#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2boh n LYS -2 N 0.00 0.00 0.00 5.56 4.81 -1.26 -4.53 118.16 122.73 2boh n LYS -2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2boh n LYS -2 Cb 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 34.83 2boh n LYS -2 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2boh n LEU -1 N -2.42 0.00 0.04 3.14 4.77 -1.26 -4.28 117.00 117.00 2boh n LEU -1 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2boh n LEU -1 Cb 0.00 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 2boh n LEU -1 CO 0.00 0.00 0.66 0.00 -1.33 0.00 0.00 177.39 176.72 2boh n SER 2 N -1.71 0.66 -4.29 0.00 7.64 -1.26 -3.28 113.62 111.37 2boh n SER 2 Ca 0.01 0.13 -0.45 0.00 1.01 0.00 0.00 58.87 59.57 2boh n SER 2 Cb 0.08 0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 2boh n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2boh s LEU 3 N -4.04 6.05 -1.57 -3.43 2.96 0.10 -4.57 118.68 114.18 2boh s LEU 3 Ca 0.08 -1.78 -0.13 0.00 -0.22 0.00 0.00 54.13 52.07 2boh s LEU 3 Cb 0.14 -2.17 0.10 0.00 0.50 0.00 0.00 46.19 44.76 2boh s LEU 3 CO 0.70 -0.81 0.83 -0.67 -1.32 0.00 0.00 176.35 175.07 2boh n ASP 4 N 5.18 -3.48 -2.08 3.68 2.03 -1.26 -1.06 116.55 119.55 2boh n ASP 4 Ca -0.13 -0.90 -0.19 0.00 0.52 0.00 0.00 54.79 54.10 2boh n ASP 4 Cb 0.40 -3.37 -0.04 0.00 -0.72 0.00 0.00 41.12 37.40 2boh n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2boh n ASN 5 N -2.80 -5.23 -0.78 1.67 5.15 -1.21 -1.51 115.26 110.56 2boh n ASN 5 Ca -0.01 0.20 -0.10 0.00 -0.60 0.00 0.00 54.58 54.07 2boh n ASN 5 Cb 0.54 -4.48 -0.04 0.00 -0.53 0.00 0.00 39.78 35.27 2boh n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2boh n GLY 6 N -0.73 1.05 2.27 8.20 0.00 -0.23 -1.69 105.19 114.06 2boh n GLY 6 Ca -0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 2boh n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2boh n ASP 7 N -0.80 -3.84 -4.83 1.61 2.03 -0.57 -4.99 116.55 105.17 2boh n ASP 7 Ca -0.10 0.02 -0.33 0.00 0.52 0.00 0.00 54.79 54.90 2boh n ASP 7 Cb 0.50 -1.42 -0.07 0.00 -0.72 0.00 0.00 41.12 39.42 2boh n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2boh h ASP 9 N 1.87 0.68 0.00 0.00 5.19 -1.65 -3.48 116.42 119.03 2boh h ASP 9 Ca -0.49 -0.51 0.00 0.00 -0.62 0.00 0.00 57.03 55.41 2boh h ASP 9 Cb 1.18 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2boh h ASP 9 CO 0.62 1.30 0.00 0.00 -3.12 0.00 0.00 179.24 178.04 2boh n GLN 10 N -3.81 0.00 -1.87 3.56 6.02 -1.26 -5.00 117.38 115.01 2boh n GLN 10 Ca -0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.50 2boh n GLN 10 Cb 0.82 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.06 2boh n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2boh s PHE 11 N 2.51 2.88 -0.06 1.08 0.08 -0.97 -4.91 117.98 118.59 2boh s PHE 11 Ca 0.00 0.85 0.02 0.00 0.12 0.00 0.00 56.93 57.92 2boh s PHE 11 Cb 0.00 -3.97 0.01 0.00 -0.57 0.00 0.00 43.02 38.49 2boh s PHE 11 CO 0.00 -3.26 -0.12 0.00 -0.10 0.00 0.00 175.22 171.74 2boh s HIS 13 N 0.56 0.01 -0.47 0.00 -3.43 -0.58 -4.99 115.29 106.38 2boh s HIS 