#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbw n PRO 2 N 0.00 1.35 0.31 2.89 -0.02 -1.26 -4.82 135.00 133.45 1cbw n PRO 2 Ca 0.00 0.47 0.21 0.00 -2.02 0.00 0.00 63.50 62.17 1cbw n PRO 2 Cb 0.00 -1.86 1.12 0.00 -0.02 0.00 0.00 33.50 32.74 1cbw n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1cbw h ASP 3 N 1.93 0.00 0.00 2.55 5.19 -2.01 -1.47 116.42 122.62 1cbw h ASP 3 Ca -0.40 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.96 1cbw h ASP 3 Cb 1.34 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 1cbw h ASP 3 CO 0.60 0.00 -0.13 2.19 -3.12 0.00 0.00 179.24 178.78 1cbw h PHE 4 N 0.00 0.29 0.00 4.55 -5.15 -1.98 -1.44 116.94 113.21 1cbw h PHE 4 Ca 0.00 -0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.73 1cbw h PHE 4 Cb 0.03 -0.08 0.00 0.00 0.22 0.00 0.00 35.95 36.12 1cbw h PHE 4 CO 0.00 0.41 0.08 0.00 -2.00 0.00 0.00 178.31 176.80 1cbw h LEU 6 N 0.00 0.00 -9.79 0.00 3.38 -1.43 -3.42 115.31 104.05 1cbw h LEU 6 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1cbw h LEU 6 Cb 0.16 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.99 1cbw h LEU 6 CO 0.00 0.40 0.87 -1.61 0.09 0.00 0.00 178.44 178.19 1cbw s GLU 7 N -3.05 4.14 0.60 1.13 0.41 0.12 -4.88 118.70 117.18 1cbw s GLU 7 Ca -0.01 2.54 -0.18 0.00 -0.41 0.00 0.00 54.97 56.91 1cbw s GLU 7 Cb 0.09 -3.04 -0.03 0.00 -1.78 0.00 0.00 34.13 29.37 1cbw s GLU 7 CO 0.79 -0.60 1.17 -1.25 -0.49 0.00 0.00 175.26 174.88 1cbw s PRO 8 N -0.45 2.98 0.28 0.39 0.04 -1.26 -4.80 135.00 132.18 1cbw s PRO 8 Ca 0.63 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 63.08 1cbw s PRO 8 Cb -0.47 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 31.99 1cbw s PRO 8 CO 0.47 -1.17 1.20 -0.35 0.04 0.00 0.00 177.00 177.19 1cbw n PRO 9 N -1.72 1.72 -3.94 0.56 -0.04 -1.26 -4.99 135.00 125.33 1cbw n PRO 9 Ca 0.13 0.61 -0.35 0.00 -0.04 0.00 0.00 63.50 63.85 1cbw n PRO 9 Cb 0.50 -2.12 -0.14 0.00 -0.04 0.00 0.00 33.50 31.71 1cbw n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1cbw s TYR 10 N -0.76 3.15 -0.03 0.54 5.04 -1.26 -5.01 117.35 119.02 1cbw s TYR 10 Ca 0.61 -1.68 -0.11 0.00 -2.44 0.00 0.00 57.07 53.45 1cbw s TYR 10 Cb -0.66 -2.08 -0.06 0.00 0.35 0.00 0.00 41.96 39.50 1cbw s TYR 10 CO 0.58 -0.76 0.54 1.15 -1.34 0.00 0.00 175.55 175.72 1cbw h THR 11 N 6.27 0.00 0.00 4.34 2.02 -1.94 -3.44 112.91 120.16 1cbw h THR 11 Ca -0.28 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1cbw h THR 11 Cb 1.09 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1cbw h THR 11 CO 0.56 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.06 1cbw n GLY 12 N 0.57 1.47 0.18 2.16 0.00 -1.26 -1.15 105.19 107.16 1cbw n GLY 12 Ca -0.05 -2.13 0.08 0.00 0.00 0.00 0.00 46.02 43.92 1cbw