#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 0.00 -4.15 1.61 0.87 -2.07 -3.47 113.55 106.34 2ysa h SER 2 Ca 0.00 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.10 2ysa h SER 2 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2ysa h SER 2 CO 0.00 0.53 0.37 -0.94 -0.53 0.00 0.00 176.83 176.25 2ysa s SER 3 N -5.30 6.70 0.00 6.23 1.04 -1.26 -4.44 113.70 116.67 2ysa s SER 3 Ca -0.06 1.62 0.00 0.00 0.48 0.00 0.00 55.95 57.99 2ysa s SER 3 Cb 0.01 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2ysa s SER 3 CO 0.08 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2ysa n GLY 4 N -1.27 3.87 0.11 7.32 0.00 -1.26 -4.93 105.19 109.03 2ysa n GLY 4 Ca 0.07 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2ysa n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ysa n SER 5 N 0.00 1.86 -4.72 1.61 3.41 -1.26 -4.92 113.62 109.60 2ysa n SER 5 Ca 0.00 0.42 -0.37 0.00 -0.26 0.00 0.00 58.87 58.66 2ysa n SER 5 Cb 0.00 -0.95 0.06 0.00 -0.26 0.00 0.00 64.21 63.06 2ysa n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ysa n SER 6 N -4.43 2.10 -4.41 4.04 7.64 -1.26 -4.77 113.62 112.52 2ysa n SER 6 Ca -0.33 0.86 -0.51 0.00 1.01 0.00 0.00 58.87 59.90 2ysa n SER 6 Cb 0.68 -1.55 -0.09 0.00 -1.01 0.00 0.00 64.21 62.25 2ysa n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysa n GLY 7 N 0.92 0.23 3.15 0.23 0.00 -1.26 -4.89 105.19 103.57 2ysa n GLY 7 Ca 0.15 0.98 -0.25 0.00 0.00 0.00 0.00 46.02 46.90 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 9.85 -2.41 -3.50 1.61 0.18 -1.26 -5.06 117.16 116.58 2ysa n TYR 8 Ca 0.46 -0.17 -0.16 0.00 1.88 0.00 0.00 57.90 59.91 2ysa n TYR 8 Cb 0.17 -1.43 -0.05 0.00 -0.38 0.00 0.00 39.34 37.65 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 -2.14 0.00 -0.28 -3.48 2.01 -1.26 -4.84 115.64 105.65 2ysa s THR 9 Ca 0.50 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 62.17 2ysa s THR 9 Cb -0.10 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.32 2ysa s THR 9 CO 0.48 0.00 2.17 0.00 -0.69 0.00 0.00 174.62 176.58 2ysa n PHE 11 N 10.14 0.00 -0.01 0.00 7.35 -1.26 -0.92 117.46 132.76 2ysa n PHE 11 Ca 0.36 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 57.05 2ysa n PHE 11 Cb 0.30 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.13 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 -1.89 -3.43 114.38 107.36 2ysa h ARG 12 Ca 0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 2ysa h ARG 12 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 2ysa h ARG 12 CO 0.00 0.00 -2.23 0.00 -1.51 0.00 0.00 179.97 176.23 2ysa n GLY 14 N 1.69 1.13 3.07 0.00 0.00 -0.10 -5.09 105.19 105.90 2ysa n GLY 14 Ca -0.28 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.17 1.76 0.58 1.61 -0.14 -1.24 -4.88 119.74 117.26 2ysa s LYS 15 Ca 0.00 -0.50 -0.10 0.00 -1.36 0.00 0.00 55.97 54.01 2ysa s LYS 15 Cb 0.00 -1.47 0.14 0.00 -1.68 0.00 0.00 37.83 34.82 2ysa s LYS 15 CO 0.00 0.11 0.51 -0.35 -0.76 0.00 0.00 175.35 174.86 2ysa n PRO 16 N 3.53 -2.02 0.00 -1.68 -0.04 -1.26 -2.64 135.00 130.89 2ysa n PRO 16 Ca -0.21 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 2ysa n PRO 16 Cb 0.52 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 2ysa n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ysa n GLY 17 N -0.93 2.40 3.26 0.55 0.00 -1.26 -4.86 105.19 104.35 2ysa n GLY 17 Ca 0.07 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.54 1.39 0.27 1.61 -3.43 -1.26 -5.11 115.29 108.22 2ysa s HIS 18 Ca 0.00 -1.35 0.09 0.00 -0.80 0.00 0.00 55.06 53.00 2ysa s HIS 18 Cb 0.00 -0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.39 2ysa s HIS 18 CO 0.00 -0.55 0.02 1.52 -2.00 0.00 0.00 174.74 173.73 2ysa s TYR 19 N -3.89 2.75 0.45 0.38 1.13 -1.26 -2.92 117.35 113.98 2ysa s TYR 19 Ca 0.38 -0.21 0.24 0.00 -1.41 0.00 0.00 57.07 56.07 2ysa s TYR 19 Cb 0.06 -1.22 1.25 0.00 -1.10 0.00 0.00 41.96 40.95 2ysa s TYR 19 CO 0.15 0.61 1.80 0.97 -2.51 0.00 0.00 175.55 176.57 2ysa h ILE 20 N 1.83 0.52 -0.02 -3.49 2.10 -1.88 0.76 117.51 117.33 2ysa h ILE 20 Ca -0.45 -0.09 -0.19 0.00 1.08 0.00 0.00 64.86 65.22 2ysa h ILE 20 Cb 1.25 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 37.20 2ysa h ILE 20 CO 0.60 0.05 -0.81 0.11 -1.08 0.00 0.00 178.15 177.02 2ysa h LYS 21 N 0.26 0.22 -0.58 2.19 1.57 -2.00 -3.12 116.57 115.11 2ysa h LYS 21 Ca 0.55 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2ysa h LYS 21 Cb 1.66 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.03 2ysa h LYS 21 CO -0.18 0.91 0.00 -1.71 -0.57 0.00 0.00 179.45 177.90 2ysa n ASN 22 N -3.71 4.94 -4.74 0.86 5.15 0.17 -4.98 115.26 112.94 2ysa n ASN 22 Ca -0.03 -2.64 -0.41 0.00 -0.60 0.00 0.00 54.58 50.89 2ysa n ASN 22 Cb 0.76 -0.60 -0.03 0.00 -0.53 0.00 0.00 39.78 39.39 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 5.05 0.30 -1.19 0.00 0.13 -1.92 -3.18 132.00 131.20 2ysa h PRO 24 Ca -0.45 -0.16 0.37 0.00 -0.87 0.00 0.00 66.00 64.89 2ysa h PRO 24 Cb 1.22 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 2ysa h PRO 24 CO 0.76 0.70 0.81 0.25 -0.23 0.00 0.00 178.00 180.29 2ysa n THR 25 N -4.60 -0.10 -1.68 1.56 -2.24 -1.26 -4.34 114.28 101.63 2ysa n THR 25 Ca -0.06 1.18 -0.46 0.00 -2.27 0.00 0.00 64.05 62.44 2ysa n THR 25 Cb 