#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s PRO 7 N 0.00 4.18 0.69 0.00 0.04 -1.26 -5.01 135.00 133.65 3ag1 s PRO 7 Ca 0.00 2.47 0.01 0.00 0.04 0.00 0.00 61.00 63.52 3ag1 s PRO 7 Cb 0.00 -3.00 0.14 0.00 0.04 0.00 0.00 34.50 31.67 3ag1 s PRO 7 CO 0.00 -0.43 0.95 -0.40 0.04 0.00 0.00 177.00 177.16 3ag1 n ASP 8 N 0.61 1.42 -0.35 6.66 3.85 -1.26 -4.84 116.55 122.63 3ag1 n ASP 8 Ca 0.01 -2.16 0.24 0.00 -0.71 0.00 0.00 54.79 52.17 3ag1 n ASP 8 Cb 0.40 -0.60 0.49 0.00 -1.35 0.00 0.00 41.12 40.05 3ag1 n ASP 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3ag1 h PHE 9 N -0.51 0.86 0.16 2.11 3.57 -1.99 -0.86 116.94 120.29 3ag1 h PHE 9 Ca -0.31 0.03 -0.30 0.00 3.53 0.00 0.00 57.97 60.92 3ag1 h PHE 9 Cb 1.20 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.72 3ag1 h PHE 9 CO 0.00 -0.12 -1.37 0.45 -2.23 0.00 0.00 178.31 175.04 3ag1 h HIS 10 N 0.34 0.63 -0.65 0.41 -0.00 -1.94 0.33 115.15 114.27 3ag1 h HIS 10 Ca 0.71 -0.46 -0.04 0.00 -0.00 0.00 0.00 60.37 60.58 3ag1 h HIS 10 Cb 1.69 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 29.05 3ag1 h HIS 10 CO -0.01 1.39 0.23 -0.44 -0.00 0.00 0.00 177.93 179.11 3ag1 h ASP 11 N 0.09 0.93 0.51 2.45 3.32 -1.82 0.28 116.42 122.18 3ag1 h ASP 11 Ca -0.19 -0.19 -0.30 0.00 0.02 0.00 0.00 57.03 56.37 3ag1 h ASP 11 Cb 2.04 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.35 3ag1 h ASP 11 CO 0.22 0.87 -1.40 0.11 -1.72 0.00 0.00 179.24 177.31 3ag1 h LYS 12 N 0.93 0.29 0.00 3.56 1.57 -0.95 -3.41 116.57 118.56 3ag1 h LYS 12 Ca 0.21 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3ag1 h LYS 12 Cb 0.25 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3ag1 h LYS 12 CO -0.01 1.20 -0.17 0.66 -0.57 0.00 0.00 179.45 180.56 3ag1 n TYR 13 N -3.52 0.00 -0.20 -1.35 4.01 0.11 -4.79 117.16 111.43 3ag1 n TYR 13 Ca -0.13 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.59 3ag1 n TYR 13 Cb 1.04 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 40.12 3ag1 n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3ag1 h GLY 14 N 0.37 0.36 1.27 2.72 0.00 -0.51 -0.94 103.07 106.34 3ag1 h GLY 14 Ca 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.43 3ag1 h GLY 14 CO 0.00 -0.23 -0.29 3.43 0.00 0.00 0.00 176.54 179.45 3ag1 h ASN 15 N -0.03 0.85 -0.29 0.19 2.35 -1.87 0.09 115.58 116.88 3ag1 h ASN 15 Ca 0.28 -0.34 -0.19 0.00 -0.55 0.00 0.00 56.30 55.51 3ag1 h ASN 15 Cb 0.46 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3ag1 h ASN 15 CO -0.63 1.08 -0.55 0.00 -1.65 0.00 0.00 177.43 175.67 3ag1 h ALA 16 N 0.98 0.46 -0.49 -0.83 0.00 -1.76 -2.05 119.26 115.56 3ag1 h ALA 16 Ca 0.08 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 3ag1 h ALA 16 Cb 0.83 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3ag1 h ALA 16 CO 0.07 0.68 0.04 0.28 0.00 0.00 0.00 179.25 180.32 3ag1 h VAL 17 N 0.67 1.26 -0.36 0.00 2.07 -0.99 -2.00 116.25 116.90 3ag1 h VAL 17 Ca 0.01 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.54 3ag1 h VAL 17 Cb 1.16 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3ag1 h VAL 17 CO 0.12 0.35 0.23 0.25 0.02 0.00 0.00 177.57 178.54 3ag1 h LEU 18 N 0.70 0.38 0.02 2.57 5.85 -0.87 -0.83 115.31 123.13 3ag1 h LEU 18 Ca 