#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 3.50 0.18 -0.78 2.00 -0.58 -4.92 119.66 119.06 2cbh s GLN 2 Ca 0.00 -0.39 0.03 0.00 -2.00 0.00 0.00 55.36 52.99 2cbh s GLN 2 Cb 0.00 -2.87 0.03 0.00 0.80 0.00 0.00 33.01 30.97 2cbh s GLN 2 CO 0.00 0.43 0.25 -1.13 -0.50 0.00 0.00 175.29 174.34 2cbh n SER 3 N -0.59 0.64 -4.67 6.67 3.41 -1.26 -0.01 113.62 117.80 2cbh n SER 3 Ca -0.05 -1.46 -0.31 0.00 -0.26 0.00 0.00 58.87 56.79 2cbh n SER 3 Cb 0.54 -0.13 0.16 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.12 1.73 -0.74 7.33 5.65 -1.26 -1.17 115.29 126.71 2cbh s HIS 4 Ca 0.19 1.72 0.00 0.00 0.25 0.00 0.00 55.06 57.21 2cbh s HIS 4 Cb -0.01 -3.29 0.00 0.00 -1.18 0.00 0.00 32.58 28.10 2cbh s HIS 4 CO 0.12 -2.75 0.00 0.66 -0.65 0.00 0.00 174.74 172.12 2cbh n TYR 5 N -4.19 -0.60 -2.97 3.88 4.01 -0.57 -4.86 117.16 111.86 2cbh n TYR 5 Ca 0.11 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.54 2cbh n TYR 5 Cb 0.52 -1.83 -0.04 0.00 -0.31 0.00 0.00 39.34 37.69 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 -1.57 1.99 -0.36 2.72 0.00 -0.31 -4.70 107.32 105.09 2cbh s GLY 6 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 44.72 44.28 2cbh s GLY 6 CO 0.00 -0.04 0.71 1.62 0.00 0.00 0.00 173.10 175.38 2cbh s GLN 7 N -3.68 3.73 -0.05 2.90 0.74 -1.26 -0.56 119.66 121.48 2cbh s GLN 7 Ca 0.50 0.20 0.18 0.00 0.05 0.00 0.00 55.36 56.29 2cbh s GLN 7 Cb -0.10 -3.80 -0.28 0.00 1.10 0.00 0.00 33.01 29.93 2cbh s GLN 7 CO 0.29 -0.78 0.35 0.00 -0.55 0.00 0.00 175.29 174.61 2cbh n GLY 9 N 1.52 3.75 0.00 0.00 0.00 -1.13 -3.87 105.19 105.46 2cbh n GLY 9 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 2.28 3.50 -0.02 0.00 -1.26 -1.69 105.19 108.00 2cbh n GLY 10 Ca 0.00 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.10 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 1.80 2.31 0.00 -0.61 5.41 -1.22 -0.95 119.36 126.10 2cbh n ILE 11 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.30 2cbh n ILE 11 Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 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 1.62 2.97 3.68 7.39 0.00 -1.26 -4.59 105.19 114.99 2cbh n GLY 12 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.83 3.47 -0.27 1.61 5.04 -0.12 -4.93 117.35 120.32 2cbh s TYR 13 Ca 0.00 1.43 0.09 0.00 -2.44 0.00 0.00 57.07 56.15 2cbh s TYR 13 Cb 0.00 -3.11 0.45 0.00 0.35 0.00 0.00 41.96 39.65 2cbh s TYR 13 CO 0.00 -0.24 1.20 -1.13 -1.34 0.00 0.00 175.55 174.04 2cbh n SER 14 N 5.14 3.98 -3.56 4.32 3.41 -1.26 -4.87 113.62 120.78 2cbh n SER 14 Ca 0.07 -3.74 -0.17 0.00 -0.26 0.00 0.00 58.87 54.76 2cbh n SER 14 Cb 0.49 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.81 3.47 3.75 5.00 0.00 -1.26 -5.12 105.19 110.22 2cbh n GLY 15 Ca 0.36 -2.28 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.14 2.21 -0.20 1.61 0.04 -1.26 -4.95 135.00 129.31 2cbh s PRO 16 Ca 0.07 1.29 0.12 0.00 0.04 0.00 0.00 61.00 62.52 2cbh s PRO 16 Cb -0.01 -1.88 0.43 0.00 0.04 0.00 0.00 34.50 33.08 2cbh s PRO 16 CO 0.04 -1.70 1.21 0.25 0.04 0.00 0.00 177.00 176.85 2cbh n THR 17 N -3.35 2.01 -3.87 1.26 -2.24 -1.25 -4.57 114.28 102.27 2cbh n THR 17 Ca 0.10 -3.12 -0.36 0.00 -2.27 0.00 0.00 64.05 58.41 2cbh n THR 17 Cb 0.53 -0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 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 -3.06 3.45 0.18 2.28 1.01 -1.26 -4.89 120.40 118.12 2cbh s VAL 18 Ca 0.39 -0.69 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 2cbh s VAL 18 Cb 0.38 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 2cbh s VAL 18 CO -0.07 0.25 0.73 0.00 0.00 0.00 0.00 175.10 176.01 2cbh n ALA 20 N 1.18 -0.92 -1.22 