#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 0.86 -2.71 -0.78 -0.06 -0.58 -4.96 117.38 109.15 2cbh n GLN 2 Ca 0.00 -2.00 -0.09 0.00 -2.00 0.00 0.00 57.00 52.91 2cbh n GLN 2 Cb 0.00 0.02 -0.02 0.00 -4.06 0.00 0.00 30.24 26.18 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 -2.29 2.29 -4.78 1.69 3.41 -1.26 -2.66 113.62 110.02 2cbh n SER 3 Ca 0.05 -1.60 -0.35 0.00 -0.26 0.00 0.00 58.87 56.71 2cbh n SER 3 Cb 0.38 0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.52 2.73 -1.22 7.33 5.65 -1.26 -2.17 115.29 124.82 2cbh s HIS 4 Ca 0.00 1.55 0.00 0.00 0.25 0.00 0.00 55.06 56.86 2cbh s HIS 4 Cb 0.00 -3.25 0.00 0.00 -1.18 0.00 0.00 32.58 28.15 2cbh s HIS 4 CO 0.00 -1.45 0.00 0.66 -0.65 0.00 0.00 174.74 173.30 2cbh n TYR 5 N -1.23 -0.26 -3.38 3.88 4.01 0.25 -4.91 117.16 115.53 2cbh n TYR 5 Ca 0.11 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.55 2cbh n TYR 5 Cb 0.51 -2.47 -0.04 0.00 -0.31 0.00 0.00 39.34 37.03 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 -2.04 2.03 -0.25 2.72 0.00 -0.92 -4.63 107.32 104.23 2cbh s GLY 6 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 44.72 43.98 2cbh s GLY 6 CO 0.00 -0.35 0.98 1.62 0.00 0.00 0.00 173.10 175.35 2cbh s GLN 7 N -3.25 4.20 -0.04 2.90 0.74 -1.26 -0.26 119.66 122.69 2cbh s GLN 7 Ca 0.45 1.18 0.13 0.00 0.05 0.00 0.00 55.36 57.17 2cbh s GLN 7 Cb -0.11 -3.66 -0.20 0.00 1.10 0.00 0.00 33.01 30.15 2cbh s GLN 7 CO 0.27 -0.64 0.25 0.00 -0.55 0.00 0.00 175.29 174.62 2cbh n GLY 9 N 1.84 3.14 0.00 0.00 0.00 -1.14 -4.24 105.19 104.78 2cbh n GLY 9 Ca -0.06 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 2.95 3.55 -0.02 0.00 -1.26 -0.84 105.19 109.57 2cbh n GLY 10 Ca 0.00 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 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 0.60 2.05 0.00 -0.61 5.41 -1.25 -1.28 119.36 124.29 2cbh n ILE 11 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.41 2cbh n ILE 11 Cb 0.00 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 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 1.25 2.72 3.72 7.39 0.00 -1.26 -4.66 105.19 114.35 2cbh n GLY 12 Ca 0.11 0.00 -0.37 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 -2.60 3.46 -0.38 1.61 5.04 -0.40 -4.99 117.35 119.08 2cbh s TYR 13 Ca 0.00 0.62 0.12 0.00 -2.44 0.00 0.00 57.07 55.38 2cbh s TYR 13 Cb 0.00 -2.38 0.37 0.00 0.35 0.00 0.00 41.96 40.30 2cbh s TYR 13 CO 0.00 0.20 0.80 -1.13 -1.34 0.00 0.00 175.55 174.08 2cbh n SER 14 N 3.68 1.33 -2.71 4.32 3.41 -1.26 -4.86 113.62 117.52 2cbh n SER 14 Ca -0.11 -3.03 -0.15 0.00 -0.26 0.00 0.00 58.87 55.33 2cbh n SER 14 Cb 0.52 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.16 3.21 3.54 5.00 0.00 -1.26 -5.13 105.19 110.70 2cbh n GLY 15 Ca 0.23 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 2cbh n GLY 15 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2cbh n PRO 16 N -0.49 -0.07 -0.85 1.61 -0.02 -1.26 -4.95 135.00 128.98 2cbh n PRO 16 Ca 0.05 0.04 0.05 0.00 -2.02 0.00 0.00 63.50 61.62 2cbh n PRO 16 Cb 0.45 -2.09 0.08 0.00 -0.02 0.00 0.00 33.50 31.92 2cbh n PRO 16 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2cbh n THR 17 N -3.38 0.86 -3.67 3.45 -2.24 -1.26 -4.78 114.28 103.26 2cbh n THR 17 Ca 0.10 -1.57 -0.38 0.00 -2.27 0.00 0.00 64.05 59.93 2cbh n THR 17 Cb 0.52 0.39 -0.12 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.27 4.50 0.74 2.28 1.01 -1.26 -4.86 120.40 121.53 2cbh s VAL 18 Ca 0.28 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 2cbh s VAL 18 Cb 0.29 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.39 2cbh s VAL 18 CO -0.08 0.05 1.08 0.00 0.00 0.00 0.00 175.10 176.15 2cbh n ALA 20 N -3.31 -3.42 -1.77 0.00 0.00 -1.09 -4.70 120.51 106.22 2cbh n ALA 20 Ca 0.08 -1.35 -0.40 0.00 0.00 0.00 0.00 53.44 51.77 2cbh n ALA 20 Cb 0.54 -1.