#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysa n SER 2 N 0.00 -4.78 -4.81 1.61 7.64 -1.26 -5.00 113.62 107.02 2ysa n SER 2 Ca 0.00 -0.53 -0.31 0.00 1.01 0.00 0.00 58.87 59.04 2ysa n SER 2 Cb 0.00 -4.79 -0.06 0.00 -1.01 0.00 0.00 64.21 58.35 2ysa n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ysa s SER 3 N -3.62 5.75 0.24 6.43 1.04 -1.26 -5.01 113.70 117.27 2ysa s SER 3 Ca 0.37 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.90 2ysa s SER 3 Cb -0.16 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2ysa s SER 3 CO 0.69 0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.72 2ysa n GLY 4 N 0.64 -1.92 3.32 7.32 0.00 -1.26 -4.90 105.19 108.38 2ysa n GLY 4 Ca -0.09 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 2ysa n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysa s SER 5 N -4.04 3.12 0.22 1.61 0.15 -1.26 -5.03 113.70 108.48 2ysa s SER 5 Ca 0.00 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.12 2ysa s SER 5 Cb 0.00 -0.43 0.36 0.00 -1.71 0.00 0.00 66.02 64.24 2ysa s SER 5 CO 0.00 0.31 1.71 0.28 1.20 0.00 0.00 173.24 176.75 2ysa h SER 6 N 5.55 0.10 -2.72 5.45 0.02 -2.02 -3.48 113.55 116.45 2ysa h SER 6 Ca -0.42 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2ysa h SER 6 Cb 1.13 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2ysa h SER 6 CO 0.47 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.81 2ysa n GLY 7 N -1.32 0.62 3.26 -3.77 0.00 -1.26 -5.09 105.19 97.62 2ysa n GLY 7 Ca 0.11 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 3.73 -1.84 -3.55 1.61 0.18 -1.26 -5.05 117.16 110.97 2ysa n TYR 8 Ca 0.00 -0.06 -0.16 0.00 1.88 0.00 0.00 57.90 59.56 2ysa n TYR 8 Cb 0.00 -1.52 -0.06 0.00 -0.38 0.00 0.00 39.34 37.38 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 -2.22 0.01 -0.26 -3.48 2.01 -1.26 -4.78 115.64 105.66 2ysa s THR 9 Ca 0.56 -0.10 -0.34 0.00 0.31 0.00 0.00 61.69 62.11 2ysa s THR 9 Cb -0.13 -0.95 -0.11 0.00 0.01 0.00 0.00 72.50 71.32 2ysa s THR 9 CO 0.59 -0.06 2.08 0.00 -0.69 0.00 0.00 174.62 176.55 2ysa n PHE 11 N 8.93 0.00 -0.01 0.00 7.35 -1.26 -0.42 117.46 132.05 2ysa n PHE 11 Ca 0.34 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 57.03 2ysa n PHE 11 Cb 0.27 -0.22 -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 -1.88 -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 0.17 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 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 1.18 3.25 0.00 0.00 0.44 -5.08 105.19 106.59 2ysa n GLY 14 Ca -0.24 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.23 2.71 1.18 1.61 -0.14 -1.24 -4.85 119.74 117.78 2ysa s LYS 15 Ca 0.00 -0.89 -0.18 0.00 -1.36 0.00 0.00 55.97 53.53 2ysa s LYS 15 Cb 0.00 -2.20 0.28 0.00 -1.68 0.00 0.00 37.83 34.23 2ysa s LYS 15 CO 0.00 0.31 1.11 -1.25 -0.76 0.00 0.00 175.35 174.76 2ysa s PRO 16 N 0.02 -1.04 0.00 -1.68 0.04 -1.26 -2.51 135.00 128.57 2ysa s PRO 16 Ca -0.09 0.00 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2ysa s PRO 16 Cb -0.15 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2ysa s PRO 16 CO 0.06 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 173.90 2ysa n GLY 17 N -0.96 2.08 3.52 0.56 0.00 -1.26 -4.89 105.19 104.24 