#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 7.00 -0.21 1.61 0.01 -1.26 -4.96 113.70 115.90 2ysa s SER 2 Ca 0.00 2.25 -0.17 0.00 1.31 0.00 0.00 55.95 59.34 2ysa s SER 2 Cb 0.00 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.50 2ysa s SER 2 CO 0.00 -0.47 -0.02 -1.20 0.41 0.00 0.00 173.24 171.96 2ysa n SER 3 N 2.98 1.87 -4.06 2.44 7.64 -1.26 -4.98 113.62 118.25 2ysa n SER 3 Ca 0.07 0.44 -0.31 0.00 1.01 0.00 0.00 58.87 60.08 2ysa n SER 3 Cb 0.44 -0.90 0.12 0.00 -1.01 0.00 0.00 64.21 62.86 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 1.44 -2.60 3.64 0.23 0.00 -1.26 -4.79 105.19 101.86 2ysa n GLY 4 Ca -0.30 -0.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 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 0.13 2.21 -0.01 1.61 7.64 -1.26 -4.91 113.62 119.04 2ysa n SER 5 Ca 0.01 1.16 -0.17 0.00 1.01 0.00 0.00 58.87 60.88 2ysa n SER 5 Cb 0.60 -1.37 -0.10 0.00 -1.01 0.00 0.00 64.21 62.33 2ysa n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2ysa h SER 6 N 3.25 0.67 0.00 6.43 0.02 -1.94 -3.44 113.55 118.54 2ysa h SER 6 Ca -0.44 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 2ysa h SER 6 Cb 1.30 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2ysa h SER 6 CO 0.69 1.27 0.00 0.61 -1.14 0.00 0.00 176.83 178.26 2ysa n GLY 7 N 0.89 -2.75 3.79 -3.77 0.00 -1.26 -5.09 105.19 97.01 2ysa n GLY 7 Ca -0.09 -0.51 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -0.17 -0.01 1.61 -0.85 -1.26 -5.19 117.35 111.49 2ysa s TYR 8 Ca 0.00 -0.21 -0.15 0.00 -0.52 0.00 0.00 57.07 56.19 2ysa s TYR 8 Cb 0.00 0.67 0.02 0.00 0.38 0.00 0.00 41.96 43.03 2ysa s TYR 8 CO 0.00 -1.01 0.33 0.99 -1.52 0.00 0.00 175.55 174.34 2ysa s THR 9 N -3.57 0.06 -0.24 -3.49 2.01 -1.26 -4.76 115.64 104.38 2ysa s THR 9 Ca 0.11 -0.48 -0.35 0.00 0.31 0.00 0.00 61.69 61.29 2ysa s THR 9 Cb -0.03 -0.67 -0.11 0.00 0.01 0.00 0.00 72.50 71.69 2ysa s THR 9 CO 0.04 -0.26 2.02 0.00 -0.69 0.00 0.00 174.62 175.73 2ysa n PHE 11 N 8.30 0.00 -0.00 0.00 7.35 -1.26 -0.84 117.46 131.01 2ysa n PHE 11 Ca 0.32 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 57.00 2ysa n PHE 11 Cb 0.26 -0.21 -0.00 0.00 0.35 0.00 0.00 39.48 39.87 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 -0.02 0.01 -4.13 2.43 -1.90 -3.42 114.38 107.34 2ysa h ARG 12 Ca 0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 2ysa h ARG 12 Cb 0.18 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 2ysa h ARG 12 CO 0.00 -0.02 -2.29 0.00 -1.51 0.00 0.00 179.97 176.16 2ysa n GLY 14 N 1.86 0.98 3.09 0.00 0.00 -0.02 -5.09 105.19 106.01 