#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr8 n SER 2 N 0.00 1.71 -0.09 1.61 2.88 -1.26 -4.93 113.62 113.54 2cr8 n SER 2 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2cr8 n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2cr8 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cr8 n SER 3 N -2.71 1.53 0.00 -3.46 3.41 -1.26 -5.04 113.62 106.09 2cr8 n SER 3 Ca 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2cr8 n SER 3 Cb 0.46 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2cr8 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cr8 n GLY 4 N 1.77 3.05 3.92 5.00 0.00 -1.26 -5.03 105.19 112.64 2cr8 n GLY 4 Ca -0.33 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 2cr8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cr8 s SER 5 N 0.00 6.39 -0.16 1.61 1.04 -1.26 -5.09 113.70 116.23 2cr8 s SER 5 Ca 0.00 0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.64 2cr8 s SER 5 Cb 0.00 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 64.09 2cr8 s SER 5 CO 0.00 0.07 0.26 -0.44 0.98 0.00 0.00 173.24 174.11 2cr8 s SER 6 N -2.79 6.40 -0.00 7.02 0.01 -1.26 -5.08 113.70 118.00 2cr8 s SER 6 Ca 0.37 0.47 0.03 0.00 1.31 0.00 0.00 55.95 58.12 2cr8 s SER 6 Cb -0.12 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 2cr8 s SER 6 CO 0.28 0.13 -0.09 -0.83 0.41 0.00 0.00 173.24 173.14 2cr8 s GLY 7 N 0.34 0.44 -0.66 3.44 0.00 -1.26 -5.04 107.32 104.58 2cr8 s GLY 7 Ca 0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.45 2cr8 s GLY 7 CO 0.03 -0.34 2.02 -1.14 0.00 0.00 0.00 173.10 173.67 2cr8 n SER 8 N 2.80 7.56 -3.54 1.64 3.41 -1.26 -4.84 113.62 119.39 2cr8 n SER 8 Ca -0.14 -3.78 -0.22 0.00 -0.26 0.00 0.00 58.87 54.47 2cr8 n SER 8 Cb 0.57 -0.97 0.08 0.00 -0.26 0.00 0.00 64.21 63.63 2cr8 n SER 8 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2cr8 n GLU 9 N -0.92 -7.60 -3.06 4.33 4.71 -1.26 -4.93 120.64 111.90 2cr8 n GLU 9 Ca 0.63 0.83 -0.45 0.00 -0.01 0.00 0.00 57.16 58.16 2cr8 n GLU 9 Cb 0.69 -5.87 -0.02 0.00 -1.01 0.00 0.00 31.44 25.23 2cr8 n GLU 9 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 2cr8 s ASP 10 N -3.60 6.71 0.28 1.62 -4.77 -1.26 -5.01 116.67 110.64 2cr8 s ASP 10 Ca 0.43 -2.33 0.09 0.00 -3.30 0.00 0.00 52.55 47.43 2cr8 s ASP 10 Cb -0.19 -2.34 -0.04 0.00 -1.09 0.00 0.00 42.92 39.26 2cr8 s ASP 10 CO 0.73 -0.87 0.05 -1.61 0.70 0.00 0.00 175.17 174.16 2cr8 s GLU 11 N 1.74 2.38 -0.17 2.11 2.02 -1.26 -4.17 118.70 121.36 2cr8 s GLU 11 Ca 0.29 -1.40 -0.14 0.00 0.02 0.00 0.00 54.97 53.73 2cr8 s GLU 11 Cb -0.06 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.91 2cr8 s GLU 11 CO -0.09 0.32 0.31 1.67 0.02 0.00 0.00 175.26 177.48 2cr8 s TRP 12 N -2.32 3.45 0.50 1.61 1.48 -0.79 -4.75 118.94 118.11 2cr8 s TRP 12 Ca 0.33 0.59 -0.21 0.00 -1.06 0.00 0.00 56.10 55.75 2cr8 s TRP 12 Cb -0.06 -2.37 -0.07 0.00 -1.16 0.00 0.00 33.47 29.82 2cr8 s TRP 12 CO 0.21 0.20 1.14 -1.14 -4.06 0.00 0.00 176.95 173.31 2cr8 s GLN 13 N 0.58 3.59 0.87 3.25 0.74 -1.26 -1.02 119.66 126.41 2cr8 s GLN 13 Ca 0.17 1.68 -0.12 0.00 0.05 0.00 0.00 55.36 57.15 2cr8 s GLN 13 Cb -0.13 -2.22 0.15 0.00 1.10 0.00 0.00 33.01 31.91 2cr8 s GLN 13 CO 0.04 -0.67 1.21 0.00 -0.55 0.00 0.00 175.29 175.32 2cr8 n THR 15 N -3.43 0.00 -0.05 0.00 -2.24 -1.26 -3.93 114.28 103.36 2cr8 n THR 15 Ca 0.13 -0.47 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 2cr8 n THR 15 Cb 0.60 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.76 0.49 -0.11 -0.78 -0.58 -1.26 -4.72 120.64 112.93 2cr8 n GLU 16 Ca 0.01 0.05 0.07 0.00 -0.42 0.00 0.00 57.16 56.87 2cr8 n GLU 16 Cb 0.03 -1.20 0.10 0.00 -0.57 0.00 0.00 31.44 29.80 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 -1.11 -1.22 -3.90 0.00 4.76 -1.25 -4.84 118.16 110.60 2cr8 n LYS 18 Ca 0.12 0.07 -0.36 0.00 -2.87 0.00 0.00 58.31 55.27 2cr8 n LYS 18 Cb 0.59 -3.24 -0.13 0.00 -1.84 0.00 0.00 35.03 30.41 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 -4.85 3.59 0.83 1.97 2.36 -1.26 -4.52 119.74 117.85 2cr8 s LYS 19 Ca 0.43 -0.52 -0.13 0.00 -2.55 0.00 0.00 55.97 53.20 2cr8 s LYS 19 Cb -0.25 -3.17 0.09 0.00 -1.05 0.00 0.00 37.83 33.45 2cr8 s LYS 19 CO 0.53 -0.11 1.15 1.19 1.55 0.00 0.00 175.35 179.66 2cr8 n PHE 20 N 4.63 1.06 -3.80 4.03 3.72 -1.26 -2.40 117.46 123.44 2cr8 n PHE 20 Ca -0.17 0.40 -0.12 0.00 -0.05 0.00 0.00 57.45 57.51 2cr8 n PHE 20 Cb 0.51 -2.07 -0.09 0.00 -0.94 0.00 0.00 39.48 36.89 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 -2.19 -0.08 0.15 4.37 0.01 -0.19 -4.88 114.94 112.13 2cr8 s ASN 21 Ca 0.72 -0.11 -0.25 0.00 -0.71 0.00 0.00 52.86 52.51 2cr8 s ASN 21 Cb -0.28 0.28 -0.15 0.00 0.41 0.00 0.00 41.25 41.52 2cr8 s ASN 21 CO 0.53 -0.47 0.49 -1.20 -1.51 0.00 0.00 177.10 174.94 2cr8 n SER 22 N 1.13 -0.97 0.00 -1.22 7.64 -1.26 -1.88 113.62 117.06 2cr8 n SER 22 Ca -0.21 0.97 0.05 0.00 1.01 0.00 0.00 58.87 60.69 2cr8 