#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s TYR 3 N 0.00 3.20 0.51 1.57 2.02 -1.26 -5.08 117.35 118.31 3ag4 s TYR 3 Ca 0.00 0.03 -0.21 0.00 -0.37 0.00 0.00 57.07 56.52 3ag4 s TYR 3 Cb 0.00 -2.11 -0.07 0.00 -0.40 0.00 0.00 41.96 39.38 3ag4 s TYR 3 CO 0.00 -0.14 1.14 -1.21 -1.57 0.00 0.00 175.55 173.77 3ag4 s GLU 4 N -4.35 3.53 0.06 -0.62 0.41 -1.26 -5.04 118.70 111.43 3ag4 s GLU 4 Ca 0.46 1.66 0.03 0.00 -0.41 0.00 0.00 54.97 56.71 3ag4 s GLU 4 Cb -0.10 -2.16 -0.03 0.00 -1.78 0.00 0.00 34.13 30.06 3ag4 s GLU 4 CO 0.34 -0.72 -0.09 -1.21 -0.49 0.00 0.00 175.26 173.09 3ag4 s GLU 5 N -3.06 0.68 0.00 1.61 2.02 -1.26 -4.65 118.70 114.04 3ag4 s GLU 5 Ca 0.69 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.75 3ag4 s GLU 5 Cb -0.25 -0.44 0.00 0.00 0.10 0.00 0.00 34.13 33.54 3ag4 s GLU 5 CO 0.29 0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.06 3ag4 n GLY 6 N 1.10 2.16 3.60 -1.39 0.00 -1.26 -4.77 105.19 104.63 3ag4 n GLY 6 Ca -0.20 -2.08 -0.50 0.00 0.00 0.00 0.00 46.02 43.24 3ag4 n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ag4 n PRO 7 N 0.13 1.33 -0.74 1.61 -0.02 -1.26 -0.68 135.00 135.37 3ag4 n PRO 7 Ca 0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3ag4 n PRO 7 Cb 0.00 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3ag4 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag4 n GLY 8 N 2.43 0.29 0.00 -1.23 0.00 -1.26 -4.80 105.19 100.63 3ag4 n GLY 8 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3ag4 n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ag4 n LYS 9 N -1.62 1.41 -1.23 1.61 4.76 0.15 -4.46 118.16 118.78 3ag4 n LYS 9 Ca 0.00 -0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 55.10 3ag4 n LYS 9 Cb 0.07 -1.24 0.14 0.00 -1.84 0.00 0.00 35.03 32.17 3ag4 n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3ag4 n ASN 10 N -1.67 5.00 -4.03 4.39 6.94 -1.18 -4.61 115.26 120.11 3ag4 n ASN 10 Ca -0.00 -3.62 -0.13 0.00 -0.02 0.00 0.00 54.58 50.80 3ag4 n ASN 10 Cb 0.29 -0.88 -0.12 0.00 -2.36 0.00 0.00 39.78 36.71 3ag4 n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3ag4 s ILE 11 N -3.69 0.47 -1.14 1.53 -4.36 -1.26 -5.04 121.20 107.71 3ag4 s ILE 11 Ca 0.58 -0.82 0.00 0.00 -0.26 0.00 0.00 60.65 60.15 3ag4 s ILE 11 Cb 0.48 -0.51 0.01 0.00 1.25 0.00 0.00 42.46 43.69 3ag4 s ILE 11 CO 0.07 -0.25 0.60 -0.81 0.24 0.00 0.00 174.94 174.79 3ag4 n PRO 12 N 1.90 1.07 -4.27 0.37 -0.04 -1.26 -4.77 135.00 128.00 3ag4 n PRO 12 Ca -0.20 -0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.06 3ag4 n PRO 12 Cb 0.56 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 3ag4 n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ag4 s PHE 13 N -1.18 1.31 0.04 0.54 -0.12 -1.26 -5.14 117.98 112.18 3ag4 s PHE 13 Ca 0.01 -0.90 -0.19 0.00 -0.05 0.00 0.00 56.93 55.80 3ag4 s PHE 13 Cb 0.01 -0.73 -0.06 0.00 -0.63 0.00 0.00 43.02 41.61 3ag4 s PHE 13 CO 0.00 -0.06 0.56 0.45 -0.05 0.00 0.00 175.22 176.12 3ag4 s SER 14 N -3.20 7.00 -0.16 1.98 0.15 -1.26 -4.96 113.70 113.24 3ag4 s SER 14 Ca 0.22 1.19 0.16 0.00 0.70 0.00 0.00 55.95 58.22 3ag4 