#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbh n GLN 2 N 0.00 -0.03 -4.39 -2.82 -0.06 -0.42 -4.84 117.38 104.82 2cbh n GLN 2 Ca 0.00 -2.29 -0.30 0.00 -2.00 0.00 0.00 57.00 52.41 2cbh n GLN 2 Cb 0.00 -0.58 -0.04 0.00 -4.06 0.00 0.00 30.24 25.56 2cbh n GLN 2 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2cbh n SER 3 N -2.94 3.19 -4.77 1.69 3.41 -1.26 -1.78 113.62 111.16 2cbh n SER 3 Ca 0.14 -3.11 -0.39 0.00 -0.26 0.00 0.00 58.87 55.25 2cbh n SER 3 Cb 0.50 0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.66 2cbh n SER 3 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2cbh s HIS 4 N -2.79 2.92 -1.86 7.33 2.46 -1.26 -1.77 115.29 120.32 2cbh s HIS 4 Ca 0.10 1.44 0.00 0.00 0.47 0.00 0.00 55.06 57.08 2cbh s HIS 4 Cb -0.01 -3.61 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 2cbh s HIS 4 CO 0.07 -1.87 0.00 0.66 -2.47 0.00 0.00 174.74 171.12 2cbh n TYR 5 N 0.26 -0.80 -3.74 3.88 4.01 0.26 -4.96 117.16 116.06 2cbh n TYR 5 Ca 0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.52 2cbh n TYR 5 Cb 0.44 -3.84 -0.03 0.00 -0.31 0.00 0.00 39.34 35.60 2cbh n TYR 5 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2cbh s GLY 6 N -2.20 1.61 -0.31 2.72 0.00 -0.73 -4.67 107.32 103.74 2cbh s GLY 6 Ca 0.00 -0.95 -0.23 0.00 0.00 0.00 0.00 44.72 43.54 2cbh s GLY 6 CO 0.00 -0.92 0.78 1.62 0.00 0.00 0.00 173.10 174.58 2cbh s GLN 7 N -3.57 3.95 -0.05 2.90 0.74 -1.26 0.14 119.66 122.51 2cbh s GLN 7 Ca 0.37 0.56 0.19 0.00 0.05 0.00 0.00 55.36 56.53 2cbh s GLN 7 Cb -0.10 -3.73 -0.29 0.00 1.10 0.00 0.00 33.01 29.99 2cbh s GLN 7 CO 0.30 -0.68 0.36 0.00 -0.55 0.00 0.00 175.29 174.72 2cbh n GLY 9 N 1.50 3.17 0.00 0.00 0.00 -1.12 -3.85 105.19 104.89 2cbh n GLY 9 Ca -0.08 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2cbh n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cbh n GLY 10 N 0.00 3.23 3.41 -0.02 0.00 -1.26 -1.32 105.19 109.23 2cbh n GLY 10 Ca 0.00 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 2cbh n GLY 10 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cbh n ILE 11 N 0.86 1.18 0.00 -0.61 5.41 -1.24 -1.25 119.36 123.71 2cbh n ILE 11 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.39 2cbh n ILE 11 Cb 0.00 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.30 2cbh n ILE 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cbh n GLY 12 N 1.78 3.00 3.82 7.39 0.00 -1.26 -4.75 105.19 115.16 2cbh n GLY 12 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2cbh n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2cbh s TYR 13 N -1.48 3.45 0.00 1.61 5.04 -0.38 -4.95 117.35 120.64 2cbh s TYR 13 Ca 0.00 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 2cbh s TYR 13 Cb 0.00 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.58 2cbh s TYR 13 CO 0.00 0.08 0.53 -1.13 -1.34 0.00 0.00 175.55 173.69 2cbh n SER 14 N -0.12 0.00 -3.34 4.32 3.41 -1.26 -4.95 113.62 111.68 2cbh n SER 14 Ca 0.04 -1.10 -0.15 0.00 -0.26 0.00 0.00 58.87 57.39 2cbh n SER 14 Cb 0.53 -0.02 0.09 0.00 -0.26 0.00 0.00 64.21 64.55 2cbh n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cbh n GLY 15 N 0.00 -0.26 3.77 5.00 0.00 -1.26 -5.05 105.19 107.39 2cbh n GLY 15 Ca 0.00 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 2cbh n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cbh s PRO 16 N -4.34 2.83 -0.08 1.61 0.04 -1.26 -4.96 135.00 128.83 2cbh s PRO 16 Ca 0.42 1.45 0.12 0.00 0.04 0.00 0.00 61.00 63.03 2cbh s PRO 16 Cb -0.02 -1.95 0.28 0.00 0.04 0.00 0.00 34.50 32.85 2cbh s PRO 16 CO 0.29 -1.24 1.20 0.25 0.04 0.00 0.00 177.00 177.54 2cbh n THR 17 N -2.27 1.58 -3.54 1.26 -2.24 -1.25 -4.55 114.28 103.26 2cbh n THR 17 Ca 0.11 -1.59 -0.40 0.00 -2.27 0.00 0.00 64.05 59.89 2cbh n THR 17 Cb 0.52 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.73 2cbh n THR 17 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2cbh s VAL 18 N -2.01 5.22 0.49 2.28 1.01 -1.26 -4.87 120.40 121.26 2cbh s VAL 18 Ca 0.25 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 2cbh s VAL 18 Cb 0.19 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 2cbh s VAL 18 CO 0.06 -0.00 1.06 0.00 0.00 0.00 0.00 175.10 176.22 2cbh n ALA 20 N -0.96 -3.63 -1.77 0.00 0.00 -0.73 -4.64 120.51 108.78 2cbh n ALA 20 Ca 0.09 -1.