#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 5.99 -4.67 1.61 7.64 -1.26 -5.01 113.62 117.92 2cr8 n SER 2 Ca 0.00 -3.77 -0.24 0.00 1.01 0.00 0.00 58.87 55.87 2cr8 n SER 2 Cb 0.00 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 62.51 2cr8 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr8 s SER 3 N -2.82 4.73 0.00 6.43 0.01 -1.26 -4.99 113.70 115.80 2cr8 s SER 3 Ca 0.55 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2cr8 s SER 3 Cb 0.44 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2cr8 s SER 3 CO -0.05 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2cr8 n GLY 4 N -0.65 -1.31 3.68 3.44 0.00 -1.26 -5.11 105.19 103.98 2cr8 n GLY 4 Ca -0.08 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 2cr8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr8 s SER 5 N -4.00 6.72 0.14 1.61 0.15 -1.26 -4.91 113.70 112.15 2cr8 s SER 5 Ca 0.00 2.26 -0.21 0.00 0.70 0.00 0.00 55.95 58.70 2cr8 s SER 5 Cb 0.00 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2cr8 s SER 5 CO 0.00 -0.83 1.66 0.28 1.20 0.00 0.00 173.24 175.55 2cr8 h SER 6 N 8.45 -0.50 -0.72 5.45 0.02 -2.02 -3.43 113.55 120.79 2cr8 h SER 6 Ca -0.39 0.10 -0.59 0.00 -0.84 0.00 0.00 61.79 60.07 2cr8 h SER 6 Cb 1.18 0.25 0.03 0.00 0.14 0.00 0.00 62.40 64.00 2cr8 h SER 6 CO 0.93 -0.20 0.19 0.61 -1.14 0.00 0.00 176.83 177.22 2cr8 n GLY 7 N -1.31 -0.09 3.56 -3.77 0.00 -1.26 -4.68 105.19 97.64 2cr8 n GLY 7 Ca -0.02 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 0.71 4.75 0.18 1.61 1.04 -1.26 -4.81 113.70 115.91 2cr8 s SER 8 Ca 0.69 0.13 -0.13 0.00 0.48 0.00 0.00 55.95 57.11 2cr8 s SER 8 Cb -0.97 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 62.70 2cr8 s SER 8 CO 0.47 -2.93 1.84 1.05 0.98 0.00 0.00 173.24 174.65 2cr8 h GLU 9 N 14.34 0.70 -7.23 4.02 4.11 -1.87 -3.43 114.58 125.22 2cr8 h GLU 9 Ca -0.09 -0.04 -0.50 0.00 0.07 0.00 0.00 59.36 58.80 2cr8 h GLU 9 Cb 1.10 -0.16 0.07 0.00 0.50 0.00 0.00 28.75 30.26 2cr8 h GLU 9 CO 1.16 0.47 0.37 -0.51 0.07 0.00 0.00 179.01 180.57 2cr8 s ASP 10 N -5.67 5.68 0.45 3.06 1.01 -1.26 -4.78 116.67 115.16 2cr8 s ASP 10 Ca -0.13 1.77 -0.20 0.00 0.71 0.00 0.00 52.55 54.70 2cr8 s ASP 10 Cb 0.13 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.43 2cr8 s ASP 10 CO 0.75 -1.23 0.96 -1.61 0.21 0.00 0.00 175.17 174.25 2cr8 s GLU 11 N -4.30 4.14 0.07 8.23 2.02 -1.26 -4.54 118.70 123.07 2cr8 s GLU 11 Ca 0.62 1.09 -0.10 0.00 0.02 0.00 0.00 54.97 56.60 2cr8 s GLU 11 Cb -0.16 -2.16 -0.06 0.00 0.10 0.00 0.00 34.13 31.85 2cr8 s GLU 11 CO 0.41 -0.11 0.40 1.67 0.02 0.00 0.00 175.26 177.65 2cr8 s TRP 12 N -2.27 3.59 0.27 1.61 1.48 -1.18 -4.89 118.94 117.55 2cr8 s TRP 12 Ca 0.62 0.80 -0.14 0.00 -1.06 0.00 0.00 56.10 56.32 2cr8 s TRP 12 Cb -0.10 -2.17 -0.08 0.00 -1.16 0.00 0.00 33.47 29.96 2cr8 s TRP 12 CO 0.18 0.53 0.67 -1.14 -4.06 0.00 0.00 176.95 173.12 2cr8 s GLN 13 N -1.84 3.98 0.63 3.25 0.74 -1.26 -2.64 119.66 122.52 2cr8 s GLN 13 Ca 0.32 0.58 -0.07 0.00 0.05 0.00 0.00 55.36 56.24 2cr8 s GLN 13 Cb -0.14 -2.59 0.02 