#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 -1.20 -0.95 1.61 0.02 -2.08 -2.87 113.55 108.09 2ysa h SER 2 Ca 0.00 0.08 0.16 0.00 -0.84 0.00 0.00 61.79 61.19 2ysa h SER 2 Cb 0.00 0.38 -0.16 0.00 0.14 0.00 0.00 62.40 62.76 2ysa h SER 2 CO 0.00 -0.65 -0.34 -1.20 -1.14 0.00 0.00 176.83 173.50 2ysa n SER 3 N -5.56 -0.55 -3.97 3.07 7.64 -1.26 -3.88 113.62 109.12 2ysa n SER 3 Ca -0.13 1.64 -0.31 0.00 1.01 0.00 0.00 58.87 61.09 2ysa n SER 3 Cb 0.45 -0.40 -0.16 0.00 -1.01 0.00 0.00 64.21 63.09 2ysa n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ysa s GLY 4 N -3.70 1.34 0.42 0.23 0.00 -1.08 -5.12 107.32 99.41 2ysa s GLY 4 Ca -0.13 -1.39 -0.18 0.00 0.00 0.00 0.00 44.72 43.02 2ysa s GLY 4 CO 0.69 0.84 0.89 -0.45 0.00 0.00 0.00 173.10 175.07 2ysa s SER 5 N 1.35 6.80 0.00 1.64 0.15 -1.21 -4.63 113.70 117.80 2ysa s SER 5 Ca -0.06 1.52 0.15 0.00 0.70 0.00 0.00 55.95 58.27 2ysa s SER 5 Cb -0.19 -2.48 0.09 0.00 -1.71 0.00 0.00 66.02 61.74 2ysa s SER 5 CO -0.06 -0.37 0.94 -1.20 1.20 0.00 0.00 173.24 173.75 2ysa n SER 6 N -0.81 2.10 0.00 5.45 7.64 -1.26 -4.96 113.62 121.77 2ysa n SER 6 Ca 0.06 -1.55 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2ysa n SER 6 Cb 0.54 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 2.71 3.79 0.23 0.00 -1.26 -5.19 105.19 106.38 2ysa n GLY 7 Ca 0.08 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 1.94 -0.17 0.02 1.61 -0.85 -1.26 -5.19 117.35 113.44 2ysa s TYR 8 Ca 0.00 -0.26 -0.17 0.00 -0.52 0.00 0.00 57.07 56.12 2ysa s TYR 8 Cb 0.00 0.64 0.03 0.00 0.38 0.00 0.00 41.96 43.02 2ysa s TYR 8 CO 0.00 -1.18 0.38 0.99 -1.52 0.00 0.00 175.55 174.23 2ysa s THR 9 N -3.91 0.06 -0.24 -3.49 2.01 -1.26 -4.75 115.64 104.05 2ysa s THR 9 Ca 0.11 -0.46 -0.33 0.00 0.31 0.00 0.00 61.69 61.32 2ysa s THR 9 Cb -0.05 -0.84 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 2ysa s THR 9 CO 0.05 -0.25 2.11 0.00 -0.69 0.00 0.00 174.62 175.84 2ysa n PHE 11 N 9.49 0.00 -0.01 0.00 7.35 -1.26 -0.47 117.46 132.57 2ysa n PHE 11 Ca 0.33 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 57.02 2ysa n PHE 11 Cb 0.31 -0.16 -0.00 0.00 0.35 0.00 0.00 39.48 39.98 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 -3.42 114.38 107.37 2ysa h ARG 12 Ca 0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 2ysa h ARG 12 Cb 0.12 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 2ysa h ARG 12 CO 0.00 0.00 -2.05 0.00 -1.51 0.00 0.00 179.97 176.41 2ysa n GLY 14 N 1.61 1.03 3.15 0.00 0.00 0.38 -5.08 105.19 106.28 2ysa n GLY 14 Ca -0.23 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.08 