2ysa n GLY 14 Ca -0.34 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 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 0.05 1.50 0.96 1.61 -0.14 -1.23 -4.88 119.74 117.60 2ysa s LYS 15 Ca 0.00 -0.50 -0.16 0.00 -1.36 0.00 0.00 55.97 53.95 2ysa s LYS 15 Cb 0.00 -1.33 0.24 0.00 -1.68 0.00 0.00 37.83 35.06 2ysa s LYS 15 CO 0.00 0.20 0.85 -0.35 -0.76 0.00 0.00 175.35 175.29 2ysa n PRO 16 N 3.20 -2.68 0.00 -1.68 -0.04 -1.26 -2.51 135.00 130.03 2ysa n PRO 16 Ca -0.18 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 2ysa n PRO 16 Cb 0.53 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -3.18 2.01 3.35 0.55 0.00 -1.26 -4.87 105.19 101.79 2ysa n GLY 17 Ca 0.12 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.43 1.60 0.47 1.61 -3.43 -1.26 -5.10 115.29 108.76 2ysa s HIS 18 Ca 0.00 -1.25 0.05 0.00 -0.80 0.00 0.00 55.06 53.06 2ysa s HIS 18 Cb 0.00 -0.92 -0.02 0.00 -1.43 0.00 0.00 32.58 30.20 2ysa s HIS 18 CO 0.00 -0.39 0.14 1.52 -2.00 0.00 0.00 174.74 174.02 2ysa s TYR 19 N -3.63 2.15 0.53 0.38 1.13 -1.26 -2.53 117.35 114.11 2ysa s TYR 19 Ca 0.36 -0.77 0.25 0.00 -1.41 0.00 0.00 57.07 55.50 2ysa s TYR 19 Cb 0.06 -1.81 1.56 0.00 -1.10 0.00 0.00 41.96 40.67 2ysa s TYR 19 CO 0.15 0.10 2.17 0.97 -2.51 0.00 0.00 175.55 176.44 2ysa h ILE 20 N 1.31 0.70 0.00 -3.49 2.10 -1.88 0.55 117.51 116.80 2ysa h ILE 20 Ca -0.42 -0.17 -0.23 0.00 1.08 0.00 0.00 64.86 65.12 2ysa h ILE 20 Cb 1.28 1.10 -0.03 0.00 -1.09 0.00 0.00 36.82 38.08 2ysa h ILE 20 CO 0.70 0.04 -1.13 0.11 -1.08 0.00 0.00 178.15 176.79 2ysa h LYS 21 N 0.00 0.00 -0.38 2.19 1.79 -2.01 -3.28 116.57 114.89 2ysa h LYS 21 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2ysa h LYS 21 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2ysa h LYS 21 CO 0.01 0.91 0.00 -1.71 -1.08 0.00 0.00 179.45 177.57 2ysa n ASN 22 N -3.30 4.16 -4.74 0.86 5.15 -0.57 -5.01 115.26 111.81 2ysa n ASN 22 Ca -0.03 -2.77 -0.41 0.00 -0.60 0.00 0.00 54.58 50.77 2ysa n ASN 22 Cb 0.96 -0.52 -0.03 0.00 -0.53 0.00 0.00 39.78 39.66 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 5.06 0.61 -1.10 0.00 0.13 -1.94 -3.19 132.00 131.57 2ysa h PRO 24 Ca -0.46 -0.32 0.38 0.00 -0.87 0.00 0.00 66.00 64.74 2ysa h PRO 24 Cb 1.22 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 2ysa h PRO 24 CO 0.76 0.92 0.70 0.25 -0.23 0.00 0.00 178.00 180.41 2ysa n THR 25 N -4.34 -0.21 -1.50 1.56 -2.24 -1.26 -4.25 114.28 102.04 2ysa n THR 25 Ca -0.04 1.47 -0.47 0.00 -2.27 0.00 0.00 64.05 62.74 2ysa n THR 25 Cb 0.44 -2.40 -0.06 0.00 -2.10 0.00 0.00 70.33 66.21 