#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysa h SER 2 N 0.00 -1.54 -2.91 1.61 0.87 -2.06 -3.41 113.55 106.10 2ysa h SER 2 Ca 0.00 0.30 -0.40 0.00 -1.23 0.00 0.00 61.79 60.46 2ysa h SER 2 Cb 0.00 0.77 0.22 0.00 -0.44 0.00 0.00 62.40 62.95 2ysa h SER 2 CO 0.00 -0.28 -0.19 -0.24 -0.53 0.00 0.00 176.83 175.59 2ysa n SER 3 N -5.43 -2.89 0.00 6.23 2.88 -1.26 -3.86 113.62 109.29 2ysa n SER 3 Ca 0.08 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 2ysa n SER 3 Cb 0.37 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2ysa n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysa n GLY 4 N 1.55 2.03 3.67 0.46 0.00 -1.26 -4.93 105.19 106.71 2ysa n GLY 4 Ca 0.06 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2ysa n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysa s SER 5 N 0.00 6.56 0.40 1.61 0.15 -1.25 -4.99 113.70 116.18 2ysa s SER 5 Ca 0.00 2.48 0.08 0.00 0.70 0.00 0.00 55.95 59.20 2ysa s SER 5 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 2ysa s SER 5 CO 0.00 -0.96 0.19 -0.44 1.20 0.00 0.00 173.24 173.22 2ysa s SER 6 N 3.40 4.50 0.44 5.45 0.01 -1.26 -5.06 113.70 121.18 2ysa s SER 6 Ca 0.79 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2ysa s SER 6 Cb -0.39 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.32 2ysa s SER 6 CO 0.35 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2ysa n GLY 7 N -1.24 -2.79 3.09 3.44 0.00 -1.26 -4.88 105.19 101.55 2ysa n GLY 7 Ca -0.01 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 2ysa n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ysa n TYR 8 N -3.95 -2.51 -3.52 1.61 0.18 -1.26 -5.05 117.16 102.65 2ysa n TYR 8 Ca -0.05 -0.15 -0.15 0.00 1.88 0.00 0.00 57.90 59.43 2ysa n TYR 8 Cb 0.55 -1.40 -0.05 0.00 -0.38 0.00 0.00 39.34 38.06 2ysa n TYR 8 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2ysa s THR 9 N -2.10 0.00 -0.20 -3.48 2.01 -1.26 -4.80 115.64 105.81 2ysa s THR 9 Ca 0.45 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 62.12 2ysa s THR 9 Cb -0.08 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.33 2ysa s THR 9 CO 0.42 0.00 2.08 0.00 -0.69 0.00 0.00 174.62 176.42 2ysa n PHE 11 N 9.10 0.00 -0.00 0.00 7.35 -1.26 -0.56 117.46 132.08 2ysa n PHE 11 Ca 0.30 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.99 2ysa n PHE 11 Cb 0.32 -0.22 -0.00 0.00 0.35 0.00 0.00 39.48 39.93 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 -0.01 0.00 -4.13 2.43 -1.90 -3.42 114.38 107.35 2ysa h ARG 12 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 2ysa h ARG 12 Cb 0.17 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 2ysa h ARG 12 CO 0.00 -0.01 -2.20 0.00 -1.51 0.00 