#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr8 h SER 2 N 0.00 -0.88 0.00 1.61 0.87 -2.07 -3.39 113.55 109.70 2cr8 h SER 2 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2cr8 h SER 2 Cb 0.00 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2cr8 h SER 2 CO 0.00 -0.49 -0.59 -0.24 -0.53 0.00 0.00 176.83 174.98 2cr8 n SER 3 N -5.45 1.31 0.00 6.23 2.88 -1.26 -4.98 113.62 112.34 2cr8 n SER 3 Ca -0.10 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2cr8 n SER 3 Cb 0.35 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 1.53 1.80 0.03 0.46 0.00 -1.26 -4.57 105.19 103.17 2cr8 n GLY 4 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 2.52 0.64 -4.77 1.61 7.64 -1.26 -4.68 113.62 115.32 2cr8 n SER 5 Ca 0.00 0.31 -0.40 0.00 1.01 0.00 0.00 58.87 59.79 2cr8 n SER 5 Cb 0.00 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 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 -4.38 6.80 0.00 6.43 0.01 -1.26 -2.68 113.70 118.61 2cr8 s SER 6 Ca -0.06 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.74 2cr8 s SER 6 Cb 0.01 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2cr8 s SER 6 CO 0.10 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2cr8 n GLY 7 N 0.84 2.75 0.15 3.44 0.00 -1.26 -4.76 105.19 106.36 2cr8 n GLY 7 Ca 0.01 -0.66 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 2cr8 n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cr8 h SER 8 N 0.00 -0.26 -3.35 1.61 0.02 -1.83 -3.42 113.55 106.32 2cr8 h SER 8 Ca 0.00 0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 60.29 2cr8 h SER 8 Cb 0.00 0.07 -0.17 0.00 0.14 0.00 0.00 62.40 62.44 2cr8 h SER 8 CO 0.00 0.13 0.11 -1.61 -1.14 0.00 0.00 176.83 174.31 2cr8 s GLU 9 N -2.56 3.18 -0.17 3.45 8.01 -1.09 -5.04 118.70 124.48 2cr8 s GLU 9 Ca -0.05 -0.68 -0.09 0.00 0.01 0.00 0.00 54.97 54.16 2cr8 s GLU 9 Cb 0.00 -4.05 -0.05 0.00 -4.31 0.00 0.00 34.13 25.73 2cr8 s GLU 9 CO 0.14 -1.17 0.13 0.34 0.01 0.00 0.00 175.26 174.70 2cr8 s ASP 10 N 2.48 6.24 0.41 -0.19 2.15 -1.26 -4.73 116.67 121.76 2cr8 s ASP 10 Ca 0.18 0.31 -0.07 0.00 0.43 0.00 0.00 52.55 53.41 2cr8 s ASP 10 Cb -0.17 -2.07 -0.05 0.00 -0.30 0.00 0.00 42.92 40.33 2cr8 s ASP 10 CO 0.15 0.27 0.72 -1.61 -0.17 0.00 0.00 175.17 174.53 2cr8 s GLU 11 N -0.19 3.65 -0.03 4.34 2.02 -1.26 -4.54 118.70 122.69 2cr8 s GLU 11 Ca 0.11 0.24 -0.18 0.00 0.02 0.00 0.00 54.97 55.15 2cr8 s GLU 11 Cb -0.11 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.62 