#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 -0.28 -0.21 1.61 0.15 -1.26 -5.09 113.70 108.62 2cr8 s SER 2 Ca 0.00 -0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.30 2cr8 s SER 2 Cb 0.00 0.47 -0.09 0.00 -1.71 0.00 0.00 66.02 64.69 2cr8 s SER 2 CO 0.00 -0.83 -0.29 -0.24 1.20 0.00 0.00 173.24 173.09 2cr8 n SER 3 N -0.38 1.61 -4.49 5.45 2.88 -1.26 -4.77 113.62 112.66 2cr8 n SER 3 Ca -0.08 0.28 -0.40 0.00 -1.33 0.00 0.00 58.87 57.34 2cr8 n SER 3 Cb 0.61 -0.66 -0.01 0.00 -0.75 0.00 0.00 64.21 63.40 2cr8 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cr8 n GLY 4 N 1.64 2.41 3.17 0.46 0.00 -1.26 -4.91 105.19 106.69 2cr8 n GLY 4 Ca -0.39 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 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 4.63 1.96 -0.73 1.61 0.01 -1.26 -5.09 113.70 114.82 2cr8 s SER 5 Ca 0.56 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.49 2cr8 s SER 5 Cb 0.04 -0.19 0.18 0.00 0.21 0.00 0.00 66.02 66.26 2cr8 s SER 5 CO 0.08 0.15 0.53 -0.55 0.41 0.00 0.00 173.24 173.87 2cr8 s SER 6 N -0.71 5.01 0.25 2.44 0.15 -1.26 -5.08 113.70 114.50 2cr8 s SER 6 Ca 0.05 -3.83 0.00 0.00 0.70 0.00 0.00 55.95 52.88 2cr8 s SER 6 Cb -0.07 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 2cr8 s SER 6 CO 0.00 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2cr8 n GLY 7 N 2.04 1.06 2.96 9.45 0.00 -1.26 -4.09 105.19 115.34 2cr8 n GLY 7 Ca 0.20 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.00 4.37 -0.53 1.61 0.01 -1.26 -5.06 113.70 108.83 2cr8 s SER 8 Ca 0.00 -2.93 -0.28 0.00 1.31 0.00 0.00 55.95 54.05 2cr8 s SER 8 Cb 0.00 -1.64 0.02 0.00 0.21 0.00 0.00 66.02 64.61 2cr8 s SER 8 CO 0.00 -0.25 1.31 -1.61 0.41 0.00 0.00 173.24 173.10 2cr8 s GLU 9 N -0.17 3.47 -0.60 12.44 2.02 -1.26 -4.97 118.70 129.63 2cr8 s GLU 9 Ca 0.16 0.48 -0.25 0.00 0.02 0.00 0.00 54.97 55.38 2cr8 s GLU 9 Cb -0.25 -4.05 0.04 0.00 0.10 0.00 0.00 34.13 29.98 2cr8 s GLU 9 CO -0.01 -1.73 1.03 0.34 0.02 0.00 0.00 175.26 174.91 2cr8 s ASP 10 N 3.62 6.30 0.50 -0.19 2.15 -1.26 -5.02 116.67 122.77 2cr8 s ASP 10 Ca 0.50 -0.42 -0.20 0.00 0.43 0.00 0.00 52.55 52.86 2cr8 s ASP 10 Cb -0.10 -2.47 -0.08 0.00 -0.30 0.00 0.00 42.92 39.98 2cr8 s ASP 10 CO 0.27 -1.39 1.05 -1.61 -0.17 0.00 0.00 175.17 173.32 2cr8 s GLU 11 N 4.36 3.72 0.29 4.34 2.02 -1.26 -4.53 118.70 127.64 2cr8 s GLU 11 Ca 0.31 1.37 -0.04 0.00 0.02 0.00 0.00 54.97 56.63 2cr8 s GLU 11 Cb -0.12 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 2cr8 s GLU 11 CO 0.18 -0.50 0.54 1.67 0.02 0.00 0.00 175.26 177.17 2cr8 s TRP 12 N -2.00 3.48 0.06 1.61 1.48 -0.25 -4.86 118.94 118.45 2cr8 s TRP 12 Ca 0.67 0.59 0.01 0.00 -1.06 0.00 0.00 56.10 56.31 2cr8 s TRP 12 Cb -0.17 -2.06 -0.04 0.00 -1.16 0.00 0.00 33.47 30.04 2cr8 s TRP 12 CO 0.22 0.18 0.16 -1.14 -4.06 0.00 0.00 176.95 172.31 2cr8 s GLN 13 N -3.60 3.25 0.53 3.25 0.74 -1.26 -1.72 119.66 120.84 2cr8 s GLN 13 Ca 0.43 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 55.30 2cr8 s GLN 13 Cb -0.11 -2.94 0.01 0.00 1.10 0.00 0.00 33.01 31.07 2cr8 