0.14 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 3ag1 h LEU 18 Cb 0.46 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.41 3ag1 h LEU 18 CO 0.02 0.28 -0.56 0.00 -0.34 0.00 0.00 178.44 177.84 3ag1 h ALA 19 N 1.15 0.04 0.00 1.25 0.00 -1.25 -2.32 119.26 118.13 3ag1 h ALA 19 Ca 0.14 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 3ag1 h ALA 19 Cb -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3ag1 h ALA 19 CO -0.05 0.30 -0.98 0.66 0.00 0.00 0.00 179.25 179.19 3ag1 h SER 20 N -0.23 0.00 -0.48 0.00 4.64 -1.41 -1.23 113.55 114.85 3ag1 h SER 20 Ca -0.08 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3ag1 h SER 20 Cb 1.30 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.34 3ag1 h SER 20 CO 0.11 0.79 0.18 1.23 -0.87 0.00 0.00 176.83 178.27 3ag1 h GLY 21 N 3.31 0.64 0.90 -0.77 0.00 -1.18 -1.29 103.07 104.69 3ag1 h GLY 21 Ca -0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 3ag1 h GLY 21 CO 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 176.54 176.65 3ag1 h ALA 22 N 1.31 0.44 -0.23 3.60 0.00 -1.33 -1.54 119.26 121.51 3ag1 h ALA 22 Ca 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ag1 h ALA 22 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ag1 h ALA 22 CO -0.22 0.21 0.14 1.15 0.00 0.00 0.00 179.25 180.53 3ag1 h THR 23 N 0.39 1.09 0.19 0.00 2.02 -1.19 -2.14 112.91 113.27 3ag1 h THR 23 Ca 0.09 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3ag1 h THR 23 Cb 0.46 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3ag1 h THR 23 CO 0.02 0.09 -0.12 0.15 0.37 0.00 0.00 175.52 176.03 3ag1 h PHE 24 N 0.29 -0.31 0.23 3.16 3.57 -1.20 -2.32 116.94 120.36 3ag1 h PHE 24 Ca 0.08 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3ag1 h PHE 24 Cb 0.02 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3ag1 h PHE 24 CO -0.05 -0.19 -0.28 0.00 -2.23 0.00 0.00 178.31 175.56 3ag1 h VAL 26 N -0.56 0.56 0.04 0.00 2.07 -1.45 -1.80 116.25 115.10 3ag1 h VAL 26 Ca 0.00 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3ag1 h VAL 26 Cb 0.54 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3ag1 h VAL 26 CO -0.09 0.02 -0.02 0.00 0.02 0.00 0.00 177.57 177.50 3ag1 h ALA 27 N 1.50 -0.06 -0.11 1.67 0.00 -1.03 -0.76 119.26 120.46 3ag1 h ALA 27 Ca 0.28 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3ag1 h ALA 27 Cb 0.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ag1 h ALA 27 CO -0.47 -0.42 -0.38 -0.24 0.00 0.00 0.00 179.25 177.75 3ag1 h VAL 28 N -0.29 1.30 -0.33 0.00 3.04 -1.09 -1.37 116.25 117.51 3ag1 h VAL 28 Ca -0.01 -1.44 -0.14 0.00 -1.01 0.00 0.00 66.70 64.10 3ag1 h VAL 28 Cb 0.26 1.63 -0.00 0.00 -2.01 0.00 0.00 31.29 31.17 3ag1 h VAL 28 CO 0.01 0.43 -0.34 -0.50 -1.01 0.00 0.00 177.57 176.16 3ag1 h TRP 29 N 0.21 0.97 -0.52 3.17 4.06 -1.17 -1.78 115.95 120.89 3ag1 h TRP 29 Ca 0.02 -0.30 -0.05 0.00 2.06 0.00 0.00 58.89 60.63 3ag1 h TRP 29 Cb 0.77 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.70 3ag1 h TRP 29 CO 0.01 1.08 0.14 0.28 -3.56 0.00 0.00 178.44 176.39 3ag1 h VAL 30 N 0.58 1.24 0.26 1.49 2.07 -1.05 -0.65 116.25 120.19 3ag1 h VAL 30 Ca 0.05 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3ag1 h VAL 30 Cb 0.93 