13 Ca -0.12 -0.01 -0.19 0.00 -0.80 0.00 0.00 55.06 53.94 2boh s HIS 13 Cb -0.15 -0.01 0.04 0.00 -1.43 0.00 0.00 32.58 31.03 2boh s HIS 13 CO 0.03 -0.02 0.58 -1.21 -2.00 0.00 0.00 174.74 172.11 2boh s GLU 14 N -0.12 3.14 -0.28 -0.38 2.02 -1.26 -1.18 118.70 120.64 2boh s GLU 14 Ca -0.01 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.12 2boh s GLU 14 Cb -0.01 -4.04 -0.01 0.00 0.10 0.00 0.00 34.13 30.17 2boh s GLU 14 CO -0.00 -1.09 0.09 -1.21 0.02 0.00 0.00 175.26 173.08 2boh s GLU 15 N 2.51 3.44 -1.48 1.61 2.02 -1.14 -4.59 118.70 121.07 2boh s GLU 15 Ca 0.15 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.49 2boh s GLU 15 Cb -0.18 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.66 2boh s GLU 15 CO 0.13 -0.31 0.16 1.04 0.02 0.00 0.00 175.26 176.31 2boh n GLN 16 N 4.93 -1.42 -0.94 1.61 1.13 -1.26 -4.27 117.38 117.16 2boh n GLN 16 Ca -0.15 0.17 0.11 0.00 -1.94 0.00 0.00 57.00 55.19 2boh n GLN 16 Cb 0.50 -3.71 -0.06 0.00 0.11 0.00 0.00 30.24 27.08 2boh n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2boh n ASN 17 N -2.85 -5.20 -0.13 1.08 2.85 -1.26 -5.05 115.26 104.70 2boh n ASN 17 Ca -0.30 0.89 0.00 0.00 -0.11 0.00 0.00 54.58 55.06 2boh n ASN 17 Cb 0.68 -3.18 -0.00 0.00 1.24 0.00 0.00 39.78 38.52 2boh n ASN 17 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2boh n SER 18 N -3.55 -0.72 -4.84 1.20 2.88 -1.26 -4.97 113.62 102.36 2boh n SER 18 Ca -0.05 0.16 -0.36 0.00 -1.33 0.00 0.00 58.87 57.28 2boh n SER 18 Cb 0.44 0.45 -0.06 0.00 -0.75 0.00 0.00 64.21 64.30 2boh n SER 18 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2boh s VAL 19 N -4.09 4.88 -0.08 2.46 1.01 -1.26 -2.91 120.40 120.41 2boh s VAL 19 Ca 0.00 0.87 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 2boh s VAL 19 Cb 0.00 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2boh s VAL 19 CO 0.00 0.36 -0.03 -0.69 0.00 0.00 0.00 175.10 174.74 2boh s VAL 20 N -1.33 0.64 0.13 2.92 1.01 -0.32 -4.94 120.40 118.52 2boh s VAL 20 Ca 0.33 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2boh s VAL 20 Cb -0.16 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2boh s VAL 20 CO 0.18 0.30 0.28 0.00 0.00 0.00 0.00 175.10 175.87 2boh s SER 22 N -3.01 0.21 0.22 0.00 1.04 -0.66 -4.94 113.70 106.56 2boh s SER 22 Ca 0.35 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.67 2boh s SER 22 Cb -0.12 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 2boh s SER 22 CO 0.28 -1.19 0.03 0.00 0.98 0.00 0.00 173.24 173.34 2boh s ALA 24 N -3.61 2.40 0.29 0.00 0.00 -1.26 -4.91 121.76 114.67 2boh s ALA 24 Ca 0.29 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 2boh s ALA 24 Cb 0.06 -3.18 -0.12 0.00 0.00 0.00 0.00 23.12 19.89 2boh s ALA 24 CO 0.08 -1.55 1.54 0.54 0.00 0.00 0.00 175.76 176.38 2boh n ARG 25 N -3.34 2.56 0.00 0.00 1.74 -1.26 -1.89 116.66 114.47 2boh n ARG 25 Ca 0.08 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.06 2boh n ARG 25 Cb 0.54 -2.