#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 7.49 -4.45 1.61 7.64 -1.26 -4.79 113.62 119.86 2cr8 n SER 2 Ca 0.00 -3.69 -0.33 0.00 1.01 0.00 0.00 58.87 55.86 2cr8 n SER 2 Cb 0.00 -1.02 -0.13 0.00 -1.01 0.00 0.00 64.21 62.06 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 -1.37 4.55 1.75 6.43 0.01 -1.26 -4.97 113.70 118.84 2cr8 s SER 3 Ca 0.58 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2cr8 s SER 3 Cb 0.46 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.96 2cr8 s SER 3 CO -0.09 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2cr8 n GLY 4 N 3.58 2.36 3.58 3.44 0.00 -1.26 -4.61 105.19 112.28 2cr8 n GLY 4 Ca -0.18 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.00 4.67 0.20 1.61 0.01 -1.26 -5.02 113.70 109.91 2cr8 s SER 5 Ca 0.00 -0.02 -0.19 0.00 1.31 0.00 0.00 55.95 57.05 2cr8 s SER 5 Cb 0.00 -1.22 0.17 0.00 0.21 0.00 0.00 66.02 65.18 2cr8 s SER 5 CO 0.00 0.35 1.58 0.77 0.41 0.00 0.00 173.24 176.36 2cr8 h SER 6 N 5.34 -1.12 0.00 2.44 4.64 -1.87 -3.45 113.55 119.54 2cr8 h SER 6 Ca -0.48 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2cr8 h SER 6 Cb 1.18 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 2cr8 h SER 6 CO 0.53 -0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 2cr8 n GLY 7 N -1.45 2.00 3.31 -0.77 0.00 -1.26 -4.92 105.19 102.09 2cr8 n GLY 7 Ca 0.06 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2cr8 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cr8 s SER 8 N 0.00 4.47 -0.07 1.61 0.15 -1.26 -5.10 113.70 113.50 2cr8 s SER 8 Ca 0.00 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.16 2cr8 s SER 8 Cb 0.00 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 2cr8 s SER 8 CO 0.00 -0.06 -0.10 -0.70 1.20 0.00 0.00 173.24 173.58 2cr8 s GLU 9 N 1.47 2.77 -0.26 5.44 2.12 -1.26 -5.08 118.70 123.90 2cr8 s GLU 9 Ca 0.05 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 2cr8 s GLU 9 Cb -0.15 -2.54 -0.01 0.00 0.26 0.00 0.00 34.13 31.69 2cr8 s GLU 9 CO -0.02 0.59 1.36 -0.51 -0.54 0.00 0.00 175.26 176.13 2cr8 s ASP 10 N -0.62 6.66 0.26 -1.70 1.01 -1.26 -5.01 116.67 116.02 2cr8 s ASP 10 Ca 0.09 1.38 0.10 0.00 0.71 0.00 0.00 52.55 54.83 2cr8 s ASP 10 Cb -0.11 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 2cr8 s ASP 10 CO 0.02 -1.06 -0.09 -1.61 0.21 0.00 0.00 175.17 172.64 2cr8 s GLU 11 N 4.15 2.04 -0.14 8.23 2.02 -1.26 -3.99 118.70 129.74 2cr8 s GLU 11 Ca 0.59 -1.53 -0.05 0.00 0.02 0.00 0.00 54.97 54.00 2cr8 s GLU 11 Cb -0.19 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 2cr8 s GLU 11 CO 0.23 0.36 0.03 1.67 0.02 0.00 0.00 175.26 177.57 2cr8 s TRP 12 N -2.32 3.21 0.50 1.61 1.48 -0.91 -4.84 118.94 117.68 2cr8 s TRP 12 Ca 0.30 0.08 -0.17 0.00 -1.06 0.00 0.00 56.10 55.25 2cr8 s TRP 12 Cb -0.06 -1.96 -0.08 0.00 -1.16 0.00 0.00 33.47 30.20 2cr8 s TRP 12 CO 0.18 0.26 0.98 -1.14 -4.06 0.00 0.00 176.95 173.17 2cr8 s GLN 13 N -0.11 3.99 0.49 3.25 0.74 -1.26 -0.94 119.66 125.81 2cr8 s GLN 13 Ca 0.06 0.99 0.04 0.00 0.05 0.00 0.00 55.36 56.50 2cr8 s GLN 13 Cb -0.12 -2.14 0.02 0.00 1.10 0.00 0.00 33.01 31.87 2cr8 s GLN 13 CO 0.02 -0.23 0.68 0.00 -0.55 0.00 0.00 175.29 175.20 2cr8 n THR 15 N -2.11 0.77 -0.04 0.00 -2.24 -1.26 -3.72 114.28 105.69 2cr8 n THR 15 Ca 0.07 -0.46 -0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2cr8 n THR 15 Cb 0.59 -0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 5.08 -1.96 -3.39 114.58 113.53 2cr8 h GLU 16 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2cr8 h GLU 16 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2cr8 h GLU 16 CO 0.01 0.00 -0.90 0.00 -1.00 0.00 0.00 179.01 177.12 2cr8 n LYS 18 N -2.60 -6.14 -3.90 0.00 4.76 -1.24 -4.98 118.16 104.06 2cr8 n LYS 18 Ca 0.01 0.84 -0.28 0.00 -2.87 0.00 0.00 58.31 56.01 2cr8 n LYS 18 Cb 0.53 -5.83 -0.17 0.00 -1.84 0.00 0.00 35.03 27.72 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 -5.30 1.47 0.51 1.97 2.47 -1.26 -4.68 119.74 114.91 2cr8 s LYS 19 Ca 0.04 -0.44 -0.19 0.00 -1.56 0.00 0.00 55.97 53.82 2cr8 s LYS 19 Cb -0.01 -1.89 -0.11 0.00 -1.46 0.00 0.00 37.83 34.36 2cr8 s LYS 19 CO 0.73 -0.38 0.42 1.19 0.16 0.00 0.00 175.35 177.47 2cr8 n PHE 20 N 4.89 -1.02 -4.13 4.03 3.01 -1.26 -3.84 117.46 119.15 2cr8 n PHE 20 Ca -0.12 0.50 -0.11 0.00 1.01 0.00 0.00 57.45 58.73 2cr8 n PHE 20 Cb 0.48 -1.92 -0.09 0.00 -0.01 0.00 0.00 39.48 37.95 2cr8 n PHE 20 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2cr8 s ASN 21 N -1.07 0.11 0.30 4.37 0.01 -0.12 -4.93 114.94 113.62 2cr8 s ASN 21 Ca 0.65 -1.23 -0.29 0.00 -0.71 0.00 0.00 52.86 51.28 2cr8 s ASN 21 Cb -0.51 0.42 -0.13 0.00 0.41 0.00 0.00 41.25 41.44 2cr8 s ASN 21 CO 0.58 -0.89 1.30 -1.20 -1.51 0.00 0.00 177.10 175.37 2cr8 n SER 22 N -0.27 2.60 0.00 -1.22 7.64 -1.26 -2.15 113.62 118.96 2cr8 n SER 22 Ca -0.01 1.18 0.06 0.00 1.01 0.00 0.00 58.87 61.11 2cr8 n SER 22 Cb 0.65 -1.44 0.33 0.00 -1.01 0.00 0.00 64.21 62.73 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 1.07 0.48 -0.09 1.43 -0.04 -1.26 -3.26 135.00 133.33 2cr8 n PRO 23 Ca 0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 2cr8 n PRO 23 Cb 0.34 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 1.74 -4.69 3.54 7.64 -1.26 -4.96 113.62 114.78 2cr8 n SER 24 Ca 0.08 0.29 -0.44 0.00 1.01 0.00 0.00 58.87 59.82 2cr8 n SER 24 Cb 0.04 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.52 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 -4.20 2.62 -0.02 1.43 5.02 -1.20 -4.91 118.16 116.90 2cr8 n LYS 25 Ca -0.27 0.95 -0.13 0.00 -2.02 0.00 0.00 58.31 56.84 2cr8 n LYS 25 Cb 0.61 -2.82 -0.10 0.00 -0.02 0.00 0.00 35.03 32.69 2cr8 n LYS 25 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2cr8 h ARG 26 N 8.24 0.00 -7.48 1.97 2.43 -1.93 -3.45 114.38 114.17 2cr8 h ARG 26 Ca -0.46 -0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.24 2cr8 h ARG 26 Cb 1.23 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 30.88 2cr8 h ARG 26 CO 0.94 0.59 0.31 0.71 -1.51 0.00 0.00 179.97 181.01 2cr8 s TYR 27 N -3.87 2.71 -0.15 2.20 1.51 -1.26 -3.85 117.35 114.64 2cr8 s TYR 27 Ca -0.16 0.51 -0.19 