#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 1.86 -4.30 -0.78 -0.06 -0.93 -4.96 117.38 108.21 2cbh n GLN 2 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.84 2cbh n GLN 2 Cb 0.00 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.08 2cbh n GLN 2 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2cbh s SER 3 N -0.99 1.07 0.61 1.69 0.01 -1.26 -3.54 113.70 111.29 2cbh s SER 3 Ca 0.00 -1.45 -0.19 0.00 1.31 0.00 0.00 55.95 55.63 2cbh s SER 3 Cb 0.00 0.29 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 2cbh s SER 3 CO 0.00 -0.81 1.11 1.57 0.41 0.00 0.00 173.24 175.52 2cbh n HIS 4 N -0.46 1.34 -2.10 2.43 -0.00 -1.26 -0.33 115.22 114.84 2cbh n HIS 4 Ca 0.01 0.43 -0.14 0.00 0.46 0.00 0.00 57.72 58.48 2cbh n HIS 4 Cb 0.66 -2.20 -0.02 0.00 -0.12 0.00 0.00 29.99 28.30 2cbh n HIS 4 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2cbh n TYR 5 N -1.72 -0.99 -4.01 1.57 4.01 0.48 -4.92 117.16 111.59 2cbh n TYR 5 Ca 0.14 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.57 2cbh n TYR 5 Cb 0.47 -2.95 -0.06 0.00 -0.31 0.00 0.00 39.34 36.50 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 -2.10 2.08 -0.25 2.72 0.00 0.55 -4.73 107.32 105.60 2cbh s GLY 6 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 2cbh s GLY 6 CO 0.00 -0.93 1.22 1.62 0.00 0.00 0.00 173.10 175.02 2cbh s GLN 7 N -2.40 4.09 -0.08 2.90 0.74 -1.26 0.25 119.66 123.90 2cbh s GLN 7 Ca 0.31 1.39 0.14 0.00 0.05 0.00 0.00 55.36 57.25 2cbh s GLN 7 Cb -0.12 -3.79 -0.21 0.00 1.10 0.00 0.00 33.01 29.99 2cbh s GLN 7 CO 0.24 -0.88 0.20 0.00 -0.55 0.00 0.00 175.29 174.29 2cbh n GLY 9 N 1.87 3.99 0.00 0.00 0.00 -1.08 -3.85 105.19 106.11 2cbh n GLY 9 Ca -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 2.37 3.72 -0.02 0.00 -1.26 -2.04 105.19 107.97 2cbh n GLY 10 Ca 0.00 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 2cbh n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cbh s ILE 11 N -2.16 2.23 0.00 -0.61 1.01 -1.25 -1.98 121.20 118.44 2cbh s ILE 11 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2cbh s ILE 11 Cb 0.00 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.71 2cbh s ILE 11 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.50 2cbh n GLY 12 N 0.51 2.90 3.77 6.18 0.00 -1.26 -4.64 105.19 112.65 2cbh n GLY 12 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.83 3.71 -0.28 1.61 5.04 -0.84 -4.97 117.35 118.80 2cbh s TYR 13 Ca 0.00 1.23 0.18 0.00 -2.44 0.00 0.00 57.07 56.04 2cbh s TYR 13 Cb 0.00 -2.61 0.49 0.00 0.35 0.00 0.00 41.96 40.19 2cbh s TYR 13 CO 0.00 0.38 1.12 -1.13 -1.34 0.00 0.00 175.55 174.58 2cbh n SER 14 N 2.59 2.57 -4.58 4.32 3.41 -1.26 -4.92 113.62 115.74 2cbh n SER 14 Ca -0.07 -2.60 -0.28 0.00 -0.26 0.00 0.00 58.87 55.66 2cbh n SER 14 Cb 0.51 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.92 2cbh n SER 14 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cbh s GLY 15 N -3.68 2.62 0.88 5.00 0.00 -1.26 -5.12 107.32 105.75 2cbh s GLY 15 Ca 0.34 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.44 2cbh s GLY 15 CO -0.02 -2.06 1.02 -1.05 0.00 0.00 0.00 173.10 171.00 2cbh n PRO 16 N -1.01 -0.19 -0.89 2.90 -0.01 -1.26 -4.91 135.00 129.62 2cbh n PRO 16 Ca -0.09 0.01 0.05 0.00 -0.01 0.00 0.00 63.50 63.46 2cbh n PRO 16 Cb 0.67 -2.29 0.14 0.00 -0.01 0.00 0.00 33.50 32.00 2cbh n PRO 16 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 2cbh n THR 17 N -3.75 1.38 -3.59 3.45 -2.24 -1.25 -4.66 114.28 103.62 2cbh n THR 17 Ca 0.12 -2.36 -0.41 0.00 -2.27 0.00 0.00 64.05 59.13 2cbh n THR 17 Cb 0.52 0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.03 4.57 0.69 2.28 1.01 -1.26 -4.87 120.40 120.78 2cbh s VAL 18 Ca 0.36 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 