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.46 6.32 0.00 0.00 0.01 -1.26 -2.26 113.70 114.05 2cbh s SER 21 Ca 0.69 2.80 0.00 0.00 1.31 0.00 0.00 55.95 60.75 2cbh s SER 21 Cb -0.24 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.34 2cbh s SER 21 CO 0.65 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2cbh n GLY 22 N 0.63 1.46 3.47 3.44 0.00 -1.26 -5.02 105.19 107.90 2cbh n GLY 22 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.92 1.81 0.08 2.61 -4.23 -0.96 -5.05 115.64 106.98 2cbh s THR 23 Ca 0.00 -2.14 -0.01 0.00 -1.18 0.00 0.00 61.69 58.35 2cbh s THR 23 Cb 0.00 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 2cbh s THR 23 CO 0.00 -0.26 0.02 0.42 -0.54 0.00 0.00 174.62 174.26 2cbh s THR 24 N -2.90 0.17 -0.38 3.99 -4.23 0.76 -4.70 115.64 108.35 2cbh s THR 24 Ca 0.31 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 58.79 2cbh s THR 24 Cb 0.04 -1.72 0.01 0.00 1.34 0.00 0.00 72.50 72.17 2cbh s THR 24 CO 0.13 -0.78 0.67 0.00 -0.54 0.00 0.00 174.62 174.11 2cbh s GLN 26 N 2.85 3.79 -0.02 0.00 1.11 0.16 -4.98 119.66 122.57 2cbh s GLN 26 Ca 0.26 -0.43 -0.30 0.00 0.01 0.00 0.00 55.36 54.90 2cbh s GLN 26 Cb -0.14 -3.22 -0.04 0.00 -1.01 0.00 0.00 33.01 28.60 2cbh s GLN 26 CO 0.17 0.07 1.24 0.08 0.01 0.00 0.00 175.29 176.85 2cbh s VAL 27 N 0.92 4.11 -0.15 1.09 1.01 -1.26 -0.96 120.40 125.15 2cbh s VAL 27 Ca 0.03 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 2cbh s VAL 27 Cb -0.14 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 2cbh s VAL 27 CO 0.03 0.02 -0.08 0.25 0.00 0.00 0.00 175.10 175.31 2cbh h LEU 28 N 7.93 0.00 -8.19 3.92 5.85 -1.40 -3.47 115.31 119.95 2cbh h LEU 28 Ca -0.36 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 2cbh h LEU 28 Cb 1.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2cbh h LEU 28 CO 0.87 0.86 0.10 0.54 -0.34 0.00 0.00 178.44 180.47 2cbh s ASN 29 N -5.91 0.34 0.00 1.25 2.20 -0.71 -5.00 114.94 107.10 2cbh s ASN 29 Ca -0.16 -1.27 0.00 0.00 -0.94 0.00 0.00 52.86 50.50 2cbh s ASN 29 Cb 0.02 0.78 0.00 0.00 -2.00 0.00 0.00 41.25 40.06 2cbh s ASN 29 CO 0.27 -1.54 0.25 -2.65 -2.94 0.00 0.00 177.10 170.49 2cbh n PRO 30 N -0.54 0.38 -0.31 3.55 -0.02 -1.26 -2.04 135.00 134.75 2cbh n PRO 30 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2cbh n PRO 30 Cb 0.60 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 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 0.48 0.00 -3.65 6.00 4.01 -1.26 -3.74 117.16 119.00 2cbh n TYR 31 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 2cbh n TYR 31 Cb 0.13 0.15 -0.07 0.00 -0.31 0.00 0.00 39.34 39.24 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 -0.26 -0.15 -0.72 5.04 -0.87 -4.40 117.35 115.99 2cbh s TYR 32 Ca 0.00 0.55 -0.03 0.00 -2.44 0.00 0.00 57.07 55.15 2cbh s TYR 32 Cb 0.00 0.27 0.05 0.00 0.35 0.00 0.00 41.96 42.63 2cbh s TYR 32 CO 0.00 -0.13 0.04 -1.12 -1.34 0.00 0.00 175.55 173.00 2cbh s SER 33 N 0.77 2.37 0.32 4.32 0.01 -0.02 -0.98 113.70 120.49 2cbh s SER 33 Ca -0.03 -0.54 -0.08 0.00 1.31 0.00 0.00 55.95 56.60 2cbh s SER 33 Cb -0.04 -0.47 -0.06 0.00 0.21 0.00 0.00 66.02 65.66 2cbh s SER 33 CO -0.12 -0.28 0.64 -1.58 0.41 0.00 0.00 173.24 172.31 2cbh s GLN 34 N 1.95 3.73 -0.31 12.44 2.00 -0.14 -0.65 119.66 138.69 2cbh s GLN 34 Ca 0.01 0.25 -0.08 0.00 -2.00 0.00 0.00 55.36 53.54 2cbh s GLN 34 Cb -0.15 -2.55 0.01 0.00 0.80 0.00 0.00 33.01 31.12 2cbh s GLN 34 CO -0.07 0.14 0.12 0.00 -0.50 0.00 0.00 175.29 174.98