n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cbw h PRO 13 N 0.00 0.00 -7.24 1.61 0.13 -1.93 -3.44 132.00 121.13 1cbw h PRO 13 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1cbw h PRO 13 Cb 0.00 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.27 1cbw h PRO 13 CO 0.00 0.18 0.34 0.00 -0.23 0.00 0.00 178.00 178.28 1cbw n LYS 15 N -3.12 2.94 -0.35 0.00 4.76 -1.21 -4.49 118.16 116.68 1cbw n LYS 15 Ca 0.11 -2.99 -0.01 0.00 -2.87 0.00 0.00 58.31 52.55 1cbw n LYS 15 Cb 0.52 -1.94 0.01 0.00 -1.84 0.00 0.00 35.03 31.77 1cbw n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cbw n ALA 16 N -0.53 -0.02 -3.21 7.82 0.00 -0.06 -5.06 120.51 119.45 1cbw n ALA 16 Ca 0.29 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.47 1cbw n ALA 16 Cb 1.05 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.44 1cbw n ALA 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1cbw s ARG 17 N -2.81 0.92 -0.08 0.00 3.52 -1.26 -4.42 118.95 114.83 1cbw s ARG 17 Ca 0.02 -1.71 -0.02 0.00 -0.13 0.00 0.00 55.73 53.90 1cbw s ARG 17 Cb -0.00 -0.97 -0.03 0.00 -1.56 0.00 0.00 34.95 32.38 1cbw s ARG 17 CO 0.02 -1.36 0.00 0.42 -0.81 0.00 0.00 175.30 173.57 1cbw s ILE 18 N 0.41 4.31 -0.16 4.11 1.01 -0.64 -4.93 121.20 125.30 1cbw s ILE 18 Ca 0.31 -0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.50 1cbw s ILE 18 Cb 0.01 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 1cbw s ILE 18 CO -0.14 0.60 0.57 -0.63 0.00 0.00 0.00 174.94 175.35 1cbw s ILE 19 N -0.89 5.09 0.32 2.92 1.01 -1.26 -0.05 121.20 128.34 1cbw s ILE 19 Ca 0.13 1.11 0.03 0.00 0.00 0.00 0.00 60.65 61.92 1cbw s ILE 19 Cb -0.11 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1cbw s ILE 19 CO 0.02 0.20 0.11 -0.13 0.00 0.00 0.00 174.94 175.15 1cbw s ARG 20 N 1.34 1.64 -0.04 2.79 1.81 0.15 -4.93 118.95 121.72 1cbw s ARG 20 Ca 0.28 -1.94 0.07 0.00 -1.72 0.00 0.00 55.73 52.43 1cbw s ARG 20 Cb -0.16 -0.47 -0.02 0.00 -0.45 0.00 0.00 34.95 33.85 1cbw s ARG 20 CO 0.11 -0.35 -0.26 0.71 -0.68 0.00 0.00 175.30 174.84 1cbw s TYR 21 N -3.46 2.38 0.44 -0.53 1.51 -0.66 -0.09 117.35 116.94 1cbw s TYR 21 Ca 0.34 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1cbw s TYR 21 Cb 0.06 -1.54 -0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1cbw s TYR 21 CO 0.15 -0.12 0.01 1.97 -1.11 0.00 0.00 175.55 176.46 1cbw n PHE 22 N 2.67 0.94 -4.43 2.71 -1.74 -0.76 -0.39 117.46 116.45 1cbw n PHE 22 Ca -0.17 -2.21 -0.34 0.00 -0.56 0.00 0.00 57.45 54.17 1cbw n PHE 22 Cb 0.51 -0.26 -0.12 0.00 1.52 0.00 0.00 39.48 41.13 1cbw n PHE 22 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1cbw s TYR 23 N -2.64 3.00 -0.63 2.97 5.04 -1.26 -2.43 117.35 121.39 1cbw s TYR 23 Ca 0.02 -0.36 -0.07 0.00 -2.44 0.00 0.00 57.07 54.22 1cbw s