#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 1.76 -0.38 1.61 1.04 -1.26 -5.13 113.70 111.34 2ysa s SER 2 Ca 0.00 -1.64 -0.09 0.00 0.48 0.00 0.00 55.95 54.70 2ysa s SER 2 Cb 0.00 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.64 2ysa s SER 2 CO 0.00 -0.95 0.19 -0.44 0.98 0.00 0.00 173.24 173.02 2ysa s SER 3 N -3.41 5.57 0.00 7.02 0.01 -1.26 -4.69 113.70 116.94 2ysa s SER 3 Ca 0.35 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2ysa s SER 3 Cb 0.04 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2ysa s SER 3 CO 0.20 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2ysa n GLY 4 N 4.91 0.91 2.67 3.44 0.00 -1.26 -5.06 105.19 110.80 2ysa n GLY 4 Ca -0.11 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 2ysa n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysa s SER 5 N -0.32 2.10 0.88 1.61 0.01 -1.26 -5.15 113.70 111.56 2ysa s SER 5 Ca 0.00 -0.60 -0.12 0.00 1.31 0.00 0.00 55.95 56.54 2ysa s SER 5 Cb 0.00 0.08 0.17 0.00 0.21 0.00 0.00 66.02 66.48 2ysa s SER 5 CO 0.00 -0.36 1.22 -0.94 0.41 0.00 0.00 173.24 173.57 2ysa s SER 6 N 2.23 3.56 0.00 2.44 1.04 -1.26 -4.91 113.70 116.81 2ysa s SER 6 Ca 0.06 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2ysa s SER 6 Cb -0.16 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.65 2ysa s SER 6 CO -0.18 -2.43 0.00 0.61 0.98 0.00 0.00 173.24 172.22 2ysa n GLY 7 N -3.48 -0.01 3.77 7.32 0.00 -1.26 -5.14 105.19 106.39 2ysa n GLY 7 Ca 0.14 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.19 0.05 1.61 -0.85 -1.26 -5.14 117.35 111.56 2ysa s TYR 8 Ca 0.00 -0.17 -0.18 0.00 -0.52 0.00 0.00 57.07 56.20 2ysa s TYR 8 Cb 0.00 0.66 0.04 0.00 0.38 0.00 0.00 41.96 43.04 2ysa s TYR 8 CO 0.00 -0.99 0.42 0.99 -1.52 0.00 0.00 175.55 174.45 2ysa s THR 9 N -3.57 0.05 -0.27 -3.49 2.01 -1.26 -4.82 115.64 104.29 2ysa s THR 9 Ca 0.11 -0.45 -0.32 0.00 0.31 0.00 0.00 61.69 61.34 2ysa s THR 9 Cb -0.03 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.43 2ysa s THR 9 CO 0.03 -0.25 2.17 0.00 -0.69 0.00 0.00 174.62 175.89 2ysa n PHE 11 N 10.27 0.00 -0.05 0.00 7.35 -1.26 -0.65 117.46 133.12 2ysa n PHE 11 Ca 0.35 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 57.02 2ysa n PHE 11 Cb 0.32 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.14 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 -3.43 114.38 107.36 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 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 2ysa h ARG 12 CO 0.00 0.00 -2.15 0.00 -1.51 0.00 0.00 179.97 176.31 2ysa n GLY 14 N 2.09 1.31 3.13 0.00 0.00 