s SER 14 Cb 0.05 -2.35 0.52 0.00 -1.71 0.00 0.00 66.02 62.53 3ag4 s SER 14 CO 0.04 0.22 1.41 1.33 1.20 0.00 0.00 173.24 177.44 3ag4 n VAL 15 N 2.09 2.16 -0.18 4.45 0.24 -1.26 -4.70 118.33 121.13 3ag4 n VAL 15 Ca -0.10 -1.77 -0.06 0.00 -2.04 0.00 0.00 64.34 60.38 3ag4 n VAL 15 Cb 0.51 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 3ag4 n VAL 15 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3ag4 h GLU 16 N 1.89 -0.17 -4.95 7.34 4.57 -1.93 -3.40 114.58 117.94 3ag4 h GLU 16 Ca 0.00 0.01 -0.66 0.00 -1.18 0.00 0.00 59.36 57.53 3ag4 h GLU 16 Cb 1.38 0.04 -0.36 0.00 -0.16 0.00 0.00 28.75 29.66 3ag4 h GLU 16 CO 0.21 -0.12 -0.84 1.21 -1.18 0.00 0.00 179.01 178.29 3ag4 s ASN 17 N -5.14 3.40 0.53 1.04 3.84 -1.26 -5.00 114.94 112.34 3ag4 s ASN 17 Ca -0.14 -0.82 0.23 0.00 0.21 0.00 0.00 52.86 52.34 3ag4 s ASN 17 Cb 0.15 -1.45 1.46 0.00 -0.55 0.00 0.00 41.25 40.86 3ag4 s ASN 17 CO 0.69 -0.06 2.13 0.07 -2.79 0.00 0.00 177.10 177.15 3ag4 h LYS 18 N 7.92 0.00 0.24 0.43 2.10 -1.95 0.58 116.57 125.89 3ag4 h LYS 18 Ca -0.38 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.94 3ag4 h LYS 18 Cb 1.11 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.48 3ag4 h LYS 18 CO 0.58 0.07 -1.48 -1.49 -2.00 0.00 0.00 179.45 175.12 3ag4 h TRP 19 N 0.00 0.93 -0.96 0.07 4.06 -1.97 -0.84 115.95 117.23 3ag4 h TRP 19 Ca -0.00 -0.68 0.01 0.00 2.06 0.00 0.00 58.89 60.28 3ag4 h TRP 19 Cb 0.16 -0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 28.23 3ag4 h TRP 19 CO 0.00 1.55 0.63 -0.09 -3.56 0.00 0.00 178.44 176.97 3ag4 h ARG 20 N 0.14 1.26 -0.35 0.49 2.43 -1.85 -2.26 114.38 114.24 3ag4 h ARG 20 Ca -0.25 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 58.75 3ag4 h ARG 20 Cb 2.15 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 31.41 3ag4 h ARG 20 CO 0.26 0.83 -0.14 1.25 -1.51 0.00 0.00 179.97 180.67 3ag4 h LEU 21 N 1.30 0.72 -0.97 3.80 5.85 -0.80 -0.60 115.31 124.61 3ag4 h LEU 21 Ca 0.35 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3ag4 h LEU 21 Cb -0.15 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 3ag4 h LEU 21 CO -0.08 0.95 0.46 0.25 -0.34 0.00 0.00 178.44 179.68 3ag4 h LEU 22 N 0.48 1.06 -0.12 2.25 5.85 -1.00 -0.73 115.31 123.10 3ag4 h LEU 22 Ca 0.08 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ag4 h LEU 22 Cb 0.66 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3ag4 h LEU 22 CO 0.04 0.86 0.08 0.00 -0.34 0.00 0.00 178.44 179.08 3ag4 h ALA 23 N 1.31 0.16 -0.42 1.25 0.00 -0.89 0.47 119.26 121.15 3ag4 h ALA 23 Ca 0.30 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3ag4 h ALA 23 Cb 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ag4 h ALA 23 CO -0.05 -0.33 0.20 0.52 0.00 0.00 0.00 179.25 179.59 3ag4 h MET 24 N 0.13 0.39 -0.18 0.00 2.86 -0.62 -0.34 114.93 117.18 3ag4 h MET 24 Ca 0.04 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 3ag4 h MET 24 Cb 0.03 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3ag4 h MET 24 CO -0.01 0.26 -0.45 0.52 1.06 0.00 0.00 176.91 178.29 3ag4 h MET 25 N 0.40 0.46 -0.21 1.72 2.07 -1.07 0.17 114.93 