#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yiu n ALA 2 N 0.00 -1.20 -3.09 4.61 0.00 -1.26 -4.83 120.51 114.74 1yiu n ALA 2 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 1yiu n ALA 2 Cb 0.00 -4.55 -0.09 0.00 0.00 0.00 0.00 19.45 14.81 1yiu n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1yiu s MET 3 N -6.26 0.64 0.00 0.00 1.00 -1.26 -5.10 119.30 108.32 1yiu s MET 3 Ca 0.54 -0.39 0.00 0.00 0.00 0.00 0.00 55.69 55.84 1yiu s MET 3 Cb -0.25 0.27 0.00 0.00 0.00 0.00 0.00 34.83 34.85 1yiu s MET 3 CO 0.66 -0.18 0.00 0.41 0.00 0.00 0.00 175.02 175.92 1yiu n GLY 4 N 1.10 0.62 3.90 -0.03 0.00 -1.26 -4.99 105.19 104.53 1yiu n GLY 4 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1yiu n GLY 4 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yiu s PRO 5 N -0.37 0.41 0.77 1.61 0.04 -1.26 -5.08 135.00 131.12 1yiu s PRO 5 Ca 0.00 -0.39 -0.12 0.00 0.04 0.00 0.00 61.00 60.53 1yiu s PRO 5 Cb 0.00 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.78 1yiu s PRO 5 CO 0.00 -2.57 1.13 -0.51 0.04 0.00 0.00 177.00 175.09 1yiu s LEU 6 N -6.01 2.65 0.56 -3.56 2.01 -1.26 -5.04 118.68 108.04 1yiu s LEU 6 Ca 0.74 1.03 -0.20 0.00 0.01 0.00 0.00 54.13 55.71 1yiu s LEU 6 Cb -0.04 -3.66 -0.05 0.00 0.01 0.00 0.00 46.19 42.45 1yiu s LEU 6 CO 0.53 -1.72 1.21 -2.84 1.01 0.00 0.00 176.35 174.54 1yiu s PRO 7 N -5.39 3.16 -0.60 1.29 0.02 -1.26 -4.84 135.00 127.38 1yiu s PRO 7 Ca 0.60 1.84 -0.28 0.00 0.02 0.00 0.00 61.00 63.18 1yiu s PRO 7 Cb -0.12 -2.05 -0.11 0.00 0.02 0.00 0.00 34.50 32.25 1yiu s PRO 7 CO 0.51 -1.06 2.48 -0.35 -0.33 0.00 0.00 177.00 178.25 1yiu n PRO 8 N -1.32 0.81 0.00 5.54 -0.04 -1.26 0.09 135.00 138.82 1yiu n PRO 8 Ca 0.12 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1yiu n PRO 8 Cb 0.49 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1yiu n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yiu n GLY 9 N 6.14 1.92 3.98 0.55 0.00 -1.26 -4.98 105.19 111.54 1yiu n GLY 9 Ca 0.44 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.26 1yiu n GLY 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1yiu s TRP 10 N -1.54 3.28 -0.07 1.61 0.52 0.11 -1.47 118.94 121.38 1yiu s TRP 10 Ca 0.00 -0.12 -0.30 0.00 0.02 0.00 0.00 56.10 55.70 1yiu s TRP 10 Cb 0.00 -1.78 0.11 0.00 -1.15 0.00 0.00 33.47 30.65 1yiu s TRP 10 CO 0.00 0.21 0.94 -2.00 0.02 0.00 0.00 176.95 176.12 1yiu s GLU 11 N -4.08 0.72 -0.92 4.98 2.56 -0.58 -4.58 118.70 116.81 1yiu s GLU 11 Ca 0.40 -0.13 -0.15 0.00 0.00 0.00 0.00 54.97 55.08 1yiu s GLU 11 Cb -0.09 0.33 0.19 0.00 2.00 0.00 0.00 34.13 36.56 1yiu s GLU 11 CO 0.30 -0.29 0.97 0.15 -0.56 0.00 0.00 175.26 175.84 1yiu s LYS 12 N -2.39 3.71 0.24 4.30 1.02 -1.26 -0.77 119.74 124.59 1yiu s LYS 12 Ca 0.03 -2.33 -0.06 0.00 0.02 0.00 0.00 55.97 53.63 1yiu s LYS 12 Cb -0.01 -4.65 -0.06 0.00 -0.52 0.00 0.00 37.83 32.60 1yiu s LYS 12 CO -0.05 -1.48 0.51 1.03 -0.92 0.00 0.00 175.35 174.44 1yiu s ARG 13 N 0.93 3.67 -0.13 1.68 0.52 0.45 -4.86 118.95 121.21 1yiu s ARG 13 Ca 0.26 0.03 -0.15 0.00 -0.52 0.00 0.00 55.73 55.35 1yiu s ARG 13 Cb -0.08 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.65 1yiu s ARG 13 CO -0.08 0.30 0.37 0.95 0.02 0.00 0.00 175.30 176.85 1yiu