.26 -4.97 120.64 129.22 2cr8 n GLU 9 Ca -0.11 0.46 -0.28 0.00 0.00 0.00 0.00 57.16 57.23 2cr8 n GLU 9 Cb 0.43 -1.65 -0.02 0.00 0.00 0.00 0.00 31.44 30.20 2cr8 n GLU 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2cr8 s ASP 10 N -6.87 6.40 1.00 4.31 2.15 -1.26 -5.04 116.67 117.37 2cr8 s ASP 10 Ca -0.30 0.74 -0.12 0.00 0.43 0.00 0.00 52.55 53.31 2cr8 s ASP 10 Cb 0.08 -2.16 0.19 0.00 -0.30 0.00 0.00 42.92 40.73 2cr8 s ASP 10 CO 0.51 -0.29 1.08 -1.61 -0.17 0.00 0.00 175.17 174.70 2cr8 s GLU 11 N -3.87 0.36 -0.00 4.34 8.01 -1.26 -4.81 118.70 121.47 2cr8 s GLU 11 Ca 0.45 1.03 -0.15 0.00 0.01 0.00 0.00 54.97 56.30 2cr8 s GLU 11 Cb -0.10 -1.69 -0.06 0.00 -4.31 0.00 0.00 34.13 27.97 2cr8 s GLU 11 CO 0.33 -2.91 0.43 1.67 0.01 0.00 0.00 175.26 174.78 2cr8 s TRP 12 N -2.68 3.72 0.49 1.61 1.48 -0.91 -4.82 118.94 117.83 2cr8 s TRP 12 Ca 0.66 1.01 -0.18 0.00 -1.06 0.00 0.00 56.10 56.53 2cr8 s TRP 12 Cb -0.22 -2.33 -0.09 0.00 -1.16 0.00 0.00 33.47 29.68 2cr8 s TRP 12 CO 0.60 0.60 0.98 -1.14 -4.06 0.00 0.00 176.95 173.94 2cr8 s GLN 13 N -0.94 3.99 0.56 3.25 0.74 -1.26 -1.71 119.66 124.28 2cr8 s GLN 13 Ca 0.24 1.07 0.03 0.00 0.05 0.00 0.00 55.36 56.75 2cr8 s GLN 13 Cb -0.17 -2.14 0.05 0.00 1.10 0.00 0.00 33.01 31.85 2cr8 s GLN 13 CO 0.14 -0.24 0.78 0.00 -0.55 0.00 0.00 175.29 175.41 2cr8 n THR 15 N -2.33 0.00 -0.12 0.00 -2.24 -1.26 -3.89 114.28 104.44 2cr8 n THR 15 Ca 0.10 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 2cr8 n THR 15 Cb 0.60 0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 2cr8 n THR 15 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cr8 n GLU 16 N -1.34 0.64 -0.02 -0.78 1.02 -1.26 -4.60 120.64 114.30 2cr8 n GLU 16 Ca -0.00 0.22 0.01 0.00 -0.02 0.00 0.00 57.16 57.37 2cr8 n GLU 16 Cb 0.01 -1.54 0.02 0.00 -0.02 0.00 0.00 31.44 29.91 2cr8 n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cr8 n LYS 18 N -0.24 -1.91 -4.22 0.00 4.76 -1.25 -4.89 118.16 110.41 2cr8 n LYS 18 Ca 0.02 0.15 -0.34 0.00 -2.87 0.00 0.00 58.31 55.27 2cr8 n LYS 18 Cb 0.23 -4.74 -0.11 0.00 -1.84 0.00 0.00 35.03 28.57 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 -6.36 3.80 0.47 1.97 2.47 -1.26 -4.57 119.74 116.26 2cr8 s LYS 19 Ca 0.51 -0.44 -0.23 0.00 -1.56 0.00 0.00 55.97 54.25 2cr8 s LYS 19 Cb -0.29 -3.05 -0.07 0.00 -1.46 0.00 0.00 37.83 32.95 2cr8 s LYS 19 CO 0.63 0.25 1.24 -0.06 0.16 0.00 0.00 175.35 177.56 2cr8 s PHE 20 N 0.39 2.74 -0.03 4.03 0.40 -1.26 -3.07 117.98 121.17 2cr8 s PHE 20 Ca -0.01 1.48 -0.05 0.00 -0.60 0.00 0.00 56.93 57.74 2cr8 s PHE 20 Cb -0.13 -3.53 0.01 0.00 0.51 0.00 0.00 43.02 39.87 2cr8 s PHE 20 CO 0.02 -1.93 0.14 -0.80 0.70 0.00 