#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 5.46 -0.32 1.61 1.04 -1.26 -4.95 113.70 115.27 2cr8 s SER 2 Ca 0.00 1.23 -0.07 0.00 0.48 0.00 0.00 55.95 57.59 2cr8 s SER 2 Cb 0.00 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.63 2cr8 s SER 2 CO 0.00 -2.07 0.10 -0.44 0.98 0.00 0.00 173.24 171.81 2cr8 s SER 3 N 7.89 5.25 -0.21 7.02 0.01 -1.26 -5.08 113.70 127.32 2cr8 s SER 3 Ca 0.85 -1.00 -0.06 0.00 1.31 0.00 0.00 55.95 57.05 2cr8 s SER 3 Cb -0.22 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 2cr8 s SER 3 CO 0.30 -0.28 0.02 -0.83 0.41 0.00 0.00 173.24 172.86 2cr8 s GLY 4 N 1.43 1.74 0.21 3.44 0.00 -1.26 -4.99 107.32 107.89 2cr8 s GLY 4 Ca -0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 43.64 2cr8 s GLY 4 CO 0.03 0.27 1.73 1.76 0.00 0.00 0.00 173.10 176.89 2cr8 h SER 5 N 7.54 0.17 -3.64 1.64 0.02 -2.03 -3.40 113.55 113.85 2cr8 h SER 5 Ca -0.36 0.09 -0.51 0.00 -0.84 0.00 0.00 61.79 60.17 2cr8 h SER 5 Cb 1.18 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 2cr8 h SER 5 CO 0.61 0.10 0.43 -0.55 -1.14 0.00 0.00 176.83 176.28 2cr8 s SER 6 N -5.36 7.39 0.00 3.07 0.15 -1.26 -4.68 113.70 113.01 2cr8 s SER 6 Ca -0.13 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.55 2cr8 s SER 6 Cb 0.17 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2cr8 s SER 6 CO 0.74 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.70 2cr8 n GLY 7 N 1.84 0.39 2.91 9.45 0.00 -1.26 -5.11 105.19 113.42 2cr8 n GLY 7 Ca 0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.37 0.38 1.61 0.01 -1.26 -5.13 113.70 109.67 2cr8 s SER 8 Ca 0.00 0.40 -0.19 0.00 1.31 0.00 0.00 55.95 57.46 2cr8 s SER 8 Cb 0.00 0.35 -0.14 0.00 0.21 0.00 0.00 66.02 66.44 2cr8 s SER 8 CO 0.00 -0.21 0.07 -0.62 0.41 0.00 0.00 173.24 172.89 2cr8 n GLU 9 N 4.96 0.00 -3.86 12.44 1.02 -1.26 -4.92 120.64 129.02 2cr8 n GLU 9 Ca -0.12 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.69 2cr8 n GLU 9 Cb 0.51 -0.92 -0.12 0.00 -0.02 0.00 0.00 31.44 30.88 2cr8 n GLU 9 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2cr8 s ASP 10 N -0.92 4.68 0.46 1.62 -4.77 -1.26 -5.09 116.67 111.38 2cr8 s ASP 10 Ca 0.55 -3.00 -0.18 0.00 -3.30 0.00 0.00 52.55 46.61 2cr8 s ASP 10 Cb -0.58 -1.72 -0.09 0.00 -1.09 0.00 0.00 42.92 39.43 2cr8 s ASP 10 CO 0.58 -0.27 0.95 -1.61 0.70 0.00 0.00 175.17 175.51 2cr8 s GLU 11 N -0.28 4.09 -0.14 2.11 2.02 -1.26 -4.42 118.70 120.81 2cr8 s GLU 11 Ca 0.17 1.00 -0.13 0.00 0.02 0.00 0.00 54.97 56.04 2cr8 s GLU 11 Cb -0.23 -2.18 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 2cr8 s GLU 11 CO -0.02 -0.12 0.28 1.67 0.02 0.00 0.00 175.26 177.10 2cr8 s TRP 12 N -2.36 3.49 0.40 1.61 1.48 -1.01 -4.90 118.94 117.66 2cr8 s TRP 12 Ca 0.60 0.61 -0.20 0.00 -1.06 0.00 0.00 56.10 56.05 2cr8 s TRP 12 Cb -0.09 -2.30 -0.10 0.00 -1.16 0.00 0.00 33.47 29.81 2cr8 s TRP 12 CO 0.21 0.31 0.90 -1.14 -4.06 0.00 0.00 176.95 173.18 2cr8 s GLN 13 N 0.21 4.20 0.63 3.25 0.74 -1.26 -2.77 119.66 124.66 2cr8 s GLN 13 Ca 0.17 1.03 -0.03 0.00 0.05 0.00 0.00 55.36 56.58 2cr8 s GLN 13 Cb -0.13 -2.28 0.05 0.00 1.10 0.00 0.00 33.01 