2cr8 s GLU 11 CO 0.00 -0.04 0.50 1.67 0.02 0.00 0.00 175.26 177.41 2cr8 s TRP 12 N -2.45 3.66 0.37 1.61 1.48 -0.34 -4.83 118.94 118.44 2cr8 s TRP 12 Ca 0.48 1.05 -0.16 0.00 -1.06 0.00 0.00 56.10 56.41 2cr8 s TRP 12 Cb -0.10 -2.48 -0.09 0.00 -1.16 0.00 0.00 33.47 29.63 2cr8 s TRP 12 CO 0.36 0.41 0.80 -1.14 -4.06 0.00 0.00 176.95 173.32 2cr8 s GLN 13 N -0.30 4.03 -0.17 3.25 2.00 -1.26 -2.31 119.66 124.90 2cr8 s GLN 13 Ca 0.27 0.77 -0.03 0.00 -2.00 0.00 0.00 55.36 54.36 2cr8 s GLN 13 Cb -0.17 -2.35 -0.02 0.00 0.80 0.00 0.00 33.01 31.27 2cr8 s GLN 13 CO 0.14 0.07 -0.04 0.00 -0.50 0.00 0.00 175.29 174.95 2cr8 n THR 15 N 3.78 1.73 0.00 0.00 -2.24 -1.26 -1.07 114.28 115.21 2cr8 n THR 15 Ca -0.17 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2cr8 n THR 15 Cb 0.52 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 0.09 0.00 0.00 -0.78 -0.58 -1.26 -4.91 120.64 113.21 2cr8 n GLU 16 Ca 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 2cr8 n GLU 16 Cb 0.82 -0.48 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 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 -1.22 -5.70 -4.06 0.00 4.76 -0.24 -5.01 118.16 106.69 2cr8 n LYS 18 Ca 0.00 0.68 -0.33 0.00 -2.87 0.00 0.00 58.31 55.78 2cr8 n LYS 18 Cb 0.00 -5.21 -0.15 0.00 -1.84 0.00 0.00 35.03 27.83 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 -5.42 2.95 0.05 1.97 2.47 -1.26 -4.84 119.74 115.65 2cr8 s LYS 19 Ca 0.16 -0.87 -0.30 0.00 -1.56 0.00 0.00 55.97 53.40 2cr8 s LYS 19 Cb -0.07 -2.72 -0.09 0.00 -1.46 0.00 0.00 37.83 33.49 2cr8 s LYS 19 CO 0.59 -0.27 1.89 -0.06 0.16 0.00 0.00 175.35 177.66 2cr8 s PHE 20 N 1.30 1.57 0.11 4.03 0.08 -1.26 -4.14 117.98 119.68 2cr8 s PHE 20 Ca 0.03 -0.27 0.06 0.00 0.12 0.00 0.00 56.93 56.87 2cr8 s PHE 20 Cb -0.14 -4.19 -0.04 0.00 -0.57 0.00 0.00 43.02 38.09 2cr8 s PHE 20 CO -0.10 -5.18 -0.16 -0.80 -0.10 0.00 0.00 175.22 168.89 2cr8 s ASN 21 N 3.89 2.11 0.43 1.36 0.01 -0.98 -4.94 114.94 116.81 2cr8 s ASN 21 Ca 0.85 -0.75 -0.24 0.00 -0.71 0.00 0.00 52.86 52.00 2cr8 s ASN 21 Cb -0.42 -0.09 -0.11 0.00 0.41 0.00 0.00 41.25 41.05 2cr8 s ASN 21 CO 0.39 -0.08 0.95 -1.20 -1.51 0.00 0.00 177.10 175.64 2cr8 n SER 22 N 0.76 0.96 -0.08 -1.22 7.64 -1.26 -1.19 113.62 119.22 2cr8 n SER 22 Ca -0.17 1.01 -0.13 0.00 1.01 0.00 0.00 58.87 60.59 2cr8 n SER 22 Cb 0.56 -1.32 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 2cr8 n SER 22 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2cr8 