#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 -0.70 -3.38 1.61 0.87 -2.07 -3.43 113.55 106.45 2ysa h SER 2 Ca 0.00 0.10 -0.46 0.00 -1.23 0.00 0.00 61.79 60.21 2ysa h SER 2 Cb 0.00 0.30 0.09 0.00 -0.44 0.00 0.00 62.40 62.35 2ysa h SER 2 CO 0.00 -0.29 0.22 -0.94 -0.53 0.00 0.00 176.83 175.29 2ysa s SER 3 N -4.94 4.44 0.00 6.23 1.04 -1.26 -5.04 113.70 114.16 2ysa s SER 3 Ca -0.15 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2ysa s SER 3 Cb 0.10 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.51 2ysa s SER 3 CO 0.66 -1.83 0.89 0.61 0.98 0.00 0.00 173.24 174.55 2ysa n GLY 4 N -3.02 -2.58 3.38 7.32 0.00 -1.26 -4.92 105.19 104.11 2ysa n GLY 4 Ca 0.11 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.04 1.93 0.27 1.61 0.15 -1.26 -4.64 113.70 109.72 2ysa s SER 5 Ca 0.00 -1.34 0.01 0.00 0.70 0.00 0.00 55.95 55.32 2ysa s SER 5 Cb 0.00 0.00 0.61 0.00 -1.71 0.00 0.00 66.02 64.92 2ysa s SER 5 CO 0.00 -0.61 1.72 -1.28 1.20 0.00 0.00 173.24 174.27 2ysa h SER 6 N 2.28 0.36 -0.90 5.45 0.87 -2.03 -3.38 113.55 116.21 2ysa h SER 6 Ca -0.39 0.13 -0.33 0.00 -1.23 0.00 0.00 61.79 59.96 2ysa h SER 6 Cb 1.24 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 2ysa h SER 6 CO 0.66 0.08 1.25 0.61 -0.53 0.00 0.00 176.83 178.90 2ysa n GLY 7 N -1.33 -0.06 3.20 5.77 0.00 -1.26 -4.91 105.19 106.60 2ysa n GLY 7 Ca 0.19 0.59 -0.26 0.00 0.00 0.00 0.00 46.02 46.53 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 15.08 -2.39 -3.49 1.61 0.18 -1.26 -5.01 117.16 121.88 2ysa n TYR 8 Ca 0.47 -0.23 -0.12 0.00 1.88 0.00 0.00 57.90 59.89 2ysa n TYR 8 Cb 0.41 -1.46 -0.03 0.00 -0.38 0.00 0.00 39.34 37.87 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 -2.17 0.00 -0.24 -3.48 2.01 -1.26 -4.85 115.64 105.64 2ysa s THR 9 Ca 0.55 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 62.21 2ysa s THR 9 Cb -0.12 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.29 2ysa s THR 9 CO 0.53 0.00 2.09 0.00 -0.69 0.00 0.00 174.62 176.55 2ysa n PHE 11 N 9.18 0.00 -0.00 0.00 7.35 -1.26 -0.55 117.46 132.18 2ysa n PHE 11 Ca 0.33 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 57.01 2ysa n PHE 11 Cb 0.29 -0.27 -0.00 0.00 0.35 0.00 0.00 39.48 39.85 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 -0.03 0.00 -4.13 2.43 -1.90 -3.42 114.38 107.32 2ysa h ARG 12 Ca 0.00 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.79 2ysa h ARG 12 Cb 0.21 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 2ysa h ARG 12 CO 0.00 -0.02 -2.42 0.00 -1.51 0.00 0.00 179.97 176.01 2ysa n GLY 14 N 1.95 1.04 3.09 0.00 0.00 0.29 -5.08 