#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cbh s GLN 2 N 0.00 1.41 0.56 -0.78 2.00 0.78 -4.96 119.66 118.67 2cbh s GLN 2 Ca 0.00 -1.39 0.07 0.00 -2.00 0.00 0.00 55.36 52.04 2cbh s GLN 2 Cb 0.00 -1.84 0.07 0.00 0.80 0.00 0.00 33.01 32.04 2cbh s GLN 2 CO 0.00 0.42 0.77 -1.54 -0.50 0.00 0.00 175.29 174.44 2cbh s SER 3 N -2.24 5.14 0.24 6.67 1.04 -1.26 0.87 113.70 124.15 2cbh s SER 3 Ca 0.15 -0.64 -0.31 0.00 0.48 0.00 0.00 55.95 55.64 2cbh s SER 3 Cb -0.09 -0.03 -0.14 0.00 0.10 0.00 0.00 66.02 65.85 2cbh s SER 3 CO 0.07 -1.26 1.25 1.57 0.98 0.00 0.00 173.24 175.84 2cbh n HIS 4 N -2.24 1.74 -1.74 5.02 -0.00 -1.26 -0.42 115.22 116.32 2cbh n HIS 4 Ca 0.13 0.57 -0.10 0.00 -0.00 0.00 0.00 57.72 58.32 2cbh n HIS 4 Cb 0.61 -2.36 -0.02 0.00 -0.00 0.00 0.00 29.99 28.21 2cbh n HIS 4 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2cbh n TYR 5 N 1.32 -0.24 -3.83 1.57 4.01 0.47 -4.98 117.16 115.48 2cbh n TYR 5 Ca 0.12 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.54 2cbh n TYR 5 Cb 0.30 -2.17 -0.04 0.00 -0.31 0.00 0.00 39.34 37.11 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 -2.72 2.21 -0.44 2.72 0.00 0.44 -4.73 107.32 104.79 2cbh s GLY 6 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 2cbh s GLY 6 CO 0.00 -0.67 1.06 1.62 0.00 0.00 0.00 173.10 175.11 2cbh s GLN 7 N -2.43 3.73 -0.01 2.90 0.74 -1.26 -0.02 119.66 123.32 2cbh s GLN 7 Ca 0.35 0.53 0.18 0.00 0.05 0.00 0.00 55.36 56.47 2cbh s GLN 7 Cb -0.13 -3.88 -0.22 0.00 1.10 0.00 0.00 33.01 29.89 2cbh s GLN 7 CO 0.25 -1.24 0.65 0.00 -0.55 0.00 0.00 175.29 174.40 2cbh n GLY 9 N 1.43 2.54 0.00 0.00 0.00 -1.11 -3.98 105.19 104.07 2cbh n GLY 9 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 2.06 3.44 -0.02 0.00 -1.26 0.07 105.19 109.48 2cbh n GLY 10 Ca 0.00 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 2.40 1.56 -1.07 -0.61 5.41 -1.25 -2.24 119.36 123.55 2cbh n ILE 11 Ca 0.00 -0.39 -0.03 0.00 1.00 0.00 0.00 62.75 63.33 2cbh n ILE 11 Cb 0.00 -0.69 -0.01 0.00 -0.71 0.00 0.00 39.64 38.23 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 1.71 0.58 3.79 7.39 0.00 -1.26 -4.37 105.19 113.03 2cbh n GLY 12 Ca 0.09 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.98 3.16 0.00 1.61 5.04 -0.95 -5.01 117.35 119.22 2cbh s TYR 13 Ca 0.00 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 2cbh s TYR 13 Cb 0.00 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.76 2cbh s TYR 13 CO 0.00 0.52 0.19 -1.13 -1.34 0.00 0.00 175.55 173.79 2cbh n SER 14 N -0.08 0.22 -4.75 4.32 3.41 -1.26 -5.04 113.62 110.44 2cbh n SER 14 Ca -0.08 -1.04 -0.23 0.00 -0.26 0.00 0.00 58.87 57.26 2cbh n SER 14 Cb 0.54 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.04 1.75 0.92 5.00 0.00 -1.26 -5.08 107.32 108.61 2cbh s GLY 15 Ca 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 44.72 42.74 2cbh s GLY 15 CO 0.00 -1.32 1.11 2.56 0.00 0.00 0.00 173.10 175.46 2cbh s PRO 16 N -5.04 1.03 -0.21 2.90 0.05 -1.26 -4.94 135.00 127.53 2cbh s PRO 16 Ca 0.66 1.30 0.14 0.00 0.05 0.00 0.00 61.00 63.15 2cbh s PRO 16 Cb -0.05 -1.75 0.43 0.00 0.05 0.00 0.00 34.50 33.18 2cbh s PRO 16 CO 0.43 -2.54 1.31 0.25 0.05 0.00 0.00 177.00 176.50 2cbh n THR 17 N -4.15 2.23 -3.69 1.26 -2.24 -1.26 -4.46 114.28 101.99 2cbh n THR 17 Ca 0.10 -2.61 -0.38 0.00 -2.27 0.00 0.00 64.05 58.89 2cbh n THR 17 Cb 0.53 -0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 68.37 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 -3.07 4.48 0.32 2.28 1.01 -1.26 -4.92 120.40 119.24 2cbh s VAL 18 Ca 0.39 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 2cbh s VAL 18 Cb 0.35 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 2cbh s VAL 18 CO 0.00 