0.18 -5.08 105.19 106.81 2ysa n GLY 14 Ca -0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.27 1.93 0.79 1.61 -0.14 -1.24 -4.87 119.74 117.55 2ysa s LYS 15 Ca 0.00 -0.62 -0.13 0.00 -1.36 0.00 0.00 55.97 53.86 2ysa s LYS 15 Cb 0.00 -1.63 0.20 0.00 -1.68 0.00 0.00 37.83 34.72 2ysa s LYS 15 CO 0.00 0.21 0.70 -0.35 -0.76 0.00 0.00 175.35 175.15 2ysa n PRO 16 N 3.28 -2.40 0.00 -1.68 -0.04 -1.26 -2.53 135.00 130.36 2ysa n PRO 16 Ca -0.19 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 2ysa n PRO 16 Cb 0.53 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 -2.20 1.88 3.44 0.55 0.00 -1.26 -4.86 105.19 102.73 2ysa n GLY 17 Ca 0.10 -0.18 -0.22 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 -0.44 1.75 0.35 1.61 -3.43 -1.26 -5.11 115.29 108.77 2ysa s HIS 18 Ca 0.00 -1.29 0.09 0.00 -0.80 0.00 0.00 55.06 53.06 2ysa s HIS 18 Cb 0.00 -1.05 -0.06 0.00 -1.43 0.00 0.00 32.58 30.04 2ysa s HIS 18 CO 0.00 -0.36 -0.00 1.52 -2.00 0.00 0.00 174.74 173.90 2ysa s TYR 19 N -3.37 2.51 0.30 0.38 1.13 -1.26 -2.90 117.35 114.15 2ysa s TYR 19 Ca 0.30 -0.48 0.19 0.00 -1.41 0.00 0.00 57.07 55.66 2ysa s TYR 19 Cb 0.04 -1.52 1.01 0.00 -1.10 0.00 0.00 41.96 40.39 2ysa s TYR 19 CO 0.16 0.48 1.51 0.97 -2.51 0.00 0.00 175.55 176.16 2ysa h ILE 20 N 1.83 0.00 0.05 -3.49 2.10 -1.88 0.52 117.51 116.63 2ysa h ILE 20 Ca -0.43 0.00 -0.34 0.00 1.08 0.00 0.00 64.86 65.18 2ysa h ILE 20 Cb 1.25 0.41 -0.04 0.00 -1.09 0.00 0.00 36.82 37.35 2ysa h ILE 20 CO 0.69 0.00 -1.98 0.29 -1.08 0.00 0.00 178.15 176.07 2ysa n LYS 21 N -2.39 0.69 -0.34 2.19 4.76 -1.26 -4.09 118.16 117.73 2ysa n LYS 21 Ca -0.01 0.23 0.09 0.00 -2.87 0.00 0.00 58.31 55.75 2ysa n LYS 21 Cb 0.39 -1.70 0.27 0.00 -1.84 0.00 0.00 35.03 32.15 2ysa n LYS 21 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2ysa n ASN 22 N -3.19 3.36 -4.74 4.39 5.15 0.14 -4.95 115.26 115.43 2ysa n ASN 22 Ca -0.27 -2.05 -0.41 0.00 -0.60 0.00 0.00 54.58 51.24 2ysa n ASN 22 Cb 1.06 -0.42 -0.03 0.00 -0.53 0.00 0.00 39.78 39.86 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 5.43 0.29 -1.46 0.00 0.13 -1.92 -3.17 132.00 131.29 2ysa h PRO 24 Ca -0.45 -0.15 0.47 0.00 -0.87 0.00 0.00 66.00 65.00 2ysa h PRO 24 Cb 1.21 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 2ysa h PRO 24 CO 0.79 0.69 0.99 0.25 -0.23 0.00 0.00 178.00 180.49 2ysa n THR 25 N -4.61 -0.15 -0.39 1.56 -2.24 -1.26 -0.65 114.28 106.54 2ysa n THR 25 Ca -0.07 1.55 -0.06 0.00 -2.27 0.00 0.00 64.05 63.20 2ysa n THR 25 Cb 0.34 -2.56 -0.03 0.00 -2.10 0.00 0.00 70.33 65.98 2ysa n THR 25 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2ysa