#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y62 n PRO 4 N 0.00 1.76 0.29 5.56 -0.04 -1.26 -4.93 135.00 136.38 1y62 n PRO 4 Ca 0.00 0.64 0.16 0.00 -0.04 0.00 0.00 63.50 64.26 1y62 n PRO 4 Cb 0.00 -2.48 0.86 0.00 -0.04 0.00 0.00 33.50 31.83 1y62 n PRO 4 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1y62 h SER 5 N 1.64 0.00 0.14 3.54 0.87 -2.03 -2.61 113.55 115.11 1y62 h SER 5 Ca -0.50 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.04 1y62 h SER 5 Cb 1.30 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1y62 h SER 5 CO 0.58 0.06 -0.10 0.17 -0.53 0.00 0.00 176.83 177.01 1y62 h LEU 6 N 0.00 0.00 -2.21 2.23 8.10 -1.95 -2.26 115.31 119.22 1y62 h LEU 6 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1y62 h LEU 6 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1y62 h LEU 6 CO 0.01 0.10 0.00 0.00 -4.11 0.00 0.00 178.44 174.43 1y62 n ASP 8 N -2.73 2.18 -4.78 0.00 8.00 -0.85 -4.37 116.55 114.01 1y62 n ASP 8 Ca -0.02 -1.61 -0.37 0.00 0.71 0.00 0.00 54.79 53.50 1y62 n ASP 8 Cb 0.08 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1y62 n ASP 8 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1y62 s LEU 9 N -2.24 4.14 0.74 0.64 1.43 -0.36 -5.00 118.68 118.03 1y62 s LEU 9 Ca 0.25 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 1y62 s LEU 9 Cb 0.19 -4.14 0.04 0.00 0.03 0.00 0.00 46.19 42.31 1y62 s LEU 9 CO 0.43 -0.58 1.08 -2.84 0.23 0.00 0.00 176.35 174.67 1y62 s PRO 10 N -2.45 2.54 0.31 1.29 0.02 -1.26 -4.88 135.00 130.57 1y62 s PRO 10 Ca 0.58 1.00 -0.29 0.00 0.02 0.00 0.00 61.00 62.31 1y62 s PRO 10 Cb -0.25 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.23 1y62 s PRO 10 CO 0.31 -1.39 1.33 0.00 -0.33 0.00 0.00 177.00 176.92 1y62 s ALA 11 N -3.00 3.52 -0.19 -1.55 0.00 -1.26 -4.88 121.76 114.40 1y62 s ALA 11 Ca 0.60 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 53.78 1y62 s ALA 11 Cb -0.15 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.54 1y62 s ALA 11 CO 0.55 -0.65 0.06 0.34 0.00 0.00 0.00 175.76 176.06 1y62 s ASP 12 N -0.29 2.77 0.39 0.00 -1.08 -1.26 -5.02 116.67 112.18 1y62 s ASP 12 Ca 0.51 -0.79 0.12 0.00 -0.52 0.00 0.00 52.55 51.87 1y62 s ASP 12 Cb -0.40 -0.47 0.94 0.00 -1.46 0.00 0.00 42.92 41.53 1y62 s ASP 12 CO 0.50 -0.33 1.90 0.28 0.52 0.00 0.00 175.17 178.04 1y62 h SER 13 N 8.31 0.51 -2.46 -0.34 0.02 -1.95 -3.41 113.55 114.23 1y62 h SER 13 Ca -0.16 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1y62 h SER 13 Cb 1.12 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1y62 h SER 13 CO 0.33 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.90 1y62 n GLY 14 N -1.48 -1.65 0.23 -3.77 0.00 -1.26 -0.28 105.19 96.97 1y62 n GLY 14 Ca 0.15 -2.05 0.03 0.00 0.00 0.00 0.00 46.02 44.15 1y62 