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3ag1 h VAL 30 CO 0.08 0.31 -0.12 0.22 0.02 0.00 0.00 177.57 178.08 3ag1 h TYR 31 N 0.73 -0.32 -0.80 1.57 5.03 -1.16 -2.27 116.97 119.74 3ag1 h TYR 31 Ca 0.17 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.59 3ag1 h TYR 31 Cb 0.32 0.11 -0.09 0.00 1.55 0.00 0.00 36.73 38.62 3ag1 h TYR 31 CO 0.02 -0.12 0.41 1.98 -1.32 0.00 0.00 178.16 179.13 3ag1 h MET 32 N -0.45 0.61 0.00 1.82 4.05 -1.27 0.24 114.93 119.93 3ag1 h MET 32 Ca -0.04 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 3ag1 h MET 32 Cb 0.34 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3ag1 h MET 32 CO 0.06 0.41 -0.28 0.00 0.23 0.00 0.00 176.91 177.32 3ag1 h ALA 33 N 1.51 0.88 0.00 0.39 0.00 -0.91 -3.37 119.26 117.76 3ag1 h ALA 33 Ca 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ag1 h ALA 33 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ag1 h ALA 33 CO -0.32 0.35 -0.82 0.25 0.00 0.00 0.00 179.25 178.70 3ag1 n THR 34 N -3.26 0.00 0.01 0.00 -2.24 -0.87 -4.80 114.28 103.11 3ag1 n THR 34 Ca 0.02 -0.09 0.01 0.00 -2.27 0.00 0.00 64.05 61.72 3ag1 n THR 34 Cb 0.56 0.59 0.03 0.00 -2.10 0.00 0.00 70.33 69.41 3ag1 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ag1 n GLN 35 N -1.41 1.86 -0.11 -0.78 1.13 0.81 -4.67 117.38 114.21 3ag1 n GLN 35 Ca 0.00 -1.34 0.04 0.00 -1.94 0.00 0.00 57.00 53.76 3ag1 n GLN 35 Cb 0.00 -1.06 0.06 0.00 0.11 0.00 0.00 30.24 29.35 3ag1 n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3ag1 n ILE 36 N -0.11 1.12 -1.06 5.09 -5.35 -1.26 -4.99 119.36 112.80 3ag1 n ILE 36 Ca 0.03 -1.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.22 3ag1 n ILE 36 Cb 0.23 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 3ag1 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ag1 n GLY 37 N -0.78 0.42 3.72 3.28 0.00 -1.26 -5.02 105.19 105.54 3ag1 n GLY 37 Ca 0.07 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3ag1 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag1 s ILE 38 N -2.00 3.44 -0.44 -0.61 1.01 -1.26 -4.97 121.20 116.36 3ag1 s ILE 38 Ca 0.00 1.06 -0.21 0.00 0.00 0.00 0.00 60.65 61.50 3ag1 s ILE 38 Cb 0.00 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.82 3ag1 s ILE 38 CO 0.00 0.10 0.66 -0.70 0.00 0.00 0.00 174.94 174.99 3ag1 s GLU 39 N 0.88 3.29 0.21 2.79 2.56 -1.26 -4.89 118.70 122.28 3ag1 s GLU 39 Ca 0.62 -0.35 0.15 0.00 0.00 0.00 0.00 54.97 55.38 3ag1 s GLU 39 Cb -0.35 -3.95 -0.01 0.00 2.00 0.00 0.00 34.13 31.81 3ag1 s GLU 39 CO 0.31 -1.03 1.27 -1.49 -0.56 0.00 0.00 175.26 173.77 3ag1 h TRP 40 N 8.89 0.00 -6.01 5.30 4.06 -1.95 -3.48 115.95 122.76 3ag1 h TRP 40 Ca -0.25 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.31 3ag1 h TRP 40 Cb 1.09 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.37 3ag1 h TRP 40 CO 0.73 0.57 -0.91 -1.71 -3.56 0.00 0.00 178.44 173.57 3ag1 n ASN 41 N -3.15 -5.30 -4.40 -3.49 5.15 -1.26 -4.99 115.26 97.82 3ag1 n ASN 41 Ca -0.01 -0.92 -0.29 0.00 -0.60 0.00 0.00 54.58 52.76 3ag1 n ASN 41 Cb 0.78 -3.93 0.19 0.00 -0.53 0.00 0.00 39.78 36.29 3ag1 n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ag1 s PRO 42 N -5.55 0.13 0.16 1.20 0.04 -1.26 -4.96 135.00 124.76 