#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddt s ALA -1 N 0.00 3.33 0.45 4.61 0.00 -1.26 -4.64 121.76 124.25 3ddt s ALA -1 Ca 0.00 1.48 -0.23 0.00 0.00 0.00 0.00 51.96 53.21 3ddt s ALA -1 Cb 0.00 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 3ddt s ALA -1 CO 0.00 -1.14 0.94 -1.33 0.00 0.00 0.00 175.76 174.23 3ddt n MET 0 N 0.00 1.18 0.00 0.00 2.81 -1.26 -1.25 117.12 118.60 3ddt n MET 0 Ca 0.04 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 3ddt n MET 0 Cb 0.41 -1.99 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 3ddt n MET 0 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ddt n GLY 1 N 1.28 2.76 0.00 3.03 0.00 -1.26 -4.71 105.19 106.29 3ddt n GLY 1 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ddt n GLY 1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ddt n SER 2 N 0.00 4.79 -4.65 1.61 2.88 -0.66 -5.02 113.62 112.56 3ddt n SER 2 Ca 0.00 -0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 3ddt n SER 2 Cb 0.00 0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 63.87 3ddt n SER 2 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3ddt s HIS 3 N -2.01 3.35 0.32 0.66 5.04 -0.38 -4.99 115.29 117.28 3ddt s HIS 3 Ca -0.00 1.01 -0.29 0.00 -1.54 0.00 0.00 55.06 54.24 3ddt s HIS 3 Cb 0.00 -2.90 -0.11 0.00 0.04 0.00 0.00 32.58 29.61 3ddt s HIS 3 CO 0.02 -0.27 1.52 -2.14 -2.34 0.00 0.00 174.74 171.54 3ddt s PRO 4 N 2.28 4.15 0.14 2.88 0.02 -1.26 -4.88 135.00 138.33 3ddt s PRO 4 Ca 0.31 2.52 0.03 0.00 0.02 0.00 0.00 61.00 63.89 3ddt s PRO 4 Cb -0.16 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3ddt s PRO 4 CO 0.10 -0.55 0.24 -1.64 -0.33 0.00 0.00 177.00 174.82 3ddt s MET 5 N -1.10 3.31 0.28 5.54 -1.94 -1.26 -1.01 119.30 123.11 3ddt s MET 5 Ca 0.58 -0.65 -0.29 0.00 -1.71 0.00 0.00 55.69 53.62 3ddt s MET 5 Cb -0.46 -2.90 -0.10 0.00 2.01 0.00 0.00 34.83 33.38 3ddt s MET 5 CO 0.53 0.52 1.33 0.00 -0.01 0.00 0.00 175.02 177.39 3ddt h LYS 7 N 4.32 0.68 0.24 0.00 3.64 -1.96 -3.03 116.57 120.47 3ddt h LYS 7 Ca -0.47 -0.17 -0.34 0.00 -1.27 0.00 0.00 60.65 58.40 3ddt h LYS 7 Cb 1.22 -0.09 0.03 0.00 -0.41 0.00 0.00 32.23 32.99 3ddt h LYS 7 CO 0.72 0.70 -1.52 1.49 -2.27 0.00 0.00 179.45 178.56 3ddt h GLU 8 N 0.64 0.51 -3.34 1.90 4.57 -1.98 -3.40 114.58 113.48 3ddt h GLU 8 Ca 0.13 -0.88 -0.66 0.00 -1.18 0.00 0.00 59.36 56.78 3ddt h GLU 8 Cb 0.40 0.33 -0.39 0.00 -0.16 0.00 0.00 28.75 28.92 3ddt h GLU 8 CO 0.01 1.42 -0.50 -1.01 -1.18 0.00 0.00 179.01 177.76 3ddt s HIS 9 N -2.60 3.40 0.64 0.92 3.76 -1.18 -4.96 115.29 115.28 3ddt s HIS 9 Ca -0.10 -3.10 0.37 0.00 -0.15 0.00 0.00 55.06 52.08 3ddt s HIS 9 Cb 0.04 -2.93 2.04 0.00 1.11 0.00 0.00 32.58 32.84 3ddt s HIS 9 CO 0.93 -0.72 2.21 0.93 -0.85 0.00 0.00 174.74 177.24 3ddt h GLU 10 N 6.29 0.00 -0.25 1.40 5.08 -1.76 0.64 114.58 125.98 3ddt h GLU 10 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ddt h GLU 10 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3ddt h GLU 10 CO 0.72 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.48 3ddt n ASP 11 N -3.27 2.81 -4.47 1.42 8.00 -1.26 -4.70 116.55 115.07 3ddt n ASP 11 Ca -0.02 -1.89 -0.34 0.00 0.71 0.00 0.00 54.79 53.25 3ddt n ASP 11 Cb 0.19 -0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 41.01 3ddt n ASP 11 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ddt s GLU 12 N -1.69 3.61 0.48 -1.24 0.41 0.22 -5.03 118.70 115.46 3ddt s GLU 12 Ca 0.35 -0.55 -0.23 0.00 -0.41 0.00 0.00 54.97 54.13 3ddt s GLU 12 Cb 0.21 -2.88 -0.07 0.00 -1.78 0.00 0.00 34.13 29.61 3ddt s GLU 12 CO 0.30 0.21 1.23 0.15 -0.49 0.00 0.00 175.26 176.67 3ddt s LYS 13 N 0.42 3.60 -0.35 1.61 1.02 -1.26 -0.56 119.74 124.22 3ddt s LYS 13 Ca -0.05 1.95 -0.28 0.00 0.02 0.00 0.00 55.97 57.61 3ddt