0.00 -1.01 0.00 0.00 57.07 56.22 2cr8 s TYR 27 Cb 0.01 -3.41 -0.04 0.00 -0.11 0.00 0.00 41.96 38.41 2cr8 s TYR 27 CO 0.68 -1.71 0.52 0.00 -1.11 0.00 0.00 175.55 173.93 2cr8 n PHE 29 N 4.21 0.14 0.00 0.00 7.35 -1.26 -0.36 117.46 127.55 2cr8 n PHE 29 Ca -0.05 -0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 2cr8 n PHE 29 Cb 0.51 -0.11 0.00 0.00 0.35 0.00 0.00 39.48 40.23 2cr8 n PHE 29 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2cr8 n ARG 30 N -0.00 0.65 -0.98 -4.13 0.63 -1.26 -4.86 116.66 106.70 2cr8 n ARG 30 Ca 0.02 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.99 2cr8 n ARG 30 Cb 0.28 -0.80 0.06 0.00 0.45 0.00 0.00 32.46 32.46 2cr8 n ARG 30 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cr8 n TRP 32 N -0.07 -0.74 -1.47 0.00 8.01 0.52 -4.84 117.44 118.85 2cr8 n TRP 32 Ca 0.08 0.36 -0.14 0.00 -1.31 0.00 0.00 57.50 56.48 2cr8 n TRP 32 Cb 0.92 -1.03 0.10 0.00 -2.01 0.00 0.00 31.31 29.29 2cr8 n TRP 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2cr8 n ALA 33 N -2.45 -0.74 -2.48 6.99 0.00 -1.25 -4.65 120.51 115.92 2cr8 n ALA 33 Ca 0.06 -0.86 -0.25 0.00 0.00 0.00 0.00 53.44 52.39 2cr8 n ALA 33 Cb 0.27 -0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.57 2cr8 n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cr8 s LEU 34 N 0.00 2.61 -0.06 0.00 2.01 -1.26 -2.33 118.68 119.65 2cr8 s LEU 34 Ca 0.37 -0.91 -0.02 0.00 0.01 0.00 0.00 54.13 53.58 2cr8 s LEU 34 Cb -0.01 -1.22 -0.06 0.00 0.01 0.00 0.00 46.19 44.92 2cr8 s LEU 34 CO 0.26 0.07 2.54 0.54 1.01 0.00 0.00 176.35 180.77 2cr8 n ARG 35 N -0.28 1.47 -3.66 1.70 1.74 -1.25 -4.79 116.66 111.59 2cr8 n ARG 35 Ca -0.08 -0.61 -0.39 0.00 -0.77 0.00 0.00 57.85 56.00 2cr8 n ARG 35 Cb 0.58 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.01 2.50 -0.45 5.56 2.20 -1.26 -4.95 119.74 123.35 2cr8 s LYS 36 Ca 0.27 -1.47 0.04 0.00 -0.36 0.00 0.00 55.97 54.44 2cr8 s LYS 36 Cb 0.15 -3.68 0.45 0.00 -1.51 0.00 0.00 37.83 33.23 2cr8 s LYS 36 CO -0.01 -0.92 1.50 -3.47 -0.36 0.00 0.00 175.35 172.08 2cr8 n ASP 37 N 4.84 5.93 -4.57 1.43 -0.08 -1.26 -4.97 116.55 117.86 2cr8 n ASP 37 Ca -0.09 -3.76 -0.46 0.00 -1.51 0.00 0.00 54.79 48.96 2cr8 n ASP 37 Cb 0.43 -0.59 -0.04 0.00 2.34 0.00 0.00 41.12 43.25 2cr8 n ASP 37 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 2cr8 n TRP 38 N -0.75 1.95 -2.88 -0.67 -0.00 -1.26 -4.91 117.44 108.92 2cr8 n TRP 38 Ca 0.50 -0.01 -0.42 0.00 -0.00 0.00 0.00 57.50 57.57 2cr8 n TRP 38 Cb 0.81 -2.67 -0.04 0.00 -0.00 0.00 0.00 31.31 29.40 2cr8 n TRP 38 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 177.69 179.21 2cr8 s TYR 39 N 7.16 3.16 -0.69 5.87 -0.85 -1.26 -5.00 117.35 125.74 2cr8 s TYR 39 Ca 1.01 0.82 -0.18 0.00 -0.52 0.00 0.00 57.07 58.21 2cr8 s TYR 39 Cb -0.54 -3.38 0.13 0.00 0.38 0.00 0.00 41.96 38.55 2cr8 s TYR 39 CO 0.42 -0.66 0.76 -1.12 -1.52 0.00 0.00 175.55 173.43 2cr8 s SER 40 N 1.70 6.37 -0.98 -0.18 0.01 -1.26 -4.99 113.70 114.37 2cr8 s SER 40 Ca 0.35 -1.83 -0.18 0.00 1.31 0.00 0.00 55.95 55.60 2cr8 s SER 40 Cb -0.13 -2.29 0.13 0.00 0.21 0.00 0.00 66.02 63.94 2cr8 s SER 40 CO 0.14 -0.97 1.20 -0.62 0.41 0.00 0.00 173.24 173.41 2cr8 s ASP 41 N 3.32 6.69 0.12 2.44 2.15 -1.26 -4.94 116.67 125.19 2cr8 s ASP 41 Ca 0.15 -2.15 -0.23 0.00 0.43 0.00 0.00 52.55 50.75 2cr8 s ASP 41 Cb -0.19 -2.41 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 2cr8 s ASP 41 CO 0.00 -1.05 0.57 0.00 -0.17 0.00 0.00 175.17 174.52 2cr8 h SER 43 N 2.25 0.28 -6.29 0.00 0.02 -2.02 -3.47 113.55 104.33 2cr8 h SER 43 Ca -0.33 -0.48 -0.47 0.00 -0.84 0.00 0.00 61.79 59.67 2cr8 h SER 43 Cb 1.27 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2cr8 h SER 43 CO 0.40 0.71 -0.77 1.17 -1.14 0.00 0.00 176.83 177.19 2cr8 n LYS 44 N -4.63 -5.37 -0.09 3.45 4.81 -1.26 -4.90 118.16 110.17 2cr8 n LYS 44 Ca -0.07 0.59 -0.12 0.00 -0.87 0.00 0.00 58.31 57.85 2cr8 n LYS 44 Cb 0.33 -5.42 -0.05 0.00 0.02 0.00 0.00 35.03 29.91 2cr8 n LYS 44 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2cr8 n LEU 45 N -4.62 1.86 -3.66 3.14 4.77 -1.26 -5.04 117.00 112.19 2cr8 n LEU 45 Ca -0.01 0.50 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 2cr8 n LEU 45 Cb 0.55 -0.86 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 2cr8 n LEU 45 CO 0.75 -0.16 0.28 0.28 -1.33 0.00 0.00 177.39 177.21 2cr8 s THR 46 N -2.42 0.00 -0.45 -5.08 -1.32 -1.26 -5.10 115.64 100.01 2cr8 s THR 46 Ca -0.23 -0.03 -0.27 0.00 -1.21 0.00 0.00 61.69 59.95 2cr8 s THR 46 Cb 0.05 -0.83 -0.05 0.00 -1.51 0.00 0.00 72.50 70.16 2cr8 s THR 46 CO 0.37 -0.02 2.15 -2.28 -2.21 0.00 0.00 174.62 172.64 2cr8 s HIS 47 N 0.04 1.34 0.01 9.09 2.46 -1.26 -4.72 115.29 122.24 2cr8 s HIS 47 Ca -0.02 1.06 -0.04 0.00 0.47 0.00 0.00 55.06 56.53 2cr8 s HIS 47 Cb -0.04 -3.84 -0.02 0.00 -0.13 0.00 0.00 32.58 28.55 2cr8 s HIS 47 CO 0.02 -2.82 -0.09 0.45 -2.47 0.00 0.00 174.74 169.84 2cr8 n SER 48 N 13.59 1.15 0.00 9.88 2.88 -1.26 -5.13 113.62 134.73 2cr8 n SER 48 Ca 0.30 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2cr8 n SER 48 Cb 0.51 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 2.91 1.50 3.77 0.46 0.00 -1.26 -5.12 105.19 107.45 2cr8 n GLY 49 Ca -0.06 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.28 2.81 -0.14 1.61 0.04 -1.26 -5.00 135.00 132.77 2cr8 s PRO 50 Ca 0.00 1.39 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 2cr8 s PRO 50 Cb 0.00 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 2cr8 s PRO 50 CO 0.00 -1.24 -0.15 -1.13 0.04 0.00 0.00 177.00 174.51 2cr8 n SER 51 N -2.40 1.95 -3.92 6.66 3.41 -1.26 -4.95 113.62 113.12 2cr8 n SER 51 Ca 0.10 0.06 -0.30 0.00 -0.26 0.00 0.00 58.87 58.47 2cr8 n SER 51 Cb 0.52 -0.32 -0.15 0.00 -0.26 0.00 0.00 64.21 63.99 2cr8 n SER 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cr8 s SER 52 N -5.82 4.02 0.00 4.04 0.01 -1.26 -5.37 113.70 109.31 2cr8 s SER 52 Ca -0.19 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 55.66 2cr8 s SER 52 Cb 0.06 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2cr8 s SER 52 CO 0.28 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.25