#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddt n SER 2 N 0.00 0.00 -4.73 1.61 2.88 -1.26 -5.10 113.62 107.02 3ddt n SER 2 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 3ddt n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.00 2.86 0.25 0.66 5.04 -1.26 -4.93 115.29 117.92 3ddt s HIS 3 Ca 0.00 0.58 -0.31 0.00 -1.54 0.00 0.00 55.06 53.79 3ddt s HIS 3 Cb 0.00 -4.08 -0.11 0.00 0.04 0.00 0.00 32.58 28.43 3ddt s HIS 3 CO 0.00 -3.87 1.62 -2.14 -2.34 0.00 0.00 174.74 168.01 3ddt s PRO 4 N 0.42 4.14 0.13 2.88 0.02 -1.26 -4.93 135.00 136.40 3ddt s PRO 4 Ca 0.69 2.55 0.07 0.00 0.02 0.00 0.00 61.00 64.33 3ddt s PRO 4 Cb -0.48 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 3ddt s PRO 4 CO 0.39 -0.65 -0.07 -1.64 -0.33 0.00 0.00 177.00 174.70 3ddt s MET 5 N 0.13 2.22 0.30 5.54 -1.94 -1.26 -0.55 119.30 123.74 3ddt s MET 5 Ca 0.67 -1.07 -0.29 0.00 -1.71 0.00 0.00 55.69 53.29 3ddt s MET 5 Cb -0.48 -2.32 -0.10 0.00 2.01 0.00 0.00 34.83 33.95 3ddt s MET 5 CO 0.42 0.49 1.25 0.00 -0.01 0.00 0.00 175.02 177.16 3ddt h LYS 7 N 3.74 0.90 0.00 0.00 1.79 -1.96 -3.06 116.57 117.97 3ddt h LYS 7 Ca -0.48 -0.28 -0.11 0.00 -2.18 0.00 0.00 60.65 57.60 3ddt h LYS 7 Cb 1.22 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 3ddt h LYS 7 CO 0.67 0.92 -0.83 0.93 -1.08 0.00 0.00 179.45 180.07 3ddt h GLU 8 N 0.82 0.00 -2.65 3.15 4.39 -1.99 -3.40 114.58 114.90 3ddt h GLU 8 Ca 0.14 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.24 3ddt h GLU 8 Cb 0.56 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.80 3ddt h GLU 8 CO 0.03 0.35 -0.76 0.72 -1.16 0.00 0.00 179.01 178.20 3ddt n HIS 9 N -3.05 1.58 0.24 4.33 8.25 -1.17 -4.98 115.22 120.42 3ddt n HIS 9 Ca -0.02 -3.89 0.17 0.00 -0.26 0.00 0.00 57.72 53.71 3ddt n HIS 9 Cb 0.74 -0.29 0.76 0.00 1.12 0.00 0.00 29.99 32.32 3ddt n HIS 9 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3ddt h GLU 10 N 5.23 0.00 -0.14 -0.41 5.08 -1.76 0.41 114.58 122.98 3ddt h GLU 10 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3ddt h GLU 10 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3ddt h GLU 10 CO 0.59 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.35 3ddt n ASP 11 N -3.18 2.93 -4.68 1.42 8.00 -1.26 -4.74 116.55 115.03 3ddt n ASP 11 Ca 0.02 -1.94 -0.35 0.00 0.71 0.00 0.00 54.79 53.23 3ddt n ASP 11 Cb 0.50 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.42 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 -1.84 3.34 0.32 -1.24 0.41 0.14 -5.04 118.70 114.80 3ddt s GLU 12 Ca 0.32 -0.36 -0.27 0.00 -0.41 0.00 0.00 54.97 54.25 3ddt s GLU 12 Cb 0.21 -2.96 -0.09 0.00 -1.78 0.00 0.00 34.13 29.51 3ddt s GLU 12 CO 0.31 0.57 1.02 0.15 -0.49 0.00 0.00 175.26 176.82 3ddt s LYS 13 N -0.51 4.52 -0.04 1.61 1.02 -1.26 -1.09 119.74 124.00 3ddt s LYS 13 Ca 0.09 1.54 -0.30 0.00 0.02 0.00 0.00 55.97 57.33 3ddt s LYS 13 Cb -0.12 -2.92 -0.07 0.00 -0.52 0.00 0.00 37.83 34.21 3ddt s LYS 13 CO 0.02 0.18 1.88 0.42 -0.92 0.00 0.00 175.35 176.93 3ddt s ILE 14 N -1.43 3.22 0.00 2.17 1.01 0.29 -4.61 121.20 121.86 3ddt s ILE 14 Ca 0.49 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3ddt s ILE 14 Cb -0.25 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3ddt s ILE 14 CO 0.31 -0.04 0.00 -0.46 