105.19 106.48 2ysa n GLY 14 Ca -0.38 0.00 -0.26 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 -0.03 1.85 1.22 1.61 -0.14 -1.24 -4.86 119.74 118.15 2ysa s LYS 15 Ca 0.00 -0.54 -0.20 0.00 -1.36 0.00 0.00 55.97 53.88 2ysa s LYS 15 Cb 0.00 -1.54 0.29 0.00 -1.68 0.00 0.00 37.83 34.90 2ysa s LYS 15 CO 0.00 0.13 1.11 -1.25 -0.76 0.00 0.00 175.35 174.58 2ysa s PRO 16 N 0.36 -1.34 0.00 -1.68 0.04 -1.26 -2.72 135.00 128.41 2ysa s PRO 16 Ca -0.10 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.83 2ysa s PRO 16 Cb -0.14 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2ysa s PRO 16 CO 0.04 -3.78 0.00 0.41 0.04 0.00 0.00 177.00 173.70 2ysa n GLY 17 N -0.95 2.93 3.18 0.56 0.00 -1.26 -4.90 105.19 104.76 2ysa n GLY 17 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.37 0.20 0.47 1.61 -3.43 -1.26 -5.12 115.29 106.39 2ysa s HIS 18 Ca 0.00 -0.63 0.08 0.00 -0.80 0.00 0.00 55.06 53.72 2ysa s HIS 18 Cb 0.00 -0.11 0.03 0.00 -1.43 0.00 0.00 32.58 31.06 2ysa s HIS 18 CO 0.00 -0.50 0.59 1.52 -2.00 0.00 0.00 174.74 174.35 2ysa s TYR 19 N -3.69 2.37 0.23 0.38 -0.85 -1.26 -2.70 117.35 111.83 2ysa s TYR 19 Ca 0.04 -0.52 0.35 0.00 -0.52 0.00 0.00 57.07 56.42 2ysa s TYR 19 Cb 0.05 -2.28 1.79 0.00 0.38 0.00 0.00 41.96 41.89 2ysa s TYR 19 CO -0.10 -0.57 2.05 0.97 -1.52 0.00 0.00 175.55 176.38 2ysa h ILE 20 N 0.58 0.00 0.00 -3.49 2.10 -1.89 0.89 117.51 115.70 2ysa h ILE 20 Ca -0.37 -0.10 -0.23 0.00 1.08 0.00 0.00 64.86 65.24 2ysa h ILE 20 Cb 1.28 0.92 -0.04 0.00 -1.09 0.00 0.00 36.82 37.89 2ysa h ILE 20 CO 0.46 0.00 -1.33 0.11 -1.08 0.00 0.00 178.15 176.32 2ysa h LYS 21 N 0.00 0.00 -0.34 2.19 1.57 -2.01 -3.32 116.57 114.66 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 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2ysa h LYS 21 CO 0.00 0.63 0.00 -1.71 -0.57 0.00 0.00 179.45 177.80 2ysa n ASN 22 N -3.14 4.01 -4.74 0.86 5.15 -0.43 -5.01 115.26 111.95 2ysa n ASN 22 Ca -0.09 -2.79 -0.41 0.00 -0.60 0.00 0.00 54.58 50.69 2ysa n ASN 22 Cb 0.96 -0.51 -0.03 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 5.05 0.50 0.00 0.00 0.13 -1.95 -2.96 132.00 132.78 2ysa h PRO 24 Ca -0.46 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2ysa h PRO 24 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ysa h PRO 24 CO 0.76 0.84 0.34 1.79 -0.23 0.00 0.00 178.00 181.50 2ysa h THR 25 N 0.41 0.00 -3.67 1.56 1.35 -1.99 -3.42 112.91 107.15 2ysa h THR 25 Ca 0.03 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.37 2ysa h THR 25 Cb 0.92 0.37 0.06 0.00 -1.73 0.00 0.00 68.15 67.77 2ysa h THR 25 CO 0.08 0.00 0.66 