#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s PRO 7 N 0.00 3.71 0.03 0.00 0.04 -1.26 -4.99 135.00 132.53 3ag3 s PRO 7 Ca 0.00 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.18 3ag3 s PRO 7 Cb 0.00 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3ag3 s PRO 7 CO 0.00 -0.70 0.04 -0.40 0.04 0.00 0.00 177.00 175.98 3ag3 n ASP 8 N -0.28 0.14 -0.28 6.66 3.85 -1.26 -4.90 116.55 120.47 3ag3 n ASP 8 Ca 0.06 -1.08 0.06 0.00 -0.71 0.00 0.00 54.79 53.12 3ag3 n ASP 8 Cb 0.44 -0.02 0.21 0.00 -1.35 0.00 0.00 41.12 40.40 3ag3 n ASP 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3ag3 h PHE 9 N 0.02 0.71 -0.46 2.11 3.57 -1.99 -2.34 116.94 118.56 3ag3 h PHE 9 Ca -0.01 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 3ag3 h PHE 9 Cb 0.06 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3ag3 h PHE 9 CO 0.00 0.16 -0.22 0.45 -2.23 0.00 0.00 178.31 176.47 3ag3 h HIS 10 N 0.59 1.08 -0.43 0.41 3.86 -1.95 0.24 115.15 118.94 3ag3 h HIS 10 Ca 0.44 -0.26 -0.11 0.00 -1.16 0.00 0.00 60.37 59.28 3ag3 h HIS 10 Cb 0.63 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3ag3 h HIS 10 CO -0.11 1.06 -0.17 -0.44 0.86 0.00 0.00 177.93 179.14 3ag3 h ASP 11 N 0.81 0.90 -0.05 2.45 3.32 -1.83 0.12 116.42 122.14 3ag3 h ASP 11 Ca 0.10 -0.39 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 3ag3 h ASP 11 Cb 0.79 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3ag3 h ASP 11 CO 0.07 1.09 -0.15 0.11 -1.72 0.00 0.00 179.24 178.63 3ag3 h LYS 12 N 0.71 0.19 -0.00 3.56 1.57 -1.30 -3.40 116.57 117.89 3ag3 h LYS 12 Ca 0.10 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3ag3 h LYS 12 Cb 0.73 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3ag3 h LYS 12 CO 0.06 0.76 -0.34 0.66 -0.57 0.00 0.00 179.45 180.02 3ag3 n TYR 13 N -4.60 0.00 0.07 -1.35 4.01 0.84 -4.75 117.16 111.38 3ag3 n TYR 13 Ca -0.08 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.54 3ag3 n TYR 13 Cb 0.40 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.38 3ag3 n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3ag3 h GLY 14 N 2.29 -0.31 1.41 2.72 0.00 -0.86 0.33 103.07 108.65 3ag3 h GLY 14 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 3ag3 h GLY 14 CO 0.00 -0.19 0.12 3.43 0.00 0.00 0.00 176.54 179.90 3ag3 h ASN 15 N -0.35 0.69 -0.07 0.19 2.35 -1.85 -0.49 115.58 116.05 3ag3 h ASN 15 Ca 0.05 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3ag3 h ASN 15 Cb 0.42 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3ag3 h ASN 15 CO -0.18 0.68 -0.32 0.00 -1.65 0.00 0.00 177.43 175.96 3ag3 h ALA 16 N 1.41 0.13 -0.20 -0.83 0.00 -1.59 -1.08 119.26 117.10 3ag3 h ALA 16 Ca 0.16 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3ag3 h ALA 16 Cb 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3ag3 h ALA 16 CO -0.00 0.18 -0.09 0.28 0.00 0.00 0.00 179.25 179.62 3ag3 h VAL 17 N -0.17 0.70 0.10 0.00 2.07 -0.11 0.31 116.25 119.15 3ag3 h VAL 17 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3ag3 h VAL 17 Cb 0.97 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3ag3 h VAL 17 CO 0.07 0.00 -0.21 0.25 0.02 0.00 0.00 177.57 177.70 3ag3 h LEU 18 N -0.07 -0.59 0.15 2.57 5.85 -1.06 0.61 115.31 122.78 