h PRO 23 N 1.40 0.58 -0.93 1.43 0.13 -1.93 -3.22 132.00 129.45 2cr8 h PRO 23 Ca -0.44 -0.31 0.27 0.00 -0.87 0.00 0.00 66.00 64.65 2cr8 h PRO 23 Cb 1.35 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.32 2cr8 h PRO 23 CO 0.56 0.90 0.16 1.03 -0.23 0.00 0.00 178.00 180.42 2cr8 h SER 24 N 0.28 -0.20 -3.32 1.44 0.87 -1.95 -3.37 113.55 107.30 2cr8 h SER 24 Ca 0.04 0.24 -0.56 0.00 -1.23 0.00 0.00 61.79 60.28 2cr8 h SER 24 Cb 0.80 0.37 -0.05 0.00 -0.44 0.00 0.00 62.40 63.08 2cr8 h SER 24 CO 0.06 -0.28 0.02 -0.54 -0.53 0.00 0.00 176.83 175.56 2cr8 s LYS 25 N -5.93 4.33 -0.19 2.24 -0.14 -1.22 -4.99 119.74 113.85 2cr8 s LYS 25 Ca -0.12 0.81 -0.19 0.00 -1.36 0.00 0.00 55.97 55.11 2cr8 s LYS 25 Cb 0.28 -3.31 -0.21 0.00 -1.68 0.00 0.00 37.83 32.91 2cr8 s LYS 25 CO 0.77 0.45 0.28 0.07 -0.76 0.00 0.00 175.35 176.16 2cr8 h ARG 26 N 5.24 0.06 -7.24 1.68 0.11 -1.84 -3.45 114.38 108.94 2cr8 h ARG 26 Ca -0.46 -0.10 -0.53 0.00 0.10 0.00 0.00 59.98 58.99 2cr8 h ARG 26 Cb 1.21 0.04 0.18 0.00 1.11 0.00 0.00 29.97 32.50 2cr8 h ARG 26 CO 0.68 1.05 0.30 0.71 0.10 0.00 0.00 179.97 182.80 2cr8 s TYR 27 N -2.39 1.84 -0.30 4.08 1.51 -1.26 -2.67 117.35 118.16 2cr8 s TYR 27 Ca -0.27 1.71 -0.13 0.00 -1.01 0.00 0.00 57.07 57.37 2cr8 s TYR 27 Cb 0.06 -3.38 -0.04 0.00 -0.11 0.00 0.00 41.96 38.49 2cr8 s TYR 27 CO 0.63 -2.69 0.26 0.00 -1.11 0.00 0.00 175.55 172.65 2cr8 n PHE 29 N 5.17 0.65 0.00 0.00 7.35 -1.26 -1.34 117.46 128.04 2cr8 n PHE 29 Ca -0.12 -0.86 0.00 0.00 -0.76 0.00 0.00 57.45 55.71 2cr8 n PHE 29 Cb 0.51 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.91 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 0.25 0.03 -0.71 -4.13 0.00 -1.26 -4.89 116.66 105.96 2cr8 n ARG 30 Ca 0.13 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 58.02 2cr8 n ARG 30 Cb 0.72 -0.63 0.07 0.00 0.00 0.00 0.00 32.46 32.63 2cr8 n ARG 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cr8 n TRP 32 N -0.34 -0.90 -3.99 0.00 8.01 -0.45 -4.88 117.44 114.90 2cr8 n TRP 32 Ca 0.08 0.45 -0.31 0.00 -1.31 0.00 0.00 57.50 56.41 2cr8 n TRP 32 Cb 0.81 -1.89 -0.15 0.00 -2.01 0.00 0.00 31.31 28.07 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 -3.73 2.17 0.94 6.99 0.00 -1.25 -4.85 121.76 122.02 2cr8 s ALA 33 Ca 0.12 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.44 2cr8 s ALA 33 Cb -0.07 -1.48 -0.08 0.00 0.00 0.00 0.00 23.12 21.49 2cr8 s ALA 33 CO 0.73 -1.17 -0.29 1.28 0.00 0.00 0.00 175.76 176.31 