0.13 0.76 0.00 0.00 0.00 0.00 175.10 175.99 2cbh n ALA 20 N -0.28 0.12 -0.77 0.00 0.00 0.25 -4.72 120.51 115.10 2cbh n ALA 20 Ca 0.03 -0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 2cbh n ALA 20 Cb 0.53 -2.12 0.13 0.00 0.00 0.00 0.00 19.45 17.99 2cbh n ALA 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cbh n SER 21 N -1.02 -1.77 0.00 0.00 2.88 -1.26 -1.75 113.62 110.70 2cbh n SER 21 Ca 0.14 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2cbh n SER 21 Cb 0.48 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2cbh n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cbh n GLY 22 N 1.34 3.06 3.39 0.46 0.00 -1.26 -4.95 105.19 107.23 2cbh n GLY 22 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.26 1.57 0.30 2.61 -4.23 -0.72 -5.07 115.64 108.84 2cbh s THR 23 Ca 0.00 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.40 2cbh s THR 23 Cb 0.00 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 2cbh s THR 23 CO 0.00 -0.40 0.15 0.42 -0.54 0.00 0.00 174.62 174.26 2cbh s THR 24 N -3.06 0.34 0.28 3.99 -4.23 -0.89 -4.61 115.64 107.45 2cbh s THR 24 Ca 0.27 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.63 2cbh s THR 24 Cb 0.03 -2.52 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 2cbh s THR 24 CO 0.10 0.00 0.68 0.00 -0.54 0.00 0.00 174.62 174.86 2cbh s GLN 26 N -2.73 0.07 -0.15 0.00 1.11 -0.23 -4.88 119.66 112.85 2cbh s GLN 26 Ca 0.50 0.49 -0.29 0.00 0.01 0.00 0.00 55.36 56.07 2cbh s GLN 26 Cb -0.12 -0.22 -0.06 0.00 -1.01 0.00 0.00 33.01 31.60 2cbh s GLN 26 CO 0.19 -0.24 2.06 0.08 0.01 0.00 0.00 175.29 177.38 2cbh s VAL 27 N 1.79 3.11 -0.12 1.09 1.01 -1.26 -0.94 120.40 125.08 2cbh s VAL 27 Ca -0.03 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 2cbh s VAL 27 Cb -0.12 -3.12 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 2cbh s VAL 27 CO -0.06 -0.06 0.17 0.25 0.00 0.00 0.00 175.10 175.40 2cbh h LEU 28 N 13.31 0.00 -8.30 3.92 7.12 -0.97 -3.46 115.31 126.93 2cbh h LEU 28 Ca -0.42 -0.27 -0.11 0.00 0.13 0.00 0.00 57.88 57.21 2cbh h LEU 28 Cb 1.23 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.27 2cbh h LEU 28 CO 0.96 0.71 -0.15 0.54 -0.13 0.00 0.00 178.44 180.37 2cbh s ASN 29 N -5.81 0.10 0.00 1.25 2.20 -0.32 -4.99 114.94 107.37 2cbh s ASN 29 Ca -0.08 -1.07 0.00 0.00 -0.94 0.00 0.00 52.86 50.77 2cbh s ASN 29 Cb -0.00 0.60 0.00 0.00 -2.00 0.00 0.00 41.25 39.85 2cbh s ASN 29 CO 0.23 -1.17 0.22 -2.65 -2.94 0.00 0.00 177.10 170.79 2cbh n PRO 30 N -0.41 0.30 -0.33 3.55 -0.02 -1.26 -1.45 135.00 135.38 2cbh n PRO 30 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2cbh n PRO 30 Cb 0.62 -1.24 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 0.58 0.00 -3.41 6.00 4.01 -1.26 -3.82 117.16 119.26 2cbh n TYR 31 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 2cbh n TYR 31 Cb 0.11 0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.54 -0.26 -0.72 5.04 -0.52 -4.30 117.35 116.05 2cbh s TYR 32 Ca 0.00 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 55.60 2cbh s TYR 32 Cb 0.00 0.33 0.05 0.00 0.35 0.00 0.00 41.96 42.68 2cbh s TYR 32 CO 0.00 -0.27 -0.09 -1.12 -1.34 0.00 0.00 175.55 172.73 2cbh s SER 33 N 2.18 4.36 0.13 4.32 0.01 0.11 -0.28 113.70 124.52 2cbh s SER 33 Ca -0.03 -1.22 -0.15 0.00 1.31 0.00 0.00 55.95 55.86 2cbh s SER 33 Cb -0.05 -1.59 -0.07 0.00 0.21 0.00 0.00 66.02 64.53 2cbh s SER 33 CO -0.17 -0.17 0.54 -1.58 0.41 0.00 0.00 173.24 172.27 2cbh s GLN 34 N 1.18 3.99 -0.35 12.44 2.00 -0.12 -0.37 119.66 138.43 2cbh s GLN 34 Ca -0.06 0.50 -0.23 0.00 -2.00 0.00 0.00 55.36 53.58 2cbh s GLN 34 Cb -0.19 -2.99 0.01 0.00 0.80 0.00 0.00 33.01 30.64 2cbh s GLN 34 CO -0.05 0.52 0.76 0.00 -0.50 0.00 0.00 175.29 176.01