h ASN 26 N 0.00 -1.79 0.00 3.42 2.35 -1.94 0.13 115.58 117.75 2ysa h ASN 26 Ca 0.83 0.32 -0.16 0.00 -0.55 0.00 0.00 56.30 56.73 2ysa h ASN 26 Cb 2.91 0.85 -0.06 0.00 0.05 0.00 0.00 38.32 42.07 2ysa h ASN 26 CO -0.28 -0.27 -0.28 0.61 -1.65 0.00 0.00 177.43 175.56 2ysa n GLY 27 N -1.36 2.77 3.83 2.83 0.00 0.18 -4.78 105.19 108.65 2ysa n GLY 27 Ca 0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 2.09 -0.22 -0.00 1.61 1.01 0.44 -5.14 116.67 116.47 2ysa s ASP 28 Ca 0.56 -0.57 0.01 0.00 0.71 0.00 0.00 52.55 53.25 2ysa s ASP 28 Cb 0.27 0.66 -0.00 0.00 1.01 0.00 0.00 42.92 44.85 2ysa s ASP 28 CO 0.00 -1.23 -0.02 -0.54 0.21 0.00 0.00 175.17 173.59 2ysa s LYS 29 N -3.63 0.17 -1.26 8.23 1.02 -1.26 -4.86 119.74 118.15 2ysa s LYS 29 Ca 0.12 -0.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.99 2ysa s LYS 29 Cb -0.05 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 2ysa s LYS 29 CO 0.06 0.04 1.05 0.09 -0.92 0.00 0.00 175.35 175.68 2ysa n ASN 30 N 3.01 -3.53 -0.03 2.83 4.13 -1.26 -4.94 115.26 115.48 2ysa n ASN 30 Ca -0.12 -0.60 -0.22 0.00 1.68 0.00 0.00 54.58 55.32 2ysa n ASN 30 Cb 0.59 -5.05 -0.13 0.00 -1.54 0.00 0.00 39.78 33.65 2ysa n ASN 30 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 2ysa h PHE 31 N -2.18 0.33 -4.39 3.10 -0.00 -1.94 -3.48 116.94 108.39 2ysa h PHE 31 Ca -0.58 -0.24 -0.50 0.00 -0.00 0.00 0.00 57.97 56.64 2ysa h PHE 31 Cb 1.35 -0.01 0.07 0.00 -0.00 0.00 0.00 35.95 37.35 2ysa h PHE 31 CO 0.46 1.62 0.42 -1.21 -0.00 0.00 0.00 178.31 179.60 2ysa s GLU 32 N -2.47 3.37 -0.06 6.09 0.41 -1.26 -4.95 118.70 119.82 2ysa s GLU 32 Ca -0.23 0.65 0.07 0.00 -0.41 0.00 0.00 54.97 55.05 2ysa s GLU 32 Cb 0.06 -2.07 0.31 0.00 -1.78 0.00 0.00 34.13 30.66 2ysa s GLU 32 CO 0.72 -0.71 1.09 0.43 -0.49 0.00 0.00 175.26 176.30 2ysa n SER 33 N -2.82 2.48 0.00 -0.19 7.64 -1.26 -5.02 113.62 114.44 2ysa n SER 33 Ca 0.06 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.70 2ysa n SER 33 Cb 0.55 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2ysa n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysa n GLY 34 N 0.53 0.18 0.10 0.23 0.00 -1.26 -4.28 105.19 100.68 2ysa n GLY 34 Ca 0.11 -1.28 -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 0.19 -6.31 1.61 0.13 -2.06 -3.46 132.00 122.10 2ysa h PRO 35 Ca 0.00 -0.10 -0.52 0.00 -0.87 0.00 0.00 66.00 64.51 2ysa h PRO 35 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2ysa h PRO 35 CO 0.00 0.62 -0.21 -0.98 -0.23 0.00 0.00 178.00 177.20 2ysa s ARG 36 N -4.28 2.33 -0.01 0.86 1.70 -1.26 -5.14 118.95 113.15 