0.20 -0.25 0.00 0.00 175.52 176.21 2ysa s ASN 26 N -3.65 6.78 -1.75 5.36 0.01 -1.12 -2.68 114.94 117.89 2ysa s ASN 26 Ca -0.02 2.62 -0.01 0.00 -0.71 0.00 0.00 52.86 54.74 2ysa s ASN 26 Cb 0.05 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.07 2ysa s ASN 26 CO 0.15 -0.56 0.12 0.61 -1.51 0.00 0.00 177.10 175.91 2ysa n GLY 27 N 1.43 -0.50 3.71 0.66 0.00 -1.26 -4.98 105.19 104.24 2ysa n GLY 27 Ca 0.03 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2ysa n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ysa s ASP 28 N -2.17 4.20 0.88 1.61 2.15 -1.09 -5.15 116.67 117.09 2ysa s ASP 28 Ca 0.06 -1.29 -0.11 0.00 0.43 0.00 0.00 52.55 51.64 2ysa s ASP 28 Cb -0.03 -0.22 0.18 0.00 -0.30 0.00 0.00 42.92 42.56 2ysa s ASP 28 CO 0.07 -0.60 1.22 -0.54 -0.17 0.00 0.00 175.17 175.14 2ysa s LYS 29 N -3.86 0.97 -0.41 4.34 1.02 -1.26 -4.91 119.74 115.62 2ysa s LYS 29 Ca 0.32 -0.66 -0.33 0.00 0.02 0.00 0.00 55.97 55.33 2ysa s LYS 29 Cb 0.05 -2.01 -0.11 0.00 -0.52 0.00 0.00 37.83 35.24 2ysa s LYS 29 CO 0.18 -2.11 2.27 0.09 -0.92 0.00 0.00 175.35 174.86 2ysa n ASN 30 N -3.46 2.09 -4.62 2.83 4.13 -1.26 -4.91 115.26 110.05 2ysa n ASN 30 Ca 0.15 0.24 -0.38 0.00 1.68 0.00 0.00 54.58 56.28 2ysa n ASN 30 Cb 0.60 -1.30 -0.10 0.00 -1.54 0.00 0.00 39.78 37.44 2ysa n ASN 30 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2ysa s PHE 31 N 8.24 3.27 -0.36 3.10 -0.71 -1.26 -5.06 117.98 125.19 2ysa s PHE 31 Ca 1.10 0.26 -0.11 0.00 -1.04 0.00 0.00 56.93 57.14 2ysa s PHE 31 Cb -0.75 -2.40 0.02 0.00 -1.21 0.00 0.00 43.02 38.67 2ysa s PHE 31 CO 0.45 -0.09 0.21 -1.83 -1.34 0.00 0.00 175.22 172.61 2ysa s GLU 32 N 1.57 2.95 0.83 1.99 -1.05 -1.26 -5.08 118.70 118.65 2ysa s GLU 32 Ca 0.10 -0.99 -0.10 0.00 -0.15 0.00 0.00 54.97 53.82 2ysa s GLU 32 Cb -0.15 -3.72 0.09 0.00 -0.44 0.00 0.00 34.13 29.91 2ysa s GLU 32 CO 0.09 -0.64 1.11 0.45 0.95 0.00 0.00 175.26 177.21 2ysa s SER 33 N 1.58 3.91 0.00 0.83 0.15 -1.26 -4.87 113.70 114.04 2ysa s SER 33 Ca 0.03 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.61 2ysa s SER 33 Cb -0.19 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2ysa s SER 33 CO 0.07 -2.43 0.00 0.61 1.20 0.00 0.00 173.24 172.69 2ysa n GLY 34 N -0.73 -0.99 3.70 9.45 0.00 -1.26 -5.15 105.19 110.22 2ysa n GLY 34 Ca 0.10 0.42 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 0.94 0.20 1.61 0.04 -1.26 -5.03 135.00 131.49 2ysa s PRO 35 Ca 0.00 0.71 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 2ysa s PRO 35 Cb 0.00 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 2ysa s PRO 35 CO 0.00 -2.43 0.60 -0.98 