#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 4.64 -0.07 1.61 0.15 -1.26 -4.93 113.70 113.83 2ysa s SER 2 Ca 0.00 -0.99 0.02 0.00 0.70 0.00 0.00 55.95 55.68 2ysa s SER 2 Cb 0.00 -1.71 -0.06 0.00 -1.71 0.00 0.00 66.02 62.54 2ysa s SER 2 CO 0.00 -0.19 -0.05 -1.20 1.20 0.00 0.00 173.24 173.01 2ysa n SER 3 N 4.68 3.42 -3.17 5.45 7.64 -1.26 -4.89 113.62 125.48 2ysa n SER 3 Ca -0.15 -0.03 -0.22 0.00 1.01 0.00 0.00 58.87 59.47 2ysa n SER 3 Cb 0.46 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 2ysa n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysa n GLY 4 N 3.01 2.29 3.72 0.23 0.00 -1.26 -5.12 105.19 108.06 2ysa n GLY 4 Ca -0.13 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2ysa n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ysa n SER 5 N 1.79 3.83 0.15 1.61 2.88 -1.26 -4.93 113.62 117.69 2ysa n SER 5 Ca 0.22 1.10 -0.09 0.00 -1.33 0.00 0.00 58.87 58.76 2ysa n SER 5 Cb 0.53 -1.56 -0.05 0.00 -0.75 0.00 0.00 64.21 62.38 2ysa n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ysa h SER 6 N 5.93 -0.39 -2.31 -3.46 0.02 -2.05 -3.48 113.55 107.81 2ysa h SER 6 Ca -0.45 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2ysa h SER 6 Cb 1.22 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2ysa h SER 6 CO 0.89 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.25 2ysa n GLY 7 N 0.41 4.87 3.11 -3.77 0.00 -1.26 -5.12 105.19 103.43 2ysa n GLY 7 Ca -0.07 -2.11 -0.23 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.14 -2.34 -3.51 1.61 0.18 -1.26 -5.05 117.16 106.65 2ysa n TYR 8 Ca 0.00 -0.10 -0.13 0.00 1.88 0.00 0.00 57.90 59.54 2ysa n TYR 8 Cb 0.00 -1.42 -0.04 0.00 -0.38 0.00 0.00 39.34 37.49 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 -2.12 0.00 -0.29 -3.48 2.01 -1.26 -4.85 115.64 105.65 2ysa s THR 9 Ca 0.46 0.00 -0.35 0.00 0.31 0.00 0.00 61.69 62.11 2ysa s THR 9 Cb -0.09 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.31 2ysa s THR 9 CO 0.45 0.00 2.11 0.00 -0.69 0.00 0.00 174.62 176.49 2ysa n PHE 11 N 9.17 0.00 -0.01 0.00 7.35 -1.26 -0.13 117.46 132.58 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 0.25 -0.20 -0.00 0.00 0.35 0.00 0.00 39.48 39.88 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 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 2ysa h ARG 12 Cb 0.13 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2ysa h ARG 12 CO 0.00 0.00 -2.16 0.00 -1.51 0.00 0.00 179.97 176.30 2ysa n GLY 14 N 1.61 1.21 3.18 0.00 0.00 0.82 -5.07 105.19 106.93 2ysa n GLY 14 Ca -0.24 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.34 2.18 1.19 1.61 -0.14 -1.24 -4.84 119.74 117.16 2ysa s LYS 15 Ca 0.00 -0.73 -0.19 0.00 -1.36 0.00 0.00 55.97 53.69 2ysa s LYS 15 Cb 0.00 -1.84 0.28 0.00 -1.68 0.00 0.00 37.83 34.59 2ysa s LYS 15 CO 0.00 0.28 1.11 -1.25 -0.76 0.00 0.00 175.35 174.72 2ysa s PRO 16 N 0.03 -1.12 0.00 -1.68 0.04 -1.26 -2.62 135.00 128.39 2ysa s PRO 16 Ca -0.06 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2ysa s PRO 16 Cb -0.13 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2ysa s PRO 16 CO 0.03 -3.65 0.00 0.41 0.04 0.00 0.00 177.00 173.83 2ysa n GLY 17 N -0.96 2.46 3.40 0.56 0.00 -1.26 -4.90 105.19 104.49 