2ysa n GLY 17 Ca 0.12 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 1.88 0.32 1.61 -3.43 -1.26 -4.94 115.29 109.04 2ysa s HIS 18 Ca 0.00 -1.11 0.09 0.00 -0.80 0.00 0.00 55.06 53.25 2ysa s HIS 18 Cb 0.00 -1.28 -0.05 0.00 -1.43 0.00 0.00 32.58 29.82 2ysa s HIS 18 CO 0.00 -0.10 -0.00 1.52 -2.00 0.00 0.00 174.74 174.16 2ysa s TYR 19 N -3.19 2.55 0.56 0.38 1.13 -1.26 -2.67 117.35 114.85 2ysa s TYR 19 Ca 0.27 -0.39 0.29 0.00 -1.41 0.00 0.00 57.07 55.82 2ysa s TYR 19 Cb 0.05 -1.41 1.47 0.00 -1.10 0.00 0.00 41.96 40.97 2ysa s TYR 19 CO 0.14 0.52 1.93 0.97 -2.51 0.00 0.00 175.55 176.59 2ysa h ILE 20 N 1.85 0.51 0.00 -3.49 2.10 -1.87 0.61 117.51 117.23 2ysa h ILE 20 Ca -0.43 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.30 2ysa h ILE 20 Cb 1.25 0.65 -0.03 0.00 -1.09 0.00 0.00 36.82 37.60 2ysa h ILE 20 CO 0.65 0.00 -1.07 0.11 -1.08 0.00 0.00 178.15 176.76 2ysa h LYS 21 N 0.00 0.00 -0.44 2.19 1.57 -2.00 -3.27 116.57 114.62 2ysa h LYS 21 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2ysa h LYS 21 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2ysa h LYS 21 CO -0.00 0.87 0.00 -1.71 -0.57 0.00 0.00 179.45 178.03 2ysa n ASN 22 N -3.28 4.52 -4.73 0.86 5.15 0.12 -4.99 115.26 112.89 2ysa n ASN 22 Ca -0.03 -2.78 -0.41 0.00 -0.60 0.00 0.00 54.58 50.76 2ysa n ASN 22 Cb 0.94 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 39.59 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 5.46 0.69 -1.46 0.00 0.13 -1.93 -3.15 132.00 131.73 2ysa h PRO 24 Ca -0.44 -0.36 0.47 0.00 -0.87 0.00 0.00 66.00 64.80 2ysa h PRO 24 Cb 1.21 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 2ysa h PRO 24 CO 0.76 0.97 0.98 1.79 -0.23 0.00 0.00 178.00 182.27 2ysa h THR 25 N 0.43 0.08 -0.93 1.56 1.35 -1.92 0.15 112.91 113.63 2ysa h THR 25 Ca 0.05 -0.01 0.37 0.00 -0.55 0.00 0.00 66.41 66.26 2ysa h THR 25 Cb 0.84 0.03 -0.17 0.00 -1.73 0.00 0.00 68.15 67.12 2ysa h THR 25 CO 0.07 0.01 0.43 0.59 -0.25 0.00 0.00 175.52 176.37 2ysa n ASN 26 N -4.54 0.27 -2.42 5.36 3.02 -1.19 0.33 115.26 116.08 2ysa n ASN 26 Ca 0.39 1.54 -0.28 0.00 -0.03 0.00 0.00 54.58 56.21 2ysa n ASN 26 Cb 1.58 -0.73 0.01 0.00 -0.61 0.00 0.00 39.78 40.04 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 -1.27 6.04 3.23 7.41 0.00 0.53 -5.02 105.19 116.11 2ysa n GLY 27 Ca 0.33 -2.70 -0.10 0.00 0.00 0.00 0.00 46.02 43.55 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 -3.24 0.02 -0.12 1.61 1.11 0.15 -5.10 116.67 111.10 2ysa s ASP 28 Ca 0.50 -0.51 -0.12 0.00 0.18 0.00 0.00 52.55 52.61 2ysa s ASP 28 Cb 0.41 0.36 -0.04 0.00 1.07 0.00 0.00 42.92 44.72 2ysa s ASP 28 CO -0.16 -0.72 -0.22 0.29 1.18 0.00 0.00 175.17 175.54 2ysa n LYS 29 N 0.07 0.37 -3.81 8.23 4.01 -1.26 -4.89 118.16 120.87 2ysa n LYS 29 Ca -0.16 0.21 -0.36 0.00 -0.51 0.00 0.00 58.31 57.49 2ysa n LYS 29 Cb 0.62 -1.22 -0.12 0.00 -0.51 0.00 0.00 35.03 33.80 2ysa n LYS 29 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2ysa s ASN 30 N -5.31 5.17 0.33 4.39 0.01 -1.26 -4.95 114.94 113.31 2ysa s ASN 30 Ca -0.19 -1.83 0.08 0.00 -0.71 0.00 0.00 52.86 50.21 2ysa s ASN 30 Cb 0.03 -1.80 0.57 0.00 0.41 0.00 0.00 41.25 40.45 2ysa s ASN 30 CO 0.28 -0.47 1.78 2.19 -1.51 0.00 0.00 177.10 179.37 2ysa h PHE 31 