1.91 1.19 1.61 -0.14 -1.23 -4.87 119.74 117.13 2ysa s LYS 15 Ca 0.00 -0.64 -0.19 0.00 -1.36 0.00 0.00 55.97 53.78 2ysa s LYS 15 Cb 0.00 -1.64 0.28 0.00 -1.68 0.00 0.00 37.83 34.79 2ysa s LYS 15 CO 0.00 0.25 1.11 -1.25 -0.76 0.00 0.00 175.35 174.70 2ysa s PRO 16 N 0.05 -1.14 0.00 -1.68 0.04 -1.26 -2.43 135.00 128.58 2ysa s PRO 16 Ca -0.05 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 60.96 2ysa s PRO 16 Cb -0.12 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2ysa s PRO 16 CO 0.03 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 173.81 2ysa n GLY 17 N -0.95 2.00 3.53 0.56 0.00 -1.26 -4.88 105.19 104.18 2ysa n GLY 17 Ca 0.13 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.46 1.85 0.38 1.61 -3.43 -1.26 -5.09 115.29 108.88 2ysa s HIS 18 Ca 0.00 -1.15 0.08 0.00 -0.80 0.00 0.00 55.06 53.19 2ysa s HIS 18 Cb 0.00 -1.25 -0.07 0.00 -1.43 0.00 0.00 32.58 29.83 2ysa s HIS 18 CO 0.00 -0.15 0.02 1.52 -2.00 0.00 0.00 174.74 174.13 2ysa s TYR 19 N -3.19 2.52 0.57 0.38 1.13 -1.26 -2.61 117.35 114.89 2ysa s TYR 19 Ca 0.25 -0.56 0.27 0.00 -1.41 0.00 0.00 57.07 55.62 2ysa s TYR 19 Cb 0.04 -1.66 1.58 0.00 -1.10 0.00 0.00 41.96 40.81 2ysa s TYR 19 CO 0.13 0.43 2.08 0.97 -2.51 0.00 0.00 175.55 176.66 2ysa h ILE 20 N 1.76 0.56 0.09 -3.49 2.10 -1.87 0.70 117.51 117.36 2ysa h ILE 20 Ca -0.43 0.00 -0.27 0.00 1.08 0.00 0.00 64.86 65.23 2ysa h ILE 20 Cb 1.25 0.83 -0.01 0.00 -1.09 0.00 0.00 36.82 37.80 2ysa h ILE 20 CO 0.73 0.00 -1.34 0.11 -1.08 0.00 0.00 178.15 176.57 2ysa h LYS 21 N 0.00 0.19 -0.51 2.19 1.57 -2.00 -3.29 116.57 114.71 2ysa h LYS 21 Ca 0.11 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2ysa h LYS 21 Cb 0.54 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2ysa h LYS 21 CO -0.00 1.08 0.00 -1.71 -0.57 0.00 0.00 179.45 178.25 2ysa n ASN 22 N -3.43 4.91 -4.74 0.86 5.15 -0.13 -4.99 115.26 112.88 2ysa n ASN 22 Ca -0.10 -2.77 -0.41 0.00 -0.60 0.00 0.00 54.58 50.69 2ysa n ASN 22 Cb 1.02 -0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 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 0.92 -0.84 0.00 0.13 -1.94 -3.18 132.00 132.12 2ysa h PRO 24 Ca -0.46 -0.49 0.09 0.00 -0.87 0.00 0.00 66.00 64.28 2ysa h PRO 24 Cb 1.22 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 2ysa h PRO 24 CO 0.77 1.14 0.49 1.79 -0.23 0.00 0.00 178.00 181.96 2ysa h THR 25 N 0.75 0.93 0.00 1.56 1.35 -1.96 0.16 112.91 115.70 2ysa h THR 25 Ca 0.06 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2ysa h THR 25 Cb 0.98 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 