0.04 0.00 0.00 177.00 174.23 2ysa s ARG 36 N -4.95 3.99 -0.05 4.56 3.03 -1.26 -5.09 118.95 119.19 2ysa s ARG 36 Ca 0.64 0.53 0.06 0.00 2.03 0.00 0.00 55.73 58.99 2ysa s ARG 36 Cb -0.18 -2.80 -0.02 0.00 -1.03 0.00 0.00 34.95 30.92 2ysa s ARG 36 CO 0.57 0.39 -0.22 -1.50 -1.13 0.00 0.00 175.30 173.41 2ysa s ILE 37 N -1.61 2.34 -0.33 4.99 2.07 -1.26 -5.09 121.20 122.30 2ysa s ILE 37 Ca 0.43 -0.98 -0.29 0.00 -1.41 0.00 0.00 60.65 58.40 2ysa s ILE 37 Cb -0.14 -1.86 0.01 0.00 0.13 0.00 0.00 42.46 40.60 2ysa s ILE 37 CO 0.20 0.57 1.23 -0.75 -1.91 0.00 0.00 174.94 174.28 2ysa s LYS 38 N -0.38 3.91 -0.25 3.50 2.36 -1.26 -5.00 119.74 122.62 2ysa s LYS 38 Ca 0.03 1.10 0.00 0.00 -2.55 0.00 0.00 55.97 54.56 2ysa s LYS 38 Cb -0.12 -3.85 0.04 0.00 -1.05 0.00 0.00 37.83 32.84 2ysa s LYS 38 CO 0.02 -1.12 -0.09 0.15 1.55 0.00 0.00 175.35 175.86 2ysa s LYS 39 N 4.11 2.63 -0.32 4.03 -0.14 -1.26 -5.09 119.74 123.70 2ysa s LYS 39 Ca 0.53 -1.10 -0.09 0.00 -1.36 0.00 0.00 55.97 53.94 2ysa s LYS 39 Cb -0.14 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.09 2ysa s LYS 39 CO 0.23 -0.45 0.15 -1.12 -0.76 0.00 0.00 175.35 173.39 2ysa s SER 40 N 1.24 5.51 0.45 2.83 0.01 -1.26 -4.96 113.70 117.53 2ysa s SER 40 Ca -0.02 -0.62 0.35 0.00 1.31 0.00 0.00 55.95 56.96 2ysa s SER 40 Cb -0.17 -1.99 1.50 0.00 0.21 0.00 0.00 66.02 65.57 2ysa s SER 40 CO -0.05 -0.22 1.53 1.07 0.41 0.00 0.00 173.24 175.97 2ysa n THR 41 N 4.97 -0.20 0.00 1.44 5.66 -1.26 -4.86 114.28 120.03 2ysa n THR 41 Ca -0.14 1.71 0.00 0.00 -3.05 0.00 0.00 64.05 62.57 2ysa n THR 41 Cb 0.48 -2.81 0.00 0.00 -1.55 0.00 0.00 70.33 66.46 2ysa n THR 41 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ysa n GLY 42 N -1.58 1.06 3.80 1.09 0.00 -1.26 -4.98 105.19 103.32 2ysa n GLY 42 Ca 0.40 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 4.65 0.10 -0.61 -5.25 -1.26 -5.04 121.20 113.80 2ysa s ILE 43 Ca 0.00 -0.79 -0.14 0.00 -0.99 0.00 0.00 60.65 58.73 2ysa s ILE 43 Cb 0.00 -3.28 -0.08 0.00 2.95 0.00 0.00 42.46 42.05 2ysa s ILE 43 CO 0.00 0.07 1.43 1.55 -1.79 0.00 0.00 174.94 176.20 2ysa h PRO 44 N 3.04 0.72 -2.22 0.37 0.13 -2.03 -3.48 132.00 128.53 2ysa h PRO 44 Ca -0.47 -0.38 0.16 0.00 -0.87 0.00 0.00 66.00 64.44 2ysa h PRO 44 Cb 1.17 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.19 2ysa h PRO 44 CO 0.67 1.00 0.53 -0.98 -0.23 0.00 0.00 178.00 178.98 2ysa s ARG 45 N -4.36 0.93 0.04 0.86 1.70 -1.26 -5.17 118.95 111.68 2ysa s ARG 45 Ca -0.12 -0.