0.00 0.00 0.99 -4.76 120.51 115.78 2cbh n ALA 20 Ca -0.04 0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 2cbh n ALA 20 Cb 0.50 -1.88 0.05 0.00 0.00 0.00 0.00 19.45 18.13 2cbh n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cbh n SER 21 N 0.73 -2.38 0.00 0.00 7.64 -1.26 -1.98 113.62 116.36 2cbh n SER 21 Ca 0.11 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2cbh n SER 21 Cb 0.43 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2cbh n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cbh n GLY 22 N 2.08 2.98 3.66 0.23 0.00 -1.26 -4.98 105.19 107.89 2cbh n GLY 22 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.86 1.82 0.05 2.61 -4.23 -0.84 -5.05 115.64 108.13 2cbh s THR 23 Ca 0.00 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 58.45 2cbh s THR 23 Cb 0.00 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.03 2cbh s THR 23 CO 0.00 0.00 0.16 0.42 -0.54 0.00 0.00 174.62 174.66 2cbh s THR 24 N -2.74 0.13 0.10 3.99 -4.23 -1.26 -4.74 115.64 106.88 2cbh s THR 24 Ca 0.29 -1.03 -0.31 0.00 -1.18 0.00 0.00 61.69 59.45 2cbh s THR 24 Cb 0.08 -1.00 -0.07 0.00 1.34 0.00 0.00 72.50 72.84 2cbh s THR 24 CO 0.15 -0.57 1.32 0.00 -0.54 0.00 0.00 174.62 174.98 2cbh s GLN 26 N 1.00 1.05 0.06 0.00 -0.21 0.27 -4.92 119.66 116.92 2cbh s GLN 26 Ca 0.62 -1.16 -0.36 0.00 0.02 0.00 0.00 55.36 54.48 2cbh s GLN 26 Cb -0.35 -2.38 -0.15 0.00 1.00 0.00 0.00 33.01 31.14 2cbh s GLN 26 CO 0.30 -0.86 1.50 0.28 -2.12 0.00 0.00 175.29 174.40 2cbh n VAL 27 N 4.71 0.08 -0.09 1.09 0.31 -1.26 -1.46 118.33 121.71 2cbh n VAL 27 Ca -0.04 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 2cbh n VAL 27 Cb 0.43 -1.18 -0.05 0.00 -0.91 0.00 0.00 33.84 32.13 2cbh n VAL 27 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2cbh n LEU 28 N 3.45 1.86 -3.97 7.52 -0.00 0.42 -4.80 117.00 121.48 2cbh n LEU 28 Ca 0.19 0.50 -0.09 0.00 -0.00 0.00 0.00 56.01 56.61 2cbh n LEU 28 Cb 0.22 -0.87 -0.04 0.00 -0.00 0.00 0.00 43.42 42.73 2cbh n LEU 28 CO 0.65 -0.14 0.25 0.54 -0.00 0.00 0.00 177.39 178.69 2cbh s ASN 29 N -6.23 -0.01 0.00 1.96 2.20 0.37 -4.98 114.94 108.24 2cbh s ASN 29 Ca -0.23 -0.95 0.00 0.00 -0.94 0.00 0.00 52.86 50.74 2cbh s ASN 29 Cb 0.05 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 39.93 2cbh s ASN 29 CO 0.38 -1.23 0.29 -2.65 -2.94 0.00 0.00 177.10 170.95 2cbh n PRO 30 N -0.42 0.39 -0.10 3.55 -0.02 -1.26 -1.31 135.00 135.84 2cbh n PRO 30 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2cbh n PRO 30 Cb 0.61 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.54 0.00 -3.65 6.00 4.02 -1.26 -3.41 117.16 119.40 2cbh n TYR 31 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.87 2cbh n TYR 31 Cb 0.14 0.09 -0.06 0.00 -0.02 0.00 0.00 39.34 39.49 2cbh n TYR 31 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2cbh s TYR 32 N 0.00 -0.42 -0.17 -0.72 5.04 -0.42 -4.37 117.35 116.28 2cbh s TYR 32 Ca 0.00 0.86 -0.01 0.00 -2.44 0.00 0.00 57.07 55.48 2cbh s TYR 32 Cb 0.00 0.28 0.05 0.00 0.35 0.00 0.00 41.96 42.64 2cbh s TYR 32 CO 0.00 -0.21 -0.01 -1.12 -1.34 0.00 0.00 175.55 172.87 2cbh s SER 33 N 1.13 2.78 0.29 4.32 0.01 -0.68 -0.44 113.70 121.11 2cbh s SER 33 Ca -0.07 -0.69 0.04 0.00 1.31 0.00 0.00 55.95 56.54 2cbh s SER 33 Cb -0.03 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.42 2cbh s SER 33 CO -0.13 -0.24 0.43 -1.58 0.41 0.00 0.00 173.24 172.14 2cbh s GLN 34 N 1.74 3.38 -0.21 12.44 0.74 -0.53 -0.24 119.66 136.98 2cbh s GLN 34 Ca 0.00 -0.70 -0.03 0.00 0.05 0.00 0.00 55.36 54.68 2cbh s GLN 34 Cb -0.16 -2.81 -0.01 0.00 1.10 0.00 0.00 33.01 31.13 2cbh s GLN 34 CO -0.07 0.27 -0.05 0.00 -0.55 0.00 0.00 175.29 174.89