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.33 2boh n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2boh n GLY 26 N 1.97 0.45 3.26 -0.13 0.00 -1.26 -4.67 105.19 104.81 2boh n GLY 26 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2boh n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2boh s TYR 27 N -2.00 1.47 -0.01 1.61 1.51 -0.79 0.65 117.35 119.78 2boh s TYR 27 Ca 0.00 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 2boh s TYR 27 Cb 0.00 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.09 2boh s TYR 27 CO 0.00 0.18 -0.16 0.95 -1.11 0.00 0.00 175.55 175.41 2boh s THR 28 N -2.31 1.26 0.18 -0.71 -4.23 0.68 -4.77 115.64 105.73 2boh s THR 28 Ca 0.12 -0.68 -0.31 0.00 -1.18 0.00 0.00 61.69 59.63 2boh s THR 28 Cb -0.04 -1.05 -0.10 0.00 1.34 0.00 0.00 72.50 72.65 2boh s THR 28 CO 0.04 0.36 1.55 -0.22 -0.54 0.00 0.00 174.62 175.80 2boh s LEU 29 N -0.36 4.37 1.14 4.79 2.96 -1.26 -0.69 118.68 129.63 2boh s LEU 29 Ca 0.06 2.62 -0.17 0.00 -0.22 0.00 0.00 54.13 56.42 2boh s LEU 29 Cb -0.06 -3.60 0.26 0.00 0.50 0.00 0.00 46.19 43.29 2boh s LEU 29 CO -0.01 -0.81 1.12 0.00 -1.32 0.00 0.00 176.35 175.33 2boh s ALA 30 N 1.00 0.79 0.44 5.97 0.00 0.24 -4.85 121.76 125.35 2boh s ALA 30 Ca 0.69 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.91 2boh s ALA 30 Cb -0.43 -2.93 0.97 0.00 0.00 0.00 0.00 23.12 20.72 2boh s ALA 30 CO 0.33 -3.34 2.05 -0.44 0.00 0.00 0.00 175.76 174.36 2boh h ASP 31 N -2.37 0.27 0.00 0.00 3.32 -1.94 0.08 116.42 115.79 2boh h ASP 31 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2boh h ASP 31 Cb 1.30 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2boh h ASP 31 CO 0.40 0.25 0.00 -0.46 -1.72 0.00 0.00 179.24 177.71 2boh n ASN 32 N -4.45 0.00 -2.09 6.45 0.23 -1.26 -4.86 115.26 109.28 2boh n ASN 32 Ca 0.00 -1.03 -0.18 0.00 -0.53 0.00 0.00 54.58 52.84 2boh n ASN 32 Cb 0.12 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.78 2boh n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2boh n GLY 33 N 0.46 0.32 1.64 4.83 0.00 0.02 -4.76 105.19 107.70 2boh n GLY 33 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2boh n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2boh n LYS 34 N -2.69 0.00 -1.74 1.61 5.02 -1.26 -4.29 118.16 114.81 2boh n LYS 34 Ca -0.21 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.76 2boh n LYS 34 Cb 0.64 -0.17 0.04 0.00 -0.02 0.00 0.00 35.03 35.53 2boh n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2boh s ALA 35 N -1.97 2.60 -0.14 7.82 0.00 -1.26 -1.71 121.76 127.09 2boh s ALA 35 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.30 2boh s ALA 35 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2boh s ALA 35 CO 0.00 -1.15 -0.19 0.00 0.00 0.00 0.00 175.76 174.41 2boh s ILE 37 N 0.75 3.88 0.24 0.00 -1.09 0.13 -4.88 121.20 120.23 2boh s ILE 37 Ca -0.08 -0.38 -0.31 0.00 -2.23 0.00 0.00 60.65 57.66 2boh s ILE 37 Cb -0.16 -2.67 -0.11 0.00 -1.58 0.00 0.00 42.46 37.94 2boh s ILE 37 CO 0.00 0.53 1.62 -2.84 -1.23 0.00 0.00 174.94 173.02 2boh s PRO 38 N -0.02 4.15 0.15 2.79 0.02 -1.26 -0.23 135.00 140.59 2boh s PRO 38 Ca 0.01 2.53 -0.08 0.00 0.02 0.00 0.00 61.00 63.48 2boh s PRO 38 Cb -0.13 