2ysa s ARG 36 Ca -0.15 -1.76 0.06 0.00 -0.47 0.00 0.00 55.73 53.41 2ysa s ARG 36 Cb 0.04 -2.41 -0.02 0.00 -0.57 0.00 0.00 34.95 31.99 2ysa s ARG 36 CO 0.72 -0.67 -0.19 -1.50 -1.08 0.00 0.00 175.30 172.57 2ysa s ILE 37 N -2.67 1.52 -0.07 4.99 2.07 -1.26 -4.62 121.20 121.15 2ysa s ILE 37 Ca 0.49 -0.83 -0.13 0.00 -1.41 0.00 0.00 60.65 58.77 2ysa s ILE 37 Cb -0.04 -1.26 -0.10 0.00 0.13 0.00 0.00 42.46 41.18 2ysa s ILE 37 CO 0.31 0.42 0.50 0.50 -1.91 0.00 0.00 174.94 174.76 2ysa h LYS 38 N 5.64 -0.19 -3.20 3.50 1.63 -2.01 -3.48 116.57 118.45 2ysa h LYS 38 Ca -0.38 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.36 2ysa h LYS 38 Cb 1.14 0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 32.67 2ysa h LYS 38 CO 0.48 0.10 -0.11 -1.59 -3.45 0.00 0.00 179.45 174.88 2ysa s LYS 39 N -2.61 0.97 0.02 1.90 -2.85 -1.26 -5.09 119.74 110.81 2ysa s LYS 39 Ca -0.08 -0.52 -0.08 0.00 -1.00 0.00 0.00 55.97 54.29 2ysa s LYS 39 Cb -0.00 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 2ysa s LYS 39 CO 0.28 -0.35 1.12 0.77 0.10 0.00 0.00 175.35 177.27 2ysa h SER 40 N 2.76 -0.27 -2.85 0.03 0.02 -2.06 -3.40 113.55 107.79 2ysa h SER 40 Ca -0.32 0.02 -0.56 0.00 -0.84 0.00 0.00 61.79 60.08 2ysa h SER 40 Cb 1.22 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 2ysa h SER 40 CO 0.45 -0.15 0.94 0.28 -1.14 0.00 0.00 176.83 177.21 2ysa s THR 41 N -3.60 4.12 -0.30 -2.27 -1.32 -1.26 -4.98 115.64 106.03 2ysa s THR 41 Ca -0.04 1.36 -0.12 0.00 -1.21 0.00 0.00 61.69 61.67 2ysa s THR 41 Cb 0.01 -3.87 0.14 0.00 -1.51 0.00 0.00 72.50 67.26 2ysa s THR 41 CO 0.12 -0.12 0.77 -0.83 -2.21 0.00 0.00 174.62 172.36 2ysa s GLY 42 N 2.27 -0.52 0.32 6.08 0.00 -1.26 -5.14 107.32 109.06 2ysa s GLY 42 Ca 0.59 2.61 -0.16 0.00 0.00 0.00 0.00 44.72 47.77 2ysa s GLY 42 CO 0.18 3.04 0.75 -0.26 0.00 0.00 0.00 173.10 176.81 2ysa s ILE 43 N 2.57 4.66 0.95 0.90 -5.25 -1.26 -5.07 121.20 118.70 2ysa s ILE 43 Ca -0.05 1.00 -0.12 0.00 -0.99 0.00 0.00 60.65 60.49 2ysa s ILE 43 Cb -0.09 -3.63 0.16 0.00 2.95 0.00 0.00 42.46 41.85 2ysa s ILE 43 CO -0.18 -0.16 1.09 -2.16 -1.79 0.00 0.00 174.94 171.74 2ysa s PRO 44 N -2.91 0.85 -1.05 0.37 0.04 -1.26 -4.13 135.00 126.91 2ysa s PRO 44 Ca 0.54 0.