#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 5.62 -0.23 1.61 0.01 -1.26 -5.10 113.70 114.35 2ysa s SER 2 Ca 0.00 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.44 2ysa s SER 2 Cb 0.00 -1.63 0.04 0.00 0.21 0.00 0.00 66.02 64.64 2ysa s SER 2 CO 0.00 0.31 -0.12 -0.94 0.41 0.00 0.00 173.24 172.90 2ysa s SER 3 N -1.46 4.01 0.00 2.44 1.04 -1.26 -4.85 113.70 113.62 2ysa s SER 3 Ca 0.20 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2ysa s SER 3 Cb -0.12 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.44 2ysa s SER 3 CO 0.10 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2ysa n GLY 4 N 4.56 -0.27 0.34 7.32 0.00 -1.26 -4.98 105.19 110.91 2ysa n GLY 4 Ca -0.17 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 2ysa n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ysa n SER 5 N 0.00 -0.68 -4.23 1.61 7.64 -1.26 -4.46 113.62 112.24 2ysa n SER 5 Ca 0.00 1.52 -0.22 0.00 1.01 0.00 0.00 58.87 61.19 2ysa n SER 5 Cb 0.00 -0.30 -0.13 0.00 -1.01 0.00 0.00 64.21 62.78 2ysa n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ysa s SER 6 N -5.35 2.15 0.12 6.43 0.01 -1.26 -5.06 113.70 110.74 2ysa s SER 6 Ca -0.11 -0.62 -0.26 0.00 1.31 0.00 0.00 55.95 56.26 2ysa s SER 6 Cb 0.15 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.22 2ysa s SER 6 CO 0.59 0.02 1.62 1.23 0.41 0.00 0.00 173.24 177.12 2ysa h GLY 7 N 4.31 -0.45 -2.41 3.44 0.00 -1.95 -3.45 103.07 102.56 2ysa h GLY 7 Ca -0.43 0.35 0.11 0.00 0.00 0.00 0.00 47.33 47.36 2ysa h GLY 7 CO 0.41 -0.22 0.37 -2.52 0.00 0.00 0.00 176.54 174.58 2ysa s TYR 8 N -6.03 -0.22 0.01 5.60 -0.85 -1.26 -4.86 117.35 109.75 2ysa s TYR 8 Ca -0.15 -0.11 -0.14 0.00 -0.52 0.00 0.00 57.07 56.14 2ysa s TYR 8 Cb 0.09 0.64 0.02 0.00 0.38 0.00 0.00 41.96 43.10 2ysa s TYR 8 CO 0.66 -0.93 0.30 0.99 -1.52 0.00 0.00 175.55 175.05 2ysa s THR 9 N -3.52 0.07 -0.28 -3.49 2.01 -1.26 -4.80 115.64 104.36 2ysa s THR 9 Ca 0.10 -0.58 -0.34 0.00 0.31 0.00 0.00 61.69 61.18 2ysa s THR 9 Cb -0.03 -0.77 -0.11 0.00 0.01 0.00 0.00 72.50 71.61 2ysa s THR 9 CO 0.01 -0.32 2.11 0.00 -0.69 0.00 0.00 174.62 175.74 2ysa n PHE 11 N 9.30 0.00 -0.01 0.00 7.35 -1.26 -0.68 117.46 132.16 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 0.26 -0.06 -0.00 0.00 0.35 0.00 0.00 39.48 40.03 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 -1.90 -3.42 114.38 107.35 2ysa h ARG 12 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 2ysa h ARG 12 Cb 0.05 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 2ysa h ARG 12 CO 0.00 0.00 -2.25 0.00 -1.51 0.00 0.00 179.97 176.21 2ysa n GLY 14 N 1.65 1.10 3.06 