N 8.03 0.27 -0.69 2.20 -5.15 -1.97 -2.94 116.94 116.70 2ysa h PHE 31 Ca -0.15 -0.06 -0.03 0.00 -0.20 0.00 0.00 57.97 57.54 2ysa h PHE 31 Cb 1.05 -0.07 -0.03 0.00 0.22 0.00 0.00 35.95 37.12 2ysa h PHE 31 CO 0.56 0.53 0.32 1.49 -2.00 0.00 0.00 178.31 179.22 2ysa h GLU 32 N 0.21 0.99 -4.88 6.09 4.57 -2.03 -3.39 114.58 116.14 2ysa h GLU 32 Ca 0.03 -0.15 -0.67 0.00 -1.18 0.00 0.00 59.36 57.39 2ysa h GLU 32 Cb 0.66 -0.18 -0.34 0.00 -0.16 0.00 0.00 28.75 28.73 2ysa h GLU 32 CO 0.05 0.79 -0.77 -1.54 -1.18 0.00 0.00 179.01 176.36 2ysa s SER 33 N -6.11 4.34 0.00 1.04 1.04 -1.11 -5.06 113.70 107.83 2ysa s SER 33 Ca -0.13 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.18 2ysa s SER 33 Cb 0.14 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.65 2ysa s SER 33 CO 0.80 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.47 2ysa n GLY 34 N 4.56 0.86 0.00 7.32 0.00 -1.26 -4.58 105.19 112.10 2ysa n GLY 34 Ca -0.15 0.39 0.06 0.00 0.00 0.00 0.00 46.02 46.32 2ysa n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ysa n PRO 35 N 0.00 0.49 -1.59 1.61 -0.04 -1.26 -4.85 135.00 129.36 2ysa n PRO 35 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 2ysa n PRO 35 Cb 0.00 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.14 2ysa n PRO 35 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2ysa n ARG 36 N -0.86 1.00 -4.46 0.54 3.00 -1.26 -5.00 116.66 109.62 2ysa n ARG 36 Ca 0.09 0.37 -0.31 0.00 -0.00 0.00 0.00 57.85 58.00 2ysa n ARG 36 Cb 0.04 -2.06 -0.11 0.00 0.00 0.00 0.00 32.46 30.33 2ysa n ARG 36 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2ysa s ILE 37 N -1.47 3.15 -0.24 5.15 1.10 -1.26 -5.11 121.20 122.52 2ysa s ILE 37 Ca 0.70 -1.15 -0.08 0.00 -0.51 0.00 0.00 60.65 59.62 2ysa s ILE 37 Cb -0.47 -2.39 -0.04 0.00 0.15 0.00 0.00 42.46 39.72 2ysa s ILE 37 CO 0.52 0.26 0.09 -1.59 -2.11 0.00 0.00 174.94 172.11 2ysa s LYS 38 N -1.71 3.78 -0.21 3.50 0.00 -1.26 -4.98 119.74 118.85 2ysa s LYS 38 Ca 0.17 -0.42 -0.21 0.00 0.00 0.00 0.00 55.97 55.52 2ysa s LYS 38 Cb -0.11 -3.35 -0.19 0.00 0.00 0.00 0.00 37.83 34.18 2ysa s LYS 38 CO 0.09 -0.07 0.18 1.17 0.00 0.00 0.00 175.35 176.71 2ysa n LYS 39 N 4.61 0.57 -1.73 1.78 3.00 -1.26 -4.86 118.16 120.27 2ysa n LYS 39 Ca -0.16 0.55 -0.42 0.00 -0.00 0.00 0.00 58.31 58.28 2ysa n LYS 39 Cb 0.52 -1.73 -0.03 0.00 0.00 0.00 0.00 35.03 33.79 2ysa n LYS 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2ysa s SER 40 N -6.90 6.15 -0.05 3.14 0.15 -1.26 -4.97 113.70 109.95 2ysa s SER 40 Ca -0.29 2.26 0.01 0.00 0.70 0.00 0.00 55.95 58.63 2ysa s SER 40 Cb 0.06 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.87 2ysa s SER 40 CO 0.59 -1.35 -0.05 -0.89 1.20 0.00 0.00 173.24 172.73 2ysa s THR 41 N 5.71 0.64 0.28 6.45 2.01 -1.26 -4.99 115.64 124.48 2ysa s THR 41 Ca 0.89 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 2ysa s THR 41 Cb -0.37 -0.66 -0.13 0.00 0.01 0.00 0.00 72.50 71.36 2ysa s THR 41 CO 0.37 0.26 1.37 0.61 -0.69 0.00 0.00 174.62 176.53 2ysa n GLY 42 N 4.14 0.71 3.58 4.40 0.00 -1.26 -5.00 105.19 111.77 2ysa n GLY 42 Ca -0.22 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.43 3.33 -1.19 -0.61 -4.36 -1.26 -5.04 121.20 111.64 2ysa s ILE 43 Ca 0.63 -1.39 -0.23 