s GLN 13 CO 0.31 0.60 0.79 0.00 -0.55 0.00 0.00 175.29 176.44 2cr8 n THR 15 N -2.35 0.30 -0.01 0.00 -2.24 -1.26 -3.57 114.28 105.15 2cr8 n THR 15 Ca 0.03 -0.47 -0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2cr8 n THR 15 Cb 0.58 -0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.00 0.00 -0.78 4.39 -1.97 -3.40 114.58 112.82 2cr8 h GLU 16 Ca -0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2cr8 h GLU 16 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2cr8 h GLU 16 CO 0.01 0.00 -0.39 0.00 -1.16 0.00 0.00 179.01 177.47 2cr8 n LYS 18 N -2.14 -6.93 -1.93 0.00 4.01 -1.23 -4.98 118.16 104.95 2cr8 n LYS 18 Ca 0.04 0.78 -0.10 0.00 -0.51 0.00 0.00 58.31 58.53 2cr8 n LYS 18 Cb 0.43 -5.75 0.04 0.00 -0.51 0.00 0.00 35.03 29.23 2cr8 n LYS 18 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2cr8 n LYS 19 N -4.63 0.74 -4.08 1.97 4.76 -1.26 -4.67 118.16 110.98 2cr8 n LYS 19 Ca -0.11 -1.53 -0.33 0.00 -2.87 0.00 0.00 58.31 53.48 2cr8 n LYS 19 Cb 0.60 -0.14 -0.16 0.00 -1.84 0.00 0.00 35.03 33.49 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 -0.85 2.89 0.30 2.13 0.08 -1.26 -1.69 117.98 119.57 2cr8 s PHE 20 Ca 0.30 -1.67 0.04 0.00 0.12 0.00 0.00 56.93 55.73 2cr8 s PHE 20 Cb -0.02 -1.95 -0.06 0.00 -0.57 0.00 0.00 43.02 40.42 2cr8 s PHE 20 CO 0.19 -0.79 0.02 -0.80 -0.10 0.00 0.00 175.22 173.74 2cr8 s ASN 21 N 1.28 2.37 0.49 1.36 0.01 -0.70 -4.98 114.94 114.78 2cr8 s ASN 21 Ca 0.03 -1.30 -0.22 0.00 -0.71 0.00 0.00 52.86 50.66 2cr8 s ASN 21 Cb -0.14 -0.09 -0.07 0.00 0.41 0.00 0.00 41.25 41.36 2cr8 s ASN 21 CO -0.10 -0.53 1.13 -0.44 -1.51 0.00 0.00 177.10 175.66 2cr8 s SER 22 N -3.44 6.06 0.00 -1.22 0.01 -1.26 -1.09 113.70 112.75 2cr8 s SER 22 Ca 0.33 2.21 0.11 0.00 1.31 0.00 0.00 55.95 59.92 2cr8 s SER 22 Cb 0.07 -2.59 0.68 0.00 0.21 0.00 0.00 66.02 64.39 2cr8 s SER 22 CO 0.13 -0.99 1.11 -0.81 0.41 0.00 0.00 173.24 173.10 2cr8 n PRO 23 N -0.79 0.49 -0.12 12.44 -0.04 -1.26 -3.00 135.00 142.72 2cr8 n PRO 23 Ca 0.09 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.29 2cr8 n PRO 23 Cb 0.50 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.86 1.91 -4.57 3.54 7.64 -1.26 -4.82 113.62 115.20 2cr8 n SER 24 Ca 0.09 0.37 -0.40 0.00 1.01 0.00 0.00 58.87 59.94 2cr8 n SER 24 Cb 0.04 -0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 62.32 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 -2.43 2.86 0.14 1.43 -0.14 -1.16 -4.86 119.74 115.57 2cr8 s LYS 25 Ca -0.33 0.82 -0.18 0.00 -1.36 0.00 0.00 55.97 54.92 2cr8 s LYS 25 Cb 0.10 -4.32 -0.01 0.00 -1.68 0.00 0.00 37.83 31.93 2cr8 s LYS 25 CO 0.55 -2.45 1.75 0.07 -0.76 0.00 0.00 175.35 174.52 2cr8 h ARG 26 N 14.17 0.22 -6.82 1.68 0.11 -1.87 -3.43 114.38 118.45 2cr8 h ARG 26 Ca -0.28 -0.01 -0.48 0.00 0.10 0.00 0.00 59.98 59.31 2cr8 h ARG 26 Cb 1.16 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.16 2cr8 h ARG 26 CO 1.17 0.15 0.19 0.71 0.10 0.00 0.00 179.97 182.29 2cr8 s TYR 27 N -6.17 3.42 -0.41 4.08 2.02 -1.26 -3.31 117.35 115.72 2cr8 s TYR 27 Ca -0.13 1.41 -0.29 0.00 -0.37 0.00 0.00 57.07 57.69 2cr8 s TYR 27 Cb 0.10 -2.