#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 2.55 -0.39 1.61 0.15 -1.26 -5.11 113.70 111.26 2cr8 s SER 2 Ca 0.00 -0.65 -0.22 0.00 0.70 0.00 0.00 55.95 55.78 2cr8 s SER 2 Cb 0.00 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.16 2cr8 s SER 2 CO 0.00 0.09 0.73 -0.55 1.20 0.00 0.00 173.24 174.70 2cr8 s SER 3 N -1.74 6.46 0.44 5.45 0.15 -1.26 -5.05 113.70 118.15 2cr8 s SER 3 Ca 0.07 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2cr8 s SER 3 Cb -0.10 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2cr8 s SER 3 CO 0.04 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2cr8 n GLY 4 N 4.73 -3.50 2.23 9.45 0.00 -1.26 -4.93 105.19 111.91 2cr8 n GLY 4 Ca 0.01 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 2cr8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cr8 n SER 5 N -1.32 5.76 -4.26 1.61 7.64 -1.26 -4.98 113.62 116.81 2cr8 n SER 5 Ca 0.00 -3.76 -0.35 0.00 1.01 0.00 0.00 58.87 55.77 2cr8 n SER 5 Cb 0.00 -0.57 -0.14 0.00 -1.01 0.00 0.00 64.21 62.49 2cr8 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr8 s SER 6 N -2.98 4.20 0.00 6.43 0.01 -1.26 -4.97 113.70 115.13 2cr8 s SER 6 Ca 0.54 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2cr8 s SER 6 Cb 0.44 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.97 2cr8 s SER 6 CO -0.04 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2cr8 n GLY 7 N 4.75 0.15 2.73 3.44 0.00 -1.26 -5.12 105.19 109.88 2cr8 n GLY 7 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 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 1.00 1.31 0.02 1.61 1.04 -1.26 -5.14 113.70 112.27 2cr8 s SER 8 Ca 0.00 -0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.21 2cr8 s SER 8 Cb 0.00 0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.13 2cr8 s SER 8 CO 0.00 -0.28 0.55 -1.61 0.98 0.00 0.00 173.24 172.88 2cr8 s GLU 9 N 2.23 4.23 -1.01 4.02 0.41 -1.26 -5.01 118.70 122.31 2cr8 s GLU 9 Ca 0.04 0.68 -0.22 0.00 -0.41 0.00 0.00 54.97 55.05 2cr8 s GLU 9 Cb -0.13 -3.30 0.06 0.00 -1.78 0.00 0.00 34.13 28.98 2cr8 s GLU 9 CO -0.07 0.49 1.42 0.34 -0.49 0.00 0.00 175.26 176.95 2cr8 s ASP 10 N -0.57 6.52 0.11 -0.19 -1.08 -1.26 -4.97 116.67 115.23 2cr8 s ASP 10 Ca 0.29 -1.53 0.11 0.00 -0.52 0.00 0.00 52.55 50.90 2cr8 s ASP 10 Cb -0.18 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.69 2cr8 s ASP 10 CO 0.17 -1.46 -0.27 -1.61 0.52 0.00 0.00 175.17 172.52 2cr8 s GLU 11 N 4.73 1.51 -0.22 4.34 2.02 -1.26 -4.46 