0.00 0.00 0.14 -3.49 105.19 107.66 2ysa n GLY 14 Ca -0.26 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.66 1.93 1.15 1.61 -0.14 -1.23 -4.72 119.74 117.66 2ysa s LYS 15 Ca 0.00 -0.51 -0.19 0.00 -1.36 0.00 0.00 55.97 53.91 2ysa s LYS 15 Cb 0.00 -1.56 0.28 0.00 -1.68 0.00 0.00 37.83 34.87 2ysa s LYS 15 CO 0.00 0.07 1.02 -0.35 -0.76 0.00 0.00 175.35 175.33 2ysa n PRO 16 N 3.71 -3.00 0.00 -1.68 -0.04 -1.26 -2.78 135.00 129.94 2ysa n PRO 16 Ca -0.22 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 2ysa n PRO 16 Cb 0.52 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -4.27 2.69 3.20 0.55 0.00 -1.26 -4.88 105.19 101.21 2ysa n GLY 17 Ca 0.14 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.20 1.08 0.18 1.61 -3.43 -1.26 -5.12 115.29 107.15 2ysa s HIS 18 Ca 0.00 -1.25 0.07 0.00 -0.80 0.00 0.00 55.06 53.07 2ysa s HIS 18 Cb 0.00 -0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 30.53 2ysa s HIS 18 CO 0.00 -0.50 0.05 1.52 -2.00 0.00 0.00 174.74 173.80 2ysa s TYR 19 N -4.01 2.93 0.46 0.38 1.13 -1.26 -3.08 117.35 113.90 2ysa s TYR 19 Ca 0.31 -0.10 0.31 0.00 -1.41 0.00 0.00 57.07 56.17 2ysa s TYR 19 Cb 0.07 -1.41 1.41 0.00 -1.10 0.00 0.00 41.96 40.93 2ysa s TYR 19 CO 0.07 0.52 1.69 0.97 -2.51 0.00 0.00 175.55 176.29 2ysa h ILE 20 N 2.28 0.27 -0.07 -3.49 2.10 -1.89 1.42 117.51 118.13 2ysa h ILE 20 Ca -0.47 -0.05 -0.15 0.00 1.08 0.00 0.00 64.86 65.27 2ysa h ILE 20 Cb 1.21 0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.04 2ysa h ILE 20 CO 0.60 0.03 -0.63 0.11 -1.08 0.00 0.00 178.15 177.17 2ysa h LYS 21 N 0.14 0.27 -0.50 2.19 1.57 -2.01 -3.03 116.57 115.19 2ysa h LYS 21 Ca 0.73 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2ysa h LYS 21 Cb 2.39 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.73 2ysa h LYS 21 CO -0.26 0.81 0.00 -1.71 -0.57 0.00 0.00 179.45 177.73 2ysa n ASN 22 N -3.86 4.81 -4.74 0.86 5.15 0.44 -4.99 115.26 112.92 2ysa n ASN 22 Ca -0.03 -2.75 -0.41 0.00 -0.60 0.00 0.00 54.58 50.79 2ysa n ASN 22 Cb 0.64 -0.59 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 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 5.03 0.23 -1.84 0.00 0.13 -1.91 -3.13 132.00 130.51 2ysa h PRO 24 Ca -0.45 -0.12 0.53 0.00 -0.87 0.00 0.00 66.00 65.09 2ysa h PRO 24 Cb 1.22 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 2ysa h PRO 24 CO 0.76 0.65 1.40 1.79 -0.23 0.00 0.00 178.00 182.37 2ysa h THR 25 N -0.18 0.01 -0.76 1.56 1.35 -1.94 0.17 112.91 113.12 2ysa h THR 25 Ca 0.02 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.03 2ysa h THR 25 Cb 0.61 0.01 -0.14 0.00 -1.73 0.00 0.00 68.15 