#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyy s ARG 2 N 0.00 -0.06 0.37 0.11 3.00 -1.26 -4.85 118.95 116.26 2jyy s ARG 2 Ca 0.00 0.31 -0.28 0.00 0.00 0.00 0.00 55.73 55.76 2jyy s ARG 2 Cb 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 34.95 34.43 2jyy s ARG 2 CO 0.00 -0.27 1.49 0.96 0.00 0.00 0.00 175.30 177.48 2jyy s ILE 3 N 1.75 2.06 -1.14 1.52 -4.36 -0.67 -4.90 121.20 115.46 2jyy s ILE 3 Ca -0.00 0.06 -0.17 0.00 -0.26 0.00 0.00 60.65 60.27 2jyy s ILE 3 Cb -0.12 -3.04 0.12 0.00 1.25 0.00 0.00 42.46 40.67 2jyy s ILE 3 CO -0.03 0.01 1.44 0.00 0.24 0.00 0.00 174.94 176.60 2jyy n THR 5 N 5.58 0.00 -3.74 0.00 -2.24 -1.26 -4.82 114.28 107.79 2jyy n THR 5 Ca 0.36 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.13 2jyy n THR 5 Cb 0.46 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2jyy n THR 5 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jyy s ASN 6 N 1.00 -0.10 0.29 3.42 4.22 -1.26 -0.50 114.94 122.01 2jyy s ASN 6 Ca 0.00 -0.35 0.03 0.00 -2.14 0.00 0.00 52.86 50.40 2jyy s ASN 6 Cb 0.00 0.36 0.65 0.00 1.28 0.00 0.00 41.25 43.54 2jyy s ASN 6 CO 0.00 -0.68 1.78 0.00 -2.04 0.00 0.00 177.10 176.16 2jyy h ALA 8 N 1.61 0.35 -0.14 0.00 0.00 -1.74 0.14 119.26 119.47 2jyy h ALA 8 Ca 0.53 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 2jyy h ALA 8 Cb 0.78 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2jyy h ALA 8 CO -0.37 0.05 0.11 0.00 0.00 0.00 0.00 179.25 179.05 2jyy n ALA 9 N -2.33 4.45 -3.01 0.00 0.00 -0.55 -2.75 120.51 116.31 2jyy n ALA 9 Ca -0.03 -0.59 -0.34 0.00 0.00 0.00 0.00 53.44 52.49 2jyy n ALA 9 Cb 0.22 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 2jyy n ALA 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jyy s GLY 10 N 1.45 1.67 0.21 0.00 0.00 -1.08 -4.43 107.32 105.13 2jyy s GLY 10 Ca 0.12 -0.85 -0.31 0.00 0.00 0.00 0.00 44.72 43.68 2jyy s GLY 10 CO -0.00 -0.08 1.56 -1.59 0.00 0.00 0.00 173.10 172.98 2jyy s THR 11 N 0.41 2.50 0.23 0.90 2.01 -1.26 -3.38 115.64 117.05 2jyy s THR 11 Ca -0.06 0.38 -0.32 0.00 0.31 0.00 0.00 61.69 62.01 2jyy s THR 11 Cb -0.15 -3.24 -0.13 0.00 0.01 0.00 0.00 72.50 68.99 2jyy s THR 11 CO 0.04 0.04 1.60 0.29 -0.69 0.00 0.00 174.62 175.90 2jyy n LYS 12 N 3.35 2.49 0.00 4.92 5.02 -1.26 -1.32 118.16 131.35 2jyy n LYS 12 Ca 0.12 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 2jyy n LYS 12 Cb 0.38 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 2jyy n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jyy n GLY 13 N 3.01 3.03 3.71 0.72 0.00 -1.26 -4.94 105.19 109.46 2jyy n GLY 13 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2jyy n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyy s LYS 15 N 0.82 3.98 -0.13 0.00 1.02 0.40 -2.32 119.74 123.51 2jyy s LYS 15 Ca 0.34 -0.25 -0.21 0.00 0.02 0.00 0.00 55.97 55.86 2jyy s LYS 15 Cb -0.17 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.47 2jyy s LYS 15 CO 0.15 -0.16 0.63 0.71 -0.92 0.00 0.00 175.35 175.76 2jyy s TYR 16 N 1.71 3.48 0.29 3.18 1.51 0.40 0.25 117.35 128.17 2jyy s TYR 16 Ca 0.09 1.05 0.11 0.00 -1.01 0.00 0.00 57.07 57.30 