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 2boh s PRO 38 CO 0.03 -0.65 1.43 1.15 -0.33 0.00 0.00 177.00 178.63 2boh h THR 39 N 3.64 1.29 -1.04 0.99 2.02 -0.12 -3.46 112.91 116.23 2boh h THR 39 Ca -0.45 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 64.95 2boh h THR 39 Cb 1.21 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 2boh h THR 39 CO 0.87 0.57 0.00 0.61 0.37 0.00 0.00 175.52 177.94 2boh n GLY 40 N 0.36 3.76 3.79 2.16 0.00 -1.26 -5.08 105.19 108.91 2boh n GLY 40 Ca -0.04 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 2boh n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2boh s PRO 41 N 0.88 3.98 -1.12 1.61 0.04 -1.26 -4.15 135.00 134.99 2boh s PRO 41 Ca 0.00 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 2boh s PRO 41 Cb 0.00 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2boh s PRO 41 CO 0.00 -0.29 0.93 0.66 0.04 0.00 0.00 177.00 178.34 2boh n TYR 42 N -0.49 -2.32 -2.16 0.56 4.01 -1.26 -4.98 117.16 110.51 2boh n TYR 42 Ca 0.07 0.87 -0.34 0.00 -0.16 0.00 0.00 57.90 58.34 2boh n TYR 42 Cb 0.51 -4.46 0.01 0.00 -0.31 0.00 0.00 39.34 35.09 2boh n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2boh s PRO 43 N -4.87 3.29 0.71 -0.72 0.04 -1.26 -4.97 135.00 127.22 2boh s PRO 43 Ca 0.28 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 2boh s PRO 43 Cb -0.04 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2boh s PRO 43 CO 0.74 -0.87 1.22 0.00 0.04 0.00 0.00 177.00 178.13 2boh n GLY 45 N 0.83 0.48 3.41 0.00 0.00 -1.26 -5.01 105.19 103.64 2boh n GLY 45 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2boh n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2boh s LYS 46 N -0.45 3.51 0.24 1.61 -0.14 -1.22 -5.08 119.74 118.20 2boh s LYS 46 Ca 0.00 -0.59 -0.30 0.00 -1.36 0.00 0.00 55.97 53.72 2boh s LYS 46 Cb 0.00 -2.91 -0.10 0.00 -1.68 0.00 0.00 37.83 33.15 2boh s LYS 46 CO 0.00 0.07 1.38 -0.65 -0.76 0.00 0.00 175.35 175.39 2boh s GLN 47 N 0.79 4.32 -0.23 1.68 -0.21 -1.26 -4.92 119.66 119.83 2boh s GLN 47 Ca -0.02 2.21 -0.29 0.00 0.02 0.00 0.00 55.36 57.28 2boh s GLN 47 Cb -0.15 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 30.71 2boh s GLN 47 CO 0.02 -0.34 1.44 0.95 -2.12 0.00 0.00 175.29 175.24 2boh s THR 48 N -0.06 3.95 -0.66 -0.19 -4.23 -1.26 -4.87 115.64 108.32 2boh s THR 48 Ca 0.57 1.10 0.24 0.00 -1.18 0.00 0.00 61.69 62.42 2boh s THR 48 Cb -0.40 -3.91 0.01 0.00 1.34 0.00 0.00 72.50 69.54 2boh s THR 48 CO 0.42 -0.32 1.26 0.18 -0.54 0.00 0.00 174.62 175.62 2boh n LEU 49 N 7.73 0.66 -3.77 4.79 4.32 -1.26 -4.96 117.00 124.51 2boh n LEU 49 Ca 0.16 0.15 -0.05 0.00 -0.02 0.00 0.00 56.01 56.25 2boh n LEU 49 Cb 0.45 -0.17 -0.02 0.00 -1.62 0.00 0.00 43.42 42.07 2boh n LEU 49 CO 0.62 -0.02 0.63 -1.83 -1.22 0.00 0.00 177.39 175.57 2boh s GLU 50 N -3.16 1.37 0.00 3.23 -1.05 -1.26 -5.33 118.70 112.50 2boh s GLU 50 Ca 0.06 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 54.14 2boh s GLU 50 Cb 0.14 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 2boh s GLU 50 CO 0.74 -0.63 0.00 0.54 0.95 0.00 0.00 175.26 176.86