#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 0.00 -0.46 2.24 0.00 -1.26 -4.05 120.51 116.98 1iyt n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iyt n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1iyt n ALA 2 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1iyt n GLU 3 N 0.00 0.25 0.13 0.00 0.28 -1.26 -4.70 120.64 115.34 1iyt n GLU 3 Ca 0.00 -0.55 -0.14 0.00 -0.16 0.00 0.00 57.16 56.31 1iyt n GLU 3 Cb 0.00 -0.77 -0.08 0.00 1.43 0.00 0.00 31.44 32.02 1iyt n GLU 3 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1iyt h PHE 4 N 0.00 -0.27 0.10 -1.84 -1.00 -1.97 -3.03 116.94 108.93 1iyt h PHE 4 Ca 0.00 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1iyt h PHE 4 Cb 0.41 0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.06 1iyt h PHE 4 CO 0.00 -0.02 -0.05 0.00 -1.61 0.00 0.00 178.31 176.63 1iyt h ARG 5 N -0.50 -0.13 0.00 1.51 3.08 -1.93 -2.41 114.38 114.00 1iyt h ARG 5 Ca -0.03 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1iyt h ARG 5 Cb 0.38 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1iyt h ARG 5 CO 0.05 0.02 -0.05 1.25 -1.07 0.00 0.00 179.97 180.17 1iyt h HIS 6 N -0.25 0.00 -0.26 3.04 2.76 -1.85 -1.57 115.15 117.02 1iyt h HIS 6 Ca -0.01 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1iyt h HIS 6 Cb 0.21 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1iyt h HIS 6 CO -0.03 0.05 0.05 -0.25 -1.30 0.00 0.00 177.93 176.45 1iyt n ASP 7 N -3.87 2.95 -0.23 3.26 8.00 -0.91 -4.53 116.55 121.22 1iyt n ASP 7 Ca -0.03 -2.42 -0.09 0.00 0.71 0.00 0.00 54.79 52.97 1iyt n ASP 7 Cb 0.14 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.62 1iyt n ASP 7 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1iyt h SER 8 N 1.35 -1.59 0.16 -2.24 4.64 -1.30 0.20 113.55 114.78 1iyt h SER 8 Ca 0.05 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1iyt h SER 8 Cb 1.21 0.72 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1iyt h SER 8 CO 0.24 -0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 1iyt n GLY 9 N -1.39 -0.60 0.11 -0.77 0.00 -1.26 -0.57 105.19 100.71 1iyt n GLY 9 Ca 0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1iyt n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1iyt n TYR 10 N -1.40 0.08 -0.30 1.61 9.36 -0.02 -4.53 117.16 121.96 1iyt n TYR 10 Ca 0.02 0.03 0.12 0.00 3.32 0.00 0.00 57.90 61.40 1iyt n TYR 10 Cb 0.06 -0.77 0.29 0.00 -0.63 0.00 0.00 39.34 38.29 1iyt n TYR 10 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1iyt h GLU 11 N -1.00 0.34 0.00 2.98 4.39 -0.39 -3.08 114.58 117.82 1iyt h GLU 11 Ca -0.35 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1iyt h GLU 11 Cb 1.28 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1iyt h GLU 11 CO -0.21 0.23 0.00 1.55 -1.16 0.00 0.00 179.01 179.42 1iyt n VAL 12 N -5.09 0.00 -0.09 3.13 3.14 0.26 -1.12 118.33 118.57 1iyt n VAL 12 Ca 0.21 1.32 -0.08 0.00 -2.96 0.00 0.00 64.34 62.84 1iyt n VAL 12 Cb 0.64 -1.81 -0.00 0.00 -1.06 0.00 0.00 33.84 31.61 1iyt n VAL 12 CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 1iyt h HIS 13 N 0.00 0.27 -0.82 1.45 3.86 -1.82 0.55 115.15 118.63 1iyt h HIS 13 Ca 0.00 0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.42 1iyt h HIS 13 Cb 0.00 -0.07 -0.13 0.00 1.06 0.00 0.00 27.41 28.27 1iyt h HIS 13 CO -0.66 0.14 0.22 0.45 0.86 0.00 0.00 177.93 178.94 1iyt h HIS 14 N 0.31 0.33 0.04 2.45 -0.00 -1.27 0.39 115.15 117.40 1iyt h HIS 14 Ca 0.13 0.05 -0.35 0.00 -0.00 0.00 0.00 60.37 60.20 1iyt h HIS 14 Cb 0.06 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.41 1iyt h HIS 14 CO -0.11 -0.14 -2.07 0.00 -0.00 0.00 0.00 177.93 175.61 1iyt n GLN 15 N -5.18 0.69 0.23 2.45 10.64 -0.28 -4.08 117.38 121.85 1iyt n GLN 15 Ca 0.18 0.21 0.08 0.00 -1.83 0.00 0.00 57.00 55.64 1iyt n GLN 15 Cb 0.57 -1.67 0.63 0.00 -0.86 0.00 0.00 30.24 28.91 1iyt n GLN 15 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1iyt h LYS 16 N 0.03 0.04 -0.07 2.61 3.11 0.51 0.73 116.57 123.51 1iyt h LYS 16 Ca -0.43 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.37 1iyt h LYS 16 Cb 2.