#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 -0.26 -2.88 4.61 0.00 -1.26 -4.91 120.51 115.81 1yiu n ALA 2 Ca 0.00 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 1yiu n ALA 2 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 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 -3.45 3.63 0.00 0.00 -1.94 -1.26 -4.80 119.30 111.49 1yiu s MET 3 Ca 0.00 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.24 1yiu s MET 3 Cb 0.00 -4.99 0.00 0.00 2.01 0.00 0.00 34.83 31.85 1yiu s MET 3 CO 0.00 -1.83 0.00 0.41 -0.01 0.00 0.00 175.02 173.59 1yiu n GLY 4 N 5.58 -1.07 3.71 -0.03 0.00 -1.26 -4.96 105.19 107.16 1yiu n GLY 4 Ca 0.26 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.80 4.59 0.61 1.61 0.04 -1.26 -5.04 135.00 130.74 1yiu s PRO 5 Ca 0.00 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 1yiu s PRO 5 Cb 0.00 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 1yiu s PRO 5 CO 0.00 0.01 1.22 -0.51 0.04 0.00 0.00 177.00 177.76 1yiu s LEU 6 N 0.77 3.62 0.09 -3.56 2.01 -1.26 -4.91 118.68 115.43 1yiu s LEU 6 Ca 0.51 2.41 -0.35 0.00 0.01 0.00 0.00 54.13 56.71 1yiu s LEU 6 Cb -0.21 -4.60 -0.14 0.00 0.01 0.00 0.00 46.19 41.25 1yiu s LEU 6 CO 0.28 -1.71 1.60 -0.81 1.01 0.00 0.00 176.35 176.72 1yiu n PRO 7 N -1.75 1.96 -1.08 1.29 -0.04 -1.26 -4.52 135.00 129.60 1yiu n PRO 7 Ca 0.14 0.71 -0.27 0.00 -0.04 0.00 0.00 63.50 64.04 1yiu n PRO 7 Cb 0.49 -2.47 -0.12 0.00 -0.04 0.00 0.00 33.50 31.37 1yiu n PRO 7 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1yiu n PRO 8 N 3.93 0.00 0.00 0.54 -0.02 -1.26 0.00 135.00 138.20 1yiu n PRO 8 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1yiu n PRO 8 Cb 0.27 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 1yiu n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yiu n GLY 9 N 4.55 1.80 3.96 -1.23 0.00 -1.26 -4.96 105.19 108.05 1yiu n GLY 9 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.33 3.24 -0.02 1.61 0.52 0.10 0.22 118.94 123.28 1yiu s TRP 10 Ca 0.00 0.16 -0.29 0.00 0.02 0.00 0.00 56.10 56.00 1yiu s TRP 10 Cb 0.00 -2.20 0.09 0.00 -1.15 0.00 0.00 33.47 30.20 1yiu s TRP 10 CO 0.00 -0.24 0.75 -2.00 0.02 0.00 0.00 176.95 175.49 1yiu s GLU 11 N -4.46 0.99 -0.75 4.98 2.56 0.00 -4.62 118.70 117.41 1yiu s GLU 11 Ca 0.47 -0.01 -0.18 0.00 0.00 0.00 0.00 54.97 55.24 1yiu s GLU 11 Cb -0.10 0.46 0.13 0.00 2.00 0.00 0.00 34.13 36.62 1yiu s GLU 11 CO 0.36 -0.36 0.87 0.15 -0.56 0.00 0.00 175.26 175.73 1yiu s LYS 12 N -2.03 3.32 0.55 4.30 1.02 -1.26 -0.45 119.74 125.19 1yiu s LYS 12 Ca -0.04 -1.61 -0.03 0.00 0.02 0.00 0.00 55.97 54.31 1yiu s LYS 12 Cb -0.00 -4.49 0.02 0.00 -0.52 0.00 0.00 37.83 32.83 1yiu s LYS 12 CO 0.00 -1.60 0.82 1.03 -0.92 0.00 0.00 175.35 174.69 1yiu s ARG 13 N 2.39 2.82 0.03 1.68 0.52 0.90 -4.86 118.95 122.42 1yiu s ARG 13 Ca 0.20 -0.31 0.09 0.00 -0.52 0.00 0.00 55.73 55.19 1yiu s ARG 13 Cb -0.15 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.91 1yiu s ARG 13 CO -0.01 -0.63 -0.26 0.95 0.02 0.00 0.00 175.30 175.37 1yiu s THR 14 N -2.85 2.06 0.00 0.02 -4.23 -1.26 -0.41 115.64 108.97 1yiu s THR 14 Ca 