2jyy s TYR 16 Cb -0.16 -2.76 -0.05 0.00 -0.11 0.00 0.00 41.96 38.88 2jyy s TYR 16 CO 0.10 -0.01 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.29 2jyy s PHE 17 N 1.26 2.25 0.65 2.71 0.40 0.13 -0.57 117.98 124.81 2jyy s PHE 17 Ca 0.32 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 56.18 2jyy s PHE 17 Cb -0.16 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.33 2jyy s PHE 17 CO 0.13 0.65 0.98 -1.12 0.70 0.00 0.00 175.22 176.57 2jyy s SER 18 N -3.51 5.45 0.36 1.36 0.01 0.90 -1.43 113.70 116.84 2jyy s SER 18 Ca 0.30 0.84 0.06 0.00 1.31 0.00 0.00 55.95 58.45 2jyy s SER 18 Cb -0.03 -1.72 0.69 0.00 0.21 0.00 0.00 66.02 65.17 2jyy s SER 18 CO 0.15 -1.23 1.93 -2.24 0.41 0.00 0.00 173.24 172.26 2jyy h ASP 19 N -0.40 0.45 -0.34 2.44 3.04 -1.88 -2.35 116.42 117.38 2jyy h ASP 19 Ca -0.45 -0.07 -0.10 0.00 -3.24 0.00 0.00 57.03 53.17 2jyy h ASP 19 Cb 1.26 -0.12 -0.02 0.00 -1.04 0.00 0.00 39.33 39.42 2jyy h ASP 19 CO 0.62 0.48 -0.16 -2.24 -2.04 0.00 0.00 179.24 175.90 2jyy h ASP 20 N 0.48 0.80 0.00 4.15 3.04 -1.97 -3.47 116.42 119.45 2jyy h ASP 20 Ca 0.11 -0.26 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 2jyy h ASP 20 Cb 0.23 -0.22 0.00 0.00 -1.04 0.00 0.00 39.33 38.31 2jyy h ASP 20 CO 0.00 0.96 0.00 0.61 -2.04 0.00 0.00 179.24 178.77 2jyy n GLY 21 N -0.34 1.20 3.76 7.15 0.00 -0.88 -5.13 105.19 110.94 2jyy n GLY 21 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jyy n GLY 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jyy n THR 22 N 0.00 1.38 -2.39 2.61 -1.04 -1.26 -4.60 114.28 108.99 2jyy n THR 22 Ca 0.00 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 2jyy n THR 22 Cb 0.00 -1.98 -0.03 0.00 -1.82 0.00 0.00 70.33 66.50 2jyy n THR 22 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2jyy s PHE 23 N -0.41 3.00 -0.07 -1.42 5.36 -1.26 -0.07 117.98 123.11 2jyy s PHE 23 Ca 0.60 1.05 -0.03 0.00 -0.96 0.00 0.00 56.93 57.59 2jyy s PHE 23 Cb -0.48 -3.51 -0.01 0.00 -0.34 0.00 0.00 43.02 38.68 2jyy s PHE 23 CO 0.54 -1.73 -0.06 0.28 -1.46 0.00 0.00 175.22 172.80 2jyy h VAL 24 N 5.12 0.00 -1.15 3.12 2.07 -1.15 -3.47 116.25 120.79 2jyy h VAL 24 Ca -0.33 -0.55 0.29 0.00 0.82 0.00 0.00 66.70 66.93 2jyy h VAL 24 Cb 1.15 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.70 2jyy h VAL 24 CO 0.91 0.00 0.93 0.00 0.02 0.00 0.00 177.57 179.43 2jyy n GLU 26 N 0.10 1.63 -2.68 0.00 2.13 -1.26 -0.45 120.64 120.10 2jyy n GLU 26 Ca 0.03 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.43 2jyy n GLU 26 Cb 0.57 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.26 2jyy n GLU 26 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2jyy s GLY 27 N -1.00 1.50 -0.27 8.31 0.00 -0.98 -4.69 107.32 110.19 2jyy s GLY 27 Ca 0.00 -2.46 -0.01 0.00 0.00 0.00 0.00 44.72 42.26 2jyy s GLY 27 CO 0.00 2.47 1.96 1.18 0.00 0.00 0.00 173.10 178.71 2jyy n GLU 28 N 8.09 1.68 -1.52 2.90 -0.58 0.01 -4.37 120.64 126.85 2jyy n GLU 28 Ca 0.31 -1.34 -0.32 0.00 -0.42 0.00 0.00 57.16 55.39 2jyy n GLU 28 Cb 0.50 -1.52 -0.05 0.00 -0.57 0.00 0.00 31.44 29.80 2jyy n GLU 28 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2jyy