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 33.26 1iyt h LYS 16 CO 0.04 0.03 -0.06 -0.07 -2.81 0.00 0.00 179.45 176.57 1iyt h LEU 17 N 0.04 0.18 0.14 5.20 3.38 -0.38 0.16 115.31 124.03 1iyt h LEU 17 Ca 0.02 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1iyt h LEU 17 Cb 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1iyt h LEU 17 CO -0.00 0.62 -0.07 0.58 0.09 0.00 0.00 178.44 179.66 1iyt h VAL 18 N -0.25 0.86 -0.29 1.22 2.07 -1.57 0.84 116.25 119.14 1iyt h VAL 18 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1iyt h VAL 18 Cb 0.56 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 1iyt h VAL 18 CO 0.02 0.00 -0.25 0.15 0.02 0.00 0.00 177.57 177.51 1iyt h PHE 19 N -0.18 -0.66 -0.19 1.57 3.57 -0.83 0.08 116.94 120.30 1iyt h PHE 19 Ca -0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1iyt h PHE 19 Cb 0.14 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1iyt h PHE 19 CO -0.07 -0.32 0.11 0.35 -2.23 0.00 0.00 178.31 176.14 1iyt h PHE 20 N -0.23 0.26 -0.56 0.41 3.57 -0.43 0.18 116.94 120.13 1iyt h PHE 20 Ca 0.15 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.76 1iyt h PHE 20 Cb 0.47 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 39.03 1iyt h PHE 20 CO -0.42 0.22 -0.05 0.00 -2.23 0.00 0.00 178.31 175.83 1iyt h ALA 21 N 1.01 0.49 0.14 2.41 0.00 -0.41 0.12 119.26 123.01 1iyt h ALA 21 Ca 0.07 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1iyt h ALA 21 Cb 0.05 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1iyt h ALA 21 CO -0.01 -0.41 -0.07 0.93 0.00 0.00 0.00 179.25 179.69 1iyt h GLU 22 N 0.07 -0.18 -0.28 0.00 4.39 -0.48 0.19 114.58 118.30 1iyt h GLU 22 Ca 0.28 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.05 1iyt h GLU 22 Cb 0.45 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1iyt h GLU 22 CO -0.51 -0.04 -0.08 0.22 -1.16 0.00 0.00 179.01 177.43 1iyt h ASP 23 N -0.27 -0.29 0.50 1.42 3.58 0.13 0.18 116.42 121.67 1iyt h ASP 23 Ca -0.02 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1iyt h ASP 23 Cb 0.21 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1iyt h ASP 23 CO 0.03 -0.10 -0.24 0.58 -2.88 0.00 0.00 179.24 176.63 1iyt h VAL 24 N -0.02 0.51 -0.26 2.25 2.07 -0.78 -2.96 116.25 117.05 1iyt h VAL 24 Ca 0.13 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1iyt h VAL 24 Cb 0.22 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1iyt h VAL 24 CO -0.29 0.01 -0.12 1.23 0.02 0.00 0.00 177.57 178.42 1iyt h GLY 25 N -0.71 0.10 -2.58 2.17 0.00 0.00 -0.02 103.07 102.05 1iyt h GLY 25 Ca -0.07 0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 1iyt h GLY 25 CO 0.11 -0.14 0.20 1.44 0.00 0.00 0.00 176.54 178.14 1iyt n SER 26 N -5.29 3.17 -2.03 0.19 7.64 0.58 -3.76 113.62 114.13 1iyt n SER 26 Ca -0.01 -2.52 -0.04 0.00 1.01 0.00 0.00 58.87 57.31 1iyt n SER 26 Cb 0.21 -0.61 0.05 0.00 -1.01 0.00 0.00 64.21 62.85 1iyt n SER 26 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1iyt n ASN 27 N -0.03 -1.28 -0.19 6.43 5.15 -0.07 -4.97 115.26 120.30 1iyt n ASN 27 Ca 0.19 -2.13 -0.02 0.00 -0.60 0.00 0.00 54.58 52.02 1iyt n ASN 27 Cb 0.86 0.54 0.08 0.00 -0.53 0.00 0.00 39.78 40.73 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 0.62 0.44 -1.48 