2ysa h THR 25 CO 0.09 0.15 0.02 -0.55 -0.25 0.00 0.00 175.52 174.99 2ysa h ASN 26 N 0.83 0.00 -0.40 5.36 7.08 -1.92 -1.74 115.58 124.78 2ysa h ASN 26 Ca 0.40 0.00 -0.30 0.00 -3.08 0.00 0.00 56.30 53.32 2ysa h ASN 26 Cb 0.35 0.00 -0.25 0.00 -2.08 0.00 0.00 38.32 36.34 2ysa h ASN 26 CO -0.24 0.00 -0.71 0.61 -2.08 0.00 0.00 177.43 175.01 2ysa n GLY 27 N -1.09 5.52 3.57 9.14 0.00 0.51 -5.04 105.19 117.79 2ysa n GLY 27 Ca -0.03 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.41 4.06 0.05 1.61 1.01 -0.66 -5.03 116.67 114.31 2ysa s ASP 28 Ca 0.44 -0.89 0.20 0.00 0.71 0.00 0.00 52.55 53.01 2ysa s ASP 28 Cb 0.39 -0.55 -0.16 0.00 1.01 0.00 0.00 42.92 43.61 2ysa s ASP 28 CO -0.02 -0.04 0.72 2.29 0.21 0.00 0.00 175.17 178.33 2ysa n LYS 29 N -0.80 0.63 0.02 8.23 0.00 -1.26 -4.26 118.16 120.72 2ysa n LYS 29 Ca -0.05 0.06 -0.18 0.00 -0.00 0.00 0.00 58.31 58.14 2ysa n LYS 29 Cb 0.60 -1.71 -0.12 0.00 -0.00 0.00 0.00 35.03 33.80 2ysa n LYS 29 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2ysa h ASN 30 N 0.00 0.48 -0.67 -5.58 4.21 -1.96 -3.32 115.58 108.75 2ysa h ASN 30 Ca -0.12 -0.83 0.14 0.00 1.21 0.00 0.00 56.30 56.70 2ysa h ASN 30 Cb 1.35 -0.15 -0.12 0.00 -1.12 0.00 0.00 38.32 38.28 2ysa h ASN 30 CO 0.02 1.26 -0.07 0.15 -1.29 0.00 0.00 177.43 177.49 2ysa h PHE 31 N -0.23 -0.18 -0.96 1.19 3.57 -1.84 0.25 116.94 118.75 2ysa h PHE 31 Ca -0.09 0.05 0.20 0.00 3.53 0.00 0.00 57.97 61.66 2ysa h PHE 31 Cb 1.39 0.18 -0.11 0.00 2.79 0.00 0.00 35.95 40.21 2ysa h PHE 31 CO 0.17 -0.24 0.53 0.93 -2.23 0.00 0.00 178.31 177.47 2ysa h GLU 32 N 0.06 0.60 -0.04 1.11 5.08 -1.74 -1.40 114.58 118.25 2ysa h GLU 32 Ca 0.34 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.57 2ysa h GLU 32 Cb 0.55 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.67 2ysa h GLU 32 CO -0.63 0.40 -0.36 0.77 -1.00 0.00 0.00 179.01 178.19 2ysa h SER 33 N 0.62 0.38 0.00 1.42 0.02 -0.74 -3.50 113.55 111.76 2ysa h SER 33 Ca 0.57 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2ysa h SER 33 Cb 0.97 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2ysa h SER 33 CO -0.43 1.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 2ysa n GLY 34 N 0.85 3.24 0.06 -3.77 0.00 0.08 -5.02 105.19 100.63 2ysa n GLY 34 Ca -0.09 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 0.02 -5.54 1.61 0.13 -1.81 -3.45 132.00 122.97 2ysa h PRO 35 Ca 0.00 -0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.55 2ysa h PRO 35 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 2ysa h PRO 35 CO 0.00 0.51 -0.84 