s THR 14 N -1.93 5.24 0.73 0.02 -4.23 -1.26 -0.85 115.64 113.36 1yiu s THR 14 Ca 0.44 0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 61.60 1yiu s THR 14 Cb -0.11 -3.71 0.16 0.00 1.34 0.00 0.00 72.50 70.18 1yiu s THR 14 CO 0.27 0.39 1.00 -0.67 -0.54 0.00 0.00 174.62 175.06 1yiu n ASP 15 N 3.39 0.60 0.04 3.99 2.03 0.12 -4.96 116.55 121.76 1yiu n ASP 15 Ca -0.10 -1.68 -0.11 0.00 0.52 0.00 0.00 54.79 53.41 1yiu n ASP 15 Cb 0.52 -0.71 -0.06 0.00 -0.72 0.00 0.00 41.12 40.15 1yiu n ASP 15 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1yiu h SER 16 N -1.01 -0.12 -0.66 1.67 4.64 -1.98 -2.82 113.55 113.27 1yiu h SER 16 Ca -0.33 0.02 -0.32 0.00 -0.47 0.00 0.00 61.79 60.70 1yiu h SER 16 Cb 1.02 0.05 -0.19 0.00 -0.31 0.00 0.00 62.40 62.98 1yiu h SER 16 CO 0.28 -0.06 0.40 -0.46 -0.87 0.00 0.00 176.83 176.12 1yiu n ASN 17 N -5.15 3.62 0.00 4.97 0.23 -1.26 -4.80 115.26 112.87 1yiu n ASN 17 Ca -0.06 -3.06 0.00 0.00 -0.53 0.00 0.00 54.58 50.93 1yiu n ASN 17 Cb 0.08 -0.72 0.00 0.00 -2.08 0.00 0.00 39.78 37.06 1yiu n ASN 17 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1yiu n GLY 18 N -0.51 1.71 3.49 4.83 0.00 -1.06 -5.02 105.19 108.63 1yiu n GLY 18 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 1yiu n GLY 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1yiu n ARG 19 N -2.00 -1.97 -4.63 1.61 0.63 -1.26 -4.70 116.66 104.34 1yiu n ARG 19 Ca 0.00 -0.54 -0.23 0.00 -0.92 0.00 0.00 57.85 56.16 1yiu n ARG 19 Cb 0.00 -2.16 -0.15 0.00 0.45 0.00 0.00 32.46 30.60 1yiu n ARG 19 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1yiu s VAL 20 N -2.43 1.11 0.07 5.15 -7.23 -1.26 0.10 120.40 115.91 1yiu s VAL 20 Ca 0.67 -0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 60.26 1yiu s VAL 20 Cb -0.24 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1yiu s VAL 20 CO 0.64 0.32 -0.01 -0.72 -0.31 0.00 0.00 175.10 175.03 1yiu s TYR 21 N -0.10 0.60 -0.33 2.82 -0.85 -0.03 -4.92 117.35 114.54 1yiu s TYR 21 Ca 0.01 -1.11 -0.11 0.00 -0.52 0.00 0.00 57.07 55.34 1yiu s TYR 21 Cb -0.08 -0.41 -0.00 0.00 0.38 0.00 0.00 41.96 41.85 1yiu s TYR 21 CO 0.00 -0.41 0.19 -0.06 -1.52 0.00 0.00 175.55 173.75 1yiu s PHE 22 N -3.95 3.20 -0.11 -3.49 0.40 0.87 -0.41 117.98 114.50 1yiu s PHE 22 Ca 0.11 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.74 1yiu s PHE 22 Cb 0.08 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 41.16 1yiu s PHE 22 CO -0.07 -0.49 0.25 0.54 0.70 0.00 0.00 175.22 176.15 1yiu s VAL 23 N 1.62 5.32 -0.44 -0.44 0.11 0.05 -0.48 120.40 126.15 1yiu s VAL 23 Ca 0.04 0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 59.54 1yiu s VAL 23 Cb -0.18 -3.55 0.12 0.00 -1.53 0.00 0.00 36.38 31.24 1yiu s VAL 23 CO 0.07 0.53 0.22 0.21 -3.33 0.00 0.00 175.10 172.80 1yiu s ASN 24 N -0.47 5.13 0.08 3.54 3.84 0.65 -1.52 114.94 126.18 1yiu s ASN 24 Ca 0.17 -2.24 0.25 0.00 0.21 0.00 0.00 52.86 51.24 1yiu s ASN 24 Cb -0.13 -1.79 0.98 0.00 -0.55 0.00 0.00 41.25 39.75 1yiu s ASN 24 CO 0.06 -0.47 1.77 0.00 -2.79 0.00 0.00 177.10 175.66 1yiu n HIS 25 N 4.27 0.32 0.26 0.43 1.44 -0.54 0.37 115.22 121.78 1yiu n HIS 25 Ca 0.01 0.10 -0.11 0.00 -2.01 0.00 0.00 57.72 55.71 1yiu n HIS 25 Cb 0.40 -0.67 -0.05 0.00 