31.74 2cr8 s GLN 13 CO 0.04 0.03 0.90 0.00 -0.55 0.00 0.00 175.29 175.72 2cr8 n THR 15 N -2.65 0.83 0.01 0.00 -2.24 -1.26 -3.66 114.28 105.30 2cr8 n THR 15 Ca 0.08 -0.47 -0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2cr8 n THR 15 Cb 0.60 -0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 68.06 2cr8 n THR 15 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2cr8 h GLU 16 N 0.00 -0.07 0.00 -0.78 4.39 -1.96 -3.38 114.58 112.78 2cr8 h GLU 16 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2cr8 h GLU 16 Cb 1.69 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 2cr8 h GLU 16 CO 0.00 -0.05 -0.87 0.00 -1.16 0.00 0.00 179.01 176.93 2cr8 n LYS 18 N -2.69 -5.47 -2.04 0.00 4.76 -1.24 -4.99 118.16 106.48 2cr8 n LYS 18 Ca 0.01 0.61 -0.11 0.00 -2.87 0.00 0.00 58.31 55.95 2cr8 n LYS 18 Cb 0.54 -4.97 0.04 0.00 -1.84 0.00 0.00 35.03 28.80 2cr8 n LYS 18 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2cr8 n LYS 19 N -3.61 0.68 -4.02 1.97 4.76 -1.26 -4.63 118.16 112.05 2cr8 n LYS 19 Ca -0.08 -1.72 -0.31 0.00 -2.87 0.00 0.00 58.31 53.34 2cr8 n LYS 19 Cb 0.57 -0.17 -0.16 0.00 -1.84 0.00 0.00 35.03 33.43 2cr8 n LYS 19 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2cr8 s PHE 20 N -1.12 2.54 0.32 2.13 0.08 -1.26 -1.01 117.98 119.66 2cr8 s PHE 20 Ca 0.35 -1.65 0.10 0.00 0.12 0.00 0.00 56.93 55.85 2cr8 s PHE 20 Cb -0.03 -1.70 -0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2cr8 s PHE 20 CO 0.22 -0.76 -0.09 -0.80 -0.10 0.00 0.00 175.22 173.69 2cr8 s ASN 21 N 1.36 3.87 0.65 1.36 0.01 -1.12 -4.98 114.94 116.09 2cr8 s ASN 21 Ca -0.01 -1.06 -0.18 0.00 -0.71 0.00 0.00 52.86 50.91 2cr8 s ASN 21 Cb -0.16 -0.42 -0.01 0.00 0.41 0.00 0.00 41.25 41.07 2cr8 s ASN 21 CO -0.09 -0.13 1.24 -1.20 -1.51 0.00 0.00 177.10 175.41 2cr8 n SER 22 N -0.80 1.85 0.00 -1.22 7.64 -1.26 -2.40 113.62 117.43 2cr8 n SER 22 Ca -0.05 0.82 0.05 0.00 1.01 0.00 0.00 58.87 60.70 2cr8 n SER 22 Cb 0.62 -1.53 0.32 0.00 -1.01 0.00 0.00 64.21 62.61 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 -1.82 0.49 -0.09 1.43 -0.04 -1.26 -3.28 135.00 130.42 2cr8 n PRO 23 Ca 0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 2cr8 n PRO 23 Cb 0.48 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.85 1.90 -4.26 3.54 7.64 -1.26 -4.99 113.62 115.34 2cr8 n SER 24 Ca 0.08 0.42 -0.34 0.00 1.01 0.00 0.00 58.87 60.04 2cr8 n SER 24 Cb 0.04 -0.80 0.10 0.00 -1.01 0.00 0.00 64.21 62.53 2cr8 n SER 24 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cr8 n LYS 25 N -4.47 -0.36 0.00 1.43 4.76 -1.21 -4.98 118.16 113.34 2cr8 n LYS 25 Ca -0.20 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 2cr8 n LYS 25 Cb 0.52 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 2cr8 n LYS 25 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2cr8 n ARG 26 N -0.36 0.00 -3.09 1.97 1.74 -1.26 -4.95 116.66 110.70 2cr8 n ARG 26 Ca 0.03 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.67 2cr8 n ARG 26 Cb 0.57 -0.49 -0.05 0.00 -1.02 0.00 0.00 32.46 31.46 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 -1.97 2.98 -0.37 -1.55 