n SER 22 Cb 0.57 -0.81 0.30 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.90 0.49 -0.05 1.43 -0.04 -1.26 -3.45 135.00 133.01 2cr8 n PRO 23 Ca 0.16 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2cr8 n PRO 23 Cb 0.20 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.82 1.59 -4.60 3.54 2.88 -1.26 -5.02 113.62 109.92 2cr8 n SER 24 Ca 0.08 0.26 -0.30 0.00 -1.33 0.00 0.00 58.87 57.58 2cr8 n SER 24 Cb 0.03 -0.62 0.20 0.00 -0.75 0.00 0.00 64.21 63.07 2cr8 n SER 24 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2cr8 s LYS 25 N -2.54 0.28 -0.00 -1.46 -0.14 -1.22 -4.99 119.74 109.66 2cr8 s LYS 25 Ca -0.20 1.22 0.00 0.00 -1.36 0.00 0.00 55.97 55.63 2cr8 s LYS 25 Cb 0.03 -1.67 -0.00 0.00 -1.68 0.00 0.00 37.83 34.51 2cr8 s LYS 25 CO 0.30 -3.03 -0.00 0.54 -0.76 0.00 0.00 175.35 172.40 2cr8 n ARG 26 N -4.48 0.01 -2.49 1.68 3.00 -1.26 -4.82 116.66 108.30 2cr8 n ARG 26 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.49 2cr8 n ARG 26 Cb 0.53 -0.95 -0.02 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 -2.01 2.72 0.08 -1.55 1.51 -1.26 -2.19 117.35 114.66 2cr8 s TYR 27 Ca -0.00 0.82 -0.36 0.00 -1.01 0.00 0.00 57.07 56.52 2cr8 s TYR 27 Cb 0.00 -4.14 -0.16 0.00 -0.11 0.00 0.00 41.96 37.56 2cr8 s TYR 27 CO 0.01 -1.50 1.42 0.00 -1.11 0.00 0.00 175.55 174.37 2cr8 n PHE 29 N 2.93 0.80 0.00 0.00 7.35 -1.26 -1.41 117.46 125.87 2cr8 n PHE 29 Ca 0.19 -0.66 0.00 0.00 -0.76 0.00 0.00 57.45 56.21 2cr8 n PHE 29 Cb 0.21 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 39.67 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 0.07 0.00 -0.54 -4.13 1.74 -1.26 -4.87 116.66 107.67 2cr8 n ARG 30 Ca 0.14 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.28 2cr8 n ARG 30 Cb 0.74 -0.59 0.10 0.00 -1.02 0.00 0.00 32.46 31.69 2cr8 n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cr8 n TRP 32 N -0.68 -0.76 -4.28 0.00 7.02 -0.50 -4.87 117.44 113.37 2cr8 n TRP 32 Ca 0.11 0.30 -0.34 0.00 -1.02 0.00 0.00 57.50 56.55 2cr8 n TRP 32 Cb 0.75 -1.65 -0.12 0.00 -2.42 0.00 0.00 31.31 27.87 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 -3.88 3.05 0.19 6.99 0.00 -1.25 -4.81 121.76 122.04 2cr8 s ALA 33 Ca 0.05 -0.85 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 2cr8 s ALA 33 Cb -0.03 -1.65 -0.11 0.00 0.00 0.00 0.00 23.12 21.34 2cr8 s ALA 33 CO 0.59 0.12 1.60 -1.17 0.00 0.00 0.00 175.76 176.89 2cr8 s LEU 34 N 0.52 4.37 -0.75 0.00 1.98 -1.26 -1.72 118.68 121.82 2cr8 s LEU 34 Ca -0.02 2.69 -0.24 0.00 -2.89 0.00 0.00 54.13 53.67 2cr8 s LEU 34 Cb -0.14 -3.60 -0.15 0.00 0.66 0.00 0.00 46.19 42.96 2cr8 s LEU 34 CO 0.02 -0.85 2.40 -1.14 -1.89 0.00 0.00 176.35 174.89 2cr8 n ARG 35 N 3.78 0.59 -2.52 1.98 3.00 -0.93 -4.88 116.66 117.68 2cr8 n ARG 35 Ca 0.14 -0.53 -0.43 0.00 -0.00 0.00 0.00 57.85 57.02 2cr8 n ARG 35 Cb 0.38 -3.27 -0.02 0.00 0.00 0.00 0.00 32.46 29.54 2cr8 n ARG 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2cr8 s LYS 36 N 8.58 4.31 -0.28 -0.14 2.47 -1.26 -4.99 119.74 128.42 2cr8 s LYS 36 Ca 1.00 1.57 -0.20 0.00 -1.56 0.00 0.00 55.97 56.78 2cr8 s LYS 36 Cb -0.26 -3.64 0.13 0.00 -1.46 0.00 0.00 37.83 32.59 2cr8 s LYS 36 CO 0.19 -0.55 0.96 0.34 0.16 0.00 0.00 175.35 176.45 2cr8 s ASP 37 N 1.53 -0.54 0.29 1.43 2.15 -1.26 -5.02 116.67 115.26 2cr8 s ASP 37 Ca 0.52 0.94 -0.30 0.00 0.43 0.00 0.00 52.55 54.14 2cr8 s ASP 37 Cb -0.21 1.10 -0.11 0.00 -0.30 0.00 0.00 42.92 43.39 2cr8 s ASP 37 CO 0.16 -0.15 1.62 0.26 -0.17 0.00 0.00 175.17 176.88 2cr8 s TRP 38 N 0.85 2.74 0.33 -5.34 0.52 -1.26 -5.01 118.94 111.78 2cr8 s TRP 38 Ca -0.04 0.73 0.09 0.00 0.02 0.00 0.00 56.10 56.91 2cr8 s TRP 38 Cb -0.04 -4.10 -0.06 0.00 -1.15 0.00 0.00 33.47 28.12 2cr8 s TRP 38 CO -0.11 -3.72 -0.09 1.52 0.02 0.00 0.00 176.95 174.57 2cr8 s TYR 39 N 0.08 2.33 -0.49 -1.98 1.13 -1.26 -5.10 117.35 112.06 2cr8 s TYR 39 Ca 0.64 -0.53 -0.23 0.00 -1.41 0.00 0.00 57.07 55.55 2cr8 s TYR 39 Cb -0.48 -1.34 0.04 0.00 -1.10 0.00 0.00 41.96 39.07 2cr8 s TYR 39 CO 0.47 0.54 0.79 0.45 -2.51 0.00 0.00 175.55 175.29 2cr8 s SER 40 N -3.58 6.35 0.40 -0.18 0.15 -1.26 -5.03 113.70 110.55 2cr8 s SER 40 Ca 0.32 -0.34 -0.26 0.00 0.70 0.00 0.00 55.95 56.38 2cr8 s SER 40 Cb 0.03 -2.38 -0.09 0.00 -1.71 0.00 0.00 66.02 61.87 2cr8 s SER 40 CO 0.16 -0.99 1.25 -1.81 1.20 0.00 0.00 173.24 173.05 2cr8 s ASP 41 N 2.42 6.40 -0.16 5.45 1.11 -1.26 -4.90 116.67 125.74 2cr8 s ASP 41 Ca 0.27 2.53 -0.02 0.00 0.18 0.00 0.00 52.55 55.51 2cr8 s ASP 41 Cb -0.14 -2.63 0.03 0.00 1.07 0.00 0.00 42.92 41.26 2cr8 s ASP 41 CO 0.20 -0.77 2.37 0.00 1.18 0.00 0.00 175.17 178.14 2cr8 s SER 43 N 1.22 5.35 0.17 0.00 0.01 -1.26 -4.98 113.70 114.21 2cr8 s SER 43 Ca 0.28 -2.11 -0.25 0.00 1.31 0.00 0.00 55.95 55.19 2cr8 s SER 43 Cb 0.18 -1.87 0.05 0.00 0.21 0.00 0.00 66.02 64.59 2cr8 s SER 43 CO -0.03 -0.55 1.58 0.50 0.41 0.00 0.00 173.24 175.14 2cr8 h LYS 44 N 