#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 3.47 0.49 1.57 2.02 -1.26 -5.05 117.35 118.60 3ag4 s TYR 3 Ca 0.00 0.17 -0.24 0.00 -0.37 0.00 0.00 57.07 56.64 3ag4 s TYR 3 Cb 0.00 -1.73 -0.07 0.00 -0.40 0.00 0.00 41.96 39.76 3ag4 s TYR 3 CO 0.00 0.31 1.39 -1.21 -1.57 0.00 0.00 175.55 174.47 3ag4 s GLU 4 N -4.01 3.44 0.12 -0.62 0.41 -1.26 -5.04 118.70 111.74 3ag4 s GLU 4 Ca 0.37 2.31 0.06 0.00 -0.41 0.00 0.00 54.97 57.30 3ag4 s GLU 4 Cb -0.10 -2.47 -0.04 0.00 -1.78 0.00 0.00 34.13 29.75 3ag4 s GLU 4 CO 0.32 -0.98 -0.14 -1.21 -0.49 0.00 0.00 175.26 172.75 3ag4 s GLU 5 N -2.67 1.04 0.00 1.61 2.02 -1.26 -4.56 118.70 114.88 3ag4 s GLU 5 Ca 0.66 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 54.40 3ag4 s GLU 5 Cb -0.42 -0.94 0.00 0.00 0.10 0.00 0.00 34.13 32.88 3ag4 s GLU 5 CO 0.52 0.18 0.00 0.41 0.02 0.00 0.00 175.26 176.39 3ag4 n GLY 6 N 0.53 1.56 3.65 -1.39 0.00 -1.26 -4.76 105.19 103.51 3ag4 n GLY 6 Ca -0.15 -2.08 -0.53 0.00 0.00 0.00 0.00 46.02 43.26 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 0.70 1.30 -0.69 1.61 -0.02 -1.26 -1.43 135.00 135.21 3ag4 n PRO 7 Ca 0.00 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3ag4 n PRO 7 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 3.31 1.03 0.00 -1.23 0.00 -1.26 -4.81 105.19 102.23 3ag4 n GLY 8 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 3.49 -0.86 1.61 4.76 -0.51 -4.58 118.16 120.06 3ag4 n LYS 9 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 3ag4 n LYS 9 Cb 0.00 -0.71 0.09 0.00 -1.84 0.00 0.00 35.03 32.57 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 -1.16 4.77 -4.00 4.39 6.94 -1.19 -4.63 115.26 120.39 3ag4 n ASN 10 Ca 0.00 -3.11 -0.10 0.00 -0.02 0.00 0.00 54.58 51.36 3ag4 n ASN 10 Cb 0.00 -0.84 -0.11 0.00 -2.36 0.00 0.00 39.78 36.47 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 -2.43 0.18 -2.00 1.53 -4.36 -1.26 -5.05 121.20 107.82 3ag4 s ILE 11 Ca 0.37 -0.99 0.24 0.00 -0.26 0.00 0.00 60.65 60.02 3ag4 s ILE 11 Cb 0.31 -0.39 0.70 0.00 1.25 0.00 0.00 42.46 44.32 3ag4 s ILE 11 CO 0.04 -0.51 1.86 -0.81 0.24 0.00 0.00 174.94 175.76 3ag4 n PRO 12 N 1.49 0.86 -4.38 0.37 -0.04 -1.26 -4.80 135.00 127.23 3ag4 n PRO 12 Ca -0.23 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.01 3ag4 n PRO 12 Cb 0.55 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.00 1.94 0.09 0.54 -0.12 -1.26 -5.12 117.98 112.05 3ag4 s PHE 13 Ca 0.37 -0.46 -0.21 0.00 -0.05 0.00 0.00 56.93 56.58 3ag4 s PHE 13 Cb 0.17 -0.90 -0.07 0.00 -0.63 0.00 0.00 43.02 41.58 3ag4 s PHE 13 CO 0.28 0.46 0.61 0.45 -0.05 0.00 0.00 175.22 176.97 3ag4 s SER 14 N -3.13 7.13 -0.21 1.98 0.15 -1.26 -4.94 113.70 113.43 3ag4 s SER 14 Ca 0.22 1.34 0.13 0.00 0.70 0.00 0.00 55.95 58.35 3ag4 s SER 14 Cb -0.04 -2.39 0.43 0.00 -1.71 0.00 0.00 66.02 62.31 3ag4 s SER 14 CO 0.09 0.26 1.30 1.33 1.20 0.00 0.00 173.24 177.42 3ag4 n VAL 15 N 1.68 2.23 -0.12 4.45 0.24 -1.26 -4.65 118.33 120.90 3ag4 n VAL 15 Ca -0.09 -2.65 -0.09 0.00 -2.04 0.00 