3ag3 h LEU 18 Ca 0.11 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3ag3 h LEU 18 Cb 0.23 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3ag3 h LEU 18 CO -0.24 -0.29 -0.26 0.00 -0.34 0.00 0.00 178.44 177.31 3ag3 h ALA 19 N 0.43 -0.46 -0.13 1.25 0.00 -1.05 -1.96 119.26 117.34 3ag3 h ALA 19 Ca 0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3ag3 h ALA 19 Cb 0.41 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3ag3 h ALA 19 CO -0.13 -0.80 -0.64 0.66 0.00 0.00 0.00 179.25 178.34 3ag3 h SER 20 N -0.49 0.56 -0.16 0.00 4.64 -0.94 -2.71 113.55 114.46 3ag3 h SER 20 Ca 0.02 -0.33 0.03 0.00 -0.47 0.00 0.00 61.79 61.04 3ag3 h SER 20 Cb 0.49 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3ag3 h SER 20 CO -0.12 1.05 -0.02 1.23 -0.87 0.00 0.00 176.83 178.10 3ag3 h GLY 21 N 1.14 0.13 0.94 -0.77 0.00 -0.85 0.76 103.07 104.42 3ag3 h GLY 21 Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3ag3 h GLY 21 CO 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 176.54 176.60 3ag3 h ALA 22 N 1.15 -0.03 -0.25 3.60 0.00 -1.39 0.16 119.26 122.49 3ag3 h ALA 22 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ag3 h ALA 22 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ag3 h ALA 22 CO -0.15 -0.49 0.08 1.15 0.00 0.00 0.00 179.25 179.85 3ag3 h THR 23 N -0.09 0.93 -0.51 0.00 2.02 -1.47 -0.74 112.91 113.05 3ag3 h THR 23 Ca -0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3ag3 h THR 23 Cb 0.09 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3ag3 h THR 23 CO 0.01 0.04 0.28 0.15 0.37 0.00 0.00 175.52 176.36 3ag3 h PHE 24 N 0.20 0.70 -0.09 3.16 3.57 -0.71 -1.79 116.94 121.98 3ag3 h PHE 24 Ca 0.11 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3ag3 h PHE 24 Cb 0.08 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 3ag3 h PHE 24 CO -0.13 0.51 0.04 0.00 -2.23 0.00 0.00 178.31 176.51 3ag3 h VAL 26 N 0.02 1.21 -0.27 0.00 2.07 -1.13 -2.34 116.25 115.81 3ag3 h VAL 26 Ca 0.03 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3ag3 h VAL 26 Cb 0.12 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3ag3 h VAL 26 CO -0.00 0.23 -0.19 0.00 0.02 0.00 0.00 177.57 177.62 3ag3 h ALA 27 N 1.19 0.39 -0.13 1.67 0.00 -0.83 -0.84 119.26 120.71 3ag3 h ALA 27 Ca 0.24 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3ag3 h ALA 27 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ag3 h ALA 27 CO -0.04 0.33 -0.58 -0.24 0.00 0.00 0.00 179.25 178.72 3ag3 h VAL 28 N 0.35 1.35 -0.35 0.00 3.04 -0.99 -1.15 116.25 118.51 3ag3 h VAL 28 Ca 0.05 -1.88 -0.17 0.00 -1.01 0.00 0.00 66.70 63.70 3ag3 h VAL 28 Cb 0.74 1.88 -0.00 0.00 -2.01 0.00 0.00 31.29 31.89 3ag3 h VAL 28 CO 0.05 0.57 -0.43 -0.50 -1.01 0.00 0.00 177.57 176.25 3ag3 h TRP 29 N 0.31 1.08 -0.75 3.17 4.06 -1.39 0.13 115.95 122.56 3ag3 h TRP 29 Ca -0.00 -0.34 -0.05 0.00 2.06 0.00 0.00 58.89 60.56 3ag3 h TRP 29 Cb 1.10 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 29.01 3ag3 h TRP 29 CO 0.04 1.16 0.28 0.28 -3.56 0.00 0.00 178.44 176.63 3ag3 h VAL 30 N 0.71 1.26 -0.19 1.49 2.07 -1.06 -0.99 116.25 119.54 3ag3 h VAL 30 Ca 0.05 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 3ag3 h VAL 30 Cb 1.02 