1.51 -1.26 -3.48 117.35 113.21 2cr8 s TYR 27 Ca 0.00 -0.59 -0.33 0.00 -1.01 0.00 0.00 57.07 55.14 2cr8 s TYR 27 Cb 0.00 -3.76 -0.14 0.00 -0.11 0.00 0.00 41.96 37.95 2cr8 s TYR 27 CO 0.00 -1.17 1.47 0.00 -1.11 0.00 0.00 175.55 174.74 2cr8 n PHE 29 N 4.82 0.59 0.00 0.00 -1.74 -1.26 -0.90 117.46 118.96 2cr8 n PHE 29 Ca 0.36 -1.11 0.00 0.00 -0.56 0.00 0.00 57.45 56.14 2cr8 n PHE 29 Cb -0.03 -0.55 0.00 0.00 1.52 0.00 0.00 39.48 40.41 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 0.69 0.21 0.00 3.97 5.12 -1.26 -4.89 116.66 120.50 2cr8 n ARG 30 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2cr8 n ARG 30 Cb 0.61 -0.67 0.00 0.00 -1.16 0.00 0.00 32.46 31.24 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 -0.21 -2.26 -3.65 0.00 8.01 -0.08 -5.00 117.44 114.25 2cr8 n TRP 32 Ca 0.00 0.92 -0.29 0.00 -1.31 0.00 0.00 57.50 56.81 2cr8 n TRP 32 Cb 0.07 -4.82 -0.13 0.00 -2.01 0.00 0.00 31.31 24.42 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 -3.37 1.70 0.44 6.99 0.00 -1.25 -4.92 121.76 121.34 2cr8 s ALA 33 Ca 0.13 -2.19 -0.18 0.00 0.00 0.00 0.00 51.96 49.72 2cr8 s ALA 33 Cb -0.02 -1.75 -0.14 0.00 0.00 0.00 0.00 23.12 21.21 2cr8 s ALA 33 CO 0.73 -1.98 -0.05 -0.11 0.00 0.00 0.00 175.76 174.36 2cr8 n LEU 34 N 3.98 -3.20 -4.65 0.00 7.94 -1.26 -4.16 117.00 115.65 2cr8 n LEU 34 Ca 0.07 0.67 -0.29 0.00 -1.11 0.00 0.00 56.01 55.35 2cr8 n LEU 34 Cb 0.37 -0.81 0.19 0.00 0.53 0.00 0.00 43.42 43.70 2cr8 n LEU 34 CO 0.19 -4.33 0.63 0.00 -1.11 0.00 0.00 177.39 172.76 2cr8 s ARG 35 N -0.94 0.02 -0.00 1.96 1.70 -1.23 -4.91 118.95 115.54 2cr8 s ARG 35 Ca 0.55 0.41 -0.00 0.00 -0.47 0.00 0.00 55.73 56.22 2cr8 s ARG 35 Cb -0.52 -1.70 -0.00 0.00 -0.57 0.00 0.00 34.95 32.16 2cr8 s ARG 35 CO 0.61 -2.98 -0.00 1.63 -1.08 0.00 0.00 175.30 173.48 2cr8 n LYS 36 N -4.33 0.00 -1.37 3.89 5.02 -1.26 -5.04 118.16 115.07 2cr8 n LYS 36 Ca 0.06 0.00 -0.53 0.00 -2.02 0.00 0.00 58.31 55.82 2cr8 n LYS 36 Cb 0.58 -0.81 -0.08 0.00 -0.02 0.00 0.00 35.03 34.70 2cr8 n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2cr8 n ASP 37 N -2.70 0.43 -4.53 4.39 9.92 -1.26 -4.83 116.55 117.97 2cr8 n ASP 37 Ca -0.00 1.00 -0.43 0.00 -0.53 0.00 0.00 54.79 54.82 2cr8 n ASP 37 Cb 0.50 -0.77 -0.04 0.00 -0.64 0.00 0.00 41.12 40.17 2cr8 n ASP 37 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2cr8 s TRP 38 N 1.07 2.84 0.06 1.24 0.52 -1.26 -4.92 118.94 118.48 2cr8 s TRP 38 Ca 0.82 0.03 -0.25 0.00 0.02 0.00 0.00 56.10 56.72 2cr8 s TRP 38 Cb -1.16 -4.01 -0.17 0.00 -1.15 0.00 0.00 33.47 26.99 2cr8 s TRP 38 CO 0.57 -1.28 1.59 -0.92 0.02 0.00 0.00 176.95 176.94 2cr8 h TYR 39 N 9.24 -0.09 -3.47 -1.98 5.03 -1.92 -3.40 116.97 120.39 2cr8 h TYR 39 Ca -0.26 -0.00 -0.56 0.00 2.58 0.00 0.00 58.73 60.49 2cr8 h TYR 39 Cb 1.08 0.03 0.18 0.00 1.55 0.00 0.00 36.73 39.57 2cr8 h TYR 39 CO 0.89 0.07 -0.19 0.45 -1.32 0.00 0.00 178.16 178.06 2cr8 n SER 40 N -5.07 -0.52 -4.28 -2.11 2.88 -1.26 -2.26 113.62 101.01 2cr8 n SER 40 Ca -0.08 0.61 -0.35 0.00 -1.33 0.00 0.00 58.87 57.72 2cr8 n SER 40 Cb 0.12 -1.30 -0.08 0.00 -0.75 0.00 0.00 64.21 62.20 2cr8 n