TYR 23 Cb 0.00 -1.95 0.16 0.00 0.35 0.00 0.00 41.96 40.53 1cbw s TYR 23 CO 0.01 -0.07 0.49 1.21 -1.34 0.00 0.00 175.55 175.85 1cbw s ASN 24 N 0.40 5.73 0.56 4.32 3.84 -0.46 -4.86 114.94 124.48 1cbw s ASN 24 Ca -0.05 -2.57 0.36 0.00 0.21 0.00 0.00 52.86 50.80 1cbw s ASN 24 Cb -0.14 -1.98 1.49 0.00 -0.55 0.00 0.00 41.25 40.07 1cbw s ASN 24 CO 0.03 -0.50 1.75 0.00 -2.79 0.00 0.00 177.10 175.59 1cbw h ALA 25 N 7.58 3.01 -0.02 1.71 0.00 -1.84 0.11 119.26 129.81 1cbw h ALA 25 Ca -0.03 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 1cbw h ALA 25 Cb 1.00 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1cbw h ALA 25 CO 0.76 -1.45 -0.92 0.87 0.00 0.00 0.00 179.25 178.51 1cbw h LYS 26 N 0.00 0.49 -0.02 0.00 1.57 -1.94 -3.24 116.57 113.43 1cbw h LYS 26 Ca 0.53 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1cbw h LYS 26 Cb 2.27 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.72 1cbw h LYS 26 CO -0.01 1.14 -0.42 0.00 -0.57 0.00 0.00 179.45 179.60 1cbw n ALA 27 N -2.56 3.42 -2.22 3.86 0.00 -0.34 -4.97 120.51 117.69 1cbw n ALA 27 Ca -0.07 -0.64 -0.16 0.00 0.00 0.00 0.00 53.44 52.57 1cbw n ALA 27 Cb 0.82 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 1cbw n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cbw n GLY 28 N 1.38 -0.11 3.38 0.00 0.00 0.24 -4.98 105.19 105.11 1cbw n GLY 28 Ca 0.09 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1cbw n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cbw s LEU 29 N -4.44 0.23 0.06 0.99 0.05 -1.17 -4.59 118.68 109.81 1cbw s LEU 29 Ca 0.00 -0.35 -0.30 0.00 0.05 0.00 0.00 54.13 53.53 1cbw s LEU 29 Cb 0.00 1.97 -0.05 0.00 -2.05 0.00 0.00 46.19 46.07 1cbw s LEU 29 CO 0.00 -0.92 1.03 0.00 -0.55 0.00 0.00 176.35 175.91 1cbw s GLN 31 N 0.62 2.20 0.17 0.00 -0.21 -1.02 -4.95 119.66 116.49 1cbw s GLN 31 Ca 0.52 -2.41 0.08 0.00 0.02 0.00 0.00 55.36 53.56 1cbw s GLN 31 Cb -0.24 -1.52 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 1cbw s GLN 31 CO 0.29 -0.38 -0.06 0.95 -2.12 0.00 0.00 175.29 173.98 1cbw s THR 32 N -2.89 3.41 0.22 -0.19 -4.23 -1.26 -1.83 115.64 108.87 1cbw s THR 32 Ca 0.04 -1.55 -0.18 0.00 -1.18 0.00 0.00 61.69 58.83 1cbw s THR 32 Cb 0.01 -2.70 0.03 0.00 1.34 0.00 0.00 72.50 71.18 1cbw s THR 32 CO 0.02 -0.10 0.58 0.72 -0.54 0.00 0.00 174.62 175.31 1cbw s PHE 33 N -1.69 -0.12 -0.40 3.99 -0.71 0.87 -4.91 117.98 115.01 1cbw s PHE 33 Ca 0.26 -0.25 -0.17 0.00 -1.04 0.00 0.00 56.93 55.73 1cbw s PHE 33 Cb -0.09 0.47 0.01 0.00 -1.21 0.00 0.00 43.02 42.21 1cbw s PHE 33 CO 0.16 -1.01 0.43 0.08 -1.34 0.00 0.00 175.22 173.54 1cbw s VAL 34 N -3.89 5.09 -0.01 -2.49 1.01 -1.25 0.30 120.40 119.15 1cbw s VAL 34 Ca 0.11 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1cbw s VAL 