#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 0.42 0.29 0.11 0.52 -1.26 -4.78 118.95 114.25 2jyy s ARG 2 Ca 0.00 0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 55.70 2jyy s ARG 2 Cb 0.00 0.03 -0.09 0.00 0.52 0.00 0.00 34.95 35.41 2jyy s ARG 2 CO 0.00 -0.14 1.05 0.96 0.02 0.00 0.00 175.30 177.19 2jyy s ILE 3 N 1.21 3.70 -1.37 1.52 -4.36 -1.15 -4.93 121.20 115.81 2jyy s ILE 3 Ca -0.08 1.62 -0.07 0.00 -0.26 0.00 0.00 60.65 61.86 2jyy s ILE 3 Cb -0.07 -3.99 0.05 0.00 1.25 0.00 0.00 42.46 39.70 2jyy s ILE 3 CO -0.11 0.32 2.58 0.00 0.24 0.00 0.00 174.94 177.97 2jyy s THR 5 N -0.22 0.42 0.73 0.00 -4.23 -1.25 -4.51 115.64 106.58 2jyy s THR 5 Ca 0.59 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.07 2jyy s THR 5 Cb 0.19 -0.51 0.12 0.00 1.34 0.00 0.00 72.50 73.64 2jyy s THR 5 CO -0.09 0.23 1.01 0.54 -0.54 0.00 0.00 174.62 175.77 2jyy s ASN 6 N 1.34 4.33 0.24 3.99 4.22 -1.25 -4.75 114.94 123.06 2jyy s ASN 6 Ca -0.05 -0.21 -0.05 0.00 -2.14 0.00 0.00 52.86 50.42 2jyy s ASN 6 Cb -0.13 -0.20 0.45 0.00 1.28 0.00 0.00 41.25 42.64 2jyy s ASN 6 CO -0.02 -1.87 1.72 0.00 -2.04 0.00 0.00 177.10 174.89 2jyy h ALA 8 N 1.55 0.30 -0.01 0.00 0.00 -1.90 0.31 119.26 119.51 2jyy h ALA 8 Ca 0.41 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 2jyy h ALA 8 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jyy h ALA 8 CO -0.42 -0.19 -0.50 0.00 0.00 0.00 0.00 179.25 178.15 2jyy h ALA 9 N 1.04 1.17 -2.64 0.00 0.00 -1.54 -3.08 119.26 114.20 2jyy h ALA 9 Ca 0.08 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 53.98 2jyy h ALA 9 Cb 0.03 -0.08 0.10 0.00 0.00 0.00 0.00 17.79 17.84 2jyy h ALA 9 CO -0.02 0.62 0.67 0.41 0.00 0.00 0.00 179.25 180.93 2jyy n GLY 10 N -0.10 0.92 3.68 0.00 0.00 0.98 -4.83 105.19 105.85 2jyy n GLY 10 Ca -0.02 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 2jyy n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jyy s THR 11 N -0.71 3.41 0.23 2.61 2.01 -1.26 -2.82 115.64 119.11 2jyy s THR 11 Ca 0.59 0.79 -0.31 0.00 0.31 0.00 0.00 61.69 63.06 2jyy s THR 11 Cb -0.54 -3.51 -0.12 0.00 0.01 0.00 0.00 72.50 68.34 2jyy s THR 11 CO 0.58 -0.01 1.70 -0.75 -0.69 0.00 0.00 174.62 175.45 2jyy s LYS 12 N 2.72 4.12 0.00 4.92 2.20 -1.25 -1.60 119.74 130.84 2jyy s LYS 12 Ca 0.69 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.92 2jyy s LYS 12 Cb -0.35 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2jyy s LYS 12 CO 0.29 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 2jyy n GLY 13 N 3.53 2.06 3.73 5.54 0.00 -1.26 -4.88 105.19 113.90 2jyy n GLY 13 Ca 0.14 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 0.46 3.89 -0.17 0.00 3.01 -0.01 -1.55 119.74 125.37 2jyy s LYS 15 Ca 0.33 -0.21 -0.20 0.00 -1.01 0.00 0.00 55.97 54.87 2jyy s LYS 15 Cb -0.17 -3.69 -0.03 0.00 -1.01 0.00 0.00 37.83 32.93 2jyy s LYS 15 CO 0.16 -0.28 0.60 0.71 0.51 0.00 0.00 175.35 177.05 2jyy s TYR 16 N 1.91 3.41 0.32 3.18 1.51 0.17 0.14 117.35 128.00 2jyy s TYR 16 Ca 0.11 0.93 0.09 0.00 -1.01 0.00 0.00 57.07 