2cbh s VAL 18 Cb 0.37 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2cbh s VAL 18 CO -0.10 -0.28 1.09 0.00 0.00 0.00 0.00 175.10 175.81 2cbh n ALA 20 N -2.78 -3.79 -1.77 0.00 0.00 -1.23 -4.74 120.51 106.20 2cbh n ALA 20 Ca 0.09 -1.26 -0.39 0.00 0.00 0.00 0.00 53.44 51.88 2cbh n ALA 20 Cb 0.53 -1.67 0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.01 6.05 0.00 0.00 0.01 -1.26 -2.17 113.70 114.31 2cbh s SER 21 Ca 0.60 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.60 2cbh s SER 21 Cb -0.16 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2cbh s SER 21 CO 0.66 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2cbh n GLY 22 N 0.63 2.75 3.76 3.44 0.00 -1.26 -4.99 105.19 109.52 2cbh n GLY 22 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.05 2.47 0.25 2.61 -4.23 -0.92 -5.09 115.64 108.67 2cbh s THR 23 Ca 0.00 -1.64 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 2cbh s THR 23 Cb 0.00 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 2cbh s THR 23 CO 0.00 -0.03 0.19 0.42 -0.54 0.00 0.00 174.62 174.67 2cbh s THR 24 N -2.55 0.00 0.06 3.99 -4.23 -1.26 -4.69 115.64 106.96 2cbh s THR 24 Ca 0.42 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.82 2cbh s THR 24 Cb 0.02 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.30 2cbh s THR 24 CO 0.23 0.00 0.44 0.00 -0.54 0.00 0.00 174.62 174.76 2cbh s GLN 26 N -1.56 0.04 0.12 0.00 -0.21 0.14 -4.85 119.66 113.33 2cbh s GLN 26 Ca 0.30 0.26 -0.31 0.00 0.02 0.00 0.00 55.36 55.64 2cbh s GLN 26 Cb -0.15 -0.48 -0.07 0.00 1.00 0.00 0.00 33.01 33.31 2cbh s GLN 26 CO 0.17 -0.26 1.27 0.08 -2.12 0.00 0.00 175.29 174.43 2cbh s VAL 27 N 1.71 3.62 -0.19 1.09 1.01 -1.26 -0.59 120.40 125.78 2cbh s VAL 27 Ca -0.01 1.22 -0.15 0.00 0.00 0.00 0.00 61.98 63.04 2cbh s VAL 27 Cb -0.12 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 2cbh s VAL 27 CO -0.03 0.13 -0.24 -0.11 0.00 0.00 0.00 175.10 174.85 2cbh n LEU 28 N 3.48 1.89 -4.17 3.92 7.94 0.93 -4.87 117.00 126.12 2cbh n LEU 28 Ca 0.08 0.43 -0.14 0.00 -1.11 0.00 0.00 56.01 55.28 2cbh n LEU 28 Cb 0.44 -0.82 -0.08 0.00 0.53 0.00 0.00 43.42 43.50 2cbh n LEU 28 CO 0.57 -0.13 -0.08 0.20 -1.11 0.00 0.00 177.39 176.83 2cbh s ASN 29 N -6.22 0.60 0.00 1.96 0.01 -0.86 -5.00 114.94 105.42 2cbh s ASN 29 Ca -0.26 -1.42 0.00 0.00 -0.71 0.00 0.00 52.86 50.46 2cbh s ASN 29 Cb 0.05 0.50 0.00 0.00 0.41 0.00 0.00 41.25 42.21 2cbh s ASN 29 CO 0.39 -1.01 0.38 -2.65 -1.51 0.00 0.00 177.10 172.70 2cbh n PRO 30 N -0.42 0.51 -0.56 -0.60 -0.02 -1.26 -1.85 135.00 130.79 2cbh n PRO 30 Ca 0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2cbh n PRO 30 Cb 0.64 -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 -3.49 6.00 4.01 -1.26 -3.97 117.16 118.95 2cbh n TYR 31 Ca 0.00 -0.04 0.02 0.00 -0.16 0.00 0.00 57.90 57.71 2cbh n TYR 31 Cb 0.19 0.14 -0.05 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.27 -0.17 -0.72 5.04 -0.77 -4.51 117.35 115.95 2cbh s TYR 32 Ca 0.01 0.50 -0.01 0.00 -2.44 0.00 0.00 57.07 55.14 2cbh s TYR 32 Cb 0.01 0.16 0.05 0.00 0.35 0.00 0.00 41.96 42.53 2cbh s TYR 32 CO -0.01 -0.13 -0.02 -1.12 -1.34 0.00 0.00 175.55 172.93 2cbh s SER 33 N 1.57 2.80 0.23 4.32 0.01 -0.86 -0.05 113.70 121.73 2cbh s SER 33 Ca -0.05 -0.68 0.05 0.00 1.31 0.00 0.00 55.95 56.58 2cbh s SER 33 Cb -0.03 -0.80 -0.03 0.00 0.21 0.00 0.00 66.02 65.37 2cbh s SER 33 CO -0.14 -0.22 0.32 -1.58 0.41 0.00 0.00 173.24 172.03 2cbh s GLN 34 N 1.71 3.32 -0.18 12.44 0.74 0.24 0.01 119.66 137.93 2cbh s GLN 34 Ca 0.00 -0.81 -0.13 0.00 0.05 0.00 0.00 55.36 54.47 2cbh s GLN 34 Cb -0.16 -2.82 -0.05 0.00 1.10 0.00 0.00 33.01 31.09 2cbh s GLN 34 CO -0.07 0.43 0.26 0.00 -0.55 0.00 0.00 175.29 175.36