n SER 29 N 0.45 7.49 -4.13 1.62 3.41 -1.11 -4.24 113.62 117.11 2jyy n SER 29 Ca 0.26 -2.87 -0.26 0.00 -0.26 0.00 0.00 58.87 55.74 2jyy n SER 29 Cb 0.60 -1.41 -0.16 0.00 -0.26 0.00 0.00 64.21 62.98 2jyy n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jyy s ASP 30 N 1.19 2.10 1.34 4.04 2.15 -1.26 -4.95 116.67 121.28 2jyy s ASP 30 Ca 0.62 -0.34 -0.21 0.00 0.43 0.00 0.00 52.55 53.05 2jyy s ASP 30 Cb 0.24 -0.54 0.32 0.00 -0.30 0.00 0.00 42.92 42.64 2jyy s ASP 30 CO -0.09 0.16 0.91 -2.65 -0.17 0.00 0.00 175.17 173.33 2jyy n PRO 31 N 3.09 -3.83 0.00 4.34 -0.02 -1.26 -3.94 135.00 133.38 2jyy n PRO 31 Ca -0.18 -1.49 0.00 0.00 -2.02 0.00 0.00 63.50 59.81 2jyy n PRO 31 Cb 0.53 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2jyy n PRO 31 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jyy n ARG 32 N -5.07 0.00 -2.89 -0.52 1.74 -1.26 -4.63 116.66 104.03 2jyy n ARG 32 Ca 0.13 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.09 2jyy n ARG 32 Cb 0.55 -0.10 0.01 0.00 -1.02 0.00 0.00 32.46 31.90 2jyy n ARG 32 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2jyy n ASN 33 N 1.14 0.93 -4.75 0.55 6.94 -1.25 -5.11 115.26 113.70 2jyy n ASN 33 Ca 0.00 -2.86 -0.41 0.00 -0.02 0.00 0.00 54.58 51.29 2jyy n ASN 33 Cb 0.00 -0.43 -0.03 0.00 -2.36 0.00 0.00 39.78 36.96 2jyy n ASN 33 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2jyy s PRO 34 N -2.59 4.44 -0.09 -0.53 0.04 -1.26 -4.93 135.00 130.08 2jyy s PRO 34 Ca 0.32 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.42 2jyy s PRO 34 Cb 0.41 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.80 2jyy s PRO 34 CO -0.02 -0.11 -0.14 0.15 0.04 0.00 0.00 177.00 176.92 2jyy s LYS 35 N -0.97 2.05 0.26 4.56 -0.14 -1.26 -5.04 119.74 119.19 2jyy s LYS 35 Ca 0.51 -0.51 0.00 0.00 -1.36 0.00 0.00 55.97 54.61 2jyy s LYS 35 Cb -0.36 -1.72 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 2jyy s LYS 35 CO 0.44 -0.02 0.00 0.00 -0.76 0.00 0.00 175.35 175.00 2jyy n ALA 36 N 4.06 -2.01 -1.90 5.17 0.00 -1.26 -4.25 120.51 120.32 2jyy n ALA 36 Ca -0.20 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 2jyy n ALA 36 Cb 0.51 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 2jyy n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyy s ALA 37 N -2.34 3.49 -0.90 0.00 0.00 -1.26 -4.90 121.76 115.85 2jyy s ALA 37 Ca 0.00 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 2jyy s ALA 37 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 2jyy s ALA 37 CO 0.00 -0.49 2.01 -2.30 0.00 0.00 0.00 175.76 174.98 2jyy n PRO 38 N 1.86 1.79 0.00 0.00 -0.02 -1.26 -3.31 135.00 134.07 2jyy n PRO 38 Ca 0.03 -1.91 0.00 0.00 -2.02 0.00 0.00 63.50 59.60 2jyy n PRO 38 Cb 0.43 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 2jyy n PRO 38 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2jyy n ARG 39 N 6.50 0.00 -2.91 -0.52 0.63 -1.26 -5.09 116.66 114.01 2jyy n ARG 39 Ca 0.50 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 57.01 2jyy n ARG 39 Cb 0.37 -0.09 -0.04 0.00 0.45 0.00 0.00 32.46 33.15 2jyy n ARG 39 