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y62 n SER 15 N 0.00 1.57 -2.34 1.61 3.41 0.17 -4.82 113.62 113.22 1y62 n SER 15 Ca 0.00 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1y62 n SER 15 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1y62 n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y62 n GLY 16 N 0.27 -1.38 0.00 5.00 0.00 -1.22 -4.97 105.19 102.89 1y62 n GLY 16 Ca 0.03 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1y62 n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y62 n THR 17 N -1.70 0.40 -2.24 2.61 -2.24 -1.15 -4.87 114.28 105.09 1y62 n THR 17 Ca 0.00 -0.57 -0.27 0.00 -2.27 0.00 0.00 64.05 60.93 1y62 n THR 17 Cb 0.00 0.92 0.04 0.00 -2.10 0.00 0.00 70.33 69.19 1y62 n THR 17 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1y62 s LYS 18 N -0.40 2.82 -0.38 -0.78 1.02 -0.54 -5.05 119.74 116.43 1y62 s LYS 18 Ca 0.00 0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.11 1y62 s LYS 18 Cb 0.00 -2.19 0.11 0.00 -0.52 0.00 0.00 37.83 35.23 1y62 s LYS 18 CO 0.00 -0.85 0.11 0.00 -0.92 0.00 0.00 175.35 173.69 1y62 s ALA 19 N -3.12 2.68 0.39 5.17 0.00 -1.26 -4.16 121.76 121.46 1y62 s ALA 19 Ca 0.56 -2.53 0.04 0.00 0.00 0.00 0.00 51.96 50.03 1y62 s ALA 19 Cb -0.11 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1y62 s ALA 19 CO 0.47 -1.77 0.14 -1.21 0.00 0.00 0.00 175.76 173.38 1y62 s GLU 20 N 0.77 1.88 -0.05 0.00 2.02 -0.90 -5.03 118.70 117.39 1y62 s GLU 20 Ca 0.12 -2.13 0.02 0.00 0.02 0.00 0.00 54.97 53.00 1y62 s GLU 20 Cb -0.20 -0.52 0.01 0.00 0.10 0.00 0.00 34.13 33.52 1y62 s GLU 20 CO -0.09 -0.48 -0.11 0.15 0.02 0.00 0.00 175.26 174.75 1y62 s LYS 21 N -3.71 1.48 0.30 1.61 -0.14 -1.26 -1.86 119.74 116.16 1y62 s LYS 21 Ca 0.26 -0.38 0.04 0.00 -1.36 0.00 0.00 55.97 54.53 1y62 s LYS 21 Cb 0.03 -1.27 -0.06 0.00 -1.68 0.00 0.00 37.83 34.85 1y62 s LYS 21 CO 0.16 0.05 0.04 1.03 -0.76 0.00 0.00 175.35 175.87 1y62 s ARG 22 N 0.54 1.58 -0.13 1.68 1.81 -0.39 -4.89 118.95 119.14 1y62 s ARG 22 Ca -0.11 -1.85 -0.02 0.00 -1.72 0.00 0.00 55.73 52.02 1y62 s ARG 22 Cb -0.14 -0.82 -0.03 0.00 -0.45 0.00 0.00 34.95 33.51 1y62 s ARG 22 CO 0.03 -0.16 -0.04 0.42 -0.68 0.00 0.00 175.30 174.86 1y62 s ILE 23 N -3.32 3.86 0.09 1.52 -1.09 0.11 -1.07 121.20 121.30 1y62 s ILE 23 Ca 0.35 -0.39 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 1y62 s ILE 23 Cb 0.08 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 1y62 s ILE 23 CO 0.14 0.53 -0.10 -0.72 -1.23 0.00 0.00 174.94 173.57 1y62 s TYR 24 N -0.04 0.99 -0.22 3.97 -0.85 -0.05 0.35 117.35 121.51 1y62 s TYR 24 Ca 0.01 -0.66 -0.20 0.00 -0.52 0.00 0.00 57.07 55.71 1y62 s TYR 24 Cb -0.13 -0.55 -0.03 0.00 0.38 0.00 0.00 41.96 41.63 1y62 s TYR 24 CO 0.03 -0.03 0.59 -0.47 -1.52 