118.47 3ag4 h MET 25 Ca 0.18 -0.24 -0.05 0.00 -2.07 0.00 0.00 59.70 57.51 3ag4 h MET 25 Cb 0.10 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 3ag4 h MET 25 CO -0.14 0.82 -0.08 1.15 1.07 0.00 0.00 176.91 179.73 3ag4 h THR 26 N 0.37 1.30 -0.60 2.22 2.02 -0.68 -0.89 112.91 116.64 3ag4 h THR 26 Ca 0.03 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.12 3ag4 h THR 26 Cb 0.93 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.89 3ag4 h THR 26 CO 0.08 0.34 0.38 -0.07 0.37 0.00 0.00 175.52 176.62 3ag4 h LEU 27 N 0.14 0.63 0.41 2.58 3.38 -0.72 -0.82 115.31 120.92 3ag4 h LEU 27 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3ag4 h LEU 27 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ag4 h LEU 27 CO 0.03 0.45 -0.20 0.15 0.09 0.00 0.00 178.44 178.96 3ag4 h PHE 28 N 0.76 -0.51 -0.62 1.13 3.57 -0.57 -1.53 116.94 119.17 3ag4 h PHE 28 Ca 0.23 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 3ag4 h PHE 28 Cb -0.02 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3ag4 h PHE 28 CO -0.05 -0.32 0.01 0.74 -2.23 0.00 0.00 178.31 176.47 3ag4 h PHE 29 N -0.64 1.18 -0.42 0.41 -1.00 -1.28 -3.00 116.94 112.18 3ag4 h PHE 29 Ca -0.06 -0.20 -0.04 0.00 2.81 0.00 0.00 57.97 60.49 3ag4 h PHE 29 Cb 0.42 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 3ag4 h PHE 29 CO 0.10 1.03 0.11 0.78 -1.61 0.00 0.00 178.31 178.72 3ag4 h GLY 30 N 0.98 0.67 1.00 -1.45 0.00 -1.25 -1.63 103.07 101.40 3ag4 h GLY 30 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3ag4 h GLY 30 CO 0.03 0.33 0.37 1.48 0.00 0.00 0.00 176.54 178.75 3ag4 h SER 31 N 0.61 0.86 -0.29 0.19 4.64 -1.24 0.26 113.55 118.58 3ag4 h SER 31 Ca 0.14 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 3ag4 h SER 31 Cb 0.22 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3ag4 h SER 31 CO -0.01 0.71 -0.19 1.23 -0.87 0.00 0.00 176.83 177.70 3ag4 h GLY 32 N 0.94 0.70 1.48 -0.77 0.00 -1.44 -2.75 103.07 101.23 3ag4 h GLY 32 Ca 0.24 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3ag4 h GLY 32 CO -0.04 0.60 0.22 -2.75 0.00 0.00 0.00 176.54 174.57 3ag4 h PHE 33 N 0.39 0.67 0.00 5.60 3.57 -1.22 -3.18 116.94 122.78 3ag4 h PHE 33 Ca 0.06 -0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.28 3ag4 h PHE 33 Cb 0.73 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 3ag4 h PHE 33 CO 0.07 0.51 -1.39 0.00 -2.23 0.00 0.00 178.31 175.26 3ag4 h ALA 34 N 1.56 0.58 -0.74 2.41 0.00 -0.97 -3.38 119.26 118.73 3ag4 h ALA 34 Ca 0.17 -1.21 0.13 0.00 0.00 0.00 0.00 54.91 54.00 3ag4 h ALA 34 Cb 0.10 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 3ag4 h ALA 34 CO -0.02 1.43 -0.30 0.00 0.00 0.00 0.00 179.25 180.36 3ag4 h ALA 35 N 0.99 0.19 -0.50 0.00 0.00 -1.46 -0.46 119.26 118.02 3ag4 h ALA 35 Ca -0.16 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ag4 h ALA 35 Cb 1.91 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 20.44 3ag4 h ALA 35 CO 0.10 -0.57 0.32 -1.35 0.00 0.00 0.00 179.25 177.75 3ag4 h PRO 36 N -0.08 0.67 -0.57 0.00 0.11 -1.76 0.23 132.00 130.60 3ag4 h PRO 36 Ca 0.30 