#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysa s SER 2 N 0.00 2.87 0.57 1.61 0.01 -1.26 -5.14 113.70 112.36 2ysa s SER 2 Ca 0.00 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 56.87 2ysa s SER 2 Cb 0.00 -0.46 0.07 0.00 0.21 0.00 0.00 66.02 65.84 2ysa s SER 2 CO 0.00 0.28 0.79 -0.94 0.41 0.00 0.00 173.24 173.77 2ysa s SER 3 N -0.44 5.08 -0.66 2.44 1.04 -1.26 -4.98 113.70 114.92 2ysa s SER 3 Ca 0.06 -0.53 -0.26 0.00 0.48 0.00 0.00 55.95 55.70 2ysa s SER 3 Cb -0.11 -0.14 -0.07 0.00 0.10 0.00 0.00 66.02 65.80 2ysa s SER 3 CO 0.00 -1.30 2.22 -0.83 0.98 0.00 0.00 173.24 174.31 2ysa s GLY 4 N -4.58 -0.31 0.56 7.32 0.00 -1.26 -4.94 107.32 104.11 2ysa s GLY 4 Ca 0.61 -0.57 -0.18 0.00 0.00 0.00 0.00 44.72 44.58 2ysa s GLY 4 CO 0.39 3.92 1.09 -1.35 0.00 0.00 0.00 173.10 177.14 2ysa s SER 5 N 10.37 5.75 -0.04 1.64 1.04 -1.26 -4.98 113.70 126.22 2ysa s SER 5 Ca 0.86 2.01 -0.23 0.00 0.48 0.00 0.00 55.95 59.07 2ysa s SER 5 Cb -0.13 -2.56 -0.25 0.00 0.10 0.00 0.00 66.02 63.18 2ysa s SER 5 CO 0.16 -1.19 1.01 0.28 0.98 0.00 0.00 173.24 174.48 2ysa h SER 6 N 0.89 0.36 0.00 7.02 0.02 -2.07 -3.43 113.55 116.33 2ysa h SER 6 Ca -0.49 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 59.65 2ysa h SER 6 Cb 1.24 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2ysa h SER 6 CO 0.57 1.13 0.00 0.61 -1.14 0.00 0.00 176.83 178.00 2ysa n GLY 7 N 1.20 -1.31 3.83 -3.77 0.00 -1.26 -5.08 105.19 98.79 2ysa n GLY 7 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 2ysa n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ysa s TYR 8 N 0.00 0.03 -0.03 1.61 -0.85 -1.26 -5.19 117.35 111.66 2ysa s TYR 8 Ca 0.00 -0.56 -0.29 0.00 -0.52 0.00 0.00 57.07 55.70 2ysa s TYR 8 Cb 0.00 0.76 0.09 0.00 0.38 0.00 0.00 41.96 43.20 2ysa s TYR 8 CO 0.00 -1.27 0.80 0.99 -1.52 0.00 0.00 175.55 174.55 2ysa s THR 9 N -2.66 0.00 -0.26 -3.49 2.01 -1.26 -4.84 115.64 105.14 2ysa s THR 9 Ca 0.16 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 61.82 2ysa s THR 9 Cb -0.04 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.36 2ysa s THR 9 CO 0.08 0.00 2.10 0.00 -0.69 0.00 0.00 174.62 176.12 2ysa n PHE 11 N 9.29 0.00 -0.01 0.00 7.35 -1.26 -0.25 117.46 132.58 2ysa n PHE 11 Ca 0.34 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 57.03 2ysa n PHE 11 Cb 0.28 -0.17 -0.00 0.00 0.35 0.00 0.00 39.48 39.94 2ysa n PHE 11 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2ysa h ARG 12 N 0.00 0.00 0.00 -4.13 2.43 -1.91 -3.42 114.38 107.35 2ysa h ARG 12 Ca 0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 2ysa h ARG 12 Cb 0.12 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2ysa h ARG 12 CO 0.00 0.00 -2.17 0.00 -1.51 