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3ag3 h VAL 30 CO 0.10 0.34 0.01 0.22 0.02 0.00 0.00 177.57 178.26 3ag3 h TYR 31 N 1.09 0.35 -0.95 1.57 5.03 -0.88 -2.23 116.97 120.94 3ag3 h TYR 31 Ca 0.25 -0.06 0.05 0.00 2.58 0.00 0.00 58.73 61.55 3ag3 h TYR 31 Cb 0.25 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.38 3ag3 h TYR 31 CO 0.02 0.51 0.62 1.98 -1.32 0.00 0.00 178.16 179.97 3ag3 h MET 32 N 0.09 1.11 0.00 1.82 4.05 -0.44 0.33 114.93 121.89 3ag3 h MET 32 Ca 0.05 -0.07 -0.13 0.00 -0.28 0.00 0.00 59.70 59.28 3ag3 h MET 32 Cb 0.36 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 3ag3 h MET 32 CO 0.01 0.74 -0.63 0.00 0.23 0.00 0.00 176.91 177.26 3ag3 h ALA 33 N 1.47 0.87 0.00 0.39 0.00 -0.95 -3.38 119.26 117.66 3ag3 h ALA 33 Ca 0.40 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ag3 h ALA 33 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ag3 h ALA 33 CO -0.14 0.78 -0.66 0.25 0.00 0.00 0.00 179.25 179.48 3ag3 n THR 34 N -3.66 0.00 -0.02 0.00 -2.24 -0.86 -4.74 114.28 102.75 3ag3 n THR 34 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3ag3 n THR 34 Cb 0.65 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3ag3 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ag3 n GLN 35 N -1.34 0.46 -0.02 -0.78 1.13 0.06 -4.71 117.38 112.19 3ag3 n GLN 35 Ca -0.00 -0.85 0.01 0.00 -1.94 0.00 0.00 57.00 54.22 3ag3 n GLN 35 Cb 0.01 -0.99 0.01 0.00 0.11 0.00 0.00 30.24 29.38 3ag3 n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3ag3 n ILE 36 N -0.18 0.90 -1.22 5.09 -5.35 -1.26 -5.01 119.36 112.34 3ag3 n ILE 36 Ca 0.00 -0.94 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 3ag3 n ILE 36 Cb 0.10 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 3ag3 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ag3 n GLY 37 N -0.50 0.53 3.73 3.28 0.00 -1.26 -5.02 105.19 105.94 3ag3 n GLY 37 Ca 0.02 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3ag3 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag3 s ILE 38 N -2.00 3.48 -0.46 -0.61 1.01 -1.26 -4.99 121.20 116.37 3ag3 s ILE 38 Ca 0.00 1.15 -0.23 0.00 0.00 0.00 0.00 60.65 61.57 3ag3 s ILE 38 Cb 0.00 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.76 3ag3 s ILE 38 CO 0.00 0.14 0.76 -0.70 0.00 0.00 0.00 174.94 175.14 3ag3 s GLU 39 N 0.42 3.35 0.21 2.79 2.56 -1.26 -4.94 118.70 121.83 3ag3 s GLU 39 Ca 0.58 -0.22 0.23 0.00 0.00 0.00 0.00 54.97 55.56 3ag3 s GLU 39 Cb -0.34 -3.96 0.20 0.00 2.00 0.00 0.00 34.13 32.03 3ag3 s GLU 39 CO 0.34 -1.14 1.25 -1.49 -0.56 0.00 0.00 175.26 173.66 3ag3 h TRP 40 N 9.00 0.00 -6.09 5.30 4.06 -1.95 -3.48 115.95 122.78 3ag3 h TRP 40 Ca -0.25 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.30 3ag3 h TRP 40 Cb 1.09 0.00 0.10 0.00 -1.00 0.00 0.00 29.16 29.34 3ag3 h TRP 40 CO 0.79 0.00 -0.92 -1.71 -3.56 0.00 0.00 178.44 173.05 3ag3 n ASN 41 N -2.53 -4.98 -4.56 -3.49 5.15 -1.26 -4.98 115.26 98.62 3ag3 n ASN 41 Ca 0.02 -0.95 -0.29 0.00 -0.60 0.00 0.00 54.58 52.76 3ag3 n ASN 41 Cb 0.50 -3.74 0.18 0.00 -0.53 0.00 0.00 39.78 36.20 3ag3 n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ag3 s PRO 42 N -5.73 0.20 0.39 1.20 0.04 -1.26 -4.95 135.00 124.89 3ag3 s PRO 42 Ca 0.41 0.36 