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jyy s ASN 40 N -1.74 6.86 0.07 6.15 4.22 -1.21 -5.01 114.94 124.28 2jyy s ASN 40 Ca 0.00 1.06 -0.31 0.00 -2.14 0.00 0.00 52.86 51.47 2jyy s ASN 40 Cb 0.00 -2.43 -0.07 0.00 1.28 0.00 0.00 41.25 40.03 2jyy s ASN 40 CO 0.00 -0.45 1.39 0.00 -2.04 0.00 0.00 177.10 175.99 2jyy s ASP 42 N 1.39 6.85 0.48 0.00 -1.08 0.34 -4.89 116.67 119.75 2jyy s ASP 42 Ca 0.64 0.94 0.32 0.00 -0.52 0.00 0.00 52.55 53.94 2jyy s ASP 42 Cb -0.35 -2.54 1.71 0.00 -1.46 0.00 0.00 42.92 40.28 2jyy s ASP 42 CO 0.29 -0.98 1.98 1.55 0.52 0.00 0.00 175.17 178.54 2jyy h PRO 43 N 8.44 0.00 -0.10 4.34 0.13 -1.93 -1.77 132.00 141.11 2jyy h PRO 43 Ca -0.22 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.73 2jyy h PRO 43 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jyy h PRO 43 CO 1.05 0.00 -0.70 0.00 -0.23 0.00 0.00 178.00 178.12 2jyy h ARG 44 N 0.00 0.44 -6.08 0.86 3.08 -1.96 -3.44 114.38 107.28 2jyy h ARG 44 Ca 0.00 -0.35 -0.57 0.00 0.07 0.00 0.00 59.98 59.14 2jyy h ARG 44 Cb 0.05 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 2jyy h ARG 44 CO 0.00 0.98 0.00 0.42 -1.07 0.00 0.00 179.97 180.30 2jyy s ILE 45 N -3.68 4.92 -0.03 2.04 1.01 -0.67 -4.14 121.20 120.66 2jyy s ILE 45 Ca -0.06 1.28 -0.01 0.00 0.00 0.00 0.00 60.65 61.86 2jyy s ILE 45 Cb 0.10 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 2jyy s ILE 45 CO 0.84 0.40 -0.03 0.00 0.00 0.00 0.00 174.94 176.15 2jyy n ALA 46 N 2.85 2.65 -3.38 9.38 0.00 -0.80 -4.49 120.51 126.71 2jyy n ALA 46 Ca -0.06 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 2jyy n ALA 46 Cb 0.51 0.46 -0.08 0.00 0.00 0.00 0.00 19.45 20.34 2jyy n ALA 46 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2jyy s TYR 47 N -2.05 -0.46 -0.16 0.00 -0.85 -0.51 -1.67 117.35 111.64 2jyy s TYR 47 Ca -0.04 0.95 -0.03 0.00 -0.52 0.00 0.00 57.07 57.43 2jyy s TYR 47 Cb 0.01 0.22 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 2jyy s TYR 47 CO 0.05 -0.39 -0.05 0.20 -1.52 0.00 0.00 175.55 173.84 2jyy s GLY 48 N -0.61 1.68 -0.25 5.49 0.00 -1.26 0.20 107.32 112.56 2jyy s GLY 48 Ca -0.07 -0.88 -0.17 0.00 0.00 0.00 0.00 44.72 43.60 2jyy s GLY 48 CO 0.04 -0.01 0.45 -0.42 0.00 0.00 0.00 173.10 173.16 2jyy s ILE 49 N 0.54 5.13 0.15 0.90 -1.09 0.14 -4.86 121.20 122.11 2jyy s ILE 49 Ca -0.04 0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 59.12 2jyy s ILE 49 Cb -0.15 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 2jyy s ILE 49 CO 0.03 0.14 0.33 0.00 -1.23 0.00 0.00 174.94 174.21 2jyy s PRO 51 N -2.98 2.27 -0.91 0.00 0.04 -1.26 -2.41 135.00 129.74 2jyy s PRO 51 Ca 0.38 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.08 2jyy s PRO 51 Cb -0.12 -4.63 0.01 0.00 0.04 0.00 0.00 34.50 29.80 2jyy s PRO 51 CO 0.28 -3.30 0.79 1.28 0.04 0.00 0.00 177.00 176.08 2jyy n LEU 52 N 14.98 -3.08 0.00 -3.56 4.77 -1.26 -5.12 117.00 123.73 2jyy n LEU 52 Ca 0.33 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2jyy n LEU 52 Cb 0.51 -2.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.33 2jyy n LEU 52 CO 0.67 0.41 0.00 0.00 -1.33 0.00 0.00 177.39 177.13