0.50 -0.23 0.00 0.00 178.00 177.94 2ysa s ARG 36 N -4.24 1.69 -0.02 0.86 3.00 -1.26 -5.01 118.95 113.96 2ysa s ARG 36 Ca -0.16 -0.64 0.02 0.00 -1.00 0.00 0.00 55.73 53.95 2ysa s ARG 36 Cb 0.02 -1.53 -0.03 0.00 0.00 0.00 0.00 34.95 33.40 2ysa s ARG 36 CO 0.68 0.32 0.01 1.51 0.00 0.00 0.00 175.30 177.82 2ysa n ILE 37 N 2.91 0.17 -1.64 4.11 3.06 -1.26 -5.00 119.36 121.70 2ysa n ILE 37 Ca -0.17 -0.11 -0.47 0.00 -2.50 0.00 0.00 62.75 59.51 2ysa n ILE 37 Cb 0.53 -0.79 -0.04 0.00 0.54 0.00 0.00 39.64 39.88 2ysa n ILE 37 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2ysa n LYS 38 N -2.05 2.15 -0.28 9.51 5.02 -1.26 -4.86 118.16 126.40 2ysa n LYS 38 Ca -0.04 0.75 -0.07 0.00 -2.02 0.00 0.00 58.31 56.93 2ysa n LYS 38 Cb 0.54 -2.78 -0.07 0.00 -0.02 0.00 0.00 35.03 32.70 2ysa n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ysa n LYS 39 N 7.29 -0.29 -3.96 1.97 4.01 -1.26 -4.09 118.16 121.84 2ysa n LYS 39 Ca 0.25 1.12 -0.29 0.00 -0.51 0.00 0.00 58.31 58.89 2ysa n LYS 39 Cb 0.33 -1.65 -0.17 0.00 -0.51 0.00 0.00 35.03 33.03 2ysa n LYS 39 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2ysa s SER 40 N -5.00 2.67 -0.22 4.39 0.15 -1.26 -5.01 113.70 109.41 2ysa s SER 40 Ca -0.08 -0.53 -0.18 0.00 0.70 0.00 0.00 55.95 55.86 2ysa s SER 40 Cb 0.07 -1.03 -0.15 0.00 -1.71 0.00 0.00 66.02 63.20 2ysa s SER 40 CO 0.41 -0.11 -0.04 0.41 1.20 0.00 0.00 173.24 175.10 2ysa n THR 41 N 4.83 1.52 -0.96 6.45 -1.04 -1.26 -5.09 114.28 118.73 2ysa n THR 41 Ca -0.14 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 2ysa n THR 41 Cb 0.49 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 2ysa n THR 41 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ysa n GLY 42 N 1.39 -1.88 3.41 3.41 0.00 -1.26 -5.11 105.19 105.15 2ysa n GLY 42 Ca -0.36 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 2.40 0.00 -0.61 -4.36 -1.26 -5.12 121.20 112.24 2ysa s ILE 43 Ca 0.00 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 2ysa s ILE 43 Cb 0.00 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.66 2ysa s ILE 43 CO 0.00 0.14 0.00 -0.81 0.24 0.00 0.00 174.94 174.51 2ysa n PRO 44 N 1.04 0.16 -0.33 0.37 -0.04 -1.26 -4.80 135.00 130.14 2ysa n PRO 44 Ca -0.17 0.00 0.32 0.00 -0.04 0.00 0.00 63.50 63.61 2ysa n PRO 44 Cb 0.53 0.00 0.59 0.00 -0.04 0.00 0.00 33.50 34.57 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 -0.63 -0.06 -4.03 0.54 1.85 -1.26 -4.58 116.66 108.49 2ysa n ARG 45 Ca 0.00 1.34 -0.10 0.00 -1.00 0.00 0.00 57.85 58.09 2ysa n ARG 45 Cb 0.00 -2.43 -0.07 0.00 -1.05 0.00 0.00 32.46 28.91 2ysa n