2cr8 n LEU 34 N 4.59 -3.58 -4.93 0.00 4.32 -1.26 -3.13 117.00 113.01 2cr8 n LEU 34 Ca -0.13 0.28 -0.25 0.00 -0.02 0.00 0.00 56.01 55.89 2cr8 n LEU 34 Cb 0.43 -0.94 -0.01 0.00 -1.62 0.00 0.00 43.42 41.28 2cr8 n LEU 34 CO 0.19 -5.01 0.21 0.00 -1.22 0.00 0.00 177.39 171.56 2cr8 s ARG 35 N -2.52 3.51 -0.12 3.23 1.04 -1.09 -4.82 118.95 118.18 2cr8 s ARG 35 Ca 0.48 -0.22 -0.10 0.00 -1.04 0.00 0.00 55.73 54.85 2cr8 s ARG 35 Cb -0.22 -2.63 -0.05 0.00 -2.04 0.00 0.00 34.95 30.01 2cr8 s ARG 35 CO 0.75 0.11 -0.22 1.63 -0.04 0.00 0.00 175.30 177.54 2cr8 n LYS 36 N -1.72 0.34 -1.65 3.89 5.02 -1.26 -4.98 118.16 117.81 2cr8 n LYS 36 Ca -0.04 0.14 -0.63 0.00 -2.02 0.00 0.00 58.31 55.77 2cr8 n LYS 36 Cb 0.56 -1.09 -0.09 0.00 -0.02 0.00 0.00 35.03 34.38 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 -3.94 1.55 -0.07 4.39 9.92 -1.26 -4.82 116.55 122.31 2cr8 n ASP 37 Ca -0.20 1.04 -0.14 0.00 -0.53 0.00 0.00 54.79 54.96 2cr8 n ASP 37 Cb 0.52 -0.98 -0.06 0.00 -0.64 0.00 0.00 41.12 39.96 2cr8 n ASP 37 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 2cr8 n TRP 38 N 5.26 0.00 -3.89 1.24 2.14 -1.26 -5.00 117.44 115.93 2cr8 n TRP 38 Ca 0.34 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.70 2cr8 n TRP 38 Cb 0.01 -0.53 -0.02 0.00 -0.81 0.00 0.00 31.31 29.96 2cr8 n TRP 38 CO 0.00 0.00 0.00 -0.47 2.07 0.00 0.00 177.69 179.29 2cr8 s TYR 39 N -2.27 3.27 -0.87 -2.67 5.04 -1.26 -4.56 117.35 114.03 2cr8 s TYR 39 Ca -0.20 -0.10 -0.05 0.00 -2.44 0.00 0.00 57.07 54.28 2cr8 s TYR 39 Cb 0.07 -1.63 0.01 0.00 0.35 0.00 0.00 41.96 40.75 2cr8 s TYR 39 CO 0.28 0.35 0.76 0.43 -1.34 0.00 0.00 175.55 176.03 2cr8 n SER 40 N -1.40 -4.36 -2.47 4.32 7.64 -1.26 -4.95 113.62 111.13 2cr8 n SER 40 Ca -0.06 -0.36 -0.29 0.00 1.01 0.00 0.00 58.87 59.16 2cr8 n SER 40 Cb 0.58 -3.48 0.01 0.00 -1.01 0.00 0.00 64.21 60.31 2cr8 n SER 40 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2cr8 n ASP 41 N -1.63 5.29 -3.47 6.43 5.75 -1.26 -4.89 116.55 122.77 2cr8 n ASP 41 Ca -0.03 -3.75 -0.21 0.00 -0.01 0.00 0.00 54.79 50.79 2cr8 n ASP 41 Cb 0.55 -0.56 0.08 0.00 -1.03 0.00 0.00 41.12 40.17 2cr8 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cr8 s SER 43 N -3.65 -0.36 -0.29 0.00 0.15 -1.26 -5.07 113.70 103.22 2cr8 s SER 43 Ca 0.38 0.47 -0.02 0.00 0.70 0.00 0.00 55.95 57.49 2cr8 s SER 43 Cb -0.17 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.59 2cr8 s SER 43 CO 0.71 -0.27 -0.01 -0.54 1.20 0.00 0.00 173.24 