0.00 0.00 0.00 174.94 174.75 3ddt n ASN 15 N 7.97 0.00 -4.23 3.58 6.94 -0.57 -4.89 115.26 124.07 3ddt n ASN 15 Ca 0.20 -0.92 -0.13 0.00 -0.02 0.00 0.00 54.58 53.71 3ddt n ASN 15 Cb 0.42 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.74 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 0.00 0.36 -0.12 1.53 -4.36 -0.78 -2.95 121.20 114.87 3ddt s ILE 16 Ca 0.00 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 3ddt s ILE 16 Cb 0.00 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.41 3ddt s ILE 16 CO 0.00 -0.25 -0.22 -0.47 0.24 0.00 0.00 174.94 174.23 3ddt s TYR 17 N -3.88 2.61 -0.36 1.37 5.04 0.11 -0.76 117.35 121.48 3ddt s TYR 17 Ca 0.31 -1.23 -0.25 0.00 -2.44 0.00 0.00 57.07 53.45 3ddt s TYR 17 Cb 0.07 -1.76 0.01 0.00 0.35 0.00 0.00 41.96 40.63 3ddt s TYR 17 CO 0.08 -0.54 0.90 0.00 -1.34 0.00 0.00 175.55 174.65 3ddt h LEU 19 N 9.97 0.17 -0.23 0.00 3.38 -1.24 0.62 115.31 127.99 3ddt h LEU 19 Ca -0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 3ddt h LEU 19 Cb 1.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3ddt h LEU 19 CO 0.97 0.99 -0.01 0.74 0.09 0.00 0.00 178.44 181.22 3ddt h THR 20 N 0.06 1.26 0.00 0.22 2.02 -1.87 -3.25 112.91 111.35 3ddt h THR 20 Ca -0.04 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.23 3ddt h THR 20 Cb 1.56 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 3ddt h THR 20 CO 0.13 0.28 -0.81 0.00 0.37 0.00 0.00 175.52 175.49 3ddt n GLU 22 N -1.53 -4.55 -3.82 0.00 -0.58 0.21 -5.02 120.64 105.36 3ddt n GLU 22 Ca 0.04 0.66 -0.12 0.00 -0.42 0.00 0.00 57.16 57.33 3ddt n GLU 22 Cb 0.34 -5.24 -0.11 0.00 -0.57 0.00 0.00 31.44 25.86 3ddt n GLU 22 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3ddt s VAL 23 N -3.58 0.04 0.47 2.62 -7.23 -0.91 -4.98 120.40 106.83 3ddt s VAL 23 Ca 0.09 -0.35 -0.22 0.00 -1.81 0.00 0.00 61.98 59.69 3ddt s VAL 23 Cb -0.02 -0.41 -0.07 0.00 0.56 0.00 0.00 36.38 36.43 3ddt s VAL 23 CO 0.80 -0.19 1.14 -2.16 -0.31 0.00 0.00 175.10 174.38 3ddt s PRO 24 N -0.71 3.70 0.00 4.82 0.04 -1.26 0.03 135.00 141.62 3ddt s PRO 24 Ca -0.08 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3ddt s PRO 24 Cb -0.04 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3ddt s PRO 24 CO 0.01 -0.58 0.00 -2.37 0.04 0.00 0.00 177.00 174.11 3ddt n THR 25 N -0.66 0.00 -4.42 1.26 5.66 0.06 -4.85 114.28 111.34 3ddt n THR 25 Ca 0.08 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.86 3ddt n THR 25 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 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 2.47 0.00 0.34 0.00 4.64 -1.91 -1.67 113.55 117.41 3ddt h SER 27 Ca -0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.81 3ddt h SER 27 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3ddt h SER 27 CO 0.59 0.16 -0.45 0.24 -0.87 0.00 0.00 176.83 176.50 3ddt h MET 28 N 0.00 0.15 -0.07 4.77 2.86 -1.95 0.84 114.93 121.53 3ddt h MET 28 Ca -0.00 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 3ddt h MET 28 Cb 0.