0.00 0.00 179.97 176.29 2ysa n GLY 14 N 1.60 0.96 3.11 0.00 0.00 0.66 -5.07 105.19 106.45 2ysa n GLY 14 Ca -0.24 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 2ysa n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysa s LYS 15 N -1.26 1.90 1.16 1.61 -0.14 -1.24 -4.86 119.74 116.92 2ysa s LYS 15 Ca 0.00 -0.57 -0.18 0.00 -1.36 0.00 0.00 55.97 53.86 2ysa s LYS 15 Cb 0.00 -1.59 0.26 0.00 -1.68 0.00 0.00 37.83 34.83 2ysa s LYS 15 CO 0.00 0.16 1.10 -1.25 -0.76 0.00 0.00 175.35 174.61 2ysa s PRO 16 N 0.28 -0.86 0.00 -1.68 0.04 -1.26 -2.60 135.00 128.92 2ysa s PRO 16 Ca -0.09 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2ysa s PRO 16 Cb -0.14 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2ysa s PRO 16 CO 0.04 -3.50 0.00 0.41 0.04 0.00 0.00 177.00 173.99 2ysa n GLY 17 N -0.97 2.77 3.14 0.56 0.00 -1.26 -4.90 105.19 104.53 2ysa n GLY 17 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2ysa n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ysa s HIS 18 N -1.46 0.48 0.46 1.61 -3.43 -1.26 -5.11 115.29 106.58 2ysa s HIS 18 Ca 0.00 -0.97 0.08 0.00 -0.80 0.00 0.00 55.06 53.37 2ysa s HIS 18 Cb 0.00 -0.31 0.02 0.00 -1.43 0.00 0.00 32.58 30.86 2ysa s HIS 18 CO 0.00 -0.46 0.52 1.52 -2.00 0.00 0.00 174.74 174.32 2ysa s TYR 19 N -3.93 2.36 -0.09 0.38 -0.85 -1.26 -2.59 117.35 111.37 2ysa s TYR 19 Ca 0.10 -0.55 0.27 0.00 -0.52 0.00 0.00 57.07 56.37 2ysa s TYR 19 Cb 0.07 -2.21 1.36 0.00 0.38 0.00 0.00 41.96 41.56 2ysa s TYR 19 CO -0.08 -0.45 1.83 0.97 -1.52 0.00 0.00 175.55 176.30 2ysa h ILE 20 N 0.71 0.00 0.00 -3.49 2.10 -1.89 0.92 117.51 115.87 2ysa h ILE 20 Ca -0.38 -0.11 -0.19 0.00 1.08 0.00 0.00 64.86 65.26 2ysa h ILE 20 Cb 1.28 0.79 -0.03 0.00 -1.09 0.00 0.00 36.82 37.77 2ysa h ILE 20 CO 0.50 0.00 -1.16 0.11 -1.08 0.00 0.00 178.15 176.52 2ysa h LYS 21 N 0.00 0.00 -0.19 2.19 1.57 -2.01 -3.32 116.57 114.80 2ysa h LYS 21 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ysa h LYS 21 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2ysa h LYS 21 CO 0.00 0.54 0.00 -1.71 -0.57 0.00 0.00 179.45 177.71 2ysa n ASN 22 N -3.10 3.28 -4.75 0.86 5.15 -0.47 -5.03 115.26 111.20 2ysa n ASN 22 Ca -0.06 -2.83 -0.41 0.00 -0.60 0.00 0.00 54.58 50.67 2ysa n ASN 22 Cb 0.88 -0.44 -0.02 0.00 -0.53 0.00 0.00 39.78 39.67 2ysa n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ysa h PRO 24 N 4.98 0.16 -1.38 0.00 0.13 -1.95 -3.12 132.00 130.83 2ysa h PRO 24 Ca -0.46 -0.09 0.40 0.00 -0.87 0.00 0.00 66.00 64.99 2ysa h PRO 24 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2ysa h PRO 24 CO 0.77 0.60 1.26 1.79 -0.23 0.00 0.00 178.00 182.20 2ysa h THR 25 N -0.27 0.03 -0.32 1.56 1.35 -1.94 -1.01 