34 Cb -0.02 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1cbw s VAL 34 CO 0.01 -0.36 0.35 -0.47 0.00 0.00 0.00 175.10 174.63 1cbw s TYR 35 N 2.15 3.69 -0.10 5.22 5.04 0.92 -4.55 117.35 129.71 1cbw s TYR 35 Ca 0.13 0.88 0.30 0.00 -2.44 0.00 0.00 57.07 55.94 1cbw s TYR 35 Cb -0.17 -2.20 1.24 0.00 0.35 0.00 0.00 41.96 41.18 1cbw s TYR 35 CO 0.13 0.65 1.89 0.78 -1.34 0.00 0.00 175.55 177.66 1cbw h GLY 36 N 4.63 0.00 0.00 8.97 0.00 -1.34 -1.72 103.07 113.61 1cbw h GLY 36 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1cbw h GLY 36 CO 0.61 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1cbw n GLY 37 N 0.01 2.16 3.26 4.60 0.00 -1.26 -0.88 105.19 113.08 1cbw n GLY 37 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1cbw n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cbw n ARG 39 N -0.13 -1.91 -1.54 0.00 1.74 -1.26 -4.63 116.66 108.92 1cbw n ARG 39 Ca -0.11 0.66 -0.30 0.00 -0.77 0.00 0.00 57.85 57.33 1cbw n ARG 39 Cb 0.63 -4.98 0.10 0.00 -1.02 0.00 0.00 32.46 27.19 1cbw n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cbw s ALA 40 N -3.44 2.11 0.56 7.54 0.00 -1.26 -4.83 121.76 122.44 1cbw s ALA 40 Ca 0.44 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1cbw s ALA 40 Cb -0.11 -3.09 0.05 0.00 0.00 0.00 0.00 23.12 19.97 1cbw s ALA 40 CO 0.80 -1.89 0.44 0.15 0.00 0.00 0.00 175.76 175.27 1cbw s LYS 41 N -5.18 2.24 0.43 0.00 1.02 -1.26 -5.04 119.74 111.94 1cbw s LYS 41 Ca 0.62 -2.05 0.22 0.00 0.02 0.00 0.00 55.97 54.78 1cbw s LYS 41 Cb -0.15 -2.11 0.35 0.00 -0.52 0.00 0.00 37.83 35.40 1cbw s LYS 41 CO 0.54 -0.69 1.61 0.00 -0.92 0.00 0.00 175.35 175.88 1cbw h ARG 42 N 0.66 0.00 -4.68 1.68 3.08 -1.98 -3.35 114.38 109.80 1cbw h ARG 42 Ca -0.36 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.97 1cbw h ARG 42 Cb 1.31 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.22 1cbw h ARG 42 CO 0.56 0.06 1.81 -1.71 -1.07 0.00 0.00 179.97 179.62 1cbw n ASN 43 N -3.12 5.03 -3.15 7.04 2.85 -1.26 -4.70 115.26 117.96 1cbw n ASN 43 Ca 0.04 -2.98 0.05 0.00 -0.11 0.00 0.00 54.58 51.58 1cbw n ASN 43 Cb 0.55 -1.60 -0.01 0.00 1.24 0.00 0.00 39.78 39.96 1cbw n ASN 43 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1cbw s ASN 44 N 2.75 -0.61 0.32 1.20 3.84 -1.24 -4.60 114.94 116.59 1cbw s ASN 44 Ca 0.45 0.17 0.09 0.00 0.21 0.00 0.00 52.86 53.78 1cbw s ASN 44 Cb 0.02 1.43 -0.05 0.00 -0.55 0.00 0.00 41.25 42.10 1cbw s ASN 44 CO 0.01 -0.11 -0.01 -0.36 -2.79 0.00 0.00 177.10 173.84 1cbw s PHE 45 N 2.94 2.55 -0.88 0.43 0.40 0.47 -4.91 117.98 118.98 1cbw s PHE 45 Ca 0.16 -0.38 0.24 0.00 -0.60 0.00 0.00 56.93 56.36 1cbw s PHE 45 Cb -0.06 -1.37 0.33 0.00 0.51 0.00 0.00 43.02 42.43 1cbw s PHE 45 CO -0.19 0.53 1.28 1.63 0.70 0.00 0.00 