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 -4.34 2.32 -0.43 3.42 3.02 -1.21 -1.34 115.26 116.70 2ysa n ASN 26 Ca 0.33 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 2ysa n ASN 26 Cb 1.26 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 6.30 0.85 4.01 7.41 0.00 -1.26 -5.09 105.19 117.40 2ysa n GLY 27 Ca 0.39 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.61 5.61 -0.09 1.61 2.15 -0.45 -5.05 116.67 117.84 2ysa s ASP 28 Ca 0.00 -0.38 0.06 0.00 0.43 0.00 0.00 52.55 52.66 2ysa s ASP 28 Cb 0.00 -0.67 -0.10 0.00 -0.30 0.00 0.00 42.92 41.85 2ysa s ASP 28 CO 0.00 -0.81 0.01 0.29 -0.17 0.00 0.00 175.17 174.49 2ysa n LYS 29 N -1.90 2.14 -0.08 4.34 5.02 -1.26 -4.81 118.16 121.61 2ysa n LYS 29 Ca 0.08 0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 2ysa n LYS 29 Cb 0.59 -1.22 -0.03 0.00 -0.02 0.00 0.00 35.03 34.35 2ysa n LYS 29 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ysa n ASN 30 N -2.42 1.85 -4.61 4.39 3.02 -1.26 -4.86 115.26 111.37 2ysa n ASN 30 Ca -0.15 0.54 -0.43 0.00 -0.03 0.00 0.00 54.58 54.51 2ysa n ASN 30 Cb 0.77 -0.85 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2ysa n ASN 30 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2ysa s PHE 31 N -2.41 1.41 -0.15 3.10 5.36 -1.26 -4.96 117.98 119.07 2ysa s PHE 31 Ca -0.20 0.38 -0.00 0.00 -0.96 0.00 0.00 56.93 56.15 2ysa s PHE 31 Cb 0.03 -4.02 0.03 0.00 -0.34 0.00 0.00 43.02 38.72 2ysa s PHE 31 CO 0.30 -4.01 -0.08 -1.83 -1.46 0.00 0.00 175.22 168.14 2ysa s GLU 32 N 5.69 1.64 0.45 10.12 -1.05 -1.26 -4.69 118.70 129.60 2ysa s GLU 32 Ca 0.91 -0.45 -0.24 0.00 -0.15 0.00 0.00 54.97 55.04 2ysa s GLU 32 Cb -0.32 -1.90 -0.08 0.00 -0.44 0.00 0.00 34.13 31.40 2ysa s GLU 32 CO 0.35 -0.34 1.22 -1.54 0.95 0.00 0.00 175.26 175.90 2ysa s SER 33 N 1.62 6.16 -0.08 0.83 1.04 -1.26 -5.04 113.70 116.97 2ysa s SER 33 Ca 0.03 2.45 0.02 0.00 0.48 0.00 0.00 55.95 58.93 2ysa s SER 33 Cb -0.14 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.38 2ysa s SER 33 CO -0.08 -0.94 -0.12 -0.83 0.98 0.00 0.00 173.24 172.25 2ysa s GLY 34 N -1.12 0.84 0.81 7.32 0.00 -1.26 -5.14 107.32 108.77 2ysa s GLY 34 Ca 0.62 -0.49 -0.11 0.00 0.00 0.00 0.00 44.72 44.74 2ysa s GLY 34 CO 0.40 0.26 1.09 2.56 0.00 0.00 0.00 173.10 177.42 2ysa s PRO 35 N 0.91 1.99 0.27 2.90 0.04 -1.26 -5.08 135.00 134.77 2ysa s PRO 35 Ca -0.10 1.08 -0.09 0.00 0.04 0.00 0.00 61.00 61.92 2ysa s PRO 35 Cb -0.15 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 2ysa s PRO 35 CO 0.01 -1.80 0.45 -0.98 0.04 0.00 0.00 177.00 174.71 2ysa s ARG 36 N -4.91 1.61 -0.02 4.56 1.70 -1.26 -5.06 118.95 115.57 2ysa s ARG 36 Ca 0.62 -1.41 0.16 0.00 -0.47 0.00 0.00 55.73 54.63 2ysa s ARG 36 Cb -0.17 0.45 -0.19 0.00 -0.57 0.00 0.00 34.95 34.46 2ysa s ARG 36 CO 0.56 -0.66 0.63 1.51 -1.08 0.00 0.00 175.30 176.26 2ysa n ILE 37 N -0.41 1.25 -2.60 4.99 0.13 -1.26 -4.86 119.36 116.60 2ysa n ILE 37 Ca -0.01 -0.73 -0.43 0.00 -1.10 0.00 0.00 62.75 60.48 2ysa n ILE 37 Cb 0.62 -0.71 -0.02 0.00 -0.84 0.00 0.00 39.64 38.69 2ysa n ILE 37 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 2ysa s LYS 38 N -2.81 4.30 0.30 9.51 2.20 -1.26 -5.02 119.74 126.96 2ysa s LYS 38 Ca -0.05 1.46 0.04 0.00 -0.36 0.00 0.00 55.97 57.06 2ysa s LYS 38 Cb 0.08 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2ysa s LYS 38 CO 0.82 -0.56 0.20 0.15 -0.36 0.00 0.00 175.35 175.60 2ysa s LYS 39 N 2.92 1.60 0.81 4.03 -0.14 -1.26 -5.15 119.74 122.55 2ysa s LYS 39 Ca 0.48 -1.91 -0.13 0.00 -1.36 0.00 0.00 55.97 53.05 2ysa s LYS 39 Cb -0.18 0.13 0.08 0.00 -1.68 0.00 0.00 37.83 36.18 2ysa s LYS 39 CO 0.12 -0.52 1.21 -1.12 -0.76 0.00 0.00 175.35 174.28 2ysa s SER 40 N -3.34 3.58 0.16 2.83 0.01 -1.26 -4.90 113.70 110.78 2ysa s SER 40 Ca 0.38 2.39 -0.27 0.00 1.31 0.00 0.00 55.95 59.75 2ysa s SER 40 Cb 0.04 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.69 2ysa s SER 40 CO 0.20 -2.68 1.56 0.74 0.41 0.00 0.00 173.24 173.48 2ysa h THR 41 N -0.88 0.06 -6.25 1.44 2.02 -2.04 -3.46 112.91 103.80 2ysa h THR 41 Ca -0.46 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 2ysa h THR 41 Cb 1.30 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2ysa h THR 41 CO 0.46 0.00 -1.02 0.61 0.37 0.00 0.00 175.52 175.94 2ysa n GLY 42 N -1.39 -0.46 3.56 2.16 0.00 -1.26 -4.98 105.19 102.81 2ysa n GLY 42 Ca 0.01 0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.17 3.25 1.02 -0.61 -4.36 -1.26 -5.13 121.20 112.94 2ysa s ILE 43 Ca 0.06 -1.31 -0.13 0.00 -0.26 0.00 0.00 60.65 59.02 2ysa s ILE 43 Cb -0.01 -2.51 0.20 0.00 1.25 0.00 0.00 42.46 41.39 2ysa s ILE 43 CO 0.23 0.12 1.09 -2.16 0.24 0.00 0.00 174.94 174.46 2ysa s PRO 44 N -2.17 0.25 -1.37 0.37 0.04 -1.26 -4.01 135.00 126.86 2ysa s PRO 44 Ca 0.20 0.46 -0.02 0.00 0.04 0.00 0.00 61.00 61.69 2ysa s PRO 44 Cb -0.11 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2ysa s PRO 44 CO 0.13 -2.84 0.32 0.54 0.04 0.00 0.00 177.00 175.18 2ysa n ARG 45 N -4.24 -3.06 -0.11 4.56 5.12 -1.26 -4.92 116.66 112.75 2ysa n ARG 45 Ca 0.05 0.79 -0.06 0.00 -1.93 0.00 0.00 57.85 56.70 2ysa n ARG 45 Cb 0.57 -5.30 -0.05 0.00 -1.16 0.00 0.00 32.46 26.53 2ysa n ARG 45 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2ysa