66.89 2ysa h THR 25 CO 0.02 0.00 -0.15 0.78 -0.25 0.00 0.00 175.52 175.92 2ysa h ASN 26 N 0.00 -0.63 -1.10 5.36 2.35 -1.92 0.66 115.58 120.30 2ysa h ASN 26 Ca 0.87 0.22 -0.52 0.00 -0.55 0.00 0.00 56.30 56.33 2ysa h ASN 26 Cb 3.66 0.45 -0.19 0.00 0.05 0.00 0.00 38.32 42.29 2ysa h ASN 26 CO -0.01 -0.24 0.51 0.61 -1.65 0.00 0.00 177.43 176.65 2ysa n GLY 27 N -1.48 4.55 3.24 2.83 0.00 0.59 -4.88 105.19 110.05 2ysa n GLY 27 Ca 0.11 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 0.01 -0.25 -0.22 1.61 1.01 0.22 -5.07 116.67 113.97 2ysa s ASP 28 Ca 0.54 0.30 -0.19 0.00 0.71 0.00 0.00 52.55 53.92 2ysa s ASP 28 Cb 0.38 0.45 -0.16 0.00 1.01 0.00 0.00 42.92 44.60 2ysa s ASP 28 CO -0.20 -0.34 0.02 0.29 0.21 0.00 0.00 175.17 175.15 2ysa n LYS 29 N 1.82 0.56 -3.78 8.23 4.76 -1.26 -4.83 118.16 123.66 2ysa n LYS 29 Ca -0.19 0.48 -0.37 0.00 -2.87 0.00 0.00 58.31 55.37 2ysa n LYS 29 Cb 0.57 -1.67 -0.12 0.00 -1.84 0.00 0.00 35.03 31.96 2ysa n LYS 29 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2ysa s ASN 30 N -6.92 5.23 0.32 4.39 2.47 -1.26 -5.08 114.94 114.09 2ysa s ASN 30 Ca -0.30 -1.48 0.03 0.00 0.42 0.00 0.00 52.86 51.53 2ysa s ASN 30 Cb 0.08 -1.83 -0.05 0.00 -1.45 0.00 0.00 41.25 38.00 2ysa s ASN 30 CO 0.53 -0.40 0.09 0.72 -3.72 0.00 0.00 177.10 174.32 2ysa s PHE 31 N 1.29 1.81 1.08 0.43 -0.71 -1.26 -5.16 117.98 115.47 2ysa s PHE 31 Ca 0.01 -1.09 -0.16 0.00 -1.04 0.00 0.00 56.93 54.65 2ysa s PHE 31 Cb -0.21 -1.15 0.23 0.00 -1.21 0.00 0.00 43.02 40.68 2ysa s PHE 31 CO -0.00 -0.16 1.12 -1.83 -1.34 0.00 0.00 175.22 173.01 2ysa s GLU 32 N -3.89 -0.28 0.01 1.99 1.03 -1.26 -5.07 118.70 111.23 2ysa s GLU 32 Ca 0.34 0.14 0.06 0.00 0.03 0.00 0.00 54.97 55.55 2ysa s GLU 32 Cb 0.07 -1.69 -0.02 0.00 -0.80 0.00 0.00 34.13 31.70 2ysa s GLU 32 CO 0.15 -3.13 -0.19 -1.12 -1.33 0.00 0.00 175.26 169.64 2ysa s SER 33 N -3.82 2.25 0.00 0.83 0.01 -1.26 -5.05 113.70 106.66 2ysa s SER 33 Ca 0.68 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2ysa s SER 33 Cb -0.13 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2ysa s SER 33 CO 0.56 0.19 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2ysa n GLY 34 N 2.27 0.49 0.06 3.44 0.00 -1.23 -3.89 105.19 106.33 2ysa n GLY 34 Ca -0.16 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 2ysa n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysa h PRO 35 N 0.00 0.01 -3.57 1.61 0.13 -1.85 -3.47 132.00 124.85 2ysa h PRO 35 Ca 0.00 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 2ysa h PRO 35 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2ysa h PRO 35 CO 0.00 0.49 0.02 1.03 -0.23 0.00 0.00 178.00 179.31 2ysa s ARG 36 N -4.26 2.00 0.39 0.86 0.52 -1.25 -5.04 118.95 112.17 2ysa s ARG 36 Ca -0.16 -1.54 0.19 0.00 -0.52 0.00 0.00 55.73 53.70 2ysa s ARG 36 Cb 0.02 0.53 0.79 0.00 0.52 0.00 0.00 34.95 36.81 2ysa s ARG 36 CO 0.68 -0.88 1.79 0.97 0.02 0.00 0.00 175.30 177.88 2ysa h ILE 37 N 2.08 0.90 -3.36 1.52 2.10 -1.94 -3.43 117.51 115.38 2ysa h ILE 37 Ca -0.29 -1.35 -0.56 0.00 1.08 0.00 0.00 64.86 63.74 2ysa h ILE 37 Cb 1.25 1.81 -0.05 0.00 -1.09 0.00 0.00 36.82 38.74 2ysa h ILE 37 CO 0.38 0.33 0.26 -0.54 -1.08 0.00 0.00 178.15 177.51 2ysa s LYS 38 N -3.77 4.45 -0.25 2.19 -0.14 -1.26 -4.95 119.74 116.00 2ysa s LYS 38 Ca -0.01 1.10 -0.12 0.00 -1.36 0.00 0.00 55.97 55.58 2ysa s LYS 38 Cb 0.12 -3.48 -0.15 0.00 -1.68 0.00 0.00 37.83 32.63 2ysa s LYS 38 CO 0.68 -0.07 -0.17 1.17 -0.76 0.00 0.00 175.35 176.19 2ysa n LYS 39 N 4.18 0.61 -3.72 1.68 4.81 -1.26 -4.99 118.16 119.46 2ysa n LYS 39 Ca 0.03 0.31 -0.09 0.00 -0.87 0.00 0.00 58.31 57.68 2ysa n LYS 39 Cb 0.51 -1.56 -0.03 0.00 0.02 0.00 0.00 35.03 33.96 2ysa n LYS 39 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2ysa s SER 40 N -7.18 -0.31 -0.20 3.14 1.04 -1.26 -5.09 113.70 103.84 2ysa s SER 40 Ca -0.35 -0.44 -0.16 0.00 0.48 0.00 0.00 55.95 55.48 2ysa s SER 40 Cb 0.12 0.62 -0.12 0.00 0.10 0.00 0.00 66.02 66.74 2ysa s SER 40 CO 0.55 -1.11 -0.07 0.35 0.98 0.00 0.00 173.24 173.93 2ysa n THR 41 N -0.38 1.50 0.00 2.02 -2.24 -1.26 -4.99 114.28 108.93 2ysa n THR 41 Ca -0.10 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2ysa n THR 41 Cb 0.62 -2.15 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 2ysa n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ysa n GLY 42 N 1.45 0.00 3.13 3.38 0.00 -1.26 -5.17 105.19 106.72 2ysa n GLY 42 Ca -0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 0.96 -0.02 -0.61 -4.36 -1.26 -5.07 121.20 110.84 2ysa s ILE 43 Ca 0.00 -1.07 -0.25 0.00 -0.26 0.00 0.00 60.65 59.06 2ysa s ILE 43 Cb 0.00 -0.92 -0.20 0.00 1.25 0.00 0.00 42.46 42.60 2ysa s ILE 43 CO 0.00 -0.14 1.23 1.55 0.24 0.00 0.00 174.94 177.82 2ysa h PRO 44 N 4.69 -0.05 -2.18 0.37 0.13 -2.05 -3.46 132.00 129.45 2ysa h PRO 44 Ca -0.38 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.76 2ysa h PRO 44 Cb 1.19 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 2ysa h PRO 44 CO 0.42 0.42 -0.19 -0.98 -0.23 0.00 0.00 178.00 177.44 2ysa s ARG 45 N -4.21 0.51 -0.16 0.86 1.70 -1.26 -5.05 118.95 111.35 2ysa s ARG 45 Ca -0.15 1.27 -0.13 0.00 -0.47 0.00 0.00 55.73 56.25 2ysa s ARG 45 Cb 0.02 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2ysa s