2ysa n GLY 17 Ca 0.13 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.08 1.71 0.31 1.61 -3.43 -1.26 -5.11 115.29 108.04 2ysa s HIS 18 Ca 0.00 -1.33 0.10 0.00 -0.80 0.00 0.00 55.06 53.03 2ysa s HIS 18 Cb 0.00 -0.99 -0.06 0.00 -1.43 0.00 0.00 32.58 30.11 2ysa s HIS 18 CO 0.00 -0.43 -0.11 1.52 -2.00 0.00 0.00 174.74 173.72 2ysa s TYR 19 N -3.43 2.41 0.64 0.38 1.13 -1.26 -3.03 117.35 114.19 2ysa s TYR 19 Ca 0.32 -0.40 0.28 0.00 -1.41 0.00 0.00 57.07 55.86 2ysa s TYR 19 Cb 0.04 -1.22 1.50 0.00 -1.10 0.00 0.00 41.96 41.18 2ysa s TYR 19 CO 0.17 0.63 1.87 0.97 -2.51 0.00 0.00 175.55 176.68 2ysa h ILE 20 N 2.08 0.13 0.01 -3.49 2.10 -1.87 0.94 117.51 117.40 2ysa h ILE 20 Ca -0.41 0.00 -0.29 0.00 1.08 0.00 0.00 64.86 65.24 2ysa h ILE 20 Cb 1.25 0.62 -0.05 0.00 -1.09 0.00 0.00 36.82 37.56 2ysa h ILE 20 CO 0.65 0.00 -1.65 0.11 -1.08 0.00 0.00 178.15 176.17 2ysa h LYS 21 N 0.00 0.01 -0.48 2.19 1.57 -2.01 -3.34 116.57 114.52 2ysa h LYS 21 Ca 0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2ysa h LYS 21 Cb 0.91 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2ysa h LYS 21 CO -0.00 0.58 0.00 -1.71 -0.57 0.00 0.00 179.45 177.74 2ysa n ASN 22 N -3.10 4.18 -4.74 0.86 5.15 0.14 -5.00 115.26 112.76 2ysa n ASN 22 Ca -0.16 -2.51 -0.41 0.00 -0.60 0.00 0.00 54.58 50.90 2ysa n ASN 22 Cb 1.04 -0.50 -0.03 0.00 -0.53 0.00 0.00 39.78 39.77 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 4.97 0.54 -1.79 0.00 0.13 -1.94 -3.14 132.00 130.78 2ysa h PRO 24 Ca -0.46 -0.29 0.54 0.00 -0.87 0.00 0.00 66.00 64.93 2ysa h PRO 24 Cb 1.22 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 2ysa h PRO 24 CO 0.76 0.87 1.25 1.79 -0.23 0.00 0.00 178.00 182.44 2ysa h THR 25 N 0.24 0.02 -1.02 1.56 1.35 -1.96 -3.39 112.91 109.70 2ysa h THR 25 Ca 0.04 -0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.38 2ysa h THR 25 Cb 0.77 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 67.17 2ysa h THR 25 CO 0.05 0.00 1.63 0.59 -0.25 0.00 0.00 175.52 177.55 2ysa n ASN 26 N -4.19 1.68 -0.16 5.36 3.02 -1.19 -0.43 115.26 119.37 2ysa n ASN 26 Ca 0.43 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 2ysa n ASN 26 Cb 1.87 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 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 6.26 1.05 3.09 7.41 0.00 -1.26 -5.08 105.19 116.66 2ysa n GLY 27 Ca 0.47 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.52 3.73 0.55 1.61 -1.08 0.43 -4.98 116.67 114.40 2ysa s ASP 28 Ca 0.00 -0.99 0.29 0.00 -0.52 0.00 0.00 52.55 51.33 2ysa s ASP 28 Cb 0.00 -1.51 1.45 0.00 -1.46 0.00 0.00 42.92 41.41 2ysa s ASP 28 CO 0.00 -0.09 1.93 0.07 0.52 0.00 0.00 175.17 177.60 2ysa h LYS 29 N 7.86 0.00 -1.00 4.34 2.10 -1.97 0.20 116.57 128.10 2ysa h LYS 29 Ca -0.34 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.43 2ysa h LYS 29 Cb 1.09 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.34 2ysa h LYS 29 CO 0.56 0.00 0.63 -0.91 -2.00 0.00 0.00 179.45 177.73 2ysa h ASN 30 N 0.00 0.94 -0.66 7.07 4.21 -1.94 -3.43 115.58 121.76 2ysa h ASN 30 Ca 0.32 0.04 -0.56 0.00 1.21 0.00 0.00 56.30 57.32 2ysa h ASN 30 Cb 1.35 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 38.38 2ysa h ASN 30 