0.00 179.97 176.25 2ysa n GLY 14 N 1.68 1.02 3.16 0.00 0.00 0.28 -5.08 105.19 106.24 2ysa n GLY 14 Ca -0.28 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.70 1.92 1.18 1.61 -0.14 -1.23 -4.87 119.74 117.51 2ysa s LYS 15 Ca 0.00 -0.66 -0.18 0.00 -1.36 0.00 0.00 55.97 53.77 2ysa s LYS 15 Cb 0.00 -1.65 0.28 0.00 -1.68 0.00 0.00 37.83 34.77 2ysa s LYS 15 CO 0.00 0.26 1.11 -1.25 -0.76 0.00 0.00 175.35 174.71 2ysa s PRO 16 N 0.02 -1.05 0.00 -1.68 0.04 -1.26 -2.44 135.00 128.62 2ysa s PRO 16 Ca -0.04 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 60.99 2ysa s PRO 16 Cb -0.12 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2ysa s PRO 16 CO 0.03 -3.61 0.00 0.41 0.04 0.00 0.00 177.00 173.86 2ysa n GLY 17 N -0.97 2.06 3.54 0.56 0.00 -1.26 -4.88 105.19 104.24 2ysa n GLY 17 Ca 0.12 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.42 1.86 0.47 1.61 -3.43 -1.26 -5.09 115.29 109.04 2ysa s HIS 18 Ca 0.00 -1.13 0.04 0.00 -0.80 0.00 0.00 55.06 53.17 2ysa s HIS 18 Cb 0.00 -1.28 -0.03 0.00 -1.43 0.00 0.00 32.58 29.84 2ysa s HIS 18 CO 0.00 -0.11 0.07 1.52 -2.00 0.00 0.00 174.74 174.22 2ysa s TYR 19 N -3.16 2.11 0.56 0.38 1.13 -1.26 -2.60 117.35 114.50 2ysa s TYR 19 Ca 0.24 -0.82 0.36 0.00 -1.41 0.00 0.00 57.07 55.45 2ysa s TYR 19 Cb 0.04 -1.74 2.00 0.00 -1.10 0.00 0.00 41.96 41.17 2ysa s TYR 19 CO 0.13 0.21 2.26 0.97 -2.51 0.00 0.00 175.55 176.61 2ysa h ILE 20 N 1.41 0.26 0.11 -3.49 2.10 -1.88 0.37 117.51 116.39 2ysa h ILE 20 Ca -0.43 -0.13 -0.31 0.00 1.08 0.00 0.00 64.86 65.07 2ysa h ILE 20 Cb 1.29 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 2ysa h ILE 20 CO 0.74 0.02 -1.60 0.11 -1.08 0.00 0.00 178.15 176.34 2ysa h LYS 21 N 0.00 0.23 -0.58 2.19 1.79 -2.01 -3.32 116.57 114.87 2ysa h LYS 21 Ca -0.00 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 2ysa h LYS 21 Cb 0.10 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2ysa h LYS 21 CO 0.00 1.08 0.00 -1.71 -1.08 0.00 0.00 179.45 177.74 2ysa n ASN 22 N -3.43 5.10 -4.74 0.86 5.15 -0.74 -4.98 115.26 112.49 2ysa n ASN 22 Ca -0.18 -2.70 -0.41 0.00 -0.60 0.00 0.00 54.58 50.69 2ysa n ASN 22 Cb 1.05 -0.62 -0.03 0.00 -0.53 0.00 0.00 39.78 39.65 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 5.26 0.38 -1.57 0.00 0.13 -1.94 -3.15 132.00 131.13 2ysa h PRO 24 Ca -0.45 -0.20 0.45 0.00 -0.87 0.00 0.00 66.00 64.93 2ysa h PRO 24 Cb 1.22 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2ysa h PRO 24 CO 0.77 0.76 1.24 0.25 -0.23 0.00 0.00 178.00 180.79 2ysa n THR 25 N -4.54 0.00 0.02 1.56 -2.24 -1.26 -0.10 114.28 107.72 2ysa n THR 25 Ca -0.06 1.28 -0.12 0.00 -2.27 0.00 0.00 64.05 62.88 2ysa n THR 25 Cb 0.37 -2.18 -0.06 0.00 -2.10 0.00 0.00 70.33 66.36 2ysa n THR 25 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2ysa h ASN 26 N 0.00 -1.26 0.05 3.42 2.35 -1.95 -2.62 115.58 115.57 2ysa h ASN 26 Ca 0.74 0.16 -0.20 0.00 -0.55 0.00 0.00 56.30 56.46 2ysa h ASN 26 Cb 3.21 0.51 0.00 0.00 0.05 0.00 0.00 38.32 42.09 2ysa h ASN 26 CO -0.01 -0.43 -0.74 1.23 -1.65 0.00 0.00 177.43 175.83 2ysa h GLY 27 N -0.51 0.66 -7.11 2.83 0.00 -0.74 -3.43 103.07 94.77 2ysa h GLY 27 Ca 0.07 -0.93 -0.57 0.00 0.00 0.00 0.00 47.33 45.91 2ysa h GLY 27 CO -0.37 0.83 1.53 1.22 0.00 0.00 0.00 176.54 179.75 2ysa n ASP 28 N -3.89 3.00 0.31 0.19 8.00 -0.99 -4.86 116.55 118.31 2ysa n ASP 28 Ca -0.06 0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 2ysa n ASP 28 Cb 0.72 -1.55 -0.08 0.00 -0.02 0.00 0.00 41.12 40.19 2ysa n ASP 28 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2ysa h LYS 29 N 15.97 -0.74 -0.71 -1.24 1.79 -1.84 -3.01 116.57 126.80 2ysa h LYS 29 Ca -0.37 0.05 0.22 0.00 -2.18 0.00 0.00 60.65 58.37 2ysa h LYS 29 Cb 1.25 0.17 -0.13 0.00 -1.58 0.00 0.00 32.23 31.94 2ysa h LYS 29 CO 1.01 -0.45 0.09 -1.71 -1.08 0.00 0.00 179.45 177.31 2ysa n ASN 30 N -5.37 -0.01 0.30 0.86 5.15 -1.26 0.13 115.26 115.05 2ysa n ASN 30 Ca -0.12 1.19 -0.14 0.00 -0.60 0.00 0.00 54.58 54.91 2ysa n ASN 30 Cb 0.34 -0.47 -0.07 0.00 -0.53 0.00 0.00 39.78 39.05 2ysa n ASN 30 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2ysa h PHE 31 N 0.00 -0.97 -0.95 1.20 3.57 -1.77 -2.13 116.94 115.89 2ysa h PHE 31 Ca 0.46 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.07 2ysa h PHE 31 Cb 1.03 0.35 -0.08 0.00 2.79 0.00 0.00 35.95 40.04 2ysa h PHE 31 CO -0.29 -0.53 0.59 0.93 -2.23 0.00 0.00 178.31 176.78 2ysa h GLU 32 N -0.86 0.92 -0.57 1.11 3.07 -0.33 -1.80 114.58 116.12 2ysa h GLU 32 Ca -0.07 -0.06 0.11 0.00 -0.50 0.00 0.00 59.36 58.84 2ysa h GLU 32 Cb 0.70 -0.21 -0.08 0.00 -0.84 0.00 0.00 28.75 28.32 2ysa h GLU 32 CO 0.06 0.61 0.10 0.77 -1.40 0.00 0.00 179.01 179.15 2ysa h SER 33 N 0.95 -0.05 -2.85 1.42 0.02 -0.43 -3.41 113.55 109.20 2ysa h SER 33 Ca 0.47 0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 61.34 2ysa h SER 33 Cb 0.44 0.16 -0.31 0.00 0.14 0.00 0.00 62.40 62.83 2ysa h SER 33 CO -0.26 -0.01 -0.49 -0.83 -1.14 0.00 0.00 176.83 174.11 2ysa s GLY 34 N -3.21 -0.17 1.08 -3.77 0.00 -0.68 -5.09 107.32 95.48 2ysa s GLY 34 Ca -0.13 1.07 -0.18 0.00 0.00 0.00 0.00 44.72 45.47 2ysa s GLY 34 CO 0.73 1.98 0.96 -1.55 0.00 0.00 0.00 173.10 175.22 2ysa n PRO 35 N 5.22 -2.89 -3.67 2.90 -0.04 -1.23 -4.34 135.00 130.96 2ysa n PRO 35 Ca -0.09 -1.53 -0.22 0.00 -0.04 0.00 0.00 63.50 61.62 2ysa n PRO 35 Cb 0.50 -1.43 0.05 0.00 -0.04 