1.20 1.57 -1.52 0.68 116.57 118.07 1iyt h LYS 28 Ca -0.50 -0.03 0.45 0.00 -1.87 0.00 0.00 60.65 58.71 1iyt h LYS 28 Cb 1.34 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.46 1iyt h LYS 28 CO -0.23 0.29 1.02 0.78 -0.57 0.00 0.00 179.45 180.75 1iyt h GLY 29 N 0.45 0.59 0.04 3.86 0.00 -1.92 0.51 103.07 106.61 1iyt h GLY 29 Ca 0.27 -0.06 -0.32 0.00 0.00 0.00 0.00 47.33 47.22 1iyt h GLY 29 CO -0.24 -0.16 -1.74 0.00 0.00 0.00 0.00 176.54 174.40 1iyt n ALA 30 N -2.70 0.93 1.43 3.60 0.00 0.09 -4.29 120.51 119.57 1iyt n ALA 30 Ca 0.36 -0.70 0.07 0.00 0.00 0.00 0.00 53.44 53.18 1iyt n ALA 30 Cb 1.54 -0.35 0.43 0.00 0.00 0.00 0.00 19.45 21.07 1iyt n ALA 30 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1iyt n ILE 31 N -4.27 0.00 -0.77 0.00 -0.00 -0.36 -4.89 119.36 109.07 1iyt n ILE 31 Ca -0.39 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.03 1iyt n ILE 31 Cb 0.78 -0.46 0.13 0.00 -0.00 0.00 0.00 39.64 40.09 1iyt n ILE 31 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1iyt n ILE 32 N -0.82 0.00 0.00 1.39 5.41 0.17 -2.05 119.36 123.46 1iyt n ILE 32 Ca 0.11 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1iyt n ILE 32 Cb 0.05 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 1iyt n ILE 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1iyt n GLY 33 N 1.71 1.61 0.16 7.39 0.00 -1.26 -4.34 105.19 110.46 1iyt n GLY 33 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1iyt n GLY 33 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1iyt h LEU 34 N 0.00 0.46 -0.30 0.99 8.10 -1.93 0.36 115.31 122.99 1iyt h LEU 34 Ca 0.00 -0.29 0.06 0.00 0.11 0.00 0.00 57.88 57.77 1iyt h LEU 34 Cb 0.00 -0.12 -0.06 0.00 -0.44 0.00 0.00 40.66 40.03 1iyt h LEU 34 CO 0.00 0.63 -0.10 -0.03 -4.11 0.00 0.00 178.44 174.83 1iyt h MET 35 N 0.27 -0.04 -0.49 0.17 4.05 -1.61 0.25 114.93 117.54 1iyt h MET 35 Ca 0.08 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1iyt h MET 35 Cb 0.38 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 1iyt h MET 35 CO 0.01 -0.03 0.16 0.28 0.23 0.00 0.00 176.91 177.56 1iyt h VAL 36 N -0.04 1.23 0.00 -5.77 2.07 -1.80 -1.31 116.25 110.62 1iyt h VAL 36 Ca 0.15 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 1iyt h VAL 36 Cb 0.27 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1iyt h VAL 36 CO -0.34 0.28 -0.35 1.23 0.02 0.00 0.00 177.57 178.41 1iyt h GLY 37 N 0.66 0.00 0.13 2.17 0.00 0.11 0.14 103.07 106.28 1iyt h GLY 37 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1iyt h GLY 37 CO -0.01 0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 175.19 1iyt h GLY 38 N 1.30 -0.03 2.00 4.60 0.00 -0.48 -3.39 103.07 107.07 1iyt h GLY 38 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1iyt h GLY 38 CO 0.05 -0.01 0.00 -0.24 0.00 0.00 0.00 176.54 176.33 1iyt h VAL 39 N -0.90 0.00 -0.99 4.60 3.04 -0.64 -3.20 116.25 118.16 1iyt h VAL 39 Ca -0.00 -0.75 0.18 0.00 -1.01 0.00 0.00 66.70 65.12 1iyt h VAL 39 Cb 0.74 1.74 -0.10 0.00 -2.01 0.00 0.00 31.29 31.66 1iyt h VAL 39 CO 0.01 0.00 0.61 1.62 -1.01 0.00 0.00 177.57 178.80 1iyt h VAL 40 N 0.00 0.73 -2.49 1.51 3.04 -0.93 -3.39 116.25 114.71 1iyt h VAL 40 Ca 0.00 -0.26 -0.50 0.00 -1.01 0.00 0.00 66.70 64.93 1iyt h VAL 40 Cb 0.77 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 29.96 1iyt h VAL 40 CO 0.00 0.14 -0.41 -0.63 -1.01 0.00 0.00 177.57 175.66 1iyt s ILE 41 N -5.81 5.26 0.00 3.17 1.09 -1.21 -5.13 121.20 118.57 1iyt s ILE 41 Ca -0.11 -0.72 0.00 0.00 -1.10 0.00 0.00 60.65 58.72 1iyt s ILE 41 Cb 0.24 -3.80 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 1iyt s ILE 41 CO 0.80 -0.24 0.00 0.00 -0.10 0.00 0.00 174.94 175.41