CO -0.00 0.51 -0.26 -0.36 -1.29 0.00 0.00 177.43 176.03 2ysa s PHE 31 N -5.97 1.62 -1.31 1.19 0.08 0.06 -4.69 117.98 108.96 2ysa s PHE 31 Ca -0.12 -0.80 -0.08 0.00 0.12 0.00 0.00 56.93 56.06 2ysa s PHE 31 Cb 0.22 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2ysa s PHE 31 CO 0.81 -0.63 1.14 0.39 -0.10 0.00 0.00 175.22 176.83 2ysa n GLU 32 N -1.87 -7.67 -0.05 0.44 1.02 -1.26 -4.79 120.64 106.45 2ysa n GLU 32 Ca 0.03 0.82 -0.01 0.00 -0.02 0.00 0.00 57.16 57.97 2ysa n GLU 32 Cb 0.63 -5.82 -0.00 0.00 -0.02 0.00 0.00 31.44 26.23 2ysa n GLU 32 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ysa h SER 33 N -2.56 0.00 0.00 1.62 0.87 -1.83 -3.51 113.55 108.14 2ysa h SER 33 Ca -0.56 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2ysa h SER 33 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2ysa h SER 33 CO 0.54 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.95 2ysa n GLY 34 N 1.76 0.44 0.20 5.77 0.00 -1.26 -4.86 105.19 107.24 2ysa n GLY 34 Ca -0.02 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 -3.82 1.61 0.13 -2.06 -3.42 132.00 124.44 2ysa h PRO 35 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.71 2ysa h PRO 35 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 2ysa h PRO 35 CO 0.00 0.34 -0.77 0.50 -0.23 0.00 0.00 178.00 177.84 2ysa s ARG 36 N -3.85 0.66 0.12 0.86 3.52 -1.26 -5.15 118.95 113.85 2ysa s ARG 36 Ca -0.01 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.64 2ysa s ARG 36 Cb 0.12 -0.88 -0.04 0.00 -1.56 0.00 0.00 34.95 32.60 2ysa s ARG 36 CO 0.68 -0.21 0.21 -1.50 -0.81 0.00 0.00 175.30 173.67 2ysa s ILE 37 N 1.51 5.06 -0.07 4.11 2.07 -1.26 -4.95 121.20 127.67 2ysa s ILE 37 Ca -0.02 -0.70 -0.17 0.00 -1.41 0.00 0.00 60.65 58.35 2ysa s ILE 37 Cb -0.13 -3.55 -0.30 0.00 0.13 0.00 0.00 42.46 38.62 2ysa s ILE 37 CO -0.03 -0.01 0.70 0.07 -1.91 0.00 0.00 174.94 173.76 2ysa h LYS 38 N 2.59 0.31 -6.34 3.50 5.09 -1.98 -3.45 116.57 116.29 2ysa h LYS 38 Ca -0.47 -0.53 -0.55 0.00 0.09 0.00 0.00 60.65 59.19 2ysa h LYS 38 Cb 1.18 0.20 -0.02 0.00 0.10 0.00 0.00 32.23 33.69 2ysa h LYS 38 CO 0.69 1.26 0.55 0.21 -2.09 0.00 0.00 179.45 180.07 2ysa s LYS 39 N -2.49 4.44 -0.05 0.07 2.20 -1.26 -5.04 119.74 117.61 2ysa s LYS 39 Ca -0.17 1.53 -0.03 0.00 -0.36 0.00 0.00 55.97 56.94 2ysa s LYS 39 Cb 0.04 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 2ysa s LYS 39 CO 0.81 -0.27 0.12 0.45 -0.36 0.00 0.00 175.35 176.10 2ysa s SER 40 N 1.17 6.07 0.48 1.43 0.15 -1.26 -5.08 113.70 116.65 2ysa s SER 40 Ca 0.53 0.31 -0.22 0.00 0.70 0.00 0.00 55.95 57.26 2ysa s SER 40 Cb -0.22 -1.87 -0.07 0.00 -1.71 0.00 0.00 66.02 62.15 2ysa s SER 40 CO 0.23 0.32 1.20 0.42 1.20 0.00 0.00 173.24 176.62 2ysa s THR 41 N -1.15 2.89 0.00 6.45 -4.23 -1.26 -5.01 115.64 113.32 2ysa s THR 41 Ca 0.21 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2ysa s THR 41 Cb -0.12 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.39 2ysa s THR 41 CO 0.11 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2ysa n GLY 42 N 0.49 5.19 3.75 3.99 0.00 -1.26 -5.17 105.19 112.18 2ysa n GLY 42 Ca 0.08 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 1.07 4.32 0.74 -0.61 -4.36 -1.26 -5.11 