0.00 175.22 173.34 2cr8 s ASN 21 N -1.14 -0.08 0.23 1.36 0.01 -0.70 -4.95 114.94 109.67 2cr8 s ASN 21 Ca 0.64 0.11 -0.28 0.00 -0.71 0.00 0.00 52.86 52.62 2cr8 s ASN 21 Cb -0.33 0.26 -0.16 0.00 0.41 0.00 0.00 41.25 41.43 2cr8 s ASN 21 CO 0.40 -0.15 0.64 -1.20 -1.51 0.00 0.00 177.10 175.28 2cr8 n SER 22 N 2.49 -0.63 0.21 -1.22 7.64 -1.26 -2.14 113.62 118.71 2cr8 n SER 22 Ca -0.16 1.13 0.15 0.00 1.01 0.00 0.00 58.87 61.00 2cr8 n SER 22 Cb 0.58 -1.04 0.61 0.00 -1.01 0.00 0.00 64.21 63.35 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 1.23 0.00 -0.22 1.43 0.13 -1.93 -3.07 132.00 129.57 2cr8 h PRO 23 Ca -0.31 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.73 2cr8 h PRO 23 Cb 1.41 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.54 2cr8 h PRO 23 CO 0.58 0.00 -0.20 1.03 -0.23 0.00 0.00 178.00 179.17 2cr8 h SER 24 N 0.00 0.56 -4.33 1.44 0.87 -1.99 -3.45 113.55 106.65 2cr8 h SER 24 Ca 0.00 -0.47 -0.50 0.00 -1.23 0.00 0.00 61.79 59.59 2cr8 h SER 24 Cb 0.42 -0.16 0.06 0.00 -0.44 0.00 0.00 62.40 62.28 2cr8 h SER 24 CO 0.00 0.91 0.41 -0.54 -0.53 0.00 0.00 176.83 177.08 2cr8 s LYS 25 N -4.37 3.58 -0.17 2.24 -0.14 -1.16 -5.02 119.74 114.70 2cr8 s LYS 25 Ca -0.13 0.81 -0.03 0.00 -1.36 0.00 0.00 55.97 55.26 2cr8 s LYS 25 Cb 0.07 -2.08 -0.10 0.00 -1.68 0.00 0.00 37.83 34.04 2cr8 s LYS 25 CO 0.79 -0.58 -0.18 0.54 -0.76 0.00 0.00 175.35 175.15 2cr8 n ARG 26 N -2.59 0.41 -3.04 1.68 1.74 -1.26 -4.90 116.66 108.70 2cr8 n ARG 26 Ca 0.06 0.13 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 2cr8 n ARG 26 Cb 0.54 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.66 2cr8 n ARG 26 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2cr8 s TYR 27 N -2.34 3.24 0.12 -1.55 1.51 -1.26 -3.40 117.35 113.68 2cr8 s TYR 27 Ca -0.24 0.78 -0.34 0.00 -1.01 0.00 0.00 57.07 56.26 2cr8 s TYR 27 Cb 0.07 -3.03 -0.18 0.00 -0.11 0.00 0.00 41.96 38.72 2cr8 s TYR 27 CO 0.36 -0.45 0.89 0.00 -1.11 0.00 0.00 175.55 175.24 2cr8 n PHE 29 N 0.93 0.61 0.00 0.00 7.35 -1.26 -1.14 117.46 123.95 2cr8 n PHE 29 Ca 0.18 -0.30 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 2cr8 n PHE 29 Cb 0.19 -0.25 0.00 0.00 0.35 0.00 0.00 39.48 39.77 2cr8 n PHE 29 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2cr8 n ARG 30 N 0.15 0.00 -0.46 -4.13 5.12 -1.26 -4.85 116.66 111.23 2cr8 n ARG 30 Ca 0.09 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 56.07 2cr8 n ARG 30 Cb 0.56 -0.63 0.10 0.00 -1.16 0.00 0.00 32.46 31.33 2cr8 n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cr8 n TRP 32 N -0.76 -0.90 -3.46 0.00 7.02 -0.29 -4.85 117.44 114.20 2cr8 n TRP 32 Ca 0.11 0.33 -0.40 0.00 -1.02 