174.33 2cr8 s LYS 44 N -0.78 2.47 -0.31 5.44 1.02 -1.26 -4.50 119.74 121.83 2cr8 s LYS 44 Ca 0.00 -1.23 0.14 0.00 0.02 0.00 0.00 55.97 54.90 2cr8 s LYS 44 Cb -0.02 -3.15 0.47 0.00 -0.52 0.00 0.00 37.83 34.62 2cr8 s LYS 44 CO -0.01 -0.59 1.11 1.28 -0.92 0.00 0.00 175.35 176.22 2cr8 n LEU 45 N 4.62 3.15 -0.26 3.17 4.77 -1.26 -4.90 117.00 126.29 2cr8 n LEU 45 Ca -0.14 -4.03 0.05 0.00 -0.03 0.00 0.00 56.01 51.86 2cr8 n LEU 45 Cb 0.44 0.06 0.16 0.00 -2.33 0.00 0.00 43.42 41.74 2cr8 n LEU 45 CO 0.26 1.65 0.82 0.74 -1.33 0.00 0.00 177.39 179.53 2cr8 h THR 46 N 3.60 0.33 -3.66 -5.08 2.02 -2.04 -3.31 112.91 104.77 2cr8 h THR 46 Ca 0.10 -0.03 -0.68 0.00 0.77 0.00 0.00 66.41 66.58 2cr8 h THR 46 Cb 1.30 0.22 -0.37 0.00 -1.74 0.00 0.00 68.15 67.56 2cr8 h THR 46 CO 0.52 0.02 -0.68 -1.38 0.37 0.00 0.00 175.52 174.38 2cr8 s HIS 47 N -6.12 3.57 0.03 3.16 0.00 -1.26 -5.08 115.29 109.59 2cr8 s HIS 47 Ca -0.13 -2.56 -0.03 0.00 -3.00 0.00 0.00 55.06 49.33 2cr8 s HIS 47 Cb 0.22 -2.76 -0.02 0.00 -4.00 0.00 0.00 32.58 26.02 2cr8 s HIS 47 CO 0.75 -0.93 0.04 -1.12 -1.00 0.00 0.00 174.74 172.49 2cr8 s SER 48 N 1.26 0.24 0.00 7.38 0.01 -1.25 -5.15 113.70 116.20 2cr8 s SER 48 Ca 0.05 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2cr8 s SER 48 Cb -0.20 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2cr8 s SER 48 CO -0.05 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2cr8 n GLY 49 N 0.93 3.72 0.00 3.44 0.00 -1.26 -4.86 105.19 107.16 2cr8 n GLY 49 Ca -0.20 -1.67 0.05 0.00 0.00 0.00 0.00 46.02 44.20 2cr8 n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cr8 n PRO 50 N -1.86 0.49 -2.82 1.61 -0.04 -1.26 -4.81 135.00 126.31 2cr8 n PRO 50 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2cr8 n PRO 50 Cb 0.00 -1.32 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 2cr8 n PRO 50 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cr8 n SER 51 N -0.82 -3.30 -0.35 3.54 2.88 -1.26 -4.93 113.62 109.39 2cr8 n SER 51 Ca 0.08 -0.16 0.04 0.00 -1.33 0.00 0.00 58.87 57.50 2cr8 n SER 51 Cb 0.03 -1.84 0.12 0.00 -0.75 0.00 0.00 64.21 61.77 2cr8 n SER 51 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2cr8 h SER 52 N -0.80 -0.97 0.00 -3.46 0.02 -1.97 -3.56 113.55 102.81 2cr8 h SER 52 Ca -0.17 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2cr8 h SER 52 Cb 1.11 0.62 0.00 0.00 0.14 0.00 0.00 62.40 64.27 2cr8 h SER 52 CO 0.17 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.15