0.00 0.00 33.50 32.58 2ysa n PRO 35 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ysa n ARG 36 N -4.43 -5.57 -3.74 0.54 1.74 -1.26 -4.99 116.66 98.95 2ysa n ARG 36 Ca 0.13 0.68 -0.13 0.00 -0.77 0.00 0.00 57.85 57.76 2ysa n ARG 36 Cb 0.51 -5.42 -0.10 0.00 -1.02 0.00 0.00 32.46 26.44 2ysa n ARG 36 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2ysa s ILE 37 N -3.53 0.00 0.45 0.55 1.10 -1.26 -5.17 121.20 113.34 2ysa s ILE 37 Ca 0.13 -0.03 0.08 0.00 -0.51 0.00 0.00 60.65 60.31 2ysa s ILE 37 Cb -0.06 -0.56 0.01 0.00 0.15 0.00 0.00 42.46 41.99 2ysa s ILE 37 CO 0.79 -0.02 0.49 -1.59 -2.11 0.00 0.00 174.94 172.50 2ysa s LYS 38 N 0.08 2.57 0.15 3.50 -2.85 -1.26 -4.95 119.74 116.97 2ysa s LYS 38 Ca -0.01 -1.50 0.10 0.00 -1.00 0.00 0.00 55.97 53.56 2ysa s LYS 38 Cb -0.03 -2.50 -0.04 0.00 -2.06 0.00 0.00 37.83 33.20 2ysa s LYS 38 CO 0.01 -0.34 -0.24 0.21 0.10 0.00 0.00 175.35 175.09 2ysa s LYS 39 N -4.28 1.37 0.06 1.78 2.20 -1.26 -5.04 119.74 114.56 2ysa s LYS 39 Ca 0.51 -1.37 -0.34 0.00 -0.36 0.00 0.00 55.97 54.41 2ysa s LYS 39 Cb -0.05 -1.73 -0.13 0.00 -1.51 0.00 0.00 37.83 34.41 2ysa s LYS 39 CO 0.30 0.39 1.71 -1.13 -0.36 0.00 0.00 175.35 176.27 2ysa n SER 40 N 0.71 3.26 -4.88 1.43 3.41 -1.26 -4.96 113.62 111.33 2ysa n SER 40 Ca -0.16 1.03 -0.30 0.00 -0.26 0.00 0.00 58.87 59.18 2ysa n SER 40 Cb 0.54 -1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.05 2ysa n SER 40 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ysa s THR 41 N 2.29 4.85 0.00 6.66 2.01 -1.26 -5.01 115.64 125.18 2ysa s THR 41 Ca 0.85 0.51 0.00 0.00 0.31 0.00 0.00 61.69 63.35 2ysa s THR 41 Cb -0.68 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2ysa s THR 41 CO 0.44 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.64 2ysa n GLY 42 N -0.86 3.56 3.84 4.40 0.00 -1.26 -5.09 105.19 109.78 2ysa n GLY 42 Ca 0.01 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2ysa n GLY 42 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ysa s ILE 43 N -2.56 4.56 -0.02 -0.61 -5.25 -1.26 -5.01 121.20 111.05 2ysa s ILE 43 Ca 0.00 1.16 -0.25 0.00 -0.99 0.00 0.00 60.65 60.56 2ysa s ILE 43 Cb 0.00 -3.65 -0.19 0.00 2.95 0.00 0.00 42.46 41.57 2ysa s ILE 43 CO 0.00 -0.39 1.23 1.55 -1.79 0.00 0.00 174.94 175.54 2ysa h PRO 44 N 1.70 -0.07 -2.28 0.37 0.13 -2.01 -3.48 132.00 126.36 2ysa h PRO 44 Ca -0.48 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.85 2ysa h PRO 44 Cb 1.18 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2ysa h PRO 44 CO 0.63 0.39 0.54 -0.98 -0.23 0.00 0.00 178.00 178.35 2ysa s ARG 45 N -4.23 1.14 -0.08 0.86 1.70 -1.26 -5.16 118.95 111.92 2ysa s ARG 45 Ca -0.15 -0.66 -0.01 0.00 -0.47 0.00 0.00 55.73 54.44 2ysa s ARG 45 Cb 0.02 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 2ysa s ARG 45 CO 0.64 -0.52 -0.01 -1.54 -1.08 0.00 0.00 175.30 172.78 2ysa s SER 46 N -3.05 1.70 -0.03 -2.89 1.04 -1.26 -4.99 113.70 104.22 2ysa s SER 46 Ca 0.15 -0.13 0.14 0.00 0.48 0.00 0.00 55.95 56.58 2ysa s SER 46 Cb -0.01 -0.50 0.41 0.00 0.10 0.00 0.00 66.02 66.02 2ysa s SER 46 CO 0.02 -0.19 1.35 0.33 0.98 0.00 0.00 173.24 175.73 2ysa n PHE 47 N 5.11 0.67 -1.85 5.02 7.35 -1.26 -5.00 117.46 127.51 2ysa n PHE 47 Ca -0.08 -0.55 -0.42 0.00 -0.76 0.00 0.00 57.45 55.64 2ysa n PHE 47 Cb 0.50 -0.07 -0.03 0.00 0.35 0.00 0.00 39.48 40.23 2ysa n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ysa s MET 48 N -1.25 4.18 -0.29 -4.13 0.23 -1.26 -4.98 119.30 111.81 2ysa s MET 48 Ca 0.31 2.45 0.02 0.00 -1.03 0.00 0.00 55.69 57.44 2ysa s MET 48 Cb 0.18 -3.32 0.18 0.00 -1.53 0.00 0.00 34.83 30.33 2ysa s MET 48 CO 0.19 -0.71 0.50 -1.64 -2.03 0.00 0.00 175.02 171.33 2ysa s MET 49 N 1.80 0.48 -0.16 3.16 -1.94 -1.26 -5.00 119.30 116.38 2ysa s MET 49 Ca 0.74 0.48 0.16 0.00 -1.71 0.00 0.00 55.69 55.36 2ysa s MET 49 Cb -0.44 0.01 0.62 0.00 2.01 0.00 0.00 34.83 37.03 2ysa s MET 49 CO 0.33 -0.91 1.53 0.39 -0.01 0.00 0.00 175.02 176.34 2ysa n GLU 50 N 5.39 3.60 0.00 2.03 4.71 -1.26 -4.49 120.64 130.62 2ysa n GLU 50 Ca 0.01 -2.85 0.00 0.00 -0.01 0.00 0.00 57.16 54.31 2ysa n GLU 50 Cb 0.51 -1.90 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 2ysa n GLU 50 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2ysa n VAL 51 N 0.20 0.00 -3.54 2.62 0.24 -1.26 -4.65 118.33 111.94 2ysa n VAL 51 Ca 0.23 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.11 2ysa n VAL 51 Cb 0.92 -0.06 -0.10 0.00 -1.47 0.00 0.00 33.84 33.13 2ysa n VAL 51 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2ysa s LYS 52 N -1.94 2.81 -0.24 7.34 -0.14 -1.26 -5.03 119.74 121.28 2ysa s LYS 52 Ca 0.00 -1.23 -0.05 0.00 -1.36 0.00 0.00 55.97 53.33 2ysa s LYS 52 Cb 0.00 -3.85 0.12 0.00 -1.68 0.00 0.00 37.83 32.42 2ysa s LYS 52 CO 0.00 -0.84 0.46 0.16 -0.76 0.00 0.00 175.35 174.37 2ysa s ASP 53 N 1.92 -0.35 -0.02 2.83 -4.77 -1.26 -5.06 116.67 109.96 2ysa s ASP 53 Ca 0.03 0.83 -0.25 0.00 -3.30 0.00 0.00 52.55 49.85 2ysa s ASP 53 Cb -0.21 1.49 -0.20 0.00 -1.09 0.00 0.00 42.92 42.92 2ysa s ASP 53 CO 0.06 -0.25 1.23 1.55 0.70 0.00 0.00 175.17 178.45 2ysa h PRO 54 N 8.13 -0.06 -0.01 2.11 0.13 -2.01 -3.56 132.00 136.73 2ysa h PRO 54 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2ysa h PRO 54 Cb 1.13 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2ysa h PRO 54 CO 0.18 0.40 0.00 -1.71 -0.23 0.00 0.00 178.00 176.64