0.00 1.10 0.00 0.00 33.01 31.40 2cr8 s GLN 13 CO 0.18 0.26 0.96 0.00 -0.55 0.00 0.00 175.29 176.13 2cr8 n THR 15 N -2.73 0.03 -0.09 0.00 -2.24 -1.26 -3.48 114.28 104.51 2cr8 n THR 15 Ca 0.06 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 2cr8 n THR 15 Cb 0.58 0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.98 0.51 -0.20 -0.78 -0.58 -1.26 -4.58 120.64 111.77 2cr8 n GLU 16 Ca -0.03 0.42 0.07 0.00 -0.42 0.00 0.00 57.16 57.19 2cr8 n GLU 16 Cb 0.37 -1.61 0.17 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 0.70 -2.58 -3.08 0.00 4.01 -1.23 -4.83 118.16 111.16 2cr8 n LYS 18 Ca 0.13 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.52 2cr8 n LYS 18 Cb 0.45 -4.18 -0.06 0.00 -0.51 0.00 0.00 35.03 30.72 2cr8 n LYS 18 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2cr8 s LYS 19 N -4.27 3.95 0.59 1.97 2.36 -1.26 -4.36 119.74 118.71 2cr8 s LYS 19 Ca 0.00 0.40 -0.18 0.00 -2.55 0.00 0.00 55.97 53.64 2cr8 s LYS 19 Cb 0.00 -3.71 -0.06 0.00 -1.05 0.00 0.00 37.83 33.00 2cr8 s LYS 19 CO 0.00 -0.57 0.79 1.19 1.55 0.00 0.00 175.35 178.31 2cr8 n PHE 20 N 5.91 0.21 -3.82 4.03 3.72 -1.26 -3.80 117.46 122.45 2cr8 n PHE 20 Ca 0.00 0.44 -0.12 0.00 -0.05 0.00 0.00 57.45 57.72 2cr8 n PHE 20 Cb 0.49 -2.06 -0.09 0.00 -0.94 0.00 0.00 39.48 36.88 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 -1.24 -0.05 0.32 4.37 0.01 -1.08 -4.97 114.94 112.29 2cr8 s ASN 21 Ca 0.73 -0.15 -0.26 0.00 -0.71 0.00 0.00 52.86 52.48 2cr8 s ASN 21 Cb -0.43 0.27 -0.14 0.00 0.41 0.00 0.00 41.25 41.36 2cr8 s ASN 21 CO 0.50 -0.46 0.66 -1.20 -1.51 0.00 0.00 177.10 175.08 2cr8 n SER 22 N 1.13 -0.43 0.04 -1.22 7.64 -1.26 -3.12 113.62 116.40 2cr8 n SER 22 Ca -0.21 1.05 0.08 0.00 1.01 0.00 0.00 58.87 60.80 2cr8 n SER 22 Cb 0.57 -1.11 0.36 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.79 0.06 -1.18 1.43 -0.04 -1.26 -2.59 135.00 132.22 2cr8 n PRO 23 Ca 0.13 0.31 -0.19 0.00 -0.04 0.00 0.00 63.50 63.70 2cr8 n PRO 23 Cb 0.33 -1.61 0.15 0.00 -0.04 0.00 0.00 33.50 32.33 2cr8 n PRO 23 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cr8 n SER 24 N -1.72 4.15 -4.88 3.54 7.64 -1.26 -4.86 113.62 116.24 2cr8 n SER 24 Ca 0.03 -3.73 -0.27 0.00 1.01 0.00 0.00 58.87 55.91 2cr8 n SER 24 Cb 0.18 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 2cr8 n SER 24 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cr8 s LYS 25 N -3.42 2.25 0.07 1.43 -0.14 -1.07 -5.10 119.74 113.77 2cr8 s LYS 25 Ca 0.54 -2.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.09 2cr8 s LYS 25 Cb 0.45 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 34.58 2cr8 s LYS 25 CO 0.04 -0.56 0.00 -2.13 -0.76 0.00 0.00 175.35 171.94 2cr8 n ARG 26 N -1.68 0.00 -4.58 1.68 0.63 -1.26 -5.08 116.66 106.37 2cr8 n ARG 26 Ca -0.04 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.60 2cr8 n ARG 26 Cb 0.65 -0.29 -0.13 0.00 0.45 0.00 0.00 32.46 33.13 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 -1.62 2.38 -0.25 -0.14 -0.85 -1.26 -3.47 117.35 112.14 2cr8 s TYR 27 Ca 0.00 -0.36 -0.30 0.00 -0.52 0.00 0.00 57.07 55.89 2cr8 s TYR 27 Cb 0.00 -1.34 -0.07 0.00 0.38 0.00 0.00 41.96 40.93 2cr8 s TYR 27 CO 0.00 0.27 2.21 0.00 -1.52 0.00 0.00 175.55 176.50 2cr8 n PHE 29 N 11.10 0.00 -0.13 0.00 7.35 -1.26 0.14 117.46 134.66 2cr8 n PHE 29 Ca 0.33 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.80 2cr8 n PHE 29 Cb 0.39 -0.03 -0.11 0.00 0.35 0.00 0.00 39.48 40.08 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 -1.03 0.61 -0.59 -4.13 5.12 -1.26 -4.64 116.66 110.74 2cr8 n ARG 30 Ca 0.13 0.19 0.06 0.00 -1.93 0.00 0.00 57.85 56.30 2cr8 n ARG 30 Cb 0.07 -1.49 0.15 0.00 -1.16 0.00 0.00 32.46 30.03 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 -0.88 -0.91 -3.40 0.00 8.01 0.37 -4.85 117.44 115.78 2cr8 n TRP 32 Ca 0.15 0.24 -0.44 0.00 -1.31 0.00 0.00 57.50 56.14 2cr8 n TRP 32 Cb 0.75 -1.94 -0.08 0.00 -2.01 0.00 0.00 31.31 28.02 2cr8 n TRP 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2cr8 s ALA 33 N -3.97 3.55 0.53 6.99 0.00 -1.14 -4.81 121.76 122.91 2cr8 s ALA 33 Ca 0.16 -2.09 -0.22 0.00 0.00 0.00 0.00 51.96 49.81 2cr8 s ALA 33 Cb -0.09 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2cr8 s ALA 33 CO 0.69 -1.71 1.28 -0.51 0.00 0.00 0.00 175.76 175.51 2cr8 s LEU 34 N 1.64 3.87 -0.07 0.00 1.02 -1.26 -1.31 118.68 122.57 2cr8 s LEU 34 Ca 0.04 2.57 -0.41 0.00 0.02 0.00 0.00 54.13 56.36 2cr8 s LEU 34 Cb -0.24 -4.32 -0.20 0.00 0.02 0.00 0.00 46.19 41.46 2cr8 s LEU 34 CO 0.07 -1.39 1.19 0.54 0.02 0.00 0.00 176.35 176.77 2cr8 n ARG 35 N -0.97 0.13 -3.87 1.70 1.74 -1.23 -4.91 116.66 109.26 2cr8 n ARG 35 Ca 0.10 0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.91 2cr8 n ARG 35 Cb 0.47 -1.56 -0.12 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.55 2.23 0.34 5.56 2.20 -1.26 -5.09 119.74 124.27 2cr8 s LYS 36 Ca 0.93 -2.67 -0.27 0.00 -0.36 0.00 0.00 55.97 53.60 2cr8 s LYS 36 Cb -1.27 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 31.49 2cr8 s LYS 36 CO 0.60 -1.15 1.05 0.34 -0.36 0.00 0.00 175.35 175.83 2cr8 s ASP 37 N -0.09 7.06 0.13 1.43 2.15 -1.26 -5.06 116.67 121.03 2cr8 s ASP 37 Ca 0.18 2.09 -0.02 0.00 0.43 0.00 0.00 52.55 55.23 2cr8 s ASP 37 Cb -0.22 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.76 2cr8 s ASP 37 CO -0.02 -0.28 0.08 0.26 -0.17 0.00 0.00 175.17 175.04 2cr8 s TRP 38 N -1.45 0.80 -0.96 -5.34 0.23 -1.26 -5.10 118.94 105.86 2cr8 s TRP 38 Ca 0.51 -1.18 -0.17 0.00 -2.03 0.00 0.00 56.10 53.23 2cr8 s TRP 38 Cb -0.25 -0.43 0.15 0.00 0.03 0.00 0.00 33.47 32.96 2cr8 s TRP 38 CO 0.32 -0.53 1.14 0.71 0.96 0.00 0.00 176.95 179.54 2cr8 s TYR 39 N -4.04 3.25 -0.16 -1.98 2.02 -1.26 -4.82 117.35 110.37 2cr8 s TYR 39 Ca 0.23 -1.58 -0.27 0.00 -0.37 0.00 0.00 57.07 55.08 2cr8 s TYR 39 Cb 0.07 -4.24 -0.24 0.00 -0.40 0.00 0.00 41.96 37.15 2cr8 s TYR 39 CO 0.01 -1.42 0.63 1.03 -1.57 0.00 0.00 175.55 174.23 2cr8 h SER 40 N 8.46 0.00 -3.89 2.29 0.87 -2.02 -3.42 113.55 115.83 2cr8 h SER 40 Ca 0.18 -0.87 -0.51 0.00 -1.23 0.00 0.00 61.79 59.36 2cr8 h SER 40 Cb 1.00 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.01 