0.00 0.00 57.50 56.52 2cr8 n TRP 32 Cb 0.73 -1.96 -0.10 0.00 -2.42 0.00 0.00 31.31 27.56 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 -3.97 3.52 0.60 6.99 0.00 -1.25 -4.76 121.76 122.89 2cr8 s ALA 33 Ca 0.09 -1.12 -0.20 0.00 0.00 0.00 0.00 51.96 50.73 2cr8 s ALA 33 Cb -0.05 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 2cr8 s ALA 33 CO 0.70 -0.85 1.32 -1.17 0.00 0.00 0.00 175.76 175.75 2cr8 s LEU 34 N 1.93 3.70 1.03 0.00 2.96 -1.26 -2.11 118.68 124.93 2cr8 s LEU 34 Ca 0.11 2.67 -0.23 0.00 -0.22 0.00 0.00 54.13 56.46 2cr8 s LEU 34 Cb -0.16 -4.46 -0.09 0.00 0.50 0.00 0.00 46.19 41.97 2cr8 s LEU 34 CO 0.11 -1.78 -0.88 0.54 -1.32 0.00 0.00 176.35 173.02 2cr8 n ARG 35 N -1.49 -0.48 -2.13 1.98 5.12 -1.22 -4.78 116.66 113.67 2cr8 n ARG 35 Ca 0.13 -0.13 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 2cr8 n ARG 35 Cb 0.47 -1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 30.49 2cr8 n ARG 35 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2cr8 s LYS 36 N -2.52 4.19 -0.45 5.56 -0.14 -1.26 -4.97 119.74 120.15 2cr8 s LYS 36 Ca 0.44 2.03 -0.16 0.00 -1.36 0.00 0.00 55.97 56.92 2cr8 s LYS 36 Cb -0.02 -3.92 0.05 0.00 -1.68 0.00 0.00 37.83 32.26 2cr8 s LYS 36 CO 0.69 -0.81 0.43 -0.51 -0.76 0.00 0.00 175.35 174.39 2cr8 s ASP 37 N 2.95 6.17 -0.14 2.83 1.11 -1.26 -4.87 116.67 123.46 2cr8 s ASP 37 Ca 0.68 -1.00 0.02 0.00 0.18 0.00 0.00 52.55 52.43 2cr8 s ASP 37 Cb -0.30 -2.21 -0.10 0.00 1.07 0.00 0.00 42.92 41.39 2cr8 s ASP 37 CO 0.25 -0.64 -0.11 1.87 1.18 0.00 0.00 175.17 177.73 2cr8 n TRP 38 N 5.47 0.00 -4.53 4.23 -0.00 -1.26 -5.02 117.44 116.33 2cr8 n TRP 38 Ca -0.10 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.19 2cr8 n TRP 38 Cb 0.46 -0.54 -0.15 0.00 -0.00 0.00 0.00 31.31 31.07 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 -2.28 1.11 -0.26 5.87 -0.85 -1.26 -5.14 117.35 114.54 2cr8 s TYR 39 Ca -0.18 -0.24 -0.23 0.00 -0.52 0.00 0.00 57.07 55.91 2cr8 s TYR 39 Cb 0.05 -0.74 0.07 0.00 0.38 0.00 0.00 41.96 41.72 2cr8 s TYR 39 CO 0.34 -0.05 0.69 -1.12 -1.52 0.00 0.00 175.55 173.89 2cr8 s SER 40 N -0.14 -0.75 -0.21 -0.18 0.01 -1.26 -5.15 113.70 106.03 2cr8 s SER 40 Ca 0.02 1.40 -0.15 0.00 1.31 0.00 0.00 55.95 58.54 2cr8 s SER 40 Cb -0.06 1.40 -0.04 0.00 0.21 0.00 0.00 66.02 67.53 2cr8 s SER 40 CO -0.00 -0.24 0.34 -1.81 0.41 0.00 0.00 173.24 171.94 2cr8 s ASP 41 N 0.54 6.36 -1.26 2.44 1.11 -1.26 -5.00 116.67 119.59 2cr8 s ASP 41 Ca -0.01 0.42 -0.19 0.00 0.18 0.00 0.00 52.55 52.94 2cr8 s ASP 41 Cb -0.05 -2.20 0.05 0.00 1.07 0.00 0.00 42.92 41.79 2cr8 s ASP 41 CO -0.02 -0.04 1.74 0.00 1.18 0.00 0.00 175.17 178.02 2cr8 h SER 43 