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.01 2cr8 s TYR 27 CO 0.70 0.08 1.11 0.00 -1.57 0.00 0.00 175.55 175.87 2cr8 n PHE 29 N 7.46 0.00 -0.10 0.00 7.35 -1.26 0.22 117.46 131.12 2cr8 n PHE 29 Ca 0.12 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.62 2cr8 n PHE 29 Cb 0.48 -0.05 -0.12 0.00 0.35 0.00 0.00 39.48 40.14 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 -1.05 0.68 -0.84 -4.13 5.12 -1.26 -4.63 116.66 110.55 2cr8 n ARG 30 Ca 0.11 0.17 0.04 0.00 -1.93 0.00 0.00 57.85 56.25 2cr8 n ARG 30 Cb 0.06 -1.56 0.07 0.00 -1.16 0.00 0.00 32.46 29.88 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 -0.26 -0.84 -2.71 0.00 8.01 0.58 -4.86 117.44 117.35 2cr8 n TRP 32 Ca 0.09 0.49 -0.23 0.00 -1.31 0.00 0.00 57.50 56.53 2cr8 n TRP 32 Cb 0.86 -1.44 0.03 0.00 -2.01 0.00 0.00 31.31 28.75 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 -2.83 3.65 0.38 6.99 0.00 -1.19 -4.75 121.76 124.01 2cr8 s ALA 33 Ca 0.51 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 2cr8 s ALA 33 Cb -0.30 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 2cr8 s ALA 33 CO 0.74 -0.63 0.66 -1.17 0.00 0.00 0.00 175.76 175.36 2cr8 s LEU 34 N -4.75 3.87 0.18 0.00 2.96 -1.26 -0.81 118.68 118.87 2cr8 s LEU 34 Ca 0.53 0.80 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 2cr8 s LEU 34 Cb -0.10 -3.68 0.06 0.00 0.50 0.00 0.00 46.19 42.97 2cr8 s LEU 34 CO 0.40 -0.37 1.43 -0.09 -1.32 0.00 0.00 176.35 176.40 2cr8 h ARG 35 N 0.96 0.37 -5.86 1.98 9.65 -1.94 -3.45 114.38 116.08 2cr8 h ARG 35 Ca -0.48 -0.31 -0.38 0.00 -1.10 0.00 0.00 59.98 57.71 2cr8 h ARG 35 Cb 1.20 0.07 0.12 0.00 -1.39 0.00 0.00 29.97 29.96 2cr8 h ARG 35 CO 0.63 0.95 -0.76 1.63 2.80 0.00 0.00 179.97 185.23 2cr8 n LYS 36 N -3.82 -6.56 -2.64 0.20 5.02 -1.26 -4.93 118.16 104.17 2cr8 n LYS 36 Ca -0.04 0.77 -0.43 0.00 -2.02 0.00 0.00 58.31 56.59 2cr8 n LYS 36 Cb 0.71 -5.70 -0.02 0.00 -0.02 0.00 0.00 35.03 30.00 2cr8 n LYS 36 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2cr8 s ASP 37 N -3.96 7.10 0.14 4.39 -4.77 -1.26 -4.97 116.67 113.33 2cr8 s ASP 37 Ca 0.23 1.42 -0.35 0.00 -3.30 0.00 0.00 52.55 50.56 2cr8 s ASP 37 Cb -0.11 -2.54 -0.15 0.00 -1.09 0.00 0.00 42.92 39.03 2cr8 s ASP 37 CO 0.76 -0.66 1.49 1.87 0.70 0.00 0.00 175.17 179.33 2cr8 n TRP 38 N 6.25 2.02 -3.98 2.11 -0.00 -1.26 -4.96 117.44 117.62 2cr8 n TRP 38 Ca 0.12 0.39 -0.11 0.00 -0.00 0.00 0.00 57.50 57.90 2cr8 n TRP 38 Cb 0.46 -2.47 -0.03 0.00 -0.00 0.00 0.00 31.31 29.27 2cr8 n TRP 38 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 177.69 177.22 2cr8 s TYR 39 N 0.74 0.51 -0.23 5.87 5.04 -1.26 -5.11 117.35 122.91 2cr8 s TYR 39 Ca 0.80 -0.90 -0.35 0.00 -2.44 0.00 0.00 57.07 54.18 2cr8 s TYR 39 Cb -0.77 0.27 -0.11 0.00 0.35 0.00 0.00 41.96 41.70 2cr8 s TYR 39 CO 0.41 -1.18 2.02 -1.13 -1.34 0.00 0.00 175.55 174.33 2cr8 n SER 40 N -0.94 2.78 -0.08 4.32 3.41 -1.26 -4.82 113.62 117.03 2cr8 n SER 40 Ca -0.02 0.69 -0.14 0.00 -0.26 0.00 0.00 58.87 59.14 2cr8 n SER 40 Cb 0.61 -1.