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.30 3ag4 h PRO 36 Cb 0.57 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3ag4 h PRO 36 CO -0.79 0.46 0.09 0.74 -0.21 0.00 0.00 178.00 178.29 3ag4 h PHE 37 N 0.68 1.01 -0.04 0.65 -1.00 -1.34 -2.14 116.94 114.76 3ag4 h PHE 37 Ca 0.18 -0.14 -0.11 0.00 2.81 0.00 0.00 57.97 60.71 3ag4 h PHE 37 Cb -0.05 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.22 3ag4 h PHE 37 CO 0.00 0.88 -0.50 0.74 -1.61 0.00 0.00 178.31 177.83 3ag4 h PHE 38 N 0.84 0.12 -0.29 -0.55 -1.00 -0.74 -0.98 116.94 114.34 3ag4 h PHE 38 Ca 0.17 -0.04 -0.15 0.00 2.81 0.00 0.00 57.97 60.77 3ag4 h PHE 38 Cb 0.42 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 3ag4 h PHE 38 CO 0.03 0.57 -0.40 0.82 -1.61 0.00 0.00 178.31 177.72 3ag4 h ILE 39 N 0.08 1.29 -0.79 -0.55 2.04 -0.85 0.90 117.51 119.63 3ag4 h ILE 39 Ca 0.00 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 3ag4 h ILE 39 Cb 0.90 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 3ag4 h ILE 39 CO 0.07 0.51 0.44 0.58 0.00 0.00 0.00 178.15 179.75 3ag4 h VAL 40 N 0.55 1.23 -0.48 1.67 2.07 -1.28 0.53 116.25 120.54 3ag4 h VAL 40 Ca 0.03 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3ag4 h VAL 40 Cb 1.00 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3ag4 h VAL 40 CO 0.09 0.25 0.27 -0.09 0.02 0.00 0.00 177.57 178.12 3ag4 h ARG 41 N 1.09 0.52 -0.45 1.57 2.43 -0.84 -0.29 114.38 118.40 3ag4 h ARG 41 Ca 0.28 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3ag4 h ARG 41 Cb 0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3ag4 h ARG 41 CO -0.05 0.34 0.26 1.25 -1.51 0.00 0.00 179.97 180.27 3ag4 h HIS 42 N 0.53 0.49 -0.27 2.20 2.76 0.18 0.53 115.15 121.58 3ag4 h HIS 42 Ca 0.20 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.33 3ag4 h HIS 42 Cb 0.06 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3ag4 h HIS 42 CO -0.08 0.28 -0.05 1.96 -1.30 0.00 0.00 177.93 178.75 3ag4 h GLN 43 N 0.53 0.51 -0.94 5.26 1.08 -0.50 -1.30 115.11 119.74 3ag4 h GLN 43 Ca 0.18 -0.19 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 3ag4 h GLN 43 Cb 0.02 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.36 3ag4 h GLN 43 CO -0.08 0.71 0.62 -0.07 -0.95 0.00 0.00 178.83 179.05 3ag4 h LEU 44 N 0.27 1.05 -0.94 1.46 3.38 -0.83 -2.37 115.31 117.33 3ag4 h LEU 44 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ag4 h LEU 44 Cb 0.51 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3ag4 h LEU 44 CO 0.02 0.74 0.00 -0.07 0.09 0.00 0.00 178.44 179.22 3ag4 h LEU 45 N 1.23 0.00 -0.16 1.67 3.38 -0.64 -3.29 115.31 117.49 3ag4 h LEU 45 Ca 0.36 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.13 3ag4 h LEU 45 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3ag4 h LEU 45 CO -0.10 0.00 -0.70 0.11 0.09 0.00 0.00 178.44 177.84 3ag4 h LYS 46 N 0.00 0.76 0.00 1.13 1.57 -0.69 -3.51 116.57 115.84 3ag4 h LYS 46 Ca 0.00 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 3ag4 h LYS 46 Cb 0.62 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3ag4 h LYS 46 CO 0.00 1.21 0.00 1.17 -0.57 0.00 0.00 179.45 181.26