N 7.99 -1.03 -3.42 0.00 4.64 -2.05 -3.43 113.55 116.25 2cr8 h SER 43 Ca 0.40 0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.80 2cr8 h SER 43 Cb 0.89 0.42 -0.23 0.00 -0.31 0.00 0.00 62.40 63.17 2cr8 h SER 43 CO 1.43 -0.38 -0.11 -0.54 -0.87 0.00 0.00 176.83 176.36 2cr8 s LYS 44 N -5.99 0.59 0.21 4.77 1.02 -1.26 -5.05 119.74 114.04 2cr8 s LYS 44 Ca -0.15 0.93 -0.11 0.00 0.02 0.00 0.00 55.97 56.66 2cr8 s LYS 44 Cb 0.10 0.15 0.30 0.00 -0.52 0.00 0.00 37.83 37.86 2cr8 s LYS 44 CO 0.65 -0.13 1.66 -0.07 -0.92 0.00 0.00 175.35 176.55 2cr8 h LEU 45 N 6.39 -0.27 -7.00 3.17 -0.00 -2.01 -3.44 115.31 112.15 2cr8 h LEU 45 Ca -0.31 0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.71 2cr8 h LEU 45 Cb 1.19 0.27 -0.21 0.00 -0.00 0.00 0.00 40.66 41.92 2cr8 h LEU 45 CO 0.20 -0.12 0.29 0.28 -0.00 0.00 0.00 178.44 179.10 2cr8 s THR 46 N -6.15 0.00 -0.90 0.22 -1.32 -1.26 -5.10 115.64 101.13 2cr8 s THR 46 Ca -0.13 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.25 2cr8 s THR 46 Cb 0.19 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.41 2cr8 s THR 46 CO 0.74 0.00 0.83 -1.00 -2.21 0.00 0.00 174.62 172.98 2cr8 s HIS 47 N -0.83 3.89 -1.83 9.09 3.76 -1.26 -4.70 115.29 123.40 2cr8 s HIS 47 Ca -0.06 -2.46 -0.20 0.00 -0.15 0.00 0.00 55.06 52.19 2cr8 s HIS 47 Cb -0.01 -3.66 0.20 0.00 1.11 0.00 0.00 32.58 30.22 2cr8 s HIS 47 CO 0.05 -0.92 0.54 -1.13 -0.85 0.00 0.00 174.74 172.43 2cr8 n SER 48 N 3.27 -1.57 0.00 1.40 3.41 -1.26 -4.49 113.62 114.39 2cr8 n SER 48 Ca 0.17 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 2cr8 n SER 48 Cb 0.42 -1.69 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 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 -1.29 1.46 3.77 5.00 0.00 -1.26 -5.00 105.19 107.87 2cr8 n GLY 49 Ca 0.06 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.10 4.39 -0.24 1.61 0.04 -1.26 -4.97 135.00 131.46 2cr8 s PRO 50 Ca 0.00 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 2cr8 s PRO 50 Cb 0.00 -3.04 -0.17 0.00 0.04 0.00 0.00 34.50 31.34 2cr8 s PRO 50 CO 0.00 -0.09 -0.12 -1.13 0.04 0.00 0.00 177.00 175.70 2cr8 n SER 51 N 0.78 1.98 -4.76 6.66 3.41 -1.26 -4.93 113.62 115.50 2cr8 n SER 51 Ca 0.00 0.16 -0.36 0.00 -0.26 0.00 0.00 58.87 58.42 2cr8 n SER 51 Cb 0.44 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.61 2cr8 n SER 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cr8 s SER 52 N -7.00 6.28 0.00 4.04 0.01 -1.26 -5.30 113.70 110.47 2cr8 s SER 52 Ca -0.34 0.32 0.30 0.00 1.31 0.00 0.00 55.95 57.54 2cr8 s SER 52 Cb 0.10 -2.10 1.39 0.00 0.21 0.00 0.00 66.02 65.63 2cr8 s SER 52 CO 0.58 0.22 1.94 0.61 0.41 0.00 0.00 173.24 177.00