0.35 -1.95 -0.04 0.00 -2.10 0.00 0.00 70.33 66.59 2ysa n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ysa n ASN 26 N -3.76 3.43 0.00 3.42 3.02 -1.21 -1.35 115.26 118.81 2ysa n ASN 26 Ca 0.30 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.88 2ysa n ASN 26 Cb 1.27 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2ysa n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ysa n GLY 27 N 3.91 2.82 3.60 7.41 0.00 -1.26 -5.00 105.19 116.67 2ysa n GLY 27 Ca 0.19 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 0.43 5.38 0.09 1.61 1.11 -0.46 -4.87 116.67 119.97 2ysa s ASP 28 Ca 0.00 1.79 -0.32 0.00 0.18 0.00 0.00 52.55 54.19 2ysa s ASP 28 Cb 0.00 -2.51 -0.15 0.00 1.07 0.00 0.00 42.92 41.33 2ysa s ASP 28 CO 0.00 -2.03 1.60 0.11 1.18 0.00 0.00 175.17 176.03 2ysa h LYS 29 N 15.36 -0.80 -0.90 8.23 1.57 -1.95 -2.58 116.57 135.51 2ysa h LYS 29 Ca -0.39 0.05 0.23 0.00 -1.87 0.00 0.00 60.65 58.67 2ysa h LYS 29 Cb 1.24 0.18 -0.17 0.00 0.08 0.00 0.00 32.23 33.56 2ysa h LYS 29 CO 0.98 -0.53 -0.06 -1.71 -0.57 0.00 0.00 179.45 177.56 2ysa n ASN 30 N -5.50 -0.17 -4.64 0.86 5.15 -1.26 -3.94 115.26 105.75 2ysa n ASN 30 Ca -0.11 1.53 -0.43 0.00 -0.60 0.00 0.00 54.58 54.97 2ysa n ASN 30 Cb 0.39 -0.53 -0.02 0.00 -0.53 0.00 0.00 39.78 39.10 2ysa n ASN 30 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2ysa s PHE 31 N -5.95 3.20 0.02 1.20 5.36 -0.97 -5.02 117.98 115.82 2ysa s PHE 31 Ca -0.12 1.27 0.01 0.00 -0.96 0.00 0.00 56.93 57.14 2ysa s PHE 31 Cb 0.26 -3.57 -0.01 0.00 -0.34 0.00 0.00 43.02 39.35 2ysa s PHE 31 CO 0.70 -0.68 -0.05 -1.83 -1.46 0.00 0.00 175.22 171.89 2ysa s GLU 32 N 3.52 0.39 0.68 10.12 1.03 -1.25 -4.78 118.70 128.41 2ysa s GLU 32 Ca 0.45 -0.42 -0.15 0.00 0.03 0.00 0.00 54.97 54.88 2ysa s GLU 32 Cb -0.13 -0.24 0.01 0.00 -0.80 0.00 0.00 34.13 32.97 2ysa s GLU 32 CO 0.13 0.05 1.15 -1.54 -1.33 0.00 0.00 175.26 173.72 2ysa s SER 33 N -0.79 4.76 0.00 0.83 1.04 -1.26 -4.88 113.70 113.40 2ysa s SER 33 Ca -0.05 2.16 0.00 0.00 0.48 0.00 0.00 55.95 58.54 2ysa s SER 33 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2ysa s SER 33 CO -0.00 -1.88 0.00 0.61 0.98 0.00 0.00 173.24 172.95 2ysa n GLY 34 N -0.09 -0.38 3.77 7.32 0.00 -1.26 -5.14 105.19 109.41 2ysa n GLY 34 Ca 0.12 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 2ysa n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysa s PRO 35 N -0.03 2.55 -0.36 1.61 0.04 -1.26 -5.01 135.00 132.55 2ysa s PRO 35 Ca 0.00 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 2ysa s PRO 35 Cb 0.00 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 2ysa s PRO 