118.70 125.36 2cr8 s GLU 11 Ca 0.45 -1.29 -0.15 0.00 0.02 0.00 0.00 54.97 54.00 2cr8 s GLU 11 Cb -0.00 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 2cr8 s GLU 11 CO -0.10 0.47 0.38 1.67 0.02 0.00 0.00 175.26 177.70 2cr8 s TRP 12 N -1.00 3.34 0.68 1.61 1.48 -1.14 -4.89 118.94 119.02 2cr8 s TRP 12 Ca 0.14 0.54 -0.12 0.00 -1.06 0.00 0.00 56.10 55.60 2cr8 s TRP 12 Cb -0.10 -2.52 0.00 0.00 -1.16 0.00 0.00 33.47 29.69 2cr8 s TRP 12 CO 0.05 -0.06 1.06 -1.14 -4.06 0.00 0.00 176.95 172.81 2cr8 s GLN 13 N 1.47 2.95 -0.16 3.25 0.74 -1.26 -2.58 119.66 124.07 2cr8 s GLN 13 Ca 0.17 1.05 -0.07 0.00 0.05 0.00 0.00 55.36 56.56 2cr8 s GLN 13 Cb -0.15 -1.99 -0.04 0.00 1.10 0.00 0.00 33.01 31.93 2cr8 s GLN 13 CO 0.08 -1.10 0.09 0.00 -0.55 0.00 0.00 175.29 173.82 2cr8 n THR 15 N 2.96 1.90 0.02 0.00 5.66 -1.26 -1.90 114.28 121.65 2cr8 n THR 15 Ca -0.18 -0.92 0.00 0.00 -3.05 0.00 0.00 64.05 59.90 2cr8 n THR 15 Cb 0.53 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 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 -0.07 0.00 -0.00 1.09 -0.58 -1.26 -4.89 120.64 114.93 2cr8 n GLU 16 Ca 0.25 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 57.03 2cr8 n GLU 16 Cb 0.98 -0.28 -0.05 0.00 -0.57 0.00 0.00 31.44 31.51 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 -1.41 -5.15 -4.36 0.00 4.76 -0.80 -5.01 118.16 106.19 2cr8 n LYS 18 Ca 0.00 0.60 -0.33 0.00 -2.87 0.00 0.00 58.31 55.71 2cr8 n LYS 18 Cb 0.16 -4.90 -0.16 0.00 -1.84 0.00 0.00 35.03 28.29 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 -5.40 3.07 0.22 1.97 2.47 -1.26 -4.80 119.74 116.01 2cr8 s LYS 19 Ca 0.19 -0.81 -0.32 0.00 -1.56 0.00 0.00 55.97 53.47 2cr8 s LYS 19 Cb -0.08 -2.57 -0.13 0.00 -1.46 0.00 0.00 37.83 33.59 2cr8 s LYS 19 CO 0.52 -0.10 1.50 1.19 0.16 0.00 0.00 175.35 178.62 2cr8 n PHE 20 N 4.35 2.33 -4.33 4.03 3.72 -1.26 -3.68 117.46 122.62 2cr8 n PHE 20 Ca -0.20 0.34 -0.19 0.00 -0.05 0.00 0.00 57.45 57.35 2cr8 n PHE 20 Cb 0.51 -2.52 -0.10 0.00 -0.94 0.00 0.00 39.48 36.43 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 0.56 2.47 0.38 4.37 0.01 -1.06 -5.01 114.94 116.65 2cr8 s ASN 21 Ca 0.71 -0.97 -0.26 0.00 -0.71 0.00 0.00 52.86 51.63 2cr8 s ASN 21 Cb -0.63 -0.12 -0.09 0.00 0.41 0.00 0.00 41.25 40.82 2cr8 s ASN 21 CO 0.45 -0.15 1.16 -0.44 -1.51 0.00 0.00 177.10 176.61 2cr8 s SER 22 N -3.10 6.67 0.00 -1.22 0.01 -1.26 -2.90 113.70 111.90 2cr8 s SER 22 Ca 0.19 2.35 0.14 0.00 1.31 0.00 0.00 