#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyt n ALA 2 N 0.00 6.71 -0.99 2.12 0.00 -1.26 -4.51 120.51 122.58 1iyt n ALA 2 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.87 1iyt n ALA 2 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 16.87 1iyt n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iyt n GLU 3 N 2.46 -1.66 -0.12 0.00 1.02 -1.26 -4.84 120.64 116.24 1iyt n GLU 3 Ca 0.54 0.41 -0.10 0.00 -0.02 0.00 0.00 57.16 57.99 1iyt n GLU 3 Cb 0.66 -4.70 -0.02 0.00 -0.02 0.00 0.00 31.44 27.36 1iyt n GLU 3 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1iyt h PHE 4 N 0.00 0.57 -0.02 -0.32 3.57 -2.01 -2.27 116.94 116.46 1iyt h PHE 4 Ca 0.00 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1iyt h PHE 4 Cb 0.83 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1iyt h PHE 4 CO 0.52 0.56 -0.06 0.00 -2.23 0.00 0.00 178.31 177.10 1iyt h ARG 5 N 0.42 0.07 0.00 1.11 3.08 -1.90 -3.12 114.38 114.04 1iyt h ARG 5 Ca 0.11 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1iyt h ARG 5 Cb 0.26 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1iyt h ARG 5 CO -0.00 0.70 0.00 0.72 -1.07 0.00 0.00 179.97 180.31 1iyt n HIS 6 N -4.71 0.54 0.46 3.04 8.25 -1.23 -3.47 115.22 118.09 1iyt n HIS 6 Ca -0.09 0.21 -0.18 0.00 -0.26 0.00 0.00 57.72 57.41 1iyt n HIS 6 Cb 0.35 -0.85 -0.09 0.00 1.12 0.00 0.00 29.99 30.53 1iyt n HIS 6 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1iyt h ASP 7 N 0.00 -1.00 -0.35 0.41 1.82 -1.34 -2.70 116.42 113.27 1iyt h ASP 7 Ca 0.00 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.74 1iyt h ASP 7 Cb 0.31 0.26 -0.06 0.00 0.68 0.00 0.00 39.33 40.52 1iyt h ASP 7 CO 0.00 -0.65 -0.01 0.28 -1.61 0.00 0.00 179.24 177.25 1iyt h SER 8 N -1.31 -0.17 -1.00 2.28 0.02 -1.69 0.94 113.55 112.62 1iyt h SER 8 Ca -0.12 0.08 0.18 0.00 -0.84 0.00 0.00 61.79 61.09 1iyt h SER 8 Cb 0.90 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 63.49 1iyt h SER 8 CO 0.20 -0.05 0.62 1.23 -1.14 0.00 0.00 176.83 177.68 1iyt h GLY 9 N 0.08 1.73 0.15 -3.77 0.00 -1.71 0.21 103.07 99.77 1iyt h GLY 9 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1iyt h GLY 9 CO -0.29 -0.02 0.00 2.98 0.00 0.00 0.00 176.54 179.20 1iyt n TYR 10 N -4.73 0.06 0.00 5.60 9.36 0.26 -4.07 117.16 123.63 1iyt n TYR 10 Ca 0.23 -0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.42 1iyt n TYR 10 Cb 0.54 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 1iyt n TYR 10 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1iyt n GLU 11 N -0.48 0.00 -0.34 2.98 1.02 0.01 -4.62 120.64 119.21 1iyt n GLU 11 Ca 0.13 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 1iyt n GLU 11 Cb 0.12 -0.44 -0.09 0.00 -0.02 0.00 0.00 31.44 31.01 1iyt n GLU 11 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1iyt h VAL 12 N 0.00 0.00 -0.19 2.62 2.07 -0.84 0.24 116.25 120.14 1iyt h VAL 12 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1iyt h VAL 12 Cb 0.80 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1iyt h VAL 12 CO 0.00 0.00 -0.33 0.45 0.02 0.00 0.00 177.57 177.71 1iyt h HIS 13 N -0.05 0.71 -0.93 1.57 3.86 -1.82 0.22 115.15 118.71 1iyt h HIS 13 Ca 0.13 -0.25 0.15 0.00 -1.16 0.00 0.00 60.37 59.24 1iyt h HIS 13 Cb 0.39 -0.14 -0.08 0.00 1.06 0.00 0.00 27.41 28.64 1iyt h HIS 13 CO -0.98 0.98 0.60 0.45 0.86 0.00 0.00 177.93 179.84 1iyt h HIS 14 N 0.24 0.92 0.10 2.45 -0.00 -1.59 0.47 115.15 117.74 1iyt h HIS 14 Ca 0.01 0.03 -0.27 0.00 -0.00 0.00 0.00 60.37 60.14 1iyt h HIS 14 Cb 0.92 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 28.04 1iyt h HIS 14 CO 0.09 0.33 -1.36 0.37 -0.00 0.00 0.00 177.93 177.36 1iyt h GLN 15 N 0.77 0.22 -0.84 2.45 4.15 -0.40 -3.06 115.11 118.40 1iyt h GLN 15 Ca 0.48 -0.38 0.16 0.00 0.77 0.00 0.00 58.65 59.68 1iyt h GLN 15 Cb 0.70 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.47 1iyt h GLN 15 CO -0.24 1.18 0.55 -0.22 -1.93 0.00 0.00 178.83 178.17 1iyt h LYS 16 N -0.36 0.48 0.03 1.69 3.11 -0.16 0.31 116.57 121.66 1iyt h LYS 16 Ca -0.30 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.41 1iyt h LYS 16 Cb 1.71 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 32.85 1iyt h LYS 16 CO 0.04 0.31 -0.45 1.37 -2.81 0.00 0.00 179.45 177.92 1iyt h LEU 17 N 0.49 0.34 -0.16 5.20 8.10 -0.15 0.14 115.31 129.27 1iyt h LEU 17 Ca 0.42 -0.84 0.00 0.00 0.11 0.00 0.00 57.88 57.57 1iyt h LEU 17 Cb 0.91 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 41.02 1iyt h LEU 17 CO -0.16 1.14 0.10 0.58 -4.11 0.00 0.00 178.44 175.99 1iyt h VAL 18 N -0.43 1.06 0.01 0.15 2.07 -1.41 -0.66 116.25 117.05 1iyt h VAL 18 Ca -0.07 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1iyt h VAL 18 Cb 1.24 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1iyt h VAL 18 CO 0.09 0.06 -0.07 0.15 0.02 0.00 0.00 177.57 177.82 1iyt h PHE 19 N 0.20 -0.17 -0.18 1.57 3.57 -0.33 0.13 116.94 121.72 1iyt h PHE 19 Ca 0.06 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1iyt h PHE 19 Cb 0.01 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1iyt h PHE 19 CO -0.06 -0.11 0.11 0.35 -2.23 0.00 0.00 178.31 176.38 1iyt h PHE 20 N -0.13 0.24 -0.62 0.41 3.57 -0.65 0.28 116.94 120.05 1iyt h PHE 20 Ca 0.02 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1iyt h PHE 20 Cb 0.15 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.74 1iyt h PHE 20 CO -0.13 0.20 0.22 0.00 -2.23 0.00 0.00 178.31 176.37 1iyt h ALA 21 N 1.02 0.79 -0.35 2.41 0.00 -0.78 0.17 119.26 122.53 1iyt h ALA 21 Ca 0.07 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1iyt h ALA 21 Cb 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1iyt h ALA 21 CO -0.01 -0.21 0.05 0.93 0.00 0.00 0.00 179.25 180.01 1iyt h GLU 22 N 0.39 0.59 -0.72 0.00 4.39 -0.34 0.24 114.58 119.12 1iyt h GLU 22 Ca 0.31 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.86 1iyt h GLU 22 Cb 0.40 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 1iyt h GLU 22 CO -0.32 0.67 0.48 -0.44 -1.16 0.00 0.00 179.01 178.24 1iyt h ASP 23 N 0.42 0.83 0.02 1.42 5.19 0.34 0.33 116.42 124.97 1iyt h ASP 23 Ca 0.11 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1iyt h ASP 23 Cb 0.38 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1iyt h ASP 23 CO 0.01 0.60 -0.01 0.58 -3.12 0.00 0.00 179.24 177.30 1iyt h VAL 24 N 0.98 1.08 -0.58 -1.35 2.07 -0.52 -3.13 116.25 114.80 1iyt h VAL 24 Ca 0.27 -1.74 -0.10 0.00 0.82 0.00 0.00 66.70 65.95 1iyt h VAL 24 Cb -0.11 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1iyt h VAL 24 CO -0.06 0.36 -0.02 1.23 0.02 0.00 0.00 177.57 179.10 1iyt h GLY 25 N -0.98 1.13 -2.43 2.17 0.00 -0.45 -3.19 103.07 99.32 1iyt h GLY 25 Ca -0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 47.33 46.22 1iyt h GLY 25 CO 0.00 0.78 -0.03 -1.26 0.00 0.00 0.00 176.54 176.04 1iyt n SER 26 N -4.20 2.95 -2.72 0.19 2.88 0.12 -4.28 113.62 108.55 1iyt n SER 26 Ca 0.02 -3.78 -0.01 0.00 -1.33 0.00 0.00 58.87 53.77 1iyt n SER 26 Cb 0.36 -0.65 0.08 0.00 -0.75 0.00 0.00 64.21 63.24 1iyt n SER 26 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1iyt n ASN 27 N -1.10 0.31 -0.20 -3.46 5.15 -1.18 -4.86 115.26 109.92 1iyt n ASN 27 Ca 0.38 -2.10 -0.04 0.00 -0.60 0.00 0.00 54.58 52.22 1iyt n ASN 27 Cb 1.07 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 40.39 1iyt n ASN 27 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1iyt h LYS 28 N 1.90 