0.00 64.34 59.47 3ag4 n VAL 15 Cb 0.50 -0.26 0.06 0.00 -1.47 0.00 0.00 33.84 32.67 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 0.86 0.87 -4.75 7.34 4.57 -1.92 -3.41 114.58 118.14 3ag4 h GLU 16 Ca 0.06 -0.34 -0.60 0.00 -1.18 0.00 0.00 59.36 57.30 3ag4 h GLU 16 Cb 1.25 -0.05 -0.35 0.00 -0.16 0.00 0.00 28.75 29.44 3ag4 h GLU 16 CO 0.14 0.98 -0.84 1.21 -1.18 0.00 0.00 179.01 179.32 3ag4 s ASN 17 N -6.72 2.65 0.56 1.04 3.84 -1.26 -5.03 114.94 110.03 3ag4 s ASN 17 Ca -0.10 -0.48 0.30 0.00 0.21 0.00 0.00 52.86 52.78 3ag4 s ASN 17 Cb 0.13 -1.18 1.69 0.00 -0.55 0.00 0.00 41.25 41.34 3ag4 s ASN 17 CO 0.85 -0.02 2.18 0.07 -2.79 0.00 0.00 177.10 177.39 3ag4 h LYS 18 N 7.77 0.00 0.19 0.43 2.10 -1.96 -1.04 116.57 124.05 3ag4 h LYS 18 Ca -0.36 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.94 3ag4 h LYS 18 Cb 1.15 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.49 3ag4 h LYS 18 CO 0.52 0.05 -1.75 -1.49 -2.00 0.00 0.00 179.45 174.78 3ag4 h TRP 19 N 0.00 0.71 -0.92 0.07 4.06 -1.97 -0.20 115.95 117.69 3ag4 h TRP 19 Ca -0.00 -0.52 -0.01 0.00 2.06 0.00 0.00 58.89 60.42 3ag4 h TRP 19 Cb 0.15 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.24 3ag4 h TRP 19 CO 0.00 1.67 0.54 -0.09 -3.56 0.00 0.00 178.44 177.00 3ag4 h ARG 20 N 0.11 1.27 -0.51 0.49 2.43 -1.93 -1.49 114.38 114.75 3ag4 h ARG 20 Ca -0.34 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3ag4 h ARG 20 Cb 2.10 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 31.37 3ag4 h ARG 20 CO 0.18 0.90 0.33 1.25 -1.51 0.00 0.00 179.97 181.12 3ag4 h LEU 21 N 1.28 0.59 0.12 3.80 5.85 -1.19 -0.14 115.31 125.62 3ag4 h LEU 21 Ca 0.33 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.03 3ag4 h LEU 21 Cb -0.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3ag4 h LEU 21 CO -0.06 0.44 -0.20 0.25 -0.34 0.00 0.00 178.44 178.53 3ag4 h LEU 22 N 0.68 -0.55 -0.43 2.25 5.85 -0.67 0.11 115.31 122.55 3ag4 h LEU 22 Ca 0.18 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.06 3ag4 h LEU 22 Cb -0.06 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 3ag4 h LEU 22 CO -0.04 -0.28 -0.16 0.00 -0.34 0.00 0.00 178.44 177.62 3ag4 h ALA 23 N 0.41 0.19 -0.55 1.25 0.00 -1.02 -0.49 119.26 119.05 3ag4 h ALA 23 Ca 0.02 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ag4 h ALA 23 Cb 0.40 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3ag4 h ALA 23 CO -0.10 -0.51 0.15 0.52 0.00 0.00 0.00 179.25 179.31 3ag4 h MET 24 N -0.07 0.86 -0.60 0.00 2.86 -0.13 -1.93 114.93 115.92 3ag4 h MET 24 Ca 0.21 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3ag4 h MET 24 Cb 0.39 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3ag4 h MET 24 CO -0.48 0.80 0.24 0.52 1.06 0.00 0.00 176.91 179.05 3ag4 h MET 25 N 0.77 0.88 -0.07 1.72 2.07 -0.59 -0.24 114.93 119.47 3ag4 h MET 25 Ca 0.17 -0.14 -0.00 0.00 -2.07 0.00 0.00 59.70 57.66 3ag4 h MET 25 Cb 0.31 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 29.88 3ag4 h MET 25 CO -0.00 0.72 0.04 1.15 