57.19 2jyy s TYR 16 Cb -0.16 -2.75 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 2jyy s TYR 16 CO 0.11 -0.09 0.02 -0.06 -1.11 0.00 0.00 175.55 174.41 2jyy s PHE 17 N 1.59 2.59 0.66 2.71 0.40 0.16 -0.52 117.98 125.56 2jyy s PHE 17 Ca 0.29 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.18 2jyy s PHE 17 Cb -0.16 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 42.00 2jyy s PHE 17 CO 0.11 0.50 0.96 0.45 0.70 0.00 0.00 175.22 177.94 2jyy s SER 18 N -3.71 5.08 0.33 1.36 0.15 0.61 -1.61 113.70 115.90 2jyy s SER 18 Ca 0.34 0.48 0.07 0.00 0.70 0.00 0.00 55.95 57.54 2jyy s SER 18 Cb -0.02 -1.25 0.57 0.00 -1.71 0.00 0.00 66.02 63.61 2jyy s SER 18 CO 0.20 -1.40 1.79 -2.24 1.20 0.00 0.00 173.24 172.78 2jyy h ASP 19 N -0.41 0.29 0.14 5.45 2.03 -1.88 -2.45 116.42 119.59 2jyy h ASP 19 Ca -0.44 -0.09 -0.09 0.00 -0.73 0.00 0.00 57.03 55.67 2jyy h ASP 19 Cb 1.30 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.71 2jyy h ASP 19 CO 0.60 0.56 -0.32 -2.24 -1.03 0.00 0.00 179.24 176.81 2jyy h ASP 20 N 0.26 0.27 0.00 4.15 3.04 -1.94 -3.47 116.42 118.73 2jyy h ASP 20 Ca 0.04 -0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 2jyy h ASP 20 Cb 0.61 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.83 2jyy h ASP 20 CO 0.04 0.58 0.00 0.61 -2.04 0.00 0.00 179.24 178.43 2jyy n GLY 21 N -0.39 1.34 3.75 7.15 0.00 -0.92 -5.11 105.19 111.00 2jyy n GLY 21 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2jyy n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jyy s THR 22 N -0.71 2.36 -0.02 2.61 2.01 -1.26 -4.60 115.64 116.02 2jyy s THR 22 Ca 0.00 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2jyy s THR 22 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2jyy s THR 22 CO 0.00 0.05 1.39 0.12 -0.69 0.00 0.00 174.62 175.49 2jyy s PHE 23 N -0.09 2.81 -0.07 4.92 5.36 -1.26 -0.28 117.98 129.37 2jyy s PHE 23 Ca 0.61 0.82 -0.04 0.00 -0.96 0.00 0.00 56.93 57.35 2jyy s PHE 23 Cb -0.45 -3.65 -0.01 0.00 -0.34 0.00 0.00 43.02 38.57 2jyy s PHE 23 CO 0.47 -2.41 -0.07 0.28 -1.46 0.00 0.00 175.22 172.03 2jyy h VAL 24 N 5.03 0.00 -1.50 3.12 2.07 -1.11 -3.47 116.25 120.39 2jyy h VAL 24 Ca -0.37 -0.50 0.17 0.00 0.82 0.00 0.00 66.70 66.82 2jyy h VAL 24 Cb 1.17 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.72 2jyy h VAL 24 CO 0.91 0.00 0.71 0.00 0.02 0.00 0.00 177.57 179.22 2jyy s GLU 26 N -1.68 3.58 0.16 0.00 2.12 -1.26 -0.65 118.70 120.96 2jyy s GLU 26 Ca 0.05 0.00 -0.34 0.00 0.36 0.00 0.00 54.97 55.04 2jyy s GLU 26 Cb -0.01 -2.56 -0.14 0.00 0.26 0.00 0.00 34.13 31.69 2jyy s GLU 26 CO -0.04 0.06 1.56 0.41 -0.54 0.00 0.00 175.26 176.71 2jyy n GLY 27 N -1.56 1.07 0.82 -1.50 0.00 -0.60 -4.82 105.19 98.60 2jyy n GLY 27 Ca -0.02 0.66 0.13 0.00 0.00 0.00 0.00 46.02 46.79 2jyy n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jyy n GLU 28 N 3.33 2.13 0.00 1.61 2.13 0.10 -3.93 120.64 126.01 2jyy n GLU 28 Ca 0.17 -1.64 0.00 0.00 0.66 0.00 0.00 57.16 56.35 2jyy n GLU 28 Cb 0.28 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.52 