0.12 0.00 0.00 29.99 29.79 1yiu n HIS 25 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1yiu h ASN 26 N 0.00 -0.59 -0.16 4.39 2.35 -1.93 -3.32 115.58 116.32 1yiu h ASN 26 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1yiu h ASN 26 Cb 0.49 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1yiu h ASN 26 CO 0.00 -0.31 0.00 0.35 -1.65 0.00 0.00 177.43 175.82 1yiu n THR 27 N -4.48 0.19 -3.33 2.81 -2.24 -1.21 -4.95 114.28 101.07 1yiu n THR 27 Ca -0.09 -0.50 -0.18 0.00 -2.27 0.00 0.00 64.05 61.02 1yiu n THR 27 Cb 0.28 0.94 0.06 0.00 -2.10 0.00 0.00 70.33 69.51 1yiu n THR 27 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yiu n ARG 28 N 0.97 -6.10 -4.05 -0.78 5.12 0.16 -5.00 116.66 106.98 1yiu n ARG 28 Ca 0.17 0.64 -0.35 0.00 -1.93 0.00 0.00 57.85 56.38 1yiu n ARG 28 Cb 0.50 -5.11 -0.11 0.00 -1.16 0.00 0.00 32.46 26.58 1yiu n ARG 28 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1yiu s ILE 29 N -3.25 4.50 -0.43 0.55 -1.09 -0.00 -4.93 121.20 116.54 1yiu s ILE 29 Ca 0.42 -0.13 -0.17 0.00 -2.23 0.00 0.00 60.65 58.53 1yiu s ILE 29 Cb -0.19 -3.03 0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1yiu s ILE 29 CO 0.56 0.44 0.46 -0.89 -1.23 0.00 0.00 174.94 174.29 1yiu s THR 30 N 0.60 5.06 0.28 2.92 2.01 -1.26 -0.26 115.64 124.99 1yiu s THR 30 Ca 0.02 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 61.72 1yiu s THR 30 Cb -0.13 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1yiu s THR 30 CO 0.02 -0.48 0.07 -1.58 -0.69 0.00 0.00 174.62 171.96 1yiu s GLN 31 N 2.18 2.44 -0.01 4.92 0.74 0.37 -4.98 119.66 125.31 1yiu s GLN 31 Ca 0.12 -1.38 0.03 0.00 0.05 0.00 0.00 55.36 54.19 1yiu s GLN 31 Cb -0.18 -2.25 -0.05 0.00 1.10 0.00 0.00 33.01 31.64 1yiu s GLN 31 CO 0.13 0.30 0.06 0.91 -0.55 0.00 0.00 175.29 176.15 1yiu n TRP 32 N -1.02 0.00 -2.54 1.67 7.02 -1.26 -0.09 117.44 121.22 1yiu n TRP 32 Ca -0.06 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.14 1yiu n TRP 32 Cb 0.59 -0.10 -0.00 0.00 -2.42 0.00 0.00 31.31 29.38 1yiu n TRP 32 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1yiu s GLU 33 N -2.21 3.59 -0.05 -0.99 2.02 -1.26 -4.75 118.70 115.06 1yiu s GLU 33 Ca -0.01 0.34 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 1yiu s GLU 33 Cb 0.02 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 1yiu s GLU 33 CO 0.14 -0.24 1.10 0.34 0.02 0.00 0.00 175.26 176.63 1yiu s ASP 34 N -3.96 7.17 0.38 -0.19 2.15 -1.26 -4.74 116.67 116.22 1yiu s ASP 34 Ca 0.49 1.72 0.18 0.00 0.43 0.00 0.00 52.55 55.37 1yiu s ASP 34 Cb -0.10 -2.56 0.74 0.00 -0.30 0.00 0.00 42.92 40.69 1yiu s ASP 34 CO 0.44 -0.48 1.78 -0.65 -0.17 0.00 0.00 175.17 176.09 1yiu h PRO 35 N 7.16 0.00 0.00 4.34 0.11 -1.97 -2.94 132.00 138.70 1yiu h PRO 35 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1yiu h PRO 35 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1yiu h PRO 35 CO 0.84 0.38 0.00 0.00 -0.21 0.00 0.00 178.00 179.01 1yiu h ARG 36 N 0.00 0.00 0.00 1.05 3.08 -1.92 -3.49 114.38 113.10 1yiu h ARG 36 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yiu h ARG 36 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1yiu h ARG 36 CO 0.05 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.82