1.07 0.00 0.00 176.91 179.89 3ag4 h THR 26 N 0.87 1.07 -0.72 2.22 2.02 -0.90 -0.39 112.91 117.08 3ag4 h THR 26 Ca 0.20 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3ag4 h THR 26 Cb 0.17 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3ag4 h THR 26 CO -0.02 0.06 0.18 -0.07 0.37 0.00 0.00 175.52 176.04 3ag4 h LEU 27 N 0.03 1.08 0.38 2.58 3.38 -1.26 0.15 115.31 121.66 3ag4 h LEU 27 Ca 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3ag4 h LEU 27 Cb 0.06 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3ag4 h LEU 27 CO -0.00 1.03 -0.18 0.15 0.09 0.00 0.00 178.44 179.52 3ag4 h PHE 28 N 1.08 -0.47 -0.38 1.13 3.57 -0.81 0.53 116.94 121.59 3ag4 h PHE 28 Ca 0.23 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3ag4 h PHE 28 Cb 0.37 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3ag4 h PHE 28 CO 0.03 -0.25 -0.02 0.74 -2.23 0.00 0.00 178.31 176.59 3ag4 h PHE 29 N -1.11 0.75 -0.77 0.41 -1.00 -1.18 -3.04 116.94 111.01 3ag4 h PHE 29 Ca -0.05 -0.14 0.13 0.00 2.81 0.00 0.00 57.97 60.72 3ag4 h PHE 29 Cb 0.44 -0.19 -0.09 0.00 3.61 0.00 0.00 35.95 39.72 3ag4 h PHE 29 CO 0.01 0.78 0.35 0.78 -1.61 0.00 0.00 178.31 178.63 3ag4 h GLY 30 N 0.51 1.18 0.97 -1.45 0.00 -0.80 -1.78 103.07 101.70 3ag4 h GLY 30 Ca 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3ag4 h GLY 30 CO 0.02 -0.03 0.13 1.48 0.00 0.00 0.00 176.54 178.14 3ag4 h SER 31 N 0.54 0.75 0.03 0.19 4.64 -0.79 -1.56 113.55 117.36 3ag4 h SER 31 Ca 0.41 -0.23 0.02 0.00 -0.47 0.00 0.00 61.79 61.51 3ag4 h SER 31 Cb 0.55 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3ag4 h SER 31 CO -0.35 0.78 -0.12 1.23 -0.87 0.00 0.00 176.83 177.50 3ag4 h GLY 32 N 0.68 -0.17 0.89 -0.77 0.00 -1.42 -1.30 103.07 100.98 3ag4 h GLY 32 Ca 0.16 0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.65 3ag4 h GLY 32 CO 0.00 -0.12 0.42 -2.75 0.00 0.00 0.00 176.54 174.09 3ag4 h PHE 33 N -0.22 0.78 0.00 5.60 3.57 -1.35 -3.13 116.94 122.19 3ag4 h PHE 33 Ca 0.03 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 3ag4 h PHE 33 Cb 0.25 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3ag4 h PHE 33 CO -0.16 0.45 -0.47 0.00 -2.23 0.00 0.00 178.31 175.90 3ag4 h ALA 34 N 1.28 0.92 -0.27 2.41 0.00 -1.07 -3.36 119.26 119.17 3ag4 h ALA 34 Ca 0.26 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ag4 h ALA 34 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3ag4 h ALA 34 CO -0.10 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.67 3ag4 h ALA 35 N 1.53 0.18 -0.57 0.00 0.00 -1.18 -1.56 119.26 117.66 3ag4 h ALA 35 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ag4 h ALA 35 Cb 1.04 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3ag4 h ALA 35 CO 0.06 -0.47 0.38 -1.35 0.00 0.00 0.00 179.25 177.87 3ag4 h PRO 36 N -0.00 0.76 -0.34 0.00 0.11 -1.74 -0.40 132.00 130.38 3ag4 h PRO 36 Ca 0.13 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.22 3ag4 h PRO 36 Cb 0.20 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 3ag4 h