0.00 -0.26 0.00 0.00 60.65 59.40 2ysa s ILE 43 Cb -0.61 -2.59 -0.09 0.00 1.25 0.00 0.00 42.46 40.42 2ysa s ILE 43 CO 0.54 0.03 1.93 -2.16 0.24 0.00 0.00 174.94 175.53 2ysa s PRO 44 N -2.43 2.49 -0.06 0.37 0.04 -1.26 -4.86 135.00 129.29 2ysa s PRO 44 Ca 0.23 -1.18 -0.11 0.00 0.04 0.00 0.00 61.00 59.98 2ysa s PRO 44 Cb -0.10 -5.25 0.02 0.00 0.04 0.00 0.00 34.50 29.21 2ysa s PRO 44 CO 0.14 -4.00 0.27 1.03 0.04 0.00 0.00 177.00 174.49 2ysa s ARG 45 N 6.47 0.48 -0.10 4.56 0.52 -1.26 -5.17 118.95 124.45 2ysa s ARG 45 Ca 0.68 0.06 -0.10 0.00 -0.52 0.00 0.00 55.73 55.85 2ysa s ARG 45 Cb -0.01 0.22 0.03 0.00 0.52 0.00 0.00 34.95 35.71 2ysa s ARG 45 CO 0.13 -0.10 0.28 -1.12 0.02 0.00 0.00 175.30 174.52 2ysa s SER 46 N -0.62 -0.29 -0.02 0.23 0.01 -1.26 -5.16 113.70 106.59 2ysa s SER 46 Ca -0.07 0.54 0.08 0.00 1.31 0.00 0.00 55.95 57.81 2ysa s SER 46 Cb -0.04 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.74 2ysa s SER 46 CO 0.02 -0.12 -0.25 -0.36 0.41 0.00 0.00 173.24 172.94 2ysa s PHE 47 N 0.06 2.35 -0.38 2.43 0.08 -1.26 -5.11 117.98 116.16 2ysa s PHE 47 Ca -0.01 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.51 2ysa s PHE 47 Cb -0.02 -1.50 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 2ysa s PHE 47 CO 0.01 -0.02 0.22 -1.64 -0.10 0.00 0.00 175.22 173.69 2ysa s MET 48 N -0.64 2.80 -0.16 0.44 -1.94 -1.26 -4.92 119.30 113.61 2ysa s MET 48 Ca 0.10 -1.12 0.16 0.00 -1.71 0.00 0.00 55.69 53.11 2ysa s MET 48 Cb -0.10 -3.76 0.62 0.00 2.01 0.00 0.00 34.83 33.60 2ysa s MET 48 CO -0.01 -0.74 1.53 -1.33 -0.01 0.00 0.00 175.02 174.46 2ysa n MET 49 N 5.00 3.59 0.00 2.03 2.81 -1.26 -4.50 117.12 124.79 2ysa n MET 49 Ca -0.12 -2.85 0.00 0.00 -1.81 0.00 0.00 57.70 52.93 2ysa n MET 49 Cb 0.46 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 2ysa n MET 49 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2ysa n GLU 50 N 0.19 0.99 -0.35 0.03 2.13 -1.26 -3.57 120.64 118.80 2ysa n GLU 50 Ca 0.23 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.09 2ysa n GLU 50 Cb 0.92 -1.19 0.19 0.00 0.27 0.00 0.00 31.44 31.63 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 -0.30 1.05 -3.74 6.31 0.24 -1.26 -4.80 118.33 115.83 2ysa n VAL 51 Ca 0.00 -0.63 -0.13 0.00 -2.04 0.00 0.00 64.34 61.54 2ysa n VAL 51 Cb 0.10 -0.15 -0.14 0.00 -1.47 0.00 0.00 33.84 32.18 2ysa n VAL 51 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2ysa s LYS 52 N -1.74 0.11 0.31 7.34 2.47 -1.23 -5.14 119.74 121.86 2ysa s LYS 52 Ca 0.27 0.40 -0.29 0.00 -1.56 0.00 0.00 55.97 54.79 2ysa s LYS 52 Cb 0.18 -0.17 -0.10 0.00 -1.46 0.00 0.00 37.83 36.28 2ysa s LYS 52 CO 0.11 -0.17 1.24 0.34 0.16 0.00 0.00 175.35 177.04 2ysa s ASP 53 N 1.19 6.94 0.00 1.43 2.15 -1.26 -4.89 116.67 122.23 2ysa s ASP 53 Ca -0.09 2.54 0.11 0.00 0.43 0.00 0.00 52.55 55.54 2ysa s ASP 53 Cb -0.11 -2.64 0.67 0.00 -0.30 0.00 0.00 42.92 40.54 2ysa s ASP 53 CO -0.06 -0.40 1.10 -0.81 -0.17 0.00 0.00 175.17 174.83 2ysa n PRO 54 N 1.01 0.49 0.00 4.34 -0.04 -1.26 -5.22 135.00 134.32 2ysa n PRO 54 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2ysa n PRO 54 Cb 0.43 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2ysa n PRO 54 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55