0.00 0.00 175.55 174.15 1y62 s TYR 25 N -2.38 3.34 -0.58 -3.49 5.04 -1.26 -0.96 117.35 117.05 1y62 s TYR 25 Ca 0.04 0.83 -0.16 0.00 -2.44 0.00 0.00 57.07 55.34 1y62 s TYR 25 Cb -0.03 -2.77 0.14 0.00 0.35 0.00 0.00 41.96 39.64 1y62 s TYR 25 CO -0.00 -0.21 0.56 1.21 -1.34 0.00 0.00 175.55 175.76 1y62 s ASN 26 N 1.29 6.26 0.39 4.32 3.84 -0.65 -4.80 114.94 125.60 1y62 s ASN 26 Ca 0.26 -1.87 0.11 0.00 0.21 0.00 0.00 52.86 51.58 1y62 s ASN 26 Cb -0.16 -2.22 0.79 0.00 -0.55 0.00 0.00 41.25 39.11 1y62 s ASN 26 CO 0.10 -0.85 1.89 0.77 -2.79 0.00 0.00 177.10 176.21 1y62 h SER 27 N 8.78 0.11 -0.33 -4.21 4.64 -1.84 0.86 113.55 121.57 1y62 h SER 27 Ca -0.25 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1y62 h SER 27 Cb 1.09 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1y62 h SER 27 CO 1.01 0.35 0.20 0.00 -0.87 0.00 0.00 176.83 177.52 1y62 h ALA 28 N 1.66 0.42 -0.00 5.18 0.00 -1.95 -2.58 119.26 121.98 1y62 h ALA 28 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y62 h ALA 28 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1y62 h ALA 28 CO 0.03 -0.09 -0.17 0.54 0.00 0.00 0.00 179.25 179.57 1y62 n ARG 29 N -4.82 0.69 -3.95 0.00 1.74 -1.07 -4.95 116.66 104.30 1y62 n ARG 29 Ca -0.01 -0.31 -0.29 0.00 -0.77 0.00 0.00 57.85 56.47 1y62 n ARG 29 Cb 0.05 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1y62 n ARG 29 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1y62 n LYS 30 N -0.89 -4.72 -3.65 5.56 2.85 0.27 -4.99 118.16 112.59 1y62 n LYS 30 Ca 0.13 0.54 -0.15 0.00 -1.05 0.00 0.00 58.31 57.77 1y62 n LYS 30 Cb 0.31 -5.25 -0.07 0.00 -0.65 0.00 0.00 35.03 29.36 1y62 n LYS 30 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1y62 s GLN 31 N -6.57 0.84 -0.25 -1.58 -2.07 -1.01 -5.03 119.66 103.98 1y62 s GLN 31 Ca 0.50 0.02 -0.26 0.00 -1.82 0.00 0.00 55.36 53.80 1y62 s GLN 31 Cb -0.26 0.38 0.00 0.00 -1.09 0.00 0.00 33.01 32.05 1y62 s GLN 31 CO 0.85 -0.25 0.91 0.00 -1.32 0.00 0.00 175.29 175.49 1y62 s LEU 33 N 3.05 2.50 0.14 0.00 1.43 -0.13 -4.91 118.68 120.75 1y62 s LEU 33 Ca 0.38 -1.52 -0.06 0.00 -1.03 0.00 0.00 54.13 51.90 1y62 s LEU 33 Cb -0.15 -0.73 -0.06 0.00 0.03 0.00 0.00 46.19 45.28 1y62 s LEU 33 CO 0.08 -0.68 0.39 -0.13 0.23 0.00 0.00 176.35 176.24 1y62 s ARG 34 N -3.80 3.65 0.06 1.70 0.52 -1.26 -0.87 118.95 118.95 1y62 s ARG 34 Ca 0.21 -0.03 -0.09 0.00 -0.52 0.00 0.00 55.73 55.30 1y62 s ARG 34 Cb 0.06 -2.85 -0.00 0.00 0.52 0.00 0.00 34.95 32.67 1y62 s ARG 34 CO 0.11 0.47 0.18 -0.59 0.02 0.00 0.00 175.30 175.48 1y62 s PHE 35 N -1.64 0.12 -0.21 -0.53 -0.12 -0.23 -4.92 117.98 110.45 1y62 s PHE 35 Ca 0.40 -0.46 -0.27 0.00 -0.05 0.00 0.00 56.93 56.56 1y62 s PHE 35 Cb -0.12 -0.06 -0.00 0.00 -0.63 0.00 0.00 43.02 42.20 1y62 s PHE 35 CO 0.23 -0.48 0.91 -0.51 -0.05 0.00 0.00 175.22 175.33 1y62 s ASP 36 N -2.49 6.99 -0.12 1.98 1.01 -1.26 -1.27 116.67 121.51 1y62 s ASP 36 Ca 0.00 1.23 0.03 0.00 0.71 0.00 0.00 52.55 54.52 1y62 s ASP 36 Cb 0.02 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1y62 s ASP 36 CO -0.08 -0.53 -0.21 -0.47 0.21 0.00 0.00 175.17 174.09 1y62 s TYR 37 N 2.71 2.64 -2.00 4.23 5.04 -0.78 -4.04 117.35 125.16 1y62 s TYR 37 Ca 0.40 -1.10 0.13 0.00 -2.44 0.00 0.00 57.07 54.07 1y62 s TYR 37 Cb -0.16 -1.77 0.80 0.00 0.35 0.00 0.00 41.96 41.18 1y62 s TYR 37 CO 0.09 -0.46 1.36 0.25 -1.34 0.00 0.00 175.55 175.45 1y62 n THR 38 N 3.74 0.00 -0.82 4.34 -2.24 0.62 -2.11 114.28 117.81 1y62 n THR 38 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1y62 n THR 38 Cb 0.52 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1y62 n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y62 n GLY 39 N 0.44 0.91 3.34 3.38 0.00 -1.26 -1.46 105.19 110.54 1y62 n GLY 39 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1y62 n GLY 39 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y62 s GLN 40 N -0.18 0.69 4.35 1.61 0.74 -1.26 -4.94 119.66 120.67 1y62 s GLN 40 Ca 0.00 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.63 1y62 s GLN 40 Cb 0.00 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.43 1y62 s GLN 40 CO 0.00 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 1y62 n GLY 41 N 1.81 0.82 7.00 2.59 0.00 -1.26 -0.66 105.19 115.50 1y62 n GLY 41 Ca -0.18 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1y62 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y62 n GLY 42 N 0.00 0.05 1.95 -0.02 0.00 -1.26 -4.84 105.19 101.07 1y62 n GLY 42 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 1y62 n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1y62 n ASN 43 N -0.42 0.72 0.00 1.61 0.23 -1.26 -5.00 115.26 111.15 1y62 n ASN 43 Ca 0.00 -2.28 0.12 0.00 -0.53 0.00 0.00 54.58 51.89 1y62 n ASN 43 Cb 0.00 0.70 0.69 0.00 -2.08 0.00 0.00 39.78 39.09 1y62 n ASN 43 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1y62 n GLU 44 N -0.50 0.62 -2.82 -3.83 -0.58 -1.26 -4.09 120.64 108.18 1y62 n GLU 44 Ca -0.01 0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.32 1y62 n GLU 44 Cb 0.36 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 1y62 n GLU 44 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1y62 n ASN 45 N -1.11 5.85 -3.62 1.62 5.15 -1.26 -4.82 115.26 117.08 1y62 n ASN 45 Ca 0.16 -3.26 -0.07 0.00 -0.60 0.00 0.00 54.58 50.82 1y62 n ASN 45 Cb 0.12 -1.36 -0.08 0.00 -0.53 0.00 0.00 39.78 37.93 1y62 n ASN 45 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1y62 s ASN 46 N -0.38 -0.43 0.02 1.20 3.84 -1.26 -4.54 114.94 113.39 1y62 s ASN 46 Ca 0.34 1.04 0.03 0.00 0.21 