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 3ag3 s PRO 42 Cb -0.13 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 3ag3 s PRO 42 CO 0.84 -2.85 1.48 0.45 0.04 0.00 0.00 177.00 176.96 3ag3 s SER 43 N -3.61 6.24 0.51 6.66 0.15 -1.26 -4.89 113.70 117.49 3ag3 s SER 43 Ca 0.66 3.04 0.33 0.00 0.70 0.00 0.00 55.95 60.69 3ag3 s SER 43 Cb -0.17 -2.67 1.48 0.00 -1.71 0.00 0.00 66.02 62.96 3ag3 s SER 43 CO 0.57 -0.94 1.99 -0.65 1.20 0.00 0.00 173.24 175.41 3ag3 h PRO 44 N 2.86 0.00 -6.39 5.44 0.11 -1.97 -3.43 132.00 128.62 3ag3 h PRO 44 Ca -0.51 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.07 3ag3 h PRO 44 Cb 1.24 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.37 3ag3 h PRO 44 CO 0.64 0.00 1.15 0.08 -0.21 0.00 0.00 178.00 179.65 3ag3 s VAL 45 N -3.68 3.00 0.00 3.15 1.01 -1.26 -0.58 120.40 122.03 3ag3 s VAL 45 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3ag3 s VAL 45 Cb 0.10 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3ag3 s VAL 45 CO 0.47 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3ag3 n GLY 46 N 4.33 0.45 0.74 4.51 0.00 -1.26 -4.80 105.19 109.15 3ag3 n GLY 46 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ag3 n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ag3 n ARG 47 N -2.07 0.00 -3.71 1.61 0.63 -0.19 -5.08 116.66 107.84 3ag3 n ARG 47 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 3ag3 n ARG 47 Cb 0.10 -0.43 -0.06 0.00 0.45 0.00 0.00 32.46 32.52 3ag3 n ARG 47 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ag3 s VAL 48 N -1.59 5.31 -0.35 5.15 1.01 0.25 -5.06 120.40 125.12 3ag3 s VAL 48 Ca 0.00 0.47 -0.18 0.00 0.00 0.00 0.00 61.98 62.26 3ag3 s VAL 48 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 3ag3 s VAL 48 CO 0.00 0.59 0.52 -0.89 0.00 0.00 0.00 175.10 175.31 3ag3 s THR 49 N -0.91 5.01 0.56 3.92 2.01 -1.26 -4.93 115.64 120.03 3ag3 s THR 49 Ca 0.18 0.32 -0.21 0.00 0.31 0.00 0.00 61.69 62.29 3ag3 s THR 49 Cb -0.14 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 3ag3 s THR 49 CO 0.07 -0.23 1.27 -2.65 -0.69 0.00 0.00 174.62 172.39 3ag3 n PRO 50 N 5.75 1.49 -4.40 4.92 -0.02 -1.26 -5.02 135.00 136.47 3ag3 n PRO 50 Ca -0.05 0.55 -0.20 0.00 -2.02 0.00 0.00 63.50 61.78 3ag3 n PRO 50 Cb 0.49 -2.47 -0.14 0.00 -0.02 0.00 0.00 33.50 31.36 3ag3 n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ag3 s LYS 51 N -2.84 0.95 0.25 -0.52 2.20 -1.26 -5.13 119.74 113.39 3ag3 s LYS 51 Ca 0.73 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 3ag3 s LYS 51 Cb -0.42 -0.95 -0.14 0.00 -1.51 0.00 0.00 37.83 34.81 3ag3 s LYS 51 CO 0.49 0.24 1.21 0.39 -0.36 0.00 0.00 175.35 177.32 3ag3 n GLU 52 N 2.09 1.64 0.00 4.03 -0.58 -1.26 -4.88 120.64 121.67 3ag3 n GLU 52 Ca -0.17 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 3ag3 n GLU 52 Cb 0.55 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 3ag3 n GLU 52 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3ag3 n TRP 53 N 1.07 0.00 0.74 -0.32 4.27 -1.26 -5.33 117.44 116.62 3ag3 n TRP 53 Ca 0.11 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.78 3ag3 n TRP 53 Cb 0.31 0.00 0.35 0.00 -1.36 0.00 0.00 31.31 30.61 3ag3 n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27