8.01 -0.23 -6.59 12.44 3.64 -2.04 -3.34 116.57 128.45 2cr8 h LYS 44 Ca -0.13 0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.70 2cr8 h LYS 44 Cb 1.04 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.84 2cr8 h LYS 44 CO 0.73 -0.16 0.90 -0.51 -2.27 0.00 0.00 179.45 178.15 2cr8 s LEU 45 N -10.59 3.62 0.39 5.20 1.02 -1.26 -5.00 118.68 112.06 2cr8 s LEU 45 Ca -0.14 0.28 -0.27 0.00 0.02 0.00 0.00 54.13 54.02 2cr8 s LEU 45 Cb 0.13 -3.36 -0.10 0.00 0.02 0.00 0.00 46.19 42.89 2cr8 s LEU 45 CO 0.67 -1.32 1.37 0.28 0.02 0.00 0.00 176.35 177.38 2cr8 s THR 46 N 4.55 2.39 -0.33 5.49 -1.32 -1.26 -4.99 115.64 120.17 2cr8 s THR 46 Ca 0.45 0.37 -0.09 0.00 -1.21 0.00 0.00 61.69 61.21 2cr8 s THR 46 Cb -0.08 -3.23 0.02 0.00 -1.51 0.00 0.00 72.50 67.70 2cr8 s THR 46 CO 0.29 0.07 0.14 -2.28 -2.21 0.00 0.00 174.62 170.63 2cr8 s HIS 47 N -1.19 3.20 -0.59 9.09 2.46 -1.26 -5.05 115.29 121.95 2cr8 s HIS 47 Ca 0.55 -0.94 -0.20 0.00 0.47 0.00 0.00 55.06 54.93 2cr8 s HIS 47 Cb -0.42 -2.34 0.08 0.00 -0.13 0.00 0.00 32.58 29.77 2cr8 s HIS 47 CO 0.55 -0.59 0.77 -1.12 -2.47 0.00 0.00 174.74 171.88 2cr8 s SER 48 N 1.53 6.20 -0.40 9.88 0.01 -1.26 -4.89 113.70 124.77 2cr8 s SER 48 Ca 0.02 -1.14 -0.02 0.00 1.31 0.00 0.00 55.95 56.12 2cr8 s SER 48 Cb -0.18 -2.34 0.20 0.00 0.21 0.00 0.00 66.02 63.91 2cr8 s SER 48 CO 0.05 -1.17 0.95 -0.83 0.41 0.00 0.00 173.24 172.65 2cr8 s GLY 49 N 3.40 -1.64 0.36 3.44 0.00 -1.26 -5.15 107.32 106.47 2cr8 s GLY 49 Ca 0.16 0.36 -0.27 0.00 0.00 0.00 0.00 44.72 44.97 2cr8 s GLY 49 CO 0.09 4.08 1.21 2.56 0.00 0.00 0.00 173.10 181.04 2cr8 s PRO 50 N 1.14 4.24 -1.06 2.90 0.04 -1.26 -4.95 135.00 136.05 2cr8 s PRO 50 Ca 0.24 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 63.04 2cr8 s PRO 50 Cb 0.07 -2.89 0.08 0.00 0.04 0.00 0.00 34.50 31.79 2cr8 s PRO 50 CO -0.09 -0.20 1.43 0.45 0.04 0.00 0.00 177.00 178.63 2cr8 s SER 51 N -0.86 6.62 -0.29 6.66 0.15 -1.26 -4.89 113.70 119.83 2cr8 s SER 51 Ca 0.52 -1.85 -0.14 0.00 0.70 0.00 0.00 55.95 55.19 2cr8 s SER 51 Cb -0.34 -2.52 0.12 0.00 -1.71 0.00 0.00 66.02 61.56 2cr8 s SER 51 CO 0.44 -1.31 0.75 -0.44 1.20 0.00 0.00 173.24 173.88 2cr8 s SER 52 N 4.43 -0.93 0.00 5.45 0.01 -1.26 -5.38 113.70 116.02 2cr8 s SER 52 Ca 0.44 1.36 0.00 0.00 1.31 0.00 0.00 55.95 59.07 2cr8 s SER 52 Cb -0.01 1.76 0.00 0.00 0.21 0.00 0.00 66.02 67.99 2cr8 s SER 52 CO -0.06 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.00