121.20 115.99 2ysa s ILE 43 Ca 0.00 -0.99 -0.12 0.00 -0.26 0.00 0.00 60.65 59.29 2ysa s ILE 43 Cb 0.00 -3.13 0.04 0.00 1.25 0.00 0.00 42.46 40.62 2ysa s ILE 43 CO 0.00 0.02 1.10 -2.16 0.24 0.00 0.00 174.94 174.14 2ysa s PRO 44 N -2.66 2.42 -0.82 0.37 0.04 -1.26 -3.33 135.00 129.76 2ysa s PRO 44 Ca 0.29 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 2ysa s PRO 44 Cb -0.11 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2ysa s PRO 44 CO 0.21 -1.52 0.16 2.89 0.04 0.00 0.00 177.00 178.78 2ysa n ARG 45 N -3.17 -2.68 -0.62 4.56 1.85 -1.26 -4.90 116.66 110.45 2ysa n ARG 45 Ca 0.09 0.34 -0.30 0.00 -1.00 0.00 0.00 57.85 56.99 2ysa n ARG 45 Cb 0.53 -4.94 0.27 0.00 -1.05 0.00 0.00 32.46 27.27 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 -2.27 -0.25 -0.00 2.89 1.04 -1.21 -4.88 113.70 109.02 2ysa s SER 46 Ca 0.15 0.85 0.03 0.00 0.48 0.00 0.00 55.95 57.46 2ysa s SER 46 Cb -0.08 -1.22 0.09 0.00 0.10 0.00 0.00 66.02 64.91 2ysa s SER 46 CO 0.19 -4.86 1.03 0.49 0.98 0.00 0.00 173.24 171.07 2ysa n PHE 47 N -5.29 0.15 0.28 5.02 3.01 -1.26 -3.98 117.46 115.39 2ysa n PHE 47 Ca 0.12 -0.07 0.18 0.00 1.01 0.00 0.00 57.45 58.69 2ysa n PHE 47 Cb 0.59 -0.02 0.95 0.00 -0.01 0.00 0.00 39.48 41.00 2ysa n PHE 47 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 2ysa h MET 48 N 0.59 0.00 -4.46 -1.08 4.05 -1.96 -3.35 114.93 108.71 2ysa h MET 48 Ca 0.00 0.00 -0.73 0.00 -0.28 0.00 0.00 59.70 58.69 2ysa h MET 48 Cb 0.19 0.00 -0.21 0.00 -0.80 0.00 0.00 31.60 30.78 2ysa h MET 48 CO 0.01 0.00 -0.19 1.41 0.23 0.00 0.00 176.91 178.37 2ysa s MET 49 N -4.35 3.02 -0.14 0.39 -2.45 -1.26 -4.89 119.30 109.62 2ysa s MET 49 Ca -0.04 -1.29 0.16 0.00 -1.25 0.00 0.00 55.69 53.26 2ysa s MET 49 Cb 0.13 -4.16 0.65 0.00 1.25 0.00 0.00 34.83 32.70 2ysa s MET 49 CO 0.44 -1.16 1.57 -1.91 1.05 0.00 0.00 175.02 175.00 2ysa n GLU 50 N 5.53 3.71 -5.30 4.11 0.00 -1.26 -4.94 120.64 122.49 2ysa n GLU 50 Ca -0.11 -2.84 -0.31 0.00 0.00 0.00 0.00 57.16 53.89 2ysa n GLU 50 Cb 0.43 -1.89 -0.16 0.00 0.00 0.00 0.00 31.44 29.82 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 -2.18 2.07 0.00 6.31 -7.23 -1.26 -5.13 120.40 112.98 2ysa s VAL 51 Ca 0.47 -1.10 -0.16 0.00 -1.81 0.00 0.00 61.98 59.37 2ysa s VAL 51 Cb 0.33 -1.71 0.03 0.00 0.56 0.00 0.00 36.38 35.58 2ysa s VAL 51 CO 0.18 0.58 0.35 -0.54 -0.31 0.00 0.00 175.10 175.36 2ysa s LYS 52 N -0.56 0.76 0.20 4.82 1.02 -1.26 -5.15 119.74 119.57 2ysa s LYS 52 Ca 0.08 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.53 2ysa s LYS 52 Cb -0.10 0.34 -0.08 0.00 -0.52 0.00 0.00 37.83 37.47 2ysa s LYS 52 CO -0.00 -0.23 1.11 0.34 -0.92 0.00 0.00 175.35 175.64 2ysa s ASP 53 N -1.56 7.26 -0.02 2.83 2.15 -1.26 -4.97 116.67 121.09 2ysa s ASP 53 Ca -0.10 2.13 -0.25 0.00 0.43 0.00 0.00 52.55 54.75 2ysa s ASP 53 Cb -0.03 -2.61 -0.20 0.00 -0.30 0.00 0.00 42.92 39.78 2ysa s ASP 53 CO 0.02 -0.21 1.23 1.55 -0.17 0.00 0.00 175.17 177.59 2ysa h PRO 54 N 4.87 -0.05 0.00 4.34 0.13 -2.07 -3.57 132.00 135.66 2ysa h PRO 54 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2ysa h PRO 54 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ysa h PRO 54 CO 0.72 0.42 0.00 0.27 -0.23 0.00 0.00 178.00 179.17