0.53 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1yiu s THR 14 Cb -0.10 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1yiu s THR 14 CO 0.42 0.39 0.00 -0.90 -0.54 0.00 0.00 174.62 173.99 1yiu n ASP 15 N 1.93 0.00 0.29 3.99 5.75 -0.35 -4.92 116.55 123.25 1yiu n ASP 15 Ca -0.17 -0.89 0.18 0.00 -0.01 0.00 0.00 54.79 53.90 1yiu n ASP 15 Cb 0.52 0.00 0.79 0.00 -1.03 0.00 0.00 41.12 41.40 1yiu n ASP 15 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1yiu h SER 16 N 0.00 0.00 0.63 -1.12 4.64 -2.01 -2.60 113.55 113.08 1yiu h SER 16 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1yiu h SER 16 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1yiu h SER 16 CO 0.00 0.02 -1.52 -1.13 -0.87 0.00 0.00 176.83 173.33 1yiu h ASN 17 N 0.00 0.00 0.00 4.97 -1.24 -2.04 -3.47 115.58 113.79 1yiu h ASN 17 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1yiu h ASN 17 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1yiu h ASN 17 CO 0.00 0.78 0.00 0.61 -1.29 0.00 0.00 177.43 177.54 1yiu n GLY 18 N 1.46 1.30 3.86 1.57 0.00 -0.98 -5.10 105.19 107.30 1yiu n GLY 18 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1yiu n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yiu s ARG 19 N -0.39 3.86 -0.24 1.61 0.52 -1.26 -4.75 118.95 118.30 1yiu s ARG 19 Ca 0.00 0.59 -0.13 0.00 -0.52 0.00 0.00 55.73 55.68 1yiu s ARG 19 Cb 0.00 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.07 1yiu s ARG 19 CO 0.00 -0.03 0.25 0.14 0.02 0.00 0.00 175.30 175.69 1yiu s VAL 20 N -2.32 5.29 0.07 3.52 -7.23 -1.26 -1.21 120.40 117.27 1yiu s VAL 20 Ca 0.53 0.37 0.08 0.00 -1.81 0.00 0.00 61.98 61.15 1yiu s VAL 20 Cb -0.10 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.22 1yiu s VAL 20 CO 0.28 0.29 -0.22 -0.72 -0.31 0.00 0.00 175.10 174.41 1yiu s TYR 21 N 1.32 1.93 -0.31 2.82 -0.85 0.45 -4.89 117.35 117.82 1yiu s TYR 21 Ca 0.11 -0.39 -0.16 0.00 -0.52 0.00 0.00 57.07 56.12 1yiu s TYR 21 Cb -0.14 -1.12 -0.02 0.00 0.38 0.00 0.00 41.96 41.06 1yiu s TYR 21 CO 0.07 0.15 0.40 -0.06 -1.52 0.00 0.00 175.55 174.60 1yiu s PHE 22 N -0.93 3.22 -0.17 -3.49 0.40 0.13 -0.07 117.98 117.07 1yiu s PHE 22 Ca 0.08 0.23 -0.07 0.00 -0.60 0.00 0.00 56.93 56.58 1yiu s PHE 22 Cb -0.09 -2.68 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 1yiu s PHE 22 CO 0.03 -0.36 0.06 0.54 0.70 0.00 0.00 175.22 176.19 1yiu s VAL 23 N 2.13 4.82 -0.30 -0.44 0.11 0.41 -0.35 120.40 126.77 1yiu s VAL 23 Ca 0.15 -0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 1yiu s VAL 23 Cb -0.16 -3.15 -0.02 0.00 -1.53 0.00 0.00 36.38 31.52 1yiu s VAL 23 CO 0.11 0.49 0.16 0.21 -3.33 0.00 0.00 175.10 172.73 1yiu s ASN 24 N 0.15 5.61 0.41 3.54 3.84 -0.04 -0.82 114.94 127.64 1yiu s ASN 24 Ca 0.05 -0.42 0.24 0.00 0.21 0.00 0.00 52.86 52.94 1yiu s ASN 24 Cb -0.12 -2.02 0.49 0.00 -0.55 0.00 0.00 41.25 39.04 1yiu s ASN 24 CO 0.00 -0.17 1.66 0.45 -2.79 0.00 0.00 177.10 176.26 1yiu h HIS 25 N 8.36 0.00 0.39 0.43 3.86 -0.56 -0.22 115.15 127.40 1yiu h HIS 25 Ca -0.33 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.86 1yiu h HIS 25 