112.91 112.31 2ysa h THR 25 Ca 0.01 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.91 2ysa h THR 25 Cb 0.57 0.04 -0.06 0.00 -1.73 0.00 0.00 68.15 66.98 2ysa h THR 25 CO 0.02 0.00 -0.40 0.78 -0.25 0.00 0.00 175.52 175.67 2ysa h ASN 26 N 0.00 -1.33 -1.20 5.36 2.35 -1.91 -1.48 115.58 117.37 2ysa h ASN 26 Ca 0.66 0.18 -0.54 0.00 -0.55 0.00 0.00 56.30 56.04 2ysa h ASN 26 Cb 3.17 0.55 -0.19 0.00 0.05 0.00 0.00 38.32 41.90 2ysa h ASN 26 CO -0.01 -0.28 0.52 0.61 -1.65 0.00 0.00 177.43 176.63 2ysa n GLY 27 N -1.26 4.57 3.41 2.83 0.00 -0.38 -4.90 105.19 109.46 2ysa n GLY 27 Ca -0.02 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 2ysa n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysa s ASP 28 N 0.04 0.50 1.15 1.61 1.11 -0.56 -5.12 116.67 115.40 2ysa s ASP 28 Ca 0.56 -1.33 -0.17 0.00 0.18 0.00 0.00 52.55 51.79 2ysa s ASP 28 Cb 0.39 0.55 0.22 0.00 1.07 0.00 0.00 42.92 45.15 2ysa s ASP 28 CO -0.24 -1.09 0.44 0.29 1.18 0.00 0.00 175.17 175.75 2ysa n LYS 29 N -0.43 -2.84 0.26 8.23 4.76 -1.26 -4.80 118.16 122.08 2ysa n LYS 29 Ca 0.01 -0.84 0.18 0.00 -2.87 0.00 0.00 58.31 54.79 2ysa n LYS 29 Cb 0.63 -1.65 0.87 0.00 -1.84 0.00 0.00 35.03 33.04 2ysa n LYS 29 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2ysa h ASN 30 N -2.84 0.00 -5.07 4.39 2.35 -1.98 -3.45 115.58 108.97 2ysa h ASN 30 Ca -0.34 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.22 2ysa h ASN 30 Cb 1.02 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.33 2ysa h ASN 30 CO 0.23 0.00 -0.26 2.22 -1.65 0.00 0.00 177.43 177.96 2ysa n PHE 31 N -2.81 -1.74 -0.03 1.19 -1.74 -1.26 -4.79 117.46 106.28 2ysa n PHE 31 Ca -0.01 0.15 -0.16 0.00 -0.56 0.00 0.00 57.45 56.87 2ysa n PHE 31 Cb 0.14 -1.78 -0.09 0.00 1.52 0.00 0.00 39.48 39.27 2ysa n PHE 31 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 2ysa h GLU 32 N -0.25 0.49 -6.33 3.97 4.81 -2.01 -3.45 114.58 111.81 2ysa h GLU 32 Ca -0.20 -0.39 -0.62 0.00 -0.13 0.00 0.00 59.36 58.02 2ysa h GLU 32 Cb 1.14 0.08 -0.11 0.00 0.63 0.00 0.00 28.75 30.49 2ysa h GLU 32 CO 0.26 1.02 -0.65 0.45 -0.73 0.00 0.00 179.01 179.37 2ysa s SER 33 N -6.62 4.96 -0.20 1.04 0.15 -1.26 -5.00 113.70 106.77 2ysa s SER 33 Ca -0.13 -0.28 -0.20 0.00 0.70 0.00 0.00 55.95 56.04 2ysa s SER 33 Cb 0.05 -1.14 -0.03 0.00 -1.71 0.00 0.00 66.02 63.20 2ysa s SER 33 CO 0.82 0.12 0.59 -0.83 1.20 0.00 0.00 173.24 175.13 2ysa s GLY 34 N -2.74 2.03 0.00 9.45 0.00 -1.26 -4.93 107.32 109.88 2ysa s GLY 34 Ca 0.27 -0.34 0.11 0.00 0.00 0.00 0.00 44.72 44.77 2ysa s GLY 34 CO 0.19 1.24 1.10 -1.55 0.00 0.00 0.00 173.10 174.09 2ysa n PRO 35 N 5.03 0.49 -2.41 2.90 -0.04 -1.26 -4.75 135.00 134.96 2ysa n PRO 35 Ca -0.02 