2jyy n GLU 28 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2jyy n SER 29 N 0.99 -0.20 -3.59 4.31 3.41 -1.13 -4.89 113.62 112.51 2jyy n SER 29 Ca 0.16 -0.79 -0.02 0.00 -0.26 0.00 0.00 58.87 57.95 2jyy n SER 29 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.11 -0.86 0.00 4.04 2.15 -1.26 -4.37 116.67 115.26 2jyy s ASP 30 Ca 0.00 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.23 2jyy s ASP 30 Cb 0.00 1.74 0.00 0.00 -0.30 0.00 0.00 42.92 44.36 2jyy s ASP 30 CO 0.00 -0.18 0.79 -2.65 -0.17 0.00 0.00 175.17 172.96 2jyy n PRO 31 N 4.75 0.43 -0.39 4.34 -0.02 -1.26 -2.22 135.00 140.63 2jyy n PRO 31 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2jyy n PRO 31 Cb 0.54 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 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 1.61 0.00 -3.62 -0.52 3.00 -1.26 -5.09 116.66 110.77 2jyy n ARG 32 Ca 0.00 -0.57 -0.11 0.00 -0.01 0.00 0.00 57.85 57.15 2jyy n ARG 32 Cb 0.22 -0.32 -0.07 0.00 0.00 0.00 0.00 32.46 32.29 2jyy n ARG 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2jyy s ASN 33 N -0.50 -0.54 -1.06 0.55 2.20 -0.94 -5.06 114.94 109.58 2jyy s ASN 33 Ca 0.00 0.96 -0.08 0.00 -0.94 0.00 0.00 52.86 52.81 2jyy s ASN 33 Cb 0.00 0.95 -0.11 0.00 -2.00 0.00 0.00 41.25 40.09 2jyy s ASN 33 CO 0.00 -0.24 2.73 -0.81 -2.94 0.00 0.00 177.10 175.84 2jyy n PRO 34 N 2.06 2.77 -2.59 3.55 -0.04 -1.26 -4.62 135.00 134.86 2jyy n PRO 34 Ca -0.13 -1.68 -0.42 0.00 -0.04 0.00 0.00 63.50 61.23 2jyy n PRO 34 Cb 0.56 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 2jyy n PRO 34 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jyy s LYS 35 N 2.38 3.49 0.00 0.54 1.02 -1.26 -4.63 119.74 121.28 2jyy s LYS 35 Ca 0.57 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.77 2jyy s LYS 35 Cb 0.17 -4.02 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 2jyy s LYS 35 CO -0.04 -1.70 0.78 0.00 -0.92 0.00 0.00 175.35 173.47 2jyy n ALA 36 N 8.45 2.66 0.06 5.17 0.00 -1.26 -4.78 120.51 130.81 2jyy n ALA 36 Ca 0.08 -0.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.92 2jyy n ALA 36 Cb 0.49 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.59 2jyy n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyy h ALA 37 N 0.00 -0.24 -2.66 0.00 0.00 -1.95 -3.44 119.26 110.97 2jyy h ALA 37 Ca -0.43 -0.18 -0.52 0.00 0.00 0.00 0.00 54.91 53.78 2jyy h ALA 37 Cb 1.21 0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.11 2jyy h ALA 37 CO -0.22 -0.26 0.60 -2.14 0.00 0.00 0.00 179.25 177.23 2jyy s PRO 38 N -2.89 4.44 -0.38 0.00 0.02 -1.26 -4.93 135.00 129.99 2jyy s PRO 38 Ca -0.09 1.95 0.11 0.00 0.02 0.00 0.00 61.00 62.99 2jyy s PRO 38 Cb 0.00 -3.23 0.40 0.00 0.02 0.00 0.00 34.50 31.70 2jyy s PRO 38 CO 0.33 -0.18 1.32 2.89 -0.33 0.00 0.00 177.00 181.03 2jyy n ARG 39 N 2.67 1.22 -2.77 5.54 1.85 -1.26 -4.16 116.66 119.75 2jyy n ARG 39 Ca 0.06 -1.97 -0.40 0.00 -1.00 0.00 0.00 57.85 54.53 2jyy n ARG 39 Cb 0.44 -0.18 -0.06 0.00 -1.05 0.00 0.00 32.46 31.62 2jyy n ARG 