ARG 45 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2ysa s SER 46 N -4.51 0.02 -0.12 2.89 1.04 -1.26 -5.11 113.70 106.65 2ysa s SER 46 Ca -0.09 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.03 2ysa s SER 46 Cb 0.33 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.87 2ysa s SER 46 CO 0.77 -0.98 2.07 -0.36 0.98 0.00 0.00 173.24 175.72 2ysa s PHE 47 N -4.03 1.29 -0.10 5.02 0.08 -1.26 -4.95 117.98 114.03 2ysa s PHE 47 Ca 0.25 0.15 -0.17 0.00 0.12 0.00 0.00 56.93 57.28 2ysa s PHE 47 Cb 0.03 -4.06 0.04 0.00 -0.57 0.00 0.00 43.02 38.46 2ysa s PHE 47 CO 0.07 -4.56 0.42 1.41 -0.10 0.00 0.00 175.22 172.46 2ysa s MET 48 N 5.48 0.63 -0.13 0.44 1.75 -1.26 -5.04 119.30 121.17 2ysa s MET 48 Ca 0.93 0.29 0.15 0.00 -1.25 0.00 0.00 55.69 55.81 2ysa s MET 48 Cb -0.36 0.30 0.39 0.00 2.84 0.00 0.00 34.83 38.00 2ysa s MET 48 CO 0.37 -0.14 1.29 0.00 -0.65 0.00 0.00 175.02 175.90 2ysa n MET 49 N 2.06 2.45 0.00 4.11 0.00 -1.26 -4.60 117.12 119.88 2ysa n MET 49 Ca -0.17 -2.56 0.01 0.00 0.00 0.00 0.00 57.70 54.98 2ysa n MET 49 Cb 0.57 -1.61 0.07 0.00 0.00 0.00 0.00 33.22 32.25 2ysa n MET 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2ysa n GLU 50 N -0.65 0.80 -4.83 3.17 0.00 -1.26 -4.73 120.64 113.14 2ysa n GLU 50 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 57.02 2ysa n GLU 50 Cb 0.71 -1.05 -0.13 0.00 0.00 0.00 0.00 31.44 30.97 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 -2.00 2.75 -0.17 6.31 -7.23 -1.26 -5.12 120.40 113.68 2ysa s VAL 51 Ca 0.04 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2ysa s VAL 51 Cb 0.02 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 34.88 2ysa s VAL 51 CO 0.03 0.45 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.56 2ysa s LYS 52 N -1.10 2.60 -0.53 4.82 3.01 -1.26 -5.09 119.74 122.20 2ysa s LYS 52 Ca 0.13 -0.72 -0.17 0.00 -1.01 0.00 0.00 55.97 54.21 2ysa s LYS 52 Cb -0.10 -2.35 0.10 0.00 -1.01 0.00 0.00 37.83 34.46 2ysa s LYS 52 CO 0.03 -0.24 0.51 0.16 0.51 0.00 0.00 175.35 176.32 2ysa s ASP 53 N 1.38 6.18 -0.02 2.83 -4.77 -1.26 -4.94 116.67 116.07 2ysa s ASP 53 Ca 0.04 -1.52 -0.25 0.00 -3.30 0.00 0.00 52.55 47.52 2ysa s ASP 53 Cb -0.13 -2.22 -0.20 0.00 -1.09 0.00 0.00 42.92 39.28 2ysa s ASP 53 CO -0.12 -0.84 1.24 1.55 0.70 0.00 0.00 175.17 177.70 2ysa h PRO 54 N 8.91 -0.04 -0.03 2.11 0.13 -2.08 -3.57 132.00 137.42 2ysa h PRO 54 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2ysa h PRO 54 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2ysa h PRO 54 CO 1.00 0.43 0.00 0.09 -0.23 0.00 0.00 178.00 179.28