PRO 36 CO -0.28 0.50 0.16 0.74 -0.21 0.00 0.00 178.00 178.92 3ag4 h PHE 37 N 0.78 0.30 -0.14 0.65 -1.00 -1.53 -0.49 116.94 115.51 3ag4 h PHE 37 Ca 0.21 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.96 3ag4 h PHE 37 Cb -0.08 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.38 3ag4 h PHE 37 CO 0.00 0.16 -0.13 0.74 -1.61 0.00 0.00 178.31 177.47 3ag4 h PHE 38 N 0.34 0.23 -0.24 -0.55 -1.00 -0.97 0.37 116.94 115.12 3ag4 h PHE 38 Ca 0.15 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.79 3ag4 h PHE 38 Cb 0.07 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 3ag4 h PHE 38 CO -0.10 0.35 -0.28 0.82 -1.61 0.00 0.00 178.31 177.49 3ag4 h ILE 39 N 0.21 1.32 -0.76 -0.55 2.04 -0.60 -0.50 117.51 118.66 3ag4 h ILE 39 Ca 0.04 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 3ag4 h ILE 39 Cb 0.37 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3ag4 h ILE 39 CO 0.02 0.46 0.46 0.58 0.00 0.00 0.00 178.15 179.66 3ag4 h VAL 40 N 0.32 1.21 -0.35 1.67 2.07 -0.71 -0.93 116.25 119.53 3ag4 h VAL 40 Ca 0.03 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3ag4 h VAL 40 Cb 0.85 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3ag4 h VAL 40 CO 0.07 0.22 0.17 -0.09 0.02 0.00 0.00 177.57 177.96 3ag4 h ARG 41 N 1.04 0.34 -0.44 1.57 2.43 -0.75 -1.12 114.38 117.44 3ag4 h ARG 41 Ca 0.27 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.49 3ag4 h ARG 41 Cb -0.04 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 3ag4 h ARG 41 CO -0.05 0.23 0.08 1.25 -1.51 0.00 0.00 179.97 179.97 3ag4 h HIS 42 N 0.36 0.13 -0.37 2.20 2.76 -0.78 0.64 115.15 120.09 3ag4 h HIS 42 Ca 0.15 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 3ag4 h HIS 42 Cb 0.06 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 3ag4 h HIS 42 CO -0.10 0.00 -0.15 1.96 -1.30 0.00 0.00 177.93 178.34 3ag4 h GLN 43 N 0.21 0.75 -0.73 5.26 1.08 -0.96 -2.26 115.11 118.47 3ag4 h GLN 43 Ca 0.22 -0.32 0.09 0.00 -1.45 0.00 0.00 58.65 57.19 3ag4 h GLN 43 Cb 0.27 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.61 3ag4 h GLN 43 CO -0.29 0.93 0.38 -0.07 -0.95 0.00 0.00 178.83 178.83 3ag4 h LEU 44 N 0.55 0.53 -0.23 1.46 3.38 -0.92 -2.78 115.31 117.28 3ag4 h LEU 44 Ca 0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ag4 h LEU 44 Cb 0.68 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3ag4 h LEU 44 CO 0.05 0.31 0.00 0.18 0.09 0.00 0.00 178.44 179.07 3ag4 n LEU 45 N -4.82 0.33 0.10 1.67 4.77 0.19 -3.29 117.00 115.95 3ag4 n LEU 45 Ca 0.11 0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 56.43 3ag4 n LEU 45 Cb 0.26 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.71 3ag4 n LEU 45 CO 0.26 -0.31 -0.08 0.11 -1.33 0.00 0.00 177.39 176.05 3ag4 h LYS 46 N 0.00 0.61 0.00 3.23 1.57 -1.11 -3.51 116.57 117.36 3ag4 h LYS 46 Ca 0.00 -0.83 0.00 0.00 -1.87 0.00 0.00 60.65 57.95 3ag4 h LYS 46 Cb 0.39 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3ag4 h LYS 46 CO 0.00 1.38 0.00 1.17 -0.57 0.00 0.00 179.45 181.43