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1yiu h HIS 25 CO 0.66 0.00 -0.19 -0.91 0.86 0.00 0.00 177.93 178.35 1yiu h ASN 26 N 0.00 -0.44 -0.07 2.45 4.21 -1.93 -3.37 115.58 116.43 1yiu h ASN 26 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1yiu h ASN 26 Cb 0.92 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 1yiu h ASN 26 CO 0.00 -0.15 0.00 1.07 -1.29 0.00 0.00 177.43 177.06 1yiu n THR 27 N -4.33 1.49 -3.20 2.81 5.66 -1.26 -5.02 114.28 110.44 1yiu n THR 27 Ca -0.06 -1.59 -0.13 0.00 -3.05 0.00 0.00 64.05 59.21 1yiu n THR 27 Cb 0.20 0.13 0.06 0.00 -1.55 0.00 0.00 70.33 69.17 1yiu n THR 27 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1yiu n ARG 28 N -0.75 -2.10 -3.66 1.09 5.12 -0.12 -4.99 116.66 111.24 1yiu n ARG 28 Ca 0.10 0.93 -0.38 0.00 -1.93 0.00 0.00 57.85 56.56 1yiu n ARG 28 Cb 0.49 -5.75 -0.12 0.00 -1.16 0.00 0.00 32.46 25.93 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 -3.34 4.65 -0.63 0.55 -1.09 -1.06 -4.88 121.20 115.41 1yiu s ILE 29 Ca 0.40 -0.29 -0.18 0.00 -2.23 0.00 0.00 60.65 58.36 1yiu s ILE 29 Cb -0.05 -3.31 0.12 0.00 -1.58 0.00 0.00 42.46 37.64 1yiu s ILE 29 CO 0.73 0.14 0.70 -0.89 -1.23 0.00 0.00 174.94 174.39 1yiu s THR 30 N 1.64 4.98 0.28 2.92 2.01 -1.26 -0.86 115.64 125.34 1yiu s THR 30 Ca 0.05 -1.29 0.06 0.00 0.31 0.00 0.00 61.69 60.82 1yiu s THR 30 Cb -0.17 -4.48 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 1yiu s THR 30 CO 0.06 -1.09 0.35 -1.58 -0.69 0.00 0.00 174.62 171.68 1yiu s GLN 31 N 2.20 3.19 0.00 4.92 2.00 0.52 -4.94 119.66 127.55 1yiu s GLN 31 Ca 0.12 -0.94 0.02 0.00 -2.00 0.00 0.00 55.36 52.56 1yiu s GLN 31 Cb -0.23 -2.77 -0.01 0.00 0.80 0.00 0.00 33.01 30.80 1yiu s GLN 31 CO 0.03 0.29 0.21 0.91 -0.50 0.00 0.00 175.29 176.23 1yiu n TRP 32 N -1.42 0.00 -4.30 1.67 7.02 -1.26 0.18 117.44 119.33 1yiu n TRP 32 Ca -0.06 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.12 1yiu n TRP 32 Cb 0.58 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.37 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 -0.96 2.32 -0.04 -0.99 2.02 -1.26 -4.79 118.70 115.01 1yiu s GLU 33 Ca 0.01 -0.90 -0.30 0.00 0.02 0.00 0.00 54.97 53.80 1yiu s GLU 33 Cb 0.02 -2.40 -0.06 0.00 0.10 0.00 0.00 34.13 31.79 1yiu s GLU 33 CO 0.07 0.54 1.56 0.34 0.02 0.00 0.00 175.26 177.80 1yiu s ASP 34 N -1.97 6.72 0.36 -0.19 2.15 -1.26 -4.85 116.67 117.64 1yiu s ASP 34 Ca 0.21 2.19 0.26 0.00 0.43 0.00 0.00 52.55 55.64 1yiu s ASP 34 Cb -0.11 -2.54 0.73 0.00 -0.30 0.00 0.00 42.92 40.69 1yiu s ASP 34 CO 0.12 -0.86 1.74 -0.65 -0.17 0.00 0.00 175.17 175.35 1yiu h PRO 35 N 8.87 0.00 0.00 4.34 0.11 -2.00 -3.38 132.00 139.94 1yiu h PRO 35 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 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 0.94 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.27 1yiu n ARG 36 N -2.73 0.00 0.00 1.05 1.74 -1.26 -4.94 116.66 110.51 1yiu n ARG 36 Ca 0.04 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1yiu n ARG 36 Cb 0.43 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 1yiu n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54