0.65 -1.33 1.20 1.57 -1.74 0.13 116.57 118.94 1iyt h LYS 28 Ca -0.27 -0.04 0.39 0.00 -1.87 0.00 0.00 60.65 58.86 1iyt h LYS 28 Cb 1.30 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 33.37 1iyt h LYS 28 CO 0.02 0.43 0.92 0.78 -0.57 0.00 0.00 179.45 181.03 1iyt h GLY 29 N 0.67 0.64 0.00 3.86 0.00 -1.93 0.24 103.07 106.55 1iyt h GLY 29 Ca 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1iyt h GLY 29 CO -0.12 -0.14 -0.35 0.00 0.00 0.00 0.00 176.54 175.92 1iyt h ALA 30 N 1.44 0.03 -0.80 3.60 0.00 -1.21 -3.34 119.26 118.98 1iyt h ALA 30 Ca 0.71 -0.40 0.14 0.00 0.00 0.00 0.00 54.91 55.36 1iyt h ALA 30 Cb 2.46 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 20.44 1iyt h ALA 30 CO -0.19 0.28 0.38 0.82 0.00 0.00 0.00 179.25 180.54 1iyt h ILE 31 N -1.00 0.72 -0.79 0.00 5.03 -0.37 0.08 117.51 121.18 1iyt h ILE 31 Ca -0.04 -0.19 0.13 0.00 -0.12 0.00 0.00 64.86 64.64 1iyt h ILE 31 Cb 0.47 0.11 -0.14 0.00 -3.03 0.00 0.00 36.82 34.23 1iyt h ILE 31 CO -0.03 0.10 -0.34 0.40 -0.68 0.00 0.00 178.15 177.60 1iyt h ILE 32 N 0.56 0.10 -0.57 -0.67 2.04 -0.74 0.36 117.51 118.59 1iyt h ILE 32 Ca 0.43 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.37 1iyt h ILE 32 Cb 0.60 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 1iyt h ILE 32 CO -0.36 0.00 0.20 1.23 0.00 0.00 0.00 178.15 179.22 1iyt h GLY 33 N -0.08 0.77 2.00 5.37 0.00 -1.10 -0.61 103.07 109.43 1iyt h GLY 33 Ca 0.30 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1iyt h GLY 33 CO -0.83 -0.01 -0.25 1.41 0.00 0.00 0.00 176.54 176.86 1iyt h LEU 34 N 0.38 0.00 0.15 3.11 3.38 -1.06 0.14 115.31 121.41 1iyt h LEU 34 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1iyt h LEU 34 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1iyt h LEU 34 CO -0.29 0.25 -0.07 -0.03 0.09 0.00 0.00 178.44 178.39 1iyt h MET 35 N 0.00 -0.19 -0.18 1.13 4.05 0.11 0.45 114.93 120.29 1iyt h MET 35 Ca -0.00 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1iyt h MET 35 Cb 0.90 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.73 1iyt h MET 35 CO 0.03 -0.01 0.01 0.28 0.23 0.00 0.00 176.91 177.45 1iyt h VAL 36 N -0.35 1.25 -0.08 -5.77 2.07 -1.00 -1.03 116.25 111.34 1iyt h VAL 36 Ca -0.02 -0.83 -0.15 0.00 0.82 0.00 0.00 66.70 66.53 1iyt h VAL 36 Cb 0.27 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1iyt h VAL 36 CO 0.03 0.25 -0.60 1.23 0.02 0.00 0.00 177.57 178.51 1iyt h GLY 37 N 0.08 0.29 1.31 2.17 0.00 -0.70 -1.07 103.07 105.15 1iyt h GLY 37 Ca 0.05 -0.35 -0.31 0.00 0.00 0.00 0.00 47.33 46.72 1iyt h GLY 37 CO 0.01 0.31 -1.47 -1.33 0.00 0.00 0.00 176.54 174.06 1iyt h GLY 38 N 1.44 0.38 -3.25 4.60 0.00 -0.13 -3.35 103.07 102.77 1iyt h GLY 38 Ca -0.01 -0.97 -0.44 0.00 0.00 0.00 0.00 47.33 45.91 1iyt h GLY 38 CO 0.09 0.85 0.20 -0.62 0.00 0.00 0.00 176.54 177.07 1iyt n VAL 39 N -3.54 2.97 -0.27 4.60 0.31 -0.39 -4.62 118.33 117.38 1iyt n VAL 39 Ca -0.15 -2.85 0.01 0.00 -0.01 0.00 0.00 64.34 61.33 1iyt n VAL 39 Cb 1.06 -0.69 0.14 0.00 -0.91 0.00 0.00 33.84 33.43 1iyt n VAL 39 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1iyt h VAL 40 N 1.19 0.95 -1.75 2.52 3.04 -1.33 -3.42 116.25 117.46 1iyt h VAL 40 Ca 0.44 -0.27 -0.46 0.00 -1.01 0.00 0.00 66.70 65.39 1iyt h VAL 40 Cb 1.71 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1iyt h VAL 40 CO 0.91 0.14 -0.38 -0.63 -1.01 0.00 0.00 177.57 176.61 1iyt s ILE 41 N -6.06 3.61 0.00 3.17 1.01 -1.26 -5.10 121.20 116.56 1iyt s ILE 41 Ca -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.35 1iyt s ILE 41 Cb 0.18 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1iyt s ILE 41 CO 0.78 -0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.59