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.70 2ysa s ARG 45 Cb 0.09 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2ysa s ARG 45 CO 0.83 -0.42 0.16 0.45 -1.08 0.00 0.00 175.30 175.24 2ysa s SER 46 N -2.70 6.09 -0.03 -2.89 0.15 -1.26 -5.11 113.70 107.95 2ysa s SER 46 Ca 0.09 0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.95 2ysa s SER 46 Cb -0.01 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.51 2ysa s SER 46 CO -0.04 0.21 -0.01 0.12 1.20 0.00 0.00 173.24 174.72 2ysa s PHE 47 N -1.40 0.38 -0.36 3.44 5.36 -1.26 -5.12 117.98 119.02 2ysa s PHE 47 Ca 0.30 -0.03 -0.12 0.00 -0.96 0.00 0.00 56.93 56.12 2ysa s PHE 47 Cb -0.13 -0.45 0.01 0.00 -0.34 0.00 0.00 43.02 42.11 2ysa s PHE 47 CO 0.23 -0.14 0.22 -1.64 -1.46 0.00 0.00 175.22 172.43 2ysa s MET 48 N 0.99 3.15 -0.04 10.12 -1.94 -1.26 -5.07 119.30 125.24 2ysa s MET 48 Ca -0.10 -0.87 -0.19 0.00 -1.71 0.00 0.00 55.69 52.81 2ysa s MET 48 Cb -0.14 -3.77 -0.05 0.00 2.01 0.00 0.00 34.83 32.88 2ysa s MET 48 CO -0.01 -0.58 0.54 -1.64 -0.01 0.00 0.00 175.02 173.32 2ysa s MET 49 N 1.64 4.28 -0.02 2.03 -1.94 -1.26 -4.95 119.30 119.08 2ysa s MET 49 Ca 0.04 0.61 0.02 0.00 -1.71 0.00 0.00 55.69 54.65 2ysa s MET 49 Cb -0.18 -3.36 0.10 0.00 2.01 0.00 0.00 34.83 33.39 2ysa s MET 49 CO 0.08 0.32 0.75 -1.91 -0.01 0.00 0.00 175.02 174.25 2ysa n GLU 50 N 2.99 1.42 -2.18 2.03 2.13 -1.26 -4.89 120.64 120.89 2ysa n GLU 50 Ca -0.07 -0.38 -0.41 0.00 0.66 0.00 0.00 57.16 56.96 2ysa n GLU 50 Cb 0.51 -1.47 -0.03 0.00 0.27 0.00 0.00 31.44 30.72 2ysa n GLU 50 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2ysa s VAL 51 N -1.37 2.93 0.19 6.31 -7.23 -1.26 -5.00 120.40 114.96 2ysa s VAL 51 Ca 0.07 0.87 -0.25 0.00 -1.81 0.00 0.00 61.98 60.86 2ysa s VAL 51 Cb 0.05 -3.55 -0.08 0.00 0.56 0.00 0.00 36.38 33.35 2ysa s VAL 51 CO 0.02 0.18 0.79 -0.75 -0.31 0.00 0.00 175.10 175.04 2ysa s LYS 52 N -1.18 4.55 -0.16 4.82 2.36 -1.26 -5.04 119.74 123.83 2ysa s LYS 52 Ca 0.51 1.15 -0.22 0.00 -2.55 0.00 0.00 55.97 54.87 2ysa s LYS 52 Cb -0.38 -3.18 -0.03 0.00 -1.05 0.00 0.00 37.83 33.19 2ysa s LYS 52 CO 0.47 0.52 0.66 0.34 1.55 0.00 0.00 175.35 178.89 2ysa s ASP 53 N -1.25 6.79 0.00 1.43 -1.08 -1.26 -4.93 116.67 116.37 2ysa s ASP 53 Ca 0.38 0.96 0.11 0.00 -0.52 0.00 0.00 52.55 53.48 2ysa s ASP 53 Cb -0.22 -2.37 0.64 0.00 -1.46 0.00 0.00 42.92 39.51 2ysa s ASP 53 CO 0.26 -0.24 1.08 -0.81 0.52 0.00 0.00 175.17 175.97 2ysa n PRO 54 N 4.70 0.48 0.00 4.34 -0.04 -1.26 -5.34 135.00 137.89 2ysa n PRO 54 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2ysa n PRO 54 Cb 0.50 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2ysa n PRO 54 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73