2cr8 h SER 40 CO 1.09 1.11 0.53 -1.81 -0.53 0.00 0.00 176.83 177.22 2cr8 s ASP 41 N -6.35 6.79 -1.11 6.23 1.01 -1.26 -3.25 116.67 118.72 2cr8 s ASP 41 Ca -0.21 2.42 -0.07 0.00 0.71 0.00 0.00 52.55 55.39 2cr8 s ASP 41 Cb -0.01 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.30 2cr8 s ASP 41 CO 0.66 -0.50 0.97 0.00 0.21 0.00 0.00 175.17 176.51 2cr8 s SER 43 N -3.27 5.56 -0.57 0.00 1.04 -1.20 -4.95 113.70 110.31 2cr8 s SER 43 Ca 0.48 1.84 -0.02 0.00 0.48 0.00 0.00 55.95 58.73 2cr8 s SER 43 Cb -0.21 -2.53 0.36 0.00 0.10 0.00 0.00 66.02 63.73 2cr8 s SER 43 CO 0.60 -1.32 2.07 0.29 0.98 0.00 0.00 173.24 175.85 2cr8 n LYS 44 N -2.27 2.43 -3.98 4.02 5.02 -1.26 -4.84 118.16 117.27 2cr8 n LYS 44 Ca 0.09 -2.77 -0.30 0.00 -2.02 0.00 0.00 58.31 53.31 2cr8 n LYS 44 Cb 0.53 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 2cr8 n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2cr8 n LEU 45 N -0.44 -2.32 -4.29 -0.35 4.77 -1.26 -4.93 117.00 108.18 2cr8 n LEU 45 Ca 0.52 -0.89 -0.41 0.00 -0.03 0.00 0.00 56.01 55.20 2cr8 n LEU 45 Cb 0.60 -2.38 -0.09 0.00 -2.33 0.00 0.00 43.42 39.22 2cr8 n LEU 45 CO 0.64 0.41 -0.05 0.28 -1.33 0.00 0.00 177.39 177.33 2cr8 s THR 46 N -3.46 4.49 -0.21 -5.08 -1.32 -1.26 -5.02 115.64 103.78 2cr8 s THR 46 Ca 0.49 -1.39 -0.33 0.00 -1.21 0.00 0.00 61.69 59.25 2cr8 s THR 46 Cb -0.26 -3.77 0.15 0.00 -1.51 0.00 0.00 72.50 67.12 2cr8 s THR 46 CO 0.87 -0.58 1.20 -2.28 -2.21 0.00 0.00 174.62 171.62 2cr8 s HIS 47 N 1.47 -0.15 0.40 9.09 5.04 -1.26 -5.15 115.29 124.72 2cr8 s HIS 47 Ca 0.04 0.17 0.08 0.00 -1.54 0.00 0.00 55.06 53.80 2cr8 s HIS 47 Cb -0.24 0.50 -0.06 0.00 0.04 0.00 0.00 32.58 32.81 2cr8 s HIS 47 CO 0.03 -0.19 0.07 -1.54 -2.34 0.00 0.00 174.74 170.77 2cr8 s SER 48 N -1.72 4.14 0.00 9.88 1.04 -1.26 -5.08 113.70 120.70 2cr8 s SER 48 Ca 0.07 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.32 2cr8 s SER 48 Cb -0.01 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.66 2cr8 s SER 48 CO -0.05 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2cr8 n GLY 49 N -1.07 0.24 3.60 7.32 0.00 -1.26 -4.88 105.19 109.15 2cr8 n GLY 49 Ca -0.03 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.51 3.47 -0.00 1.61 0.04 -1.26 -4.98 135.00 131.37 2cr8 s PRO 50 Ca 0.00 1.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 2cr8 s PRO 50 Cb 0.00 -4.13 -0.00 0.00 0.04 0.00 0.00 34.50 30.40 2cr8 s PRO 50 CO 0.00 -1.70 0.07 -1.54 0.04 0.00 0.00 177.00 173.87 2cr8 s SER 51 N 5.30 0.05 0.00 6.66 1.04 -1.26 -5.05 113.70 120.44 2cr8 s SER 51 Ca 0.75 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2cr8 s SER 51 Cb -0.21 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2cr8 s SER 51 CO 0.33 -0.24 0.00 -0.24 0.98 0.00 0.00 173.24 174.07 2cr8 n SER 52 N 2.02 0.07 0.00 7.02 2.88 -1.26 -5.21 113.62 119.14 2cr8 n SER 52 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2cr8 n SER 52 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2cr8 n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42