175.22 179.17 1cbw n LYS 46 N -0.91 0.09 -3.84 0.44 5.02 -1.26 -1.65 118.16 116.05 1cbw n LYS 46 Ca -0.05 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.15 1cbw n LYS 46 Cb 0.61 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 1cbw n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1cbw s SER 47 N -3.33 0.04 0.39 4.39 1.04 -1.26 -4.90 113.70 110.07 1cbw s SER 47 Ca 0.09 -0.40 0.19 0.00 0.48 0.00 0.00 55.95 56.31 1cbw s SER 47 Cb 0.16 0.30 0.77 0.00 0.10 0.00 0.00 66.02 67.36 1cbw s SER 47 CO 0.74 -0.58 1.78 0.00 0.98 0.00 0.00 173.24 176.16 1cbw h ALA 48 N 3.35 1.07 -0.18 5.32 0.00 -1.96 -2.56 119.26 124.30 1cbw h ALA 48 Ca -0.32 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1cbw h ALA 48 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1cbw h ALA 48 CO 0.49 0.43 -0.26 1.49 0.00 0.00 0.00 179.25 181.40 1cbw h GLU 49 N 0.00 0.50 0.24 0.00 4.81 -1.98 0.19 114.58 118.34 1cbw h GLU 49 Ca -0.00 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1cbw h GLU 49 Cb 0.81 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1cbw h GLU 49 CO 0.04 0.89 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.61 1cbw h ASP 50 N 0.15 -0.40 -0.99 1.04 3.32 -1.97 0.34 116.42 117.91 1cbw h ASP 50 Ca 0.02 0.03 0.19 0.00 0.02 0.00 0.00 57.03 57.29 1cbw h ASP 50 Cb 0.83 0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.41 1cbw h ASP 50 CO 0.06 -0.25 0.61 0.00 -1.72 0.00 0.00 179.24 177.94 1cbw h MET 52 N 0.70 0.83 -0.29 0.00 2.86 0.12 -2.41 114.93 116.74 1cbw h MET 52 Ca 0.55 -0.62 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1cbw h MET 52 Cb 0.94 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1cbw h MET 52 CO -0.33 1.24 -0.02 0.00 1.06 0.00 0.00 176.91 178.86 1cbw h ARG 53 N 0.59 0.52 0.20 1.72 3.08 0.60 0.25 114.38 121.34 1cbw h ARG 53 Ca -0.03 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1cbw h ARG 53 Cb 1.32 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1cbw h ARG 53 CO 0.15 0.68 -0.10 1.15 -1.07 0.00 0.00 179.97 180.78 1cbw h THR 54 N 0.30 0.89 -0.30 2.04 2.02 -1.12 -3.36 112.91 113.38 1cbw h THR 54 Ca 0.08 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1cbw h THR 54 Cb 0.46 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1cbw h THR 54 CO 0.02 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.05 1cbw n GLY 56 N 0.85 0.09 3.96 0.00 0.00 0.08 -1.21 105.19 108.96 1cbw n GLY 56 Ca 0.13 0.86 -0.30 0.00 0.00 0.00 0.00 46.02 46.71 1cbw n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cbw n GLY 57 N 4.06 -0.46 0.38 -0.02 0.00 -1.26 -4.86 105.19 103.02 1cbw n GLY 57 Ca 0.31 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.72 1cbw n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32