SER 40 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2cr8 n ASP 41 N -0.98 -0.44 -3.72 -3.46 9.92 -1.26 -4.89 116.55 111.71 2cr8 n ASP 41 Ca 0.11 -1.18 -0.12 0.00 -0.53 0.00 0.00 54.79 53.06 2cr8 n ASP 41 Cb 0.50 -1.49 -0.10 0.00 -0.64 0.00 0.00 41.12 39.38 2cr8 n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cr8 s SER 43 N 0.59 -0.41 0.16 0.00 0.15 -1.26 -4.94 113.70 107.99 2cr8 s SER 43 Ca -0.03 0.93 -0.30 0.00 0.70 0.00 0.00 55.95 57.25 2cr8 s SER 43 Cb -0.05 0.98 -0.07 0.00 -1.71 0.00 0.00 66.02 65.18 2cr8 s SER 43 CO -0.04 -0.21 0.99 -0.54 1.20 0.00 0.00 173.24 174.64 2cr8 s LYS 44 N 1.85 4.72 -0.10 5.44 -0.14 -1.26 -5.03 119.74 125.22 2cr8 s LYS 44 Ca -0.07 1.53 -0.17 0.00 -1.36 0.00 0.00 55.97 55.90 2cr8 s LYS 44 Cb -0.10 -3.32 -0.05 0.00 -1.68 0.00 0.00 37.83 32.68 2cr8 s LYS 44 CO -0.13 0.27 0.43 -0.51 -0.76 0.00 0.00 175.35 174.65 2cr8 s LEU 45 N -0.44 4.31 0.18 3.17 1.43 -1.26 -5.07 118.68 121.00 2cr8 s LEU 45 Ca 0.46 0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.28 2cr8 s LEU 45 Cb -0.25 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2cr8 s LEU 45 CO 0.32 0.09 0.26 0.42 0.23 0.00 0.00 176.35 177.67 2cr8 s THR 46 N 0.23 0.05 -0.62 5.49 -4.23 -1.26 -5.05 115.64 110.24 2cr8 s THR 46 Ca 0.24 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 59.18 2cr8 s THR 46 Cb -0.15 -2.03 0.39 0.00 1.34 0.00 0.00 72.50 72.05 2cr8 s THR 46 CO 0.10 -0.22 2.06 1.57 -0.54 0.00 0.00 174.62 177.58 2cr8 n HIS 47 N -0.24 2.88 -3.60 3.99 -0.00 -1.26 -4.89 115.22 112.10 2cr8 n HIS 47 Ca -0.05 -2.76 -0.15 0.00 0.46 0.00 0.00 57.72 55.23 2cr8 n HIS 47 Cb 0.63 -1.35 -0.07 0.00 -0.12 0.00 0.00 29.99 29.09 2cr8 n HIS 47 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2cr8 s SER 48 N -1.35 -0.70 -0.49 0.26 1.04 -1.26 -5.11 113.70 106.09 2cr8 s SER 48 Ca 0.58 1.19 -0.46 0.00 0.48 0.00 0.00 55.95 57.74 2cr8 s SER 48 Cb 0.45 1.16 -0.20 0.00 0.10 0.00 0.00 66.02 67.53 2cr8 s SER 48 CO -0.06 -0.35 1.62 0.61 0.98 0.00 0.00 173.24 176.04 2cr8 n GLY 49 N 2.16 0.16 3.75 7.32 0.00 -1.26 -4.85 105.19 112.47 2cr8 n GLY 49 Ca -0.16 1.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.46 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 3.20 4.43 -1.33 1.61 0.04 -1.26 -3.28 135.00 138.41 2cr8 s PRO 50 Ca 1.05 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 64.08 2cr8 s PRO 50 Cb -1.48 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 29.92 2cr8 s PRO 50 CO 0.79 -0.13 1.06 0.43 0.04 0.00 0.00 177.00 179.19 2cr8 n SER 51 N 1.73 -4.40 -4.61 6.66 7.64 -1.26 -4.90 113.62 114.48 2cr8 n SER 51 Ca 0.03 -0.62 -0.43 0.00 1.01 0.00 0.00 58.87 58.86 2cr8 n SER 51 Cb 0.43 -4.85 -0.02 0.00 -1.01 0.00 0.00 64.21 58.76 2cr8 n SER 51 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cr8 s SER 52 N -3.74 6.39 0.00 6.43 0.01 -1.21 -5.19 113.70 116.41 2cr8 s SER 52 Ca 0.36 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.66 2cr8 s SER 52 Cb -0.16 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2cr8 s SER 52 CO 0.75 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 173.66