55.95 59.95 2cr8 s SER 22 Cb -0.02 -2.62 0.67 0.00 0.21 0.00 0.00 66.02 64.27 2cr8 s SER 22 CO 0.06 -0.57 1.43 -0.81 0.41 0.00 0.00 173.24 173.76 2cr8 n PRO 23 N 0.30 0.10 0.03 12.44 -0.04 -1.26 -2.88 135.00 143.68 2cr8 n PRO 23 Ca 0.03 0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.49 2cr8 n PRO 23 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.41 -4.27 3.54 0.02 -1.95 -3.47 113.55 107.84 2cr8 h SER 24 Ca 0.00 -0.90 -0.50 0.00 -0.84 0.00 0.00 61.79 59.55 2cr8 h SER 24 Cb 0.19 -0.13 0.12 0.00 0.14 0.00 0.00 62.40 62.72 2cr8 h SER 24 CO 0.00 1.48 0.32 -0.54 -1.14 0.00 0.00 176.83 176.95 2cr8 s LYS 25 N -2.44 2.23 -0.21 3.45 -0.14 -1.14 -5.02 119.74 116.47 2cr8 s LYS 25 Ca -0.17 0.93 -0.10 0.00 -1.36 0.00 0.00 55.97 55.27 2cr8 s LYS 25 Cb 0.02 -1.91 -0.09 0.00 -1.68 0.00 0.00 37.83 34.17 2cr8 s LYS 25 CO 0.80 -1.60 -0.27 -2.13 -0.76 0.00 0.00 175.35 171.39 2cr8 n ARG 26 N -3.46 0.44 -3.46 1.68 0.63 -1.26 -4.92 116.66 106.31 2cr8 n ARG 26 Ca 0.08 0.19 -0.26 0.00 -0.92 0.00 0.00 57.85 56.94 2cr8 n ARG 26 Cb 0.54 -1.24 -0.02 0.00 0.45 0.00 0.00 32.46 32.19 2cr8 n ARG 26 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2cr8 s TYR 27 N -2.38 3.49 -0.01 -0.14 1.51 -1.26 -4.03 117.35 114.53 2cr8 s TYR 27 Ca -0.29 0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.87 2cr8 s TYR 27 Cb 0.11 -1.93 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 2cr8 s TYR 27 CO 0.36 0.20 1.35 0.00 -1.11 0.00 0.00 175.55 176.36 2cr8 n PHE 29 N 5.25 0.46 0.00 0.00 -1.74 -1.26 -0.98 117.46 119.19 2cr8 n PHE 29 Ca 0.12 -0.48 0.00 0.00 -0.56 0.00 0.00 57.45 56.53 2cr8 n PHE 29 Cb 0.44 -0.29 0.00 0.00 1.52 0.00 0.00 39.48 41.15 2cr8 n PHE 29 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2cr8 n ARG 30 N 0.17 0.50 -0.92 3.97 5.12 -1.26 -4.88 116.66 119.35 2cr8 n ARG 30 Ca 0.08 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.04 2cr8 n ARG 30 Cb 0.59 -0.63 0.06 0.00 -1.16 0.00 0.00 32.46 31.31 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 -0.10 -0.85 -2.50 0.00 7.02 -0.15 -4.87 117.44 115.98 2cr8 n TRP 32 Ca 0.07 0.42 -0.27 0.00 -1.02 0.00 0.00 57.50 56.71 2cr8 n TRP 32 Cb 0.90 -1.84 0.01 0.00 -2.42 0.00 0.00 31.31 27.96 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 -3.77 3.35 -0.16 6.99 0.00 -1.24 -4.76 121.76 122.17 2cr8 s ALA 33 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2cr8 s ALA 33 Cb -0.04 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2cr8 