ARG 45 CO 0.65 -0.20 -0.24 0.45 -1.08 0.00 0.00 175.30 174.87 2ysa n SER 46 N 5.21 1.86 -0.10 -2.89 2.88 -1.26 -4.59 113.62 114.72 2ysa n SER 46 Ca -0.13 0.52 -0.18 0.00 -1.33 0.00 0.00 58.87 57.75 2ysa n SER 46 Cb 0.51 -0.82 -0.12 0.00 -0.75 0.00 0.00 64.21 63.02 2ysa n SER 46 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2ysa n PHE 47 N -4.55 0.26 0.17 0.66 3.01 -1.26 -4.26 117.46 111.48 2ysa n PHE 47 Ca -0.10 0.06 0.13 0.00 1.01 0.00 0.00 57.45 58.54 2ysa n PHE 47 Cb 0.37 -1.03 0.39 0.00 -0.01 0.00 0.00 39.48 39.19 2ysa n PHE 47 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 2ysa h MET 48 N 0.01 0.00 -6.41 -1.08 2.86 -1.97 -3.35 114.93 104.99 2ysa h MET 48 Ca -0.55 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.53 2ysa h MET 48 Cb 1.94 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 33.51 2ysa h MET 48 CO -0.05 0.00 0.92 1.41 1.06 0.00 0.00 176.91 180.25 2ysa s MET 49 N -4.20 3.43 -0.02 1.72 -2.45 -1.26 -4.83 119.30 111.69 2ysa s MET 49 Ca -0.02 0.08 0.15 0.00 -1.25 0.00 0.00 55.69 54.65 2ysa s MET 49 Cb 0.07 -4.05 0.44 0.00 1.25 0.00 0.00 34.83 32.54 2ysa s MET 49 CO 0.24 -1.72 1.37 -0.85 1.05 0.00 0.00 175.02 175.11 2ysa n GLU 50 N 8.41 2.92 -2.17 4.11 0.00 -1.26 -5.00 120.64 127.65 2ysa n GLU 50 Ca 0.06 -2.32 -0.41 0.00 0.00 0.00 0.00 57.16 54.49 2ysa n GLU 50 Cb 0.49 -1.43 -0.03 0.00 0.00 0.00 0.00 31.44 30.47 2ysa n GLU 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2ysa s VAL 51 N -1.21 3.00 0.02 3.84 -7.23 -1.26 -5.03 120.40 112.53 2ysa s VAL 51 Ca 0.33 0.87 0.04 0.00 -1.81 0.00 0.00 61.98 61.42 2ysa s VAL 51 Cb 0.19 -3.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.55 2ysa s VAL 51 CO 0.20 0.15 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.27 2ysa s LYS 52 N -0.61 0.93 -0.08 4.82 2.20 -1.26 -5.14 119.74 120.59 2ysa s LYS 52 Ca 0.55 -0.62 -0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2ysa s LYS 52 Cb -0.38 -0.91 0.02 0.00 -1.51 0.00 0.00 37.83 35.06 2ysa s LYS 52 CO 0.43 0.23 -0.05 0.34 -0.36 0.00 0.00 175.35 175.94 2ysa s ASP 53 N -0.81 1.74 0.39 1.43 2.15 -1.26 -5.01 116.67 115.30 2ysa s ASP 53 Ca 0.02 -0.20 0.28 0.00 0.43 0.00 0.00 52.55 53.08 2ysa s ASP 53 Cb -0.07 -0.65 1.17 0.00 -0.30 0.00 0.00 42.92 43.08 2ysa s ASP 53 CO 0.01 -0.11 1.84 1.55 -0.17 0.00 0.00 175.17 178.28 2ysa h PRO 54 N 7.92 0.00 0.00 4.34 0.13 -2.07 -3.58 132.00 138.75 2ysa h PRO 54 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2ysa h PRO 54 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2ysa h PRO 54 CO 0.38 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.44