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 2ysa n PRO 35 Cb 0.50 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 2ysa n PRO 35 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ysa s ARG 36 N -2.00 4.52 0.07 0.54 1.81 -1.26 -4.94 118.95 117.69 2ysa s ARG 36 Ca 0.17 1.84 0.14 0.00 -1.72 0.00 0.00 55.73 56.15 2ysa s ARG 36 Cb 0.08 -3.25 -0.14 0.00 -0.45 0.00 0.00 34.95 31.19 2ysa s ARG 36 CO 0.13 -0.05 0.94 0.97 -0.68 0.00 0.00 175.30 176.61 2ysa h ILE 37 N 3.74 0.82 -0.53 1.52 2.10 -2.04 -3.35 117.51 119.77 2ysa h ILE 37 Ca -0.44 -2.43 -0.00 0.00 1.08 0.00 0.00 64.86 63.06 2ysa h ILE 37 Cb 1.21 2.32 -0.03 0.00 -1.09 0.00 0.00 36.82 39.23 2ysa h ILE 37 CO 0.74 0.47 0.31 0.11 -1.08 0.00 0.00 178.15 178.70 2ysa h LYS 38 N 0.00 0.72 -3.84 2.19 6.56 -1.98 -3.44 116.57 116.78 2ysa h LYS 38 Ca -0.15 -0.07 -0.19 0.00 -1.06 0.00 0.00 60.65 59.18 2ysa h LYS 38 Cb 1.70 -0.15 -0.23 0.00 -0.57 0.00 0.00 32.23 32.98 2ysa h LYS 38 CO 0.07 0.53 -0.69 0.21 -2.06 0.00 0.00 179.45 177.52 2ysa s LYS 39 N -5.96 0.21 0.23 3.15 2.47 -1.26 -5.17 119.74 113.43 2ysa s LYS 39 Ca -0.13 -0.36 0.10 0.00 -1.56 0.00 0.00 55.97 54.02 2ysa s LYS 39 Cb 0.12 0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.53 2ysa s LYS 39 CO 0.75 -0.04 -0.10 0.45 0.16 0.00 0.00 175.35 176.58 2ysa s SER 40 N -0.91 4.12 -0.11 1.43 0.15 -1.26 -4.46 113.70 112.66 2ysa s SER 40 Ca -0.10 -0.74 -0.08 0.00 0.70 0.00 0.00 55.95 55.73 2ysa s SER 40 Cb -0.06 -0.62 -0.08 0.00 -1.71 0.00 0.00 66.02 63.55 2ysa s SER 40 CO -0.00 0.05 0.21 0.74 1.20 0.00 0.00 173.24 175.44 2ysa h THR 41 N 2.38 0.51 -1.90 6.45 2.02 -1.93 -3.50 112.91 116.95 2ysa h THR 41 Ca -0.44 -1.39 0.34 0.00 0.77 0.00 0.00 66.41 65.69 2ysa h THR 41 Cb 1.23 0.97 -0.08 0.00 -1.74 0.00 0.00 68.15 68.53 2ysa h THR 41 CO 0.57 0.17 0.88 -0.83 0.37 0.00 0.00 175.52 176.69 2ysa s GLY 42 N -3.76 -0.22 0.08 2.16 0.00 -1.26 -5.10 107.32 99.23 2ysa s GLY 42 Ca -0.06 0.25 0.06 0.00 0.00 0.00 0.00 44.72 44.97 2ysa s GLY 42 CO 0.20 3.87 -0.08 -0.26 0.00 0.00 0.00 173.10 176.82 2ysa s ILE 43 N -2.13 3.47 0.00 0.90 -5.25 -1.26 -5.06 121.20 111.88 2ysa s ILE 43 Ca 0.25 -1.15 0.00 0.00 -0.99 0.00 0.00 60.65 58.75 2ysa s ILE 43 Cb 0.01 -2.61 0.00 0.00 2.95 0.00 0.00 42.46 42.82 2ysa s ILE 43 CO -0.02 0.17 0.00 -0.81 -1.79 0.00 0.00 174.94 172.49 2ysa n PRO 44 N 0.85 0.00 0.00 0.37 -0.04 -1.26 -4.74 135.00 130.18 2ysa n PRO 44 Ca -0.13 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.37 2ysa n PRO 44 Cb 0.52 -0.24 0.03 0.00 -0.04 0.00 0.00 33.50 33.77 2ysa n PRO 44 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2ysa n ARG 45 N 0.00 0.62 -0.28 0.54 1.85 -1.26 -4.68 116.66 113.44 