s ALA 33 CO 0.69 -0.56 -0.16 -1.17 0.00 0.00 0.00 175.76 174.56 2cr8 s LEU 34 N -4.87 2.41 -0.63 0.00 0.20 -1.26 -1.64 118.68 112.89 2cr8 s LEU 34 Ca 0.51 -0.51 -0.23 0.00 0.69 0.00 0.00 54.13 54.58 2cr8 s LEU 34 Cb -0.10 -1.55 -0.15 0.00 -0.43 0.00 0.00 46.19 43.96 2cr8 s LEU 34 CO 0.45 0.07 1.80 0.54 -0.29 0.00 0.00 176.35 178.93 2cr8 n ARG 35 N 4.18 0.00 -3.09 1.98 1.74 -1.26 -4.79 116.66 115.42 2cr8 n ARG 35 Ca -0.19 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.44 2cr8 n ARG 35 Cb 0.51 -1.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.89 2cr8 n ARG 35 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2cr8 s LYS 36 N 5.85 3.71 0.61 5.56 2.47 -1.26 -5.03 119.74 131.65 2cr8 s LYS 36 Ca 0.93 -2.20 -0.20 0.00 -1.56 0.00 0.00 55.97 52.94 2cr8 s LYS 36 Cb -0.91 -4.76 -0.03 0.00 -1.46 0.00 0.00 37.83 30.67 2cr8 s LYS 36 CO 0.37 -1.58 1.32 -0.40 0.16 0.00 0.00 175.35 175.22 2cr8 n ASP 37 N 5.34 2.35 -4.10 1.43 5.75 -1.26 -5.02 116.55 121.04 2cr8 n ASP 37 Ca 0.22 0.89 -0.30 0.00 -0.01 0.00 0.00 54.79 55.60 2cr8 n ASP 37 Cb 0.47 -1.57 -0.17 0.00 -1.03 0.00 0.00 41.12 38.83 2cr8 n ASP 37 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 2cr8 s TRP 38 N -1.34 2.21 -0.20 2.11 -2.14 -1.26 -5.10 118.94 113.23 2cr8 s TRP 38 Ca 0.78 -1.07 -0.29 0.00 2.66 0.00 0.00 56.10 58.18 2cr8 s TRP 38 Cb -0.40 -1.56 -0.02 0.00 -3.10 0.00 0.00 33.47 28.40 2cr8 s TRP 38 CO 0.44 -0.52 1.44 0.71 -2.66 0.00 0.00 176.95 176.36 2cr8 s TYR 39 N 0.92 2.45 -0.20 1.66 1.51 -1.26 -4.89 117.35 117.54 2cr8 s TYR 39 Ca -0.07 0.71 -0.09 0.00 -1.01 0.00 0.00 57.07 56.61 2cr8 s TYR 39 Cb -0.15 -3.81 -0.20 0.00 -0.11 0.00 0.00 41.96 37.69 2cr8 s TYR 39 CO -0.01 -2.40 0.07 0.45 -1.11 0.00 0.00 175.55 172.55 2cr8 n SER 40 N 7.50 2.01 -4.74 2.29 2.88 -1.26 -4.98 113.62 117.31 2cr8 n SER 40 Ca 0.16 0.20 -0.23 0.00 -1.33 0.00 0.00 58.87 57.67 2cr8 n SER 40 Cb 0.45 -0.77 -0.06 0.00 -0.75 0.00 0.00 64.21 63.08 2cr8 n SER 40 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2cr8 s ASP 41 N -6.95 4.87 -0.96 -3.46 1.01 -1.26 -5.07 116.67 104.84 2cr8 s ASP 41 Ca -0.30 -0.60 -0.12 0.00 0.71 0.00 0.00 52.55 52.24 2cr8 s ASP 41 Cb 0.08 -0.92 0.24 0.00 1.01 0.00 0.00 42.92 43.33 2cr8 s ASP 41 CO 0.64 -0.16 0.94 0.00 0.21 0.00 0.00 175.17 176.80 2cr8 s SER 43 N 1.93 6.24 1.25 0.00 0.15 -1.26 -5.05 113.70 116.96 2cr8 s SER 43 Ca 0.24 -0.86 -0.19 0.00 0.70 0.00 0.00 55.95 55.84 2cr8 s SER 43 Cb -0.09 -2.34 0.30 0.00 -1.71 0.00 0.00 66.02 62.18 2cr8 s SER 43 CO -0.08 -1.04 1.05 -0.54 1.20 0.00 0.00 173.24 173.82 2cr8 s LYS 44 N 3.06 -1.59 0.24 5.44 1.02 -1.26 -5.08 119.74 121.56 2cr8 s LYS 44 Ca 0.19 0.10 -0.22 0.00 0.02 0.00 0.00 55.97 56.06 2cr8 s LYS 44 Cb -0.18 -1.54 0.05 0.00 -0.52 0.00 0.00 37.83 35.64 2cr8 s LYS 44 CO 0.13 -3.99 0.87 -0.48 -0.92 0.00 0.00 175.35 170.95 2cr8 s LEU 45 N -7.20 -0.15 0.34 3.17 2.34 -1.26 -5.19 118.68 110.74 2cr8 s LEU 45 Ca 0.70 -0.62 0.05 0.00 0.06 0.00 0.00 54.13 54.32 2cr8 s LEU 45 Cb -0.13 2.44 -0.07 0.00 -0.56 0.00 0.00 46.19 47.88 2cr8 s LEU 45 CO 0.57 -1.18 0.02 0.42 -1.06 0.00 0.00 176.35 175.12 2cr8 s THR 46 N -3.19 1.55 0.34 5.48 -4.23 -1.26 -5.12 115.64 109.21 2cr8 s THR 46 Ca 0.14 -2.03 -0.28 0.00 -1.18 0.00 0.00 61.69 58.33 2cr8 s THR 46 Cb -0.04 -2.78 -0.10 0.00 1.34 0.00 0.00 72.50 70.92 2cr8 s THR 46 CO 0.06 -0.07 1.26 -2.28 -0.54 0.00 0.00 174.62 173.05 2cr8 s HIS 47 N -3.04 3.10 0.17 3.99 2.46 -1.26 -4.92 115.29 115.79 2cr8 s HIS 47 Ca 0.35 1.47 -0.33 0.00 0.47 0.00 0.00 55.06 57.02 2cr8 s HIS 47 Cb 0.08 -3.59 -0.15 0.00 -0.13 0.00 0.00 32.58 28.78 2cr8 s HIS 47 CO 0.16 -1.63 1.26 0.45 -2.47 0.00 0.00 174.74 172.50 2cr8 n SER 48 N 0.71 1.77 0.00 9.88 2.88 -1.26 -4.42 113.62 123.18 2cr8 n SER 48 Ca 0.01 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2cr8 n SER 48 Cb 0.43 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 2cr8 n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr8 n GLY 49 N 2.19 0.66 3.56 0.46 0.00 -1.26 -5.03 105.19 105.78 2cr8 n GLY 49 Ca 0.15 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 2.55 -0.08 1.61 0.04 -1.26 -4.94 135.00 132.92 2cr8 s PRO 50 Ca 0.00 -0.45 0.03 0.00 0.04 0.00 0.00 61.00 60.62 2cr8 s PRO 50 Cb 0.00 -5.10 -0.02 0.00 0.04 0.00 0.00 34.50 29.43 2cr8 s PRO 50 CO 0.00 -3.49 -0.17 -1.54 0.04 0.00 0.00 177.00 171.84 2cr8 s SER 51 N 7.75 3.73 -0.22 6.66 1.04 -1.26 -5.00 113.70 126.39 2cr8 s SER 51 Ca 0.70 -0.33 -0.18 0.00 0.48 0.00 0.00 55.95 56.62 2cr8 s SER 51 Cb -0.06 -1.07 0.06 0.00 0.10 0.00 0.00 66.02 65.05 2cr8 s SER 51 CO 0.02 0.26 0.57 -0.55 0.98 0.00 0.00 173.24 174.52 2cr8 s SER 52 N -0.24 -0.64 0.00 7.02 0.15 -1.26 -5.27 113.70 113.46 2cr8 s SER 52 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2cr8 s SER 52 Cb -0.13 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 2cr8 s SER 52 CO 0.03 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.87