39 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2jyy s ASN 40 N -1.48 7.59 -1.16 2.89 2.20 -1.26 -4.76 114.94 118.95 2jyy s ASN 40 Ca 0.21 1.88 -0.18 0.00 -0.94 0.00 0.00 52.86 53.84 2jyy s ASN 40 Cb 0.41 -2.59 -0.05 0.00 -2.00 0.00 0.00 41.25 37.02 2jyy s ASN 40 CO -0.08 0.11 2.08 0.00 -2.94 0.00 0.00 177.10 176.26 2jyy s ASP 42 N 4.08 6.27 0.59 0.00 2.15 -1.26 -4.86 116.67 123.64 2jyy s ASP 42 Ca 0.52 1.92 0.31 0.00 0.43 0.00 0.00 52.55 55.73 2jyy s ASP 42 Cb 0.13 -2.53 1.84 0.00 -0.30 0.00 0.00 42.92 42.07 2jyy s ASP 42 CO 0.01 -1.30 2.25 -0.65 -0.17 0.00 0.00 175.17 175.31 2jyy h PRO 43 N 11.29 0.00 -0.20 4.34 0.11 -1.91 -1.83 132.00 143.79 2jyy h PRO 43 Ca -0.38 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 2jyy h PRO 43 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2jyy h PRO 43 CO 0.98 0.01 -0.24 -0.09 -0.21 0.00 0.00 178.00 178.45 2jyy h ARG 44 N 0.00 0.38 -5.77 1.05 2.43 -1.97 -3.40 114.38 107.10 2jyy h ARG 44 Ca -0.00 -0.13 -0.63 0.00 -0.81 0.00 0.00 59.98 58.41 2jyy h ARG 44 Cb 0.03 -0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.42 2jyy h ARG 44 CO 0.00 0.60 0.39 0.42 -1.51 0.00 0.00 179.97 179.87 2jyy s ILE 45 N -4.50 4.60 -0.26 1.20 1.01 -0.69 -3.90 121.20 118.66 2jyy s ILE 45 Ca -0.06 0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.83 2jyy s ILE 45 Cb 0.14 -4.37 -0.14 0.00 0.01 0.00 0.00 42.46 38.10 2jyy s ILE 45 CO 0.77 -0.80 -0.23 0.00 0.00 0.00 0.00 174.94 174.68 2jyy n ALA 46 N 6.85 1.16 -3.36 9.38 0.00 -0.77 -3.75 120.51 130.02 2jyy n ALA 46 Ca 0.02 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.32 2jyy n ALA 46 Cb 0.48 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.49 -0.44 -0.17 0.00 -0.85 -0.63 -2.92 117.35 109.85 2jyy s TYR 47 Ca -0.36 0.93 -0.04 0.00 -0.52 0.00 0.00 57.07 57.07 2jyy s TYR 47 Cb 0.12 0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 2jyy s TYR 47 CO 0.53 -0.37 -0.03 0.20 -1.52 0.00 0.00 175.55 174.37 2jyy s GLY 48 N -0.53 1.71 -0.29 5.49 0.00 -1.26 0.40 107.32 112.84 2jyy s GLY 48 Ca -0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 2jyy s GLY 48 CO 0.04 0.03 0.22 -0.42 0.00 0.00 0.00 173.10 172.97 2jyy s ILE 49 N 0.57 5.29 -0.25 0.90 -1.09 0.12 -4.86 121.20 121.87 2jyy s ILE 49 Ca -0.02 0.19 -0.13 0.00 -2.23 0.00 0.00 60.65 58.46 2jyy s ILE 49 Cb -0.14 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2jyy s ILE 49 CO 0.02 0.20 0.26 0.00 -1.23 0.00 0.00 174.94 174.20 2jyy n PRO 51 N 4.83 2.70 -3.36 0.00 -0.04 -1.26 -4.52 135.00 133.36 2jyy n PRO 51 Ca -0.12 -1.50 -0.18 0.00 -0.04 0.00 0.00 63.50 61.66 2jyy n PRO 51 Cb 0.52 -2.34 0.07 0.00 -0.04 0.00 0.00 33.50 31.71 2jyy n PRO 51 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jyy n LEU 52 N 2.98 -3.50 0.00 1.53 7.99 -1.26 -5.13 117.00 119.61 2jyy n LEU 52 Ca 0.58 -0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.07 2jyy n LEU 52 Cb 0.61 -2.76 0.00 0.00 -0.11 0.00 0.00 43.42 41.16 2jyy n LEU 52 CO 0.44 0.46 0.00 0.00 -1.51 0.00 0.00 177.39 176.78