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3ddt h MET 28 CO 0.02 0.58 -0.20 0.00 1.06 0.00 0.00 176.91 178.37 3ddt h LYS 30 N 0.11 0.43 -0.13 0.00 1.63 -1.22 -1.08 116.57 116.32 3ddt h LYS 30 Ca 0.02 -0.59 -0.06 0.00 -0.85 0.00 0.00 60.65 59.18 3ddt h LYS 30 Cb 0.41 0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 3ddt h LYS 30 CO 0.03 1.24 -0.13 0.28 -3.45 0.00 0.00 179.45 177.41 3ddt h VAL 31 N -0.09 1.35 0.00 2.00 2.07 -0.74 -3.31 116.25 117.54 3ddt h VAL 31 Ca -0.14 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.08 3ddt h VAL 31 Cb 1.62 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3ddt h VAL 31 CO 0.17 0.38 -1.04 0.49 0.02 0.00 0.00 177.57 177.58 3ddt n PHE 32 N -4.58 0.00 -1.10 1.57 3.72 -0.40 -4.92 117.46 111.75 3ddt n PHE 32 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3ddt n PHE 32 Cb 0.35 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 2.43 3.19 0.19 1.37 0.00 -0.52 -4.93 105.19 106.93 3ddt n GLY 33 Ca -0.00 -1.83 0.14 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 -0.55 -0.61 3.07 -1.87 -2.34 117.51 115.21 3ddt h ILE 34 Ca 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.17 3ddt h ILE 34 Cb 0.00 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 37.57 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 -2.51 1.74 -0.31 0.16 8.25 -0.57 -4.63 115.22 117.34 3ddt n HIS 35 Ca 0.01 -0.72 0.05 0.00 -0.26 0.00 0.00 57.72 56.80 3ddt n HIS 35 Cb 0.20 -0.41 0.25 0.00 1.12 0.00 0.00 29.99 31.16 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 3.68 0.98 -0.00 -0.41 3.64 -1.36 -0.81 116.57 122.28 3ddt h LYS 36 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3ddt h LYS 36 Cb 1.75 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3ddt h LYS 36 CO 0.38 0.65 -0.13 0.00 -2.27 0.00 0.00 179.45 178.07 3ddt n ALA 37 N -2.39 2.75 -1.97 5.00 0.00 -1.26 -4.95 120.51 117.69 3ddt n ALA 37 Ca 0.15 -0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3ddt n ALA 37 Cb 0.24 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 -5.15 4.38 0.20 0.00 2.12 -1.26 -4.99 118.70 113.99 3ddt s GLU 39 Ca 0.55 0.82 0.03 0.00 0.36 0.00 0.00 54.97 56.73 3ddt s GLU 39 Cb -0.11 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 3ddt s GLU 39 CO 0.50 -0.02 -0.01 0.14 -0.54 0.00 0.00 175.26 175.32 3ddt s VAL 40 N 1.12 0.90 0.04 3.70 -7.23 -1.26 -0.76 120.40 116.92 3ddt s VAL 40 Ca 0.35 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 3ddt s VAL 40 Cb -0.17 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 3ddt s VAL 40 CO 0.15 -0.44 0.12 0.00 -0.31 0.00 0.00 175.10 174.63 3ddt s ALA 41 N -3.51 -0.13 0.55 1.32 0.00 0.05 -4.91 121.76 115.13 3ddt s ALA 41 Ca 0.25 -0.51 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 3ddt s ALA 41 Cb 0.05 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.39 3ddt s ALA 41 CO 0.06 -0.34 1.07 -2.14 0.00 0.00 0.00 175.76 174.41 3ddt s PRO 42 N -2.70 3.45 0.14 0.00 0.02 -1.26 0.10 135.00 134.75 3ddt s PRO 42 Ca -0.04 1.35 -0.02 0.00 0.02 0.00 0.00 61.00 62.31 3ddt s PRO 42 Cb -0.01 -2.04 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 3ddt s PRO 42 CO -0.05 -0.72 1.32 -0.07 -0.33 0.00 0.00 177.00 177.15 3ddt h LEU 43 N 0.95 0.43 0.00 -5.54 3.38 -1.85 -3.43 115.31 109.25 3ddt h LEU 43 Ca -0.48 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.14 3ddt h LEU 43 Cb 1.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3ddt h LEU 43 CO 0.58 1.15 0.00 0.00 0.09 0.00 0.00 178.44 180.26