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 2ysa s PRO 44 Cb -0.11 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.67 2ysa s PRO 44 CO 0.17 -2.48 0.90 0.54 0.04 0.00 0.00 177.00 176.17 2ysa n ARG 45 N -4.03 -6.05 -0.21 4.56 5.12 -1.26 -4.91 116.66 109.89 2ysa n ARG 45 Ca 0.06 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.65 2ysa n ARG 45 Cb 0.56 -5.20 0.12 0.00 -1.16 0.00 0.00 32.46 26.78 2ysa n ARG 45 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2ysa h SER 46 N -1.97 0.24 -0.72 0.55 4.64 -1.99 -2.29 113.55 112.02 2ysa h SER 46 Ca -0.46 0.08 0.15 0.00 -0.47 0.00 0.00 61.79 61.09 2ysa h SER 46 Cb 1.29 0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 63.30 2ysa h SER 46 CO 0.43 0.14 -0.15 0.33 -0.87 0.00 0.00 176.83 176.71 2ysa n PHE 47 N -4.99 0.29 -3.65 4.77 7.35 -1.26 -3.83 117.46 116.13 2ysa n PHE 47 Ca 0.09 0.87 -0.25 0.00 -0.76 0.00 0.00 57.45 57.41 2ysa n PHE 47 Cb 0.28 -0.93 -0.17 0.00 0.35 0.00 0.00 39.48 39.01 2ysa n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ysa s MET 48 N -5.87 0.13 0.48 -4.13 0.23 -0.86 -5.14 119.30 104.15 2ysa s MET 48 Ca -0.11 -0.01 0.01 0.00 -1.03 0.00 0.00 55.69 54.56 2ysa s MET 48 Cb 0.20 -1.52 0.01 0.00 -1.53 0.00 0.00 34.83 31.99 2ysa s MET 48 CO 0.56 -0.57 0.07 0.00 -2.03 0.00 0.00 175.02 173.06 2ysa n MET 49 N 5.25 0.83 -2.42 3.16 0.00 -1.25 -4.77 117.12 117.91 2ysa n MET 49 Ca -0.06 -3.42 -0.13 0.00 0.00 0.00 0.00 57.70 54.09 2ysa n MET 49 Cb 0.49 0.81 0.00 0.00 0.00 0.00 0.00 33.22 34.53 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 -1.29 -1.77 -0.29 3.17 2.13 -1.26 -4.90 120.64 116.43 2ysa n GLU 50 Ca -0.16 0.59 0.07 0.00 0.66 0.00 0.00 57.16 58.32 2ysa n GLU 50 Cb 0.60 -4.77 0.20 0.00 0.27 0.00 0.00 31.44 27.74 2ysa n GLU 50 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2ysa n VAL 51 N -4.01 1.41 -3.59 6.31 0.24 -1.26 -5.01 118.33 112.42 2ysa n VAL 51 Ca -0.12 -1.26 -0.07 0.00 -2.04 0.00 0.00 64.34 60.85 2ysa n VAL 51 Cb 0.60 0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 33.22 2ysa n VAL 51 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2ysa s LYS 52 N -1.56 1.08 -0.04 7.34 -2.85 -1.26 -5.17 119.74 117.28 2ysa s LYS 52 Ca 0.31 -0.49 0.04 0.00 -1.00 0.00 0.00 55.97 54.83 2ysa s LYS 52 Cb 0.20 0.44 -0.00 0.00 -2.06 0.00 0.00 37.83 36.41 2ysa s LYS 52 CO 0.15 -0.48 -0.14 0.16 0.10 0.00 0.00 175.35 175.13 2ysa s ASP 53 N -2.70 1.82 -0.02 0.03 -4.77 -1.26 -5.06 116.67 104.71 2ysa s ASP 53 Ca 0.07 -0.29 -0.26 0.00 -3.30 0.00 0.00 52.55 48.77 2ysa s ASP 53 Cb -0.01 -0.48 -0.20 0.00 -1.09 0.00 0.00 42.92 41.14 2ysa s ASP 53 CO -0.05 0.13 1.24 1.55 0.70 0.00 0.00 175.17 178.73 2ysa h PRO 54 N 6.27 -0.04 0.00 2.11 0.13 -2.05 -3.55 132.00 134.86 2ysa h PRO 54 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2ysa h PRO 54 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ysa h PRO 54 CO 0.48 0.43 0.00 -1.71 -0.23 0.00 0.00 178.00 176.97