3ag1 s PRO 42 Ca 0.43 0.18 -0.34 0.00 0.04 0.00 0.00 61.00 61.31 3ag1 s PRO 42 Cb -0.12 -1.73 -0.14 0.00 0.04 0.00 0.00 34.50 32.55 3ag1 s PRO 42 CO 0.82 -2.86 1.58 0.45 0.04 0.00 0.00 177.00 177.04 3ag1 n SER 43 N -4.21 3.13 0.27 6.66 2.88 -1.26 -4.90 113.62 116.19 3ag1 n SER 43 Ca 0.09 1.08 0.17 0.00 -1.33 0.00 0.00 58.87 58.89 3ag1 n SER 43 Cb 0.59 -1.43 0.75 0.00 -0.75 0.00 0.00 64.21 63.36 3ag1 n SER 43 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ag1 h PRO 44 N 5.94 0.00 -6.34 -1.46 0.11 -1.97 -3.43 132.00 124.86 3ag1 h PRO 44 Ca -0.45 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 3ag1 h PRO 44 Cb 1.25 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.38 3ag1 h PRO 44 CO 0.89 0.00 1.18 0.28 -0.21 0.00 0.00 178.00 180.14 3ag1 n VAL 45 N -2.96 0.68 -0.87 3.15 0.31 -1.26 -0.26 118.33 117.12 3ag1 n VAL 45 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3ag1 n VAL 45 Cb 0.25 -2.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 3ag1 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ag1 n GLY 46 N 4.48 0.92 0.00 2.92 0.00 -1.26 -4.80 105.19 107.44 3ag1 n GLY 46 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3ag1 n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ag1 n ARG 47 N -2.05 0.09 -3.66 1.61 0.63 0.64 -5.05 116.66 108.87 3ag1 n ARG 47 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 3ag1 n ARG 47 Cb 0.00 -0.80 -0.06 0.00 0.45 0.00 0.00 32.46 32.04 3ag1 n ARG 47 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3ag1 s VAL 48 N -1.61 5.27 -0.37 5.15 1.01 -0.57 -5.06 120.40 124.22 3ag1 s VAL 48 Ca 0.00 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 3ag1 s VAL 48 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.82 3ag1 s VAL 48 CO 0.00 0.57 0.66 -0.89 0.00 0.00 0.00 175.10 175.44 3ag1 s THR 49 N -0.80 4.85 0.44 3.92 2.01 -1.26 -4.91 115.64 119.89 3ag1 s THR 49 Ca 0.19 0.56 -0.26 0.00 0.31 0.00 0.00 61.69 62.50 3ag1 s THR 49 Cb -0.14 -4.12 -0.08 0.00 0.01 0.00 0.00 72.50 68.17 3ag1 s THR 49 CO 0.08 -0.38 1.42 -2.84 -0.69 0.00 0.00 174.62 172.21 3ag1 s PRO 50 N 2.79 3.75 0.12 4.92 0.02 -1.26 -5.01 135.00 140.32 3ag1 s PRO 50 Ca 0.25 2.40 0.10 0.00 0.02 0.00 0.00 61.00 63.78 3ag1 s PRO 50 Cb -0.14 -2.69 -0.04 0.00 0.02 0.00 0.00 34.50 31.65 3ag1 s PRO 50 CO 0.16 -0.76 -0.26 0.15 -0.33 0.00 0.00 177.00 175.96 3ag1 s LYS 51 N -2.40 1.41 0.27 5.54 1.02 -1.26 -5.11 119.74 119.21 3ag1 s LYS 51 Ca 0.60 -1.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.00 3ag1 s LYS 51 Cb -0.43 -1.84 -0.13 0.00 -0.52 0.00 0.00 37.83 34.91 3ag1 s LYS 51 CO 0.56 0.44 1.34 0.39 -0.92 0.00 0.00 175.35 177.16 3ag1 n GLU 52 N 1.05 2.00 -0.00 1.68 -0.58 -1.26 -4.91 120.64 118.61 3ag1 n GLU 52 Ca -0.18 0.71 -0.00 0.00 -0.42 0.00 0.00 57.16 57.27 3ag1 n GLU 52 Cb 0.53 -2.32 -0.00 0.00 -0.57 0.00 0.00 31.44 29.08 3ag1 n GLU 52 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3ag1 n TRP 53 N 1.27 0.00 1.20 -0.32 4.27 -1.26 -5.33 117.44 117.27 3ag1 n TRP 53 Ca 0.09 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.80 3ag1 n TRP 53 Cb 0.33 -0.02 0.57 0.00 -1.36 0.00 0.00 31.31 30.83 3ag1 n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27