35 CO 0.00 -1.43 0.50 1.03 0.04 0.00 0.00 177.00 177.14 2ysa s ARG 36 N -4.46 3.57 -0.09 4.56 3.00 -1.26 -5.03 118.95 119.25 2ysa s ARG 36 Ca 0.64 -0.23 -0.30 0.00 0.00 0.00 0.00 55.73 55.85 2ysa s ARG 36 Cb -0.19 -3.82 -0.05 0.00 0.00 0.00 0.00 34.95 30.89 2ysa s ARG 36 CO 0.48 -0.66 1.60 -1.50 0.00 0.00 0.00 175.30 175.23 2ysa s ILE 37 N 2.36 3.68 0.08 1.52 1.10 -1.26 -4.95 121.20 123.73 2ysa s ILE 37 Ca 0.18 0.82 -0.31 0.00 -0.51 0.00 0.00 60.65 60.83 2ysa s ILE 37 Cb -0.16 -3.55 -0.07 0.00 0.15 0.00 0.00 42.46 38.83 2ysa s ILE 37 CO 0.13 -0.10 1.46 -1.59 -2.11 0.00 0.00 174.94 172.73 2ysa s LYS 38 N 4.07 4.28 -0.30 3.50 -2.85 -1.26 -4.92 119.74 122.26 2ysa s LYS 38 Ca 0.71 2.12 -0.28 0.00 -1.00 0.00 0.00 55.97 57.52 2ysa s LYS 38 Cb -0.31 -3.39 -0.03 0.00 -2.06 0.00 0.00 37.83 32.03 2ysa s LYS 38 CO 0.28 -0.55 2.00 -1.59 0.10 0.00 0.00 175.35 175.59 2ysa s LYS 39 N 1.75 3.18 0.32 1.78 -2.85 -1.26 -4.97 119.74 117.69 2ysa s LYS 39 Ca 0.67 1.65 0.08 0.00 -1.00 0.00 0.00 55.97 57.37 2ysa s LYS 39 Cb -0.36 -4.29 -0.03 0.00 -2.06 0.00 0.00 37.83 31.08 2ysa s LYS 39 CO 0.30 -2.04 0.20 -1.54 0.10 0.00 0.00 175.35 172.37 2ysa s SER 40 N 7.28 5.07 0.32 0.03 1.04 -1.26 -5.08 113.70 121.09 2ysa s SER 40 Ca 0.89 -0.56 -0.29 0.00 0.48 0.00 0.00 55.95 56.46 2ysa s SER 40 Cb -0.26 -0.95 -0.11 0.00 0.10 0.00 0.00 66.02 64.80 2ysa s SER 40 CO 0.34 -0.26 1.51 -0.89 0.98 0.00 0.00 173.24 174.92 2ysa s THR 41 N -2.32 2.22 -0.36 2.02 2.01 -1.26 -4.75 115.64 113.21 2ysa s THR 41 Ca 0.38 0.20 -0.32 0.00 0.31 0.00 0.00 61.69 62.26 2ysa s THR 41 Cb -0.05 -3.13 -0.14 0.00 0.01 0.00 0.00 72.50 69.19 2ysa s THR 41 CO 0.24 0.04 1.54 0.61 -0.69 0.00 0.00 174.62 176.36 2ysa n GLY 42 N 1.50 -0.11 3.85 4.40 0.00 -1.26 -4.87 105.19 108.71 2ysa n GLY 42 Ca 0.05 0.81 -0.32 0.00 0.00 0.00 0.00 46.02 46.55 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 4.29 4.66 -0.02 -0.61 -5.25 -1.26 -5.01 121.20 118.00 2ysa s ILE 43 Ca 0.86 0.96 -0.25 0.00 -0.99 0.00 0.00 60.65 61.23 2ysa s ILE 43 Cb -1.08 -3.63 -0.20 0.00 2.95 0.00 0.00 42.46 40.50 2ysa s ILE 43 CO 0.48 -0.27 1.24 1.55 -1.79 0.00 0.00 174.94 176.14 2ysa h PRO 44 N 2.01 -0.05 -2.25 0.37 0.13 -2.04 -3.46 132.00 126.72 2ysa h PRO 44 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2ysa h PRO 44 Cb 1.18 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.09 2ysa h PRO 44 CO 0.65 0.42 -0.10 -0.98 -0.23 0.00 0.00 178.00 177.76 2ysa s ARG 45 N -4.23 0.59 -0.21 0.86 1.70 -1.26 -5.07 118.95 111.33 2ysa s ARG 45 Ca -0.16 1.06 -0.17 0.00 -0.47 0.00 0.00 55.73 55.99 2ysa s ARG 45 Cb 0.02 0.08 -0.13 0.00 -0.57 0.00 0.00 34.95 34.35 2ysa s ARG 45 CO 0.65 -0.15 -0.06 -1.13 -1.08 0.00 0.00 175.30 173.53 2ysa n SER 46 N 4.27 1.88 -4.54 -2.89 3.41 -1.26 -4.97 113.62 109.52 2ysa n SER 46 Ca -0.21 0.44 -0.32 0.00 -0.26 0.00 0.00 58.87 58.52 2ysa n SER 46 Cb 0.57 -0.89 0.14 0.00 -0.26 0.00 0.00 64.21 63.77 2ysa n SER 46 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2ysa n PHE 47 N -4.43 -0.30 -4.42 7.33 7.35 -1.26 -5.04 117.46 116.70 2ysa n PHE 47 Ca -0.30 0.32 -0.21 0.00 -0.76 0.00 0.00 57.45 56.49 2ysa n PHE 47 Cb 0.63 -1.90 -0.10 0.00 0.35 0.00 0.00 39.48 38.46 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 -4.05 1.52 -0.18 -4.13 0.23 -1.26 -5.11 119.30 106.31 2ysa s MET 48 Ca 0.62 -1.74 -0.28 0.00 -1.03 0.00 0.00 55.69 53.26 2ysa s MET 48 Cb -0.23 -1.24 -0.00 0.00 -1.53 0.00 0.00 34.83 31.83 2ysa s MET 48 CO 0.62 0.11 0.98 -1.64 -2.03 0.00 0.00 175.02 173.06 2ysa s MET 49 N -3.68 4.32 -0.09 3.16 -1.94 -1.26 -4.91 119.30 114.90 2ysa s MET 49 Ca 0.28 1.29 0.08 0.00 -1.71 0.00 0.00 55.69 55.62 2ysa s MET 49 Cb 0.02 -3.59 0.39 0.00 2.01 0.00 0.00 34.83 33.65 2ysa s MET 49 CO 0.11 -0.46 1.16 0.39 -0.01 0.00 0.00 175.02 176.21 2ysa n GLU 50 N 5.65 2.65 -3.67 2.03 4.71 -1.26 -4.76 120.64 125.99 2ysa n GLU 50 Ca 0.09 -1.50 -0.12 0.00 -0.01 0.00 0.00 57.16 55.62 2ysa n GLU 50 Cb 0.48 -1.72 -0.12 0.00 -1.01 0.00 0.00 31.44 29.06 2ysa n GLU 50 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2ysa s VAL 51 N -1.78 -0.39 -0.20 2.62 0.11 -1.26 -5.13 120.40 114.38 2ysa s VAL 51 Ca 0.26 0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 59.54 2ysa s VAL 51 Cb 0.19 -0.48 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 2ysa s VAL 51 CO 0.10 0.10 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.42 2ysa s LYS 52 N 2.25 1.15 -0.21 1.54 -0.14 -1.26 -5.09 119.74 117.97 2ysa s LYS 52 Ca -0.01 -0.61 -0.04 0.00 -1.36 0.00 0.00 55.97 53.96 2ysa s LYS 52 Cb -0.12 -2.20 0.11 0.00 -1.68 0.00 0.00 37.83 33.94 2ysa s LYS 52 CO -0.09 -0.56 0.29 -0.51 -0.76 0.00 0.00 175.35 173.71 2ysa s ASP 53 N 1.66 0.78 0.10 2.83 1.01 -1.26 -5.04 116.67 116.75 2ysa s ASP 53 Ca -0.02 0.07 -0.15 0.00 0.71 0.00 0.00 52.55 53.16 2ysa s ASP 53 Cb -0.17 0.73 -0.09 0.00 1.01 0.00 0.00 42.92 44.40 2ysa s ASP 53 CO -0.07 -0.30 1.42 1.55 0.21 0.00 0.00 175.17 177.97 2ysa h PRO 54 N 8.25 0.68 -0.01 8.23 0.13 -2.10 -3.57 132.00 143.62 2ysa h PRO 54 Ca -0.18 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2ysa h PRO 54 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2ysa h PRO 54 CO 0.26 0.97 0.00 0.09 -0.23 0.00 0.00 178.00 179.09