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.13 2cbh n ALA 20 Cb 0.52 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2cbh n ALA 20 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2cbh s SER 21 N -1.86 6.25 0.00 0.00 0.01 -1.26 -2.36 113.70 114.47 2cbh s SER 21 Ca 0.55 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.72 2cbh s SER 21 Cb -0.15 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.42 2cbh s SER 21 CO 0.67 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2cbh n GLY 22 N 0.57 0.84 3.56 3.44 0.00 -1.26 -5.03 105.19 107.30 2cbh n GLY 22 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2cbh n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cbh s THR 23 N -2.36 0.67 0.27 2.61 -4.23 -1.00 -5.05 115.64 106.55 2cbh s THR 23 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2cbh s THR 23 Cb 0.00 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 2cbh s THR 23 CO 0.00 0.00 0.32 0.42 -0.54 0.00 0.00 174.62 174.82 2cbh s THR 24 N -3.14 0.00 -0.20 3.99 -4.23 -1.23 -4.80 115.64 106.03 2cbh s THR 24 Ca 0.20 -1.77 -0.10 0.00 -1.18 0.00 0.00 61.69 58.84 2cbh s THR 24 Cb 0.02 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 2cbh s THR 24 CO 0.13 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.34 2cbh s GLN 26 N 0.37 1.74 0.36 0.00 -0.21 0.46 -4.91 119.66 117.46 2cbh s GLN 26 Ca 0.08 -0.51 -0.27 0.00 0.02 0.00 0.00 55.36 54.68 2cbh s GLN 26 Cb -0.11 -1.99 -0.09 0.00 1.00 0.00 0.00 33.01 31.82 2cbh s GLN 26 CO -0.02 -0.35 1.20 0.08 -2.12 0.00 0.00 175.29 174.08 2cbh s VAL 27 N 1.58 3.09 -0.13 1.09 1.01 -1.26 -1.34 120.40 124.43 2cbh s VAL 27 Ca 0.02 1.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.89 2cbh s VAL 27 Cb -0.14 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2cbh s VAL 27 CO -0.09 0.17 -0.26 -0.11 0.00 0.00 0.00 175.10 174.82 2cbh n LEU 28 N 0.52 1.63 -4.16 3.92 7.94 0.60 -4.87 117.00 122.57 2cbh n LEU 28 Ca 0.02 0.27 -0.15 0.00 -1.11 0.00 0.00 56.01 55.04 2cbh n LEU 28 Cb 0.45 -0.62 -0.07 0.00 0.53 0.00 0.00 43.42 43.71 2cbh n LEU 28 CO 0.54 -0.15 -0.03 0.20 -1.11 0.00 0.00 177.39 176.83 2cbh s ASN 29 N -6.20 0.81 0.00 1.96 0.01 -0.96 -4.99 114.94 105.57 2cbh s ASN 29 Ca -0.23 -1.47 0.00 0.00 -0.71 0.00 0.00 52.86 50.45 2cbh s ASN 29 Cb 0.05 0.55 0.00 0.00 0.41 0.00 0.00 41.25 42.26 2cbh s ASN 29 CO 0.32 -1.09 0.34 -2.65 -1.51 0.00 0.00 177.10 172.52 2cbh n PRO 30 N -0.48 0.47 0.00 -0.60 -0.02 -1.26 -1.88 135.00 131.23 2cbh n PRO 30 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2cbh n PRO 30 Cb 0.63 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 2cbh n PRO 30 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2cbh n TYR 31 N 0.50 0.00 -3.63 6.00 4.01 -1.26 -3.69 117.16 119.08 2cbh n TYR 31 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 2cbh n TYR 31 Cb 0.17 0.05 -0.07 0.00 -0.31 0.00 0.00 39.34 39.18 2cbh n TYR 31 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2cbh s TYR 32 N 0.00 -0.69 -0.15 -0.72 5.04 -0.79 -4.23 117.35 115.81 2cbh s TYR 32 Ca 0.00 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.25 2cbh s TYR 32 Cb 0.00 0.31 0.07 0.00 0.35 0.00 0.00 41.96 42.69 2cbh s TYR 32 CO 0.00 -0.33 0.18 -1.12 -1.34 0.00 0.00 175.55 172.94 2cbh s SER 33 N 0.37 1.20 0.54 4.32 0.01 -0.44 -0.29 113.70 119.41 2cbh s SER 33 Ca 0.01 -0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 2cbh s SER 33 Cb -0.05 0.29 -0.00 0.00 0.21 0.00 0.00 66.02 66.47 2cbh s SER 33 CO -0.02 -0.29 0.83 -1.58 0.41 0.00 0.00 173.24 172.59 2cbh s GLN 34 N 2.30 3.04 -0.26 12.44 0.74 -0.45 -0.79 119.66 136.67 2cbh s GLN 34 Ca 0.04 -0.09 -0.06 0.00 0.05 0.00 0.00 55.36 55.30 2cbh s GLN 34 Cb -0.14 -2.35 -0.01 0.00 1.10 0.00 0.00 33.01 31.60 2cbh s GLN 34 CO -0.09 -0.53 0.04 0.00 -0.55 0.00 0.00 175.29 174.16