2ysa n ARG 45 Ca 0.00 -0.89 0.25 0.00 -1.00 0.00 0.00 57.85 56.21 2ysa n ARG 45 Cb 0.00 -1.13 0.47 0.00 -1.05 0.00 0.00 32.46 30.75 2ysa n ARG 45 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2ysa n SER 46 N 0.29 0.23 -4.41 2.89 7.64 -1.26 -3.70 113.62 115.30 2ysa n SER 46 Ca 0.04 1.45 -0.37 0.00 1.01 0.00 0.00 58.87 61.00 2ysa n SER 46 Cb 0.20 -0.67 -0.12 0.00 -1.01 0.00 0.00 64.21 62.60 2ysa n SER 46 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2ysa s PHE 47 N -5.41 3.11 -0.04 1.43 2.19 -1.26 -5.08 117.98 112.92 2ysa s PHE 47 Ca -0.08 -0.61 -0.03 0.00 0.33 0.00 0.00 56.93 56.53 2ysa s PHE 47 Cb 0.29 -2.26 0.02 0.00 -1.31 0.00 0.00 43.02 39.76 2ysa s PHE 47 CO 0.68 -0.44 0.10 0.00 1.83 0.00 0.00 175.22 177.39 2ysa s MET 48 N 1.58 0.09 -0.28 10.12 0.23 -1.24 -5.07 119.30 124.73 2ysa s MET 48 Ca 0.05 0.20 0.01 0.00 -1.03 0.00 0.00 55.69 54.92 2ysa s MET 48 Cb -0.16 -0.04 0.08 0.00 -1.53 0.00 0.00 34.83 33.18 2ysa s MET 48 CO 0.03 -0.07 0.02 1.41 -2.03 0.00 0.00 175.02 174.39 2ysa s MET 49 N 0.45 1.25 -0.00 3.16 0.00 -1.26 -4.96 119.30 117.94 2ysa s MET 49 Ca -0.03 -1.18 0.16 0.00 0.00 0.00 0.00 55.69 54.63 2ysa s MET 49 Cb -0.05 -2.52 0.46 0.00 0.00 0.00 0.00 34.83 32.73 2ysa s MET 49 CO -0.02 -0.80 1.38 -1.91 0.00 0.00 0.00 175.02 173.67 2ysa n GLU 50 N 4.65 2.24 -3.82 4.11 2.13 -1.26 -4.92 120.64 123.77 2ysa n GLU 50 Ca -0.05 -1.87 -0.27 0.00 0.66 0.00 0.00 57.16 55.62 2ysa n GLU 50 Cb 0.43 -1.42 0.04 0.00 0.27 0.00 0.00 31.44 30.76 2ysa n GLU 50 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ysa n VAL 51 N 1.00 -2.67 -3.51 6.31 0.31 -1.26 -4.96 118.33 113.55 2ysa n VAL 51 Ca 0.17 -0.10 -0.11 0.00 -0.01 0.00 0.00 64.34 64.30 2ysa n VAL 51 Cb 0.45 -3.23 -0.02 0.00 -0.91 0.00 0.00 33.84 30.13 2ysa n VAL 51 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2ysa s LYS 52 N -6.44 1.37 -0.09 5.55 0.00 -1.26 -5.13 119.74 113.73 2ysa s LYS 52 Ca 0.53 -0.57 -0.30 0.00 0.00 0.00 0.00 55.97 55.63 2ysa s LYS 52 Cb -0.26 0.59 -0.04 0.00 0.00 0.00 0.00 37.83 38.12 2ysa s LYS 52 CO 0.81 -0.61 1.51 0.34 0.00 0.00 0.00 175.35 177.40 2ysa s ASP 53 N -2.78 6.77 0.14 0.03 2.15 -1.26 -4.91 116.67 116.81 2ysa s ASP 53 Ca 0.03 2.03 -0.11 0.00 0.43 0.00 0.00 52.55 54.93 2ysa s ASP 53 Cb -0.02 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 2ysa s ASP 53 CO -0.09 -0.86 1.47 1.55 -0.17 0.00 0.00 175.17 177.07 2ysa h PRO 54 N 9.02 0.94 0.00 4.34 0.13 -2.01 -3.53 132.00 140.90 2ysa h PRO 54 Ca -0.34 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 2ysa h PRO 54 Cb 1.15 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ysa h PRO 54 CO 0.96 1.15 0.00 0.09 -0.23 0.00 0.00 178.00 179.97