s LYS 13 Cb -0.14 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 3ddt s LYS 13 CO 0.03 -0.73 1.94 0.42 -0.92 0.00 0.00 175.35 176.09 3ddt s ILE 14 N -1.45 3.33 0.00 2.17 -1.09 -0.18 -4.63 121.20 119.35 3ddt s ILE 14 Ca 0.65 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3ddt s ILE 14 Cb -0.33 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 3ddt s ILE 14 CO 0.40 -0.36 0.29 -0.46 -1.23 0.00 0.00 174.94 173.58 3ddt n ASN 15 N 11.31 0.57 -4.31 3.58 6.94 -0.76 -4.90 115.26 127.69 3ddt n ASN 15 Ca 0.25 -1.02 -0.16 0.00 -0.02 0.00 0.00 54.58 53.63 3ddt n ASN 15 Cb 0.48 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.79 3ddt n ASN 15 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3ddt s ILE 16 N -0.02 0.65 -0.13 1.53 -4.36 -0.90 -2.16 121.20 115.81 3ddt s ILE 16 Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 3ddt s ILE 16 Cb 0.00 -2.51 -0.00 0.00 1.25 0.00 0.00 42.46 41.20 3ddt s ILE 16 CO 0.00 -0.13 -0.18 -0.47 0.24 0.00 0.00 174.94 174.40 3ddt s TYR 17 N -3.69 2.71 -0.40 1.37 5.04 0.11 -0.98 117.35 121.52 3ddt s TYR 17 Ca 0.34 -1.04 -0.25 0.00 -2.44 0.00 0.00 57.07 53.68 3ddt s TYR 17 Cb 0.07 -1.82 0.02 0.00 0.35 0.00 0.00 41.96 40.58 3ddt s TYR 17 CO 0.11 -0.45 0.91 0.00 -1.34 0.00 0.00 175.55 174.78 3ddt h LEU 19 N 10.18 0.00 -0.21 0.00 3.38 -1.30 0.34 115.31 127.71 3ddt h LEU 19 Ca -0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.62 3ddt h LEU 19 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ddt h LEU 19 CO 0.99 0.62 -0.30 0.74 0.09 0.00 0.00 178.44 180.57 3ddt h THR 20 N 0.00 1.33 0.00 0.22 2.02 -1.89 -3.28 112.91 111.31 3ddt h THR 20 Ca -0.01 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.67 3ddt h THR 20 Cb 1.14 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 3ddt h THR 20 CO 0.08 0.46 -1.11 0.00 0.37 0.00 0.00 175.52 175.32 3ddt n GLU 22 N -1.95 -6.30 -3.95 0.00 1.02 0.12 -5.03 120.64 104.54 3ddt n GLU 22 Ca 0.02 0.81 -0.10 0.00 -0.02 0.00 0.00 57.16 57.87 3ddt n GLU 22 Cb 0.44 -5.74 -0.11 0.00 -0.02 0.00 0.00 31.44 26.00 3ddt n GLU 22 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ddt s VAL 23 N -3.42 0.09 0.47 2.62 -7.23 -1.00 -4.99 120.40 106.95 3ddt s VAL 23 Ca 0.00 -0.73 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 3ddt s VAL 23 Cb -0.00 -0.22 -0.09 0.00 0.56 0.00 0.00 36.38 36.63 3ddt s VAL 23 CO 0.75 -0.40 1.00 -2.16 -0.31 0.00 0.00 175.10 173.97 3ddt s PRO 24 N -1.19 3.96 0.00 4.82 0.04 -1.26 0.02 135.00 141.40 3ddt s PRO 24 Ca -0.13 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3ddt s PRO 24 Cb -0.08 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3ddt s PRO 24 CO -0.01 -0.27 0.00 -2.37 0.04 0.00 0.00 177.00 174.39 3ddt n THR 25 N -0.99 0.00 -4.46 1.26 5.66 -0.15 -4.85 114.28 110.75 3ddt n THR 25 Ca 0.08 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.84 3ddt n THR 25 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 3ddt n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ddt h SER 27 N 2.19 0.00 0.44 0.00 4.64 -1.92 -1.73 113.55 117.17 3ddt h SER 27 Ca -0.41 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.74 3ddt h SER 27 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3ddt h SER 27 CO 0.62 0.17 -0.73 0.24 -0.87 0.00 0.00 176.83 176.25 3ddt h MET 28 N 0.00 0.24 -0.12 4.77 2.86 -1.95 -0.08 114.93 120.65 3ddt h MET 28 Ca -0.00 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 3ddt h MET 28 Cb 0.44 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3ddt h MET 28 CO 0.02 0.87 -0.05 0.00 1.06 0.00 0.00 176.91 178.81 3ddt h LYS 30 N 0.17 0.51 -0.16 0.00 1.63 -1.07 -1.51 116.57 116.14 3ddt h LYS 30 Ca 0.04 -0.68 -0.17 0.00 -0.85 0.00 0.00 60.65 59.00 3ddt h LYS 30 Cb 0.21 0.22 0.01 0.00 -0.60 0.00 0.00 32.23 32.07 3ddt h LYS 30 CO 0.01 1.29 -0.55 0.28 -3.45 0.00 0.00 179.45 177.03 3ddt h VAL 31 N 0.05 1.32 0.00 2.00 2.07 -0.85 -3.29 116.25 117.56 3ddt h VAL 31 Ca -0.15 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.57 3ddt h VAL 31 Cb 1.72 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 3ddt h VAL 31 CO 0.19 0.56 0.00 0.49 0.02 0.00 0.00 177.57 178.83 3ddt n PHE 32 N -4.14 0.00 -1.96 1.57 3.72 0.27 -4.91 117.46 112.01 3ddt n PHE 32 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3ddt n PHE 32 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 3ddt n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ddt n GLY 33 N 0.52 4.89 0.14 1.37 0.00 -0.65 -4.98 105.19 106.48 3ddt n GLY 33 Ca 0.00 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.33 3ddt n GLY 33 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3ddt h ILE 34 N 0.00 0.00 -0.56 -0.61 3.07 -1.87 -2.38 117.51 115.15 3ddt h ILE 34 Ca 0.00 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 66.08 3ddt h ILE 34 Cb 0.00 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.71 3ddt h ILE 34 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 3ddt n HIS 35 N -2.32 2.01 -0.19 0.16 8.25 -0.72 -4.63 115.22 117.78 3ddt n HIS 35 Ca 0.03 -0.70 0.08 0.00 -0.26 0.00 0.00 57.72 56.87 3ddt n HIS 35 Cb 0.30 -0.49 0.37 0.00 1.12 0.00 0.00 29.99 31.28 3ddt n HIS 35 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3ddt h LYS 36 N 3.90 0.69 -0.01 -0.41 3.64 -1.44 -1.06 116.57 121.90 3ddt h LYS 36 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3ddt h LYS 36 Cb 1.92 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 3ddt h LYS 36 CO 0.47 0.46 -0.16 0.00 -2.27 0.00 0.00 179.45 177.95 3ddt n ALA 37 N -2.45 2.88 -2.14 5.00 0.00 -1.26 -4.95 120.51 117.59 3ddt n ALA 37 Ca 0.12 -0.34 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 3ddt n ALA 37 Cb 0.28 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 3ddt n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ddt s GLU 39 N -4.19 4.43 0.20 0.00 2.12 -1.26 -5.00 118.70 114.99 3ddt s GLU 39 Ca 0.51 1.19 0.03 0.00 0.36 0.00 0.00 54.97 57.06 3ddt s GLU 39 Cb -0.10 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 3ddt s GLU 39 CO 0.36 -0.17 -0.00 0.14 -0.54 0.00 0.00 175.26 175.05 3ddt s VAL 40 N 1.54 0.85 0.02 3.70 -7.23 -1.26 -0.88 120.40 117.14 3ddt s VAL 40 Ca 0.44 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 3ddt s VAL 40 Cb -0.18 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 3ddt s VAL 40 CO 0.19 -0.41 0.09 0.00 -0.31 0.00 0.00 175.10 174.67 3ddt s ALA 41 N -3.54 -0.13 0.55 1.32 0.00 -0.20 -4.90 121.76 114.85 3ddt s ALA 41 Ca 0.26 -0.42 -0.20 0.00 0.00 0.00 0.00 51.96 51.60 3ddt s ALA 41 Cb 0.06 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 3ddt s ALA 41 CO 0.06 -0.26 1.20 -2.14 0.00 0.00 0.00 175.76 174.62 3ddt s PRO 42 N -2.05 3.24 0.08 0.00 0.02 -1.26 0.06 135.00 135.09 3ddt s PRO 42 Ca -0.10 1.82 -0.13 0.00 0.02 0.00 0.00 61.00 62.61 3ddt s PRO 42 Cb -0.04 -2.08 -0.21 0.00 0.02 0.00 0.00 34.50 32.18 3ddt s PRO 42 CO -0.02 -0.99 1.22 -0.07 -0.33 0.00 0.00 177.00 176.81 3ddt h LEU 43 N 1.26 0.91 0.00 -5.54 3.38 -1.73 -3.43 115.31 110.16 3ddt h LEU 43 Ca -0.50 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 56.77 3ddt h LEU 43 Cb 1.28 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ddt h LEU 43 CO 0.57 1.50 0.00 0.00 0.09 0.00 0.00 178.44 180.60 3ddt n GLN 44 N -3.87 0.00 -0.37 1.13 1.13 -1.26 -5.08 117.38 109.06 3ddt n GLN 44 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 3ddt n GLN 44 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.21 3ddt n GLN 44 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05