h SER 46 N -0.72 -0.98 -2.36 0.55 0.02 -2.03 -3.41 113.55 104.62 2ysa h SER 46 Ca -0.43 0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.48 2ysa h SER 46 Cb 1.30 0.41 -0.31 0.00 0.14 0.00 0.00 62.40 63.95 2ysa h SER 46 CO 0.48 -0.17 -0.49 -0.36 -1.14 0.00 0.00 176.83 175.14 2ysa s PHE 47 N -4.29 -0.64 0.06 3.45 0.08 -1.26 -5.15 117.98 110.22 2ysa s PHE 47 Ca -0.07 0.93 -0.08 0.00 0.12 0.00 0.00 56.93 57.83 2ysa s PHE 47 Cb 0.05 0.01 -0.00 0.00 -0.57 0.00 0.00 43.02 42.51 2ysa s PHE 47 CO 0.31 -0.56 0.18 1.41 -0.10 0.00 0.00 175.22 176.45 2ysa s MET 48 N 2.50 0.73 -1.16 0.44 1.75 -1.26 -4.91 119.30 117.39 2ysa s MET 48 Ca 0.06 -0.78 -0.05 0.00 -1.25 0.00 0.00 55.69 53.67 2ysa s MET 48 Cb -0.14 0.30 0.01 0.00 2.84 0.00 0.00 34.83 37.84 2ysa s MET 48 CO -0.13 -0.22 1.00 -1.33 -0.65 0.00 0.00 175.02 173.69 2ysa n MET 49 N 0.40 -6.68 -0.03 4.11 2.81 -1.26 -4.87 117.12 111.61 2ysa n MET 49 Ca -0.17 0.75 0.01 0.00 -1.81 0.00 0.00 57.70 56.48 2ysa n MET 49 Cb 0.60 -5.54 0.02 0.00 -0.71 0.00 0.00 33.22 27.59 2ysa n MET 49 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2ysa n GLU 50 N -4.25 1.12 -4.44 0.03 -0.58 -1.26 -4.81 120.64 106.45 2ysa n GLU 50 Ca -0.10 -0.14 -0.21 0.00 -0.42 0.00 0.00 57.16 56.28 2ysa n GLU 50 Cb 0.59 -1.19 -0.10 0.00 -0.57 0.00 0.00 31.44 30.18 2ysa n GLU 50 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2ysa s VAL 51 N -1.68 1.07 -1.29 2.62 -7.23 -1.26 -4.85 120.40 107.78 2ysa s VAL 51 Ca 0.03 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 2ysa s VAL 51 Cb 0.02 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 34.22 2ysa s VAL 51 CO 0.01 0.00 0.97 0.29 -0.31 0.00 0.00 175.10 176.07 2ysa n LYS 52 N -0.68 -6.45 -0.08 4.82 4.01 -1.26 -4.91 118.16 113.62 2ysa n LYS 52 Ca -0.02 0.77 -0.09 0.00 -0.51 0.00 0.00 58.31 58.46 2ysa n LYS 52 Cb 0.66 -5.68 -0.02 0.00 -0.51 0.00 0.00 35.03 29.48 2ysa n LYS 52 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 2ysa h ASP 53 N -2.10 0.34 0.00 4.39 3.58 -1.90 -1.52 116.42 119.21 2ysa h ASP 53 Ca -0.59 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2ysa h ASP 53 Cb 1.35 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2ysa h ASP 53 CO 0.54 0.25 0.00 -0.81 -2.88 0.00 0.00 179.24 176.34 2ysa n PRO 54 N -4.88 0.49 0.00 0.28 -0.04 -1.26 -5.24 135.00 124.34 2ysa n PRO 54 Ca -0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 2ysa n PRO 54 Cb 0.03 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.22 2ysa n PRO 54 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75