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.18 2cr8 n SER 40 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2cr8 n ASP 41 N 8.27 2.14 -2.15 4.04 -0.08 -1.26 -4.71 116.55 122.79 2cr8 n ASP 41 Ca 0.31 0.03 -0.23 0.00 -1.51 0.00 0.00 54.79 53.39 2cr8 n ASP 41 Cb 0.26 -0.35 0.02 0.00 2.34 0.00 0.00 41.12 43.39 2cr8 n ASP 41 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2cr8 n SER 43 N -0.66 -0.80 0.13 0.00 3.41 -1.26 -4.80 113.62 109.64 2cr8 n SER 43 Ca 0.41 0.97 0.04 0.00 -0.26 0.00 0.00 58.87 60.02 2cr8 n SER 43 Cb 0.90 -0.80 0.45 0.00 -0.26 0.00 0.00 64.21 64.50 2cr8 n SER 43 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2cr8 h LYS 44 N 1.27 0.23 -7.19 4.33 5.09 -2.02 -3.44 116.57 114.83 2cr8 h LYS 44 Ca -0.29 -0.04 -0.53 0.00 0.09 0.00 0.00 60.65 59.88 2cr8 h LYS 44 Cb 1.22 -0.04 0.19 0.00 0.10 0.00 0.00 32.23 33.70 2cr8 h LYS 44 CO 0.50 0.29 0.27 -0.11 -2.09 0.00 0.00 179.45 178.31 2cr8 n LEU 45 N -4.36 4.02 -3.99 7.07 7.94 -1.26 -3.23 117.00 123.19 2cr8 n LEU 45 Ca -0.01 0.55 -0.26 0.00 -1.11 0.00 0.00 56.01 55.18 2cr8 n LEU 45 Cb 0.20 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.63 2cr8 n LEU 45 CO 0.37 -1.86 -0.26 0.35 -1.11 0.00 0.00 177.39 174.87 2cr8 n THR 46 N -3.47 -2.91 -2.61 1.96 -2.24 -1.26 -4.83 114.28 98.93 2cr8 n THR 46 Ca 0.13 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 2cr8 n THR 46 Cb 0.51 -2.51 -0.01 0.00 -2.10 0.00 0.00 70.33 66.22 2cr8 n THR 46 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2cr8 s HIS 47 N -3.99 2.74 -0.24 4.78 -3.43 -1.20 -4.86 115.29 109.08 2cr8 s HIS 47 Ca 0.02 -1.34 -0.29 0.00 -0.80 0.00 0.00 55.06 52.65 2cr8 s HIS 47 Cb -0.01 -4.69 0.16 0.00 -1.43 0.00 0.00 32.58 26.61 2cr8 s HIS 47 CO 0.90 -1.83 1.21 0.45 -2.00 0.00 0.00 174.74 173.47 2cr8 s SER 48 N 4.42 -0.19 0.00 7.38 0.15 -1.26 -5.18 113.70 119.02 2cr8 s SER 48 Ca 0.49 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2cr8 s SER 48 Cb 0.02 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2cr8 s SER 48 CO -0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2cr8 n GLY 49 N 0.73 1.25 3.67 9.45 0.00 -1.26 -5.02 105.19 114.01 2cr8 n GLY 49 Ca -0.05 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 2.29 4.23 -0.62 1.61 0.04 -1.26 -4.98 135.00 136.32 2cr8 s PRO 50 Ca 0.00 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 2cr8 s PRO 50 Cb 0.00 -3.74 0.16 0.00 0.04 0.00 0.00 34.50 30.96 2cr8 s PRO 50 CO 0.00 -0.70 0.44 0.45 0.04 0.00 0.00 177.00 177.23 2cr8 s SER 51 N 2.41 5.36 -1.57 6.66 0.15 -1.26 -4.77 113.70 120.68 2cr8 s SER 51 Ca 0.66 -2.75 -0.17 0.00 0.70 0.00 0.00 55.95 54.40 2cr8 s SER 51 Cb -0.31 -1.88 0.17 0.00 -1.71 0.00 0.00 66.02 62.28 2cr8 s SER 51 CO 0.26 -0.41 0.41 -1.54 1.20 0.00 0.00 173.24 173.17 2cr8 n SER 52 N 3.65 -1.10 0.00 5.45 3.41 -1.26 -5.33 113.62 118.44 2cr8 n SER 52 Ca 0.07 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 2cr8 n SER 52 Cb 0.39 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 2cr8 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49