0.00 0.00 52.86 54.49 1y62 s ASN 46 Cb 0.05 1.55 -0.01 0.00 -0.55 0.00 0.00 41.25 42.28 1y62 s ASN 46 CO 0.05 -0.24 -0.10 -0.36 -2.79 0.00 0.00 177.10 173.67 1y62 s PHE 47 N 2.67 0.85 0.05 0.43 0.40 0.16 -4.93 117.98 117.61 1y62 s PHE 47 Ca -0.01 -0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 1y62 s PHE 47 Cb -0.12 -0.53 -0.31 0.00 0.51 0.00 0.00 43.02 42.56 1y62 s PHE 47 CO -0.14 -0.01 1.08 0.00 0.70 0.00 0.00 175.22 176.84 1y62 h ARG 48 N 5.40 0.43 -5.85 0.44 3.08 -1.93 0.30 114.38 116.25 1y62 h ARG 48 Ca -0.33 -0.72 -0.67 0.00 0.07 0.00 0.00 59.98 58.33 1y62 h ARG 48 Cb 1.19 0.26 -0.21 0.00 0.08 0.00 0.00 29.97 31.29 1y62 h ARG 48 CO 0.46 1.34 -0.70 1.03 -1.07 0.00 0.00 179.97 181.03 1y62 s ARG 49 N -2.67 3.03 0.27 0.04 0.52 -1.26 -4.73 118.95 114.16 1y62 s ARG 49 Ca -0.07 -0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 54.55 1y62 s ARG 49 Cb 0.06 -2.66 0.41 0.00 0.52 0.00 0.00 34.95 33.27 1y62 s ARG 49 CO 0.92 0.51 1.90 1.15 0.02 0.00 0.00 175.30 179.79 1y62 h THR 50 N 4.61 1.12 -0.55 0.02 2.02 -1.96 -2.61 112.91 115.55 1y62 h THR 50 Ca -0.41 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 1y62 h THR 50 Cb 1.18 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1y62 h THR 50 CO 0.55 0.22 0.16 0.22 0.37 0.00 0.00 175.52 177.04 1y62 h TYR 51 N 1.19 0.85 -0.35 3.16 3.20 -1.99 -1.97 116.97 121.04 1y62 h TYR 51 Ca 0.41 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 1y62 h TYR 51 Cb 0.10 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1y62 h TYR 51 CO -0.00 0.69 -0.06 -0.44 -1.64 0.00 0.00 178.16 176.71 1y62 h ASP 52 N 0.80 0.56 -0.42 -2.11 3.32 -1.90 -0.55 116.42 116.12 1y62 h ASP 52 Ca 0.18 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1y62 h ASP 52 Cb 0.25 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1y62 h ASP 52 CO -0.01 0.67 0.04 0.00 -1.72 0.00 0.00 179.24 178.22 1y62 h GLN 54 N 0.75 0.05 -0.81 0.00 4.20 -0.67 0.13 115.11 118.77 1y62 h GLN 54 Ca 0.15 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.92 1y62 h GLN 54 Cb 0.40 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1y62 h GLN 54 CO 0.01 0.59 0.53 0.00 -0.67 0.00 0.00 178.83 179.29 1y62 h ARG 55 N -0.48 0.77 0.17 1.46 3.08 -1.11 0.24 114.38 118.51 1y62 h ARG 55 Ca 0.00 -0.05 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 1y62 h ARG 55 Cb 0.59 -0.17 0.03 0.00 0.08 0.00 0.00 29.97 30.49 1y62 h ARG 55 CO 0.01 0.51 -1.01 1.15 -1.07 0.00 0.00 179.97 179.55 1y62 h THR 56 N 0.79 1.44 0.00 2.04 2.02 -1.43 -3.42 112.91 114.35 1y62 h THR 56 Ca 0.36 -2.56 -0.08 0.00 0.77 0.00 0.00 66.41 64.90 1y62 h THR 56 Cb 0.37 3.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.88 1y62 h THR 56 CO -0.14 0.74 -1.63 0.00 0.37 0.00 0.00 175.52 174.86