#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 6.36 -0.01 1.61 0.01 -1.26 -5.11 113.70 115.29 2ysa s SER 2 Ca 0.00 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2ysa s SER 2 Cb 0.00 -1.97 0.02 0.00 0.21 0.00 0.00 66.02 64.28 2ysa s SER 2 CO 0.00 -0.04 0.00 -0.44 0.41 0.00 0.00 173.24 173.18 2ysa s SER 3 N -3.33 0.19 -1.44 2.44 0.01 -1.26 -4.86 113.70 105.46 2ysa s SER 3 Ca 0.37 -0.00 -0.10 0.00 1.31 0.00 0.00 55.95 57.53 2ysa s SER 3 Cb -0.11 -0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.08 2ysa s SER 3 CO 0.29 -0.06 1.02 0.61 0.41 0.00 0.00 173.24 175.51 2ysa n GLY 4 N 3.71 -0.48 0.13 3.44 0.00 -1.26 -4.90 105.19 105.83 2ysa n GLY 4 Ca -0.21 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.93 1.97 -2.56 1.61 7.64 -1.26 -5.03 113.62 113.06 2ysa n SER 5 Ca -0.02 0.19 -0.13 0.00 1.01 0.00 0.00 58.87 59.92 2ysa n SER 5 Cb 0.56 -0.72 0.06 0.00 -1.01 0.00 0.00 64.21 63.10 2ysa n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ysa n SER 6 N -3.90 -3.10 -1.37 6.43 2.88 -1.26 -5.04 113.62 108.26 2ysa n SER 6 Ca -0.47 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 2ysa n SER 6 Cb 0.91 -3.49 0.00 0.00 -0.75 0.00 0.00 64.21 60.88 2ysa n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysa n GLY 7 N -1.24 1.72 3.81 0.46 0.00 -1.26 -5.15 105.19 103.54 2ysa n GLY 7 Ca -0.11 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 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 1.21 -0.05 0.05 1.61 -0.85 -1.26 -5.19 117.35 112.88 2ysa s TYR 8 Ca 0.00 -0.43 -0.22 0.00 -0.52 0.00 0.00 57.07 55.90 2ysa s TYR 8 Cb 0.00 0.66 0.05 0.00 0.38 0.00 0.00 41.96 43.05 2ysa s TYR 8 CO 0.00 -1.26 0.51 0.99 -1.52 0.00 0.00 175.55 174.26 2ysa s THR 9 N -3.65 0.03 -0.26 -3.49 2.01 -1.26 -4.79 115.64 104.23 2ysa s THR 9 Ca 0.13 -0.27 -0.34 0.00 0.31 0.00 0.00 61.69 61.52 2ysa s THR 9 Cb -0.05 -0.98 -0.10 0.00 0.01 0.00 0.00 72.50 71.38 2ysa s THR 9 CO 0.08 -0.15 2.10 0.00 -0.69 0.00 0.00 174.62 175.96 2ysa n PHE 11 N 9.23 0.00 -0.00 0.00 7.35 -1.26 -0.39 117.46 132.39 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 0.28 -0.34 -0.00 0.00 0.35 0.00 0.00 39.48 39.77 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 -0.01 0.01 -4.13 2.43 -1.89 -3.42 114.38 107.37 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 0.23 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 2ysa h ARG 12 CO 0.00 -0.01 -2.24 0.00 -1.51 0.00 0.00 179.97 176.22 2ysa n GLY 14 N 1.85 1.68 3.33 0.00 0.00 0.48 -5.07 105.19 107.46 2ysa n GLY 14 Ca -0.33 0.00 -0.32 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 -0.56 2.71 1.02 1.61 -0.14 -1.24 -4.82 119.74 118.33 2ysa s LYS 15 Ca 0.00 -0.82 -0.17 0.00 -1.36 0.00 0.00 55.97 53.62 2ysa s LYS 15 Cb 0.00 -2.30 0.25 0.00 -1.68 0.00 0.00 37.83 34.10 2ysa s LYS 15 CO 0.00 0.39 0.90 -0.35 -0.76 0.00 0.00 175.35 175.54 2ysa n PRO 16 N 2.95 -2.77 0.00 -1.68 -0.04 -1.26 -2.20 135.00 129.99 2ysa n PRO 16 Ca -0.18 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 2ysa n PRO 16 Cb 0.52 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -3.50 1.84 3.31 0.55 0.00 -1.26 -4.85 105.19 101.27 2ysa n GLY 17 Ca 0.13 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.33 1.49 0.51 1.61 -3.43 -1.26 -5.10 115.29 108.78 2ysa s HIS 18 Ca 0.00 -1.08 0.06 0.00 -0.80 0.00 0.00 55.06 53.24 2ysa s HIS 18 Cb 0.00 -0.87 0.02 0.00 -1.43 0.00 0.00 32.58 30.30 2ysa s HIS 18 CO 0.00 -0.23 0.39 1.52 -2.00 0.00 0.00 174.74 174.41 2ysa s TYR 19 N -3.64 1.88 0.51 0.38 1.13 -1.26 -2.38 117.35 113.96 2ysa s TYR 19 Ca 0.33 -0.76 0.42 0.00 -1.41 0.00 0.00 57.07 55.64 2ysa s TYR 19 Cb 0.07 -1.96 2.18 0.00 -1.10 0.00 0.00 41.96 41.15 2ysa s TYR 19 CO 0.10 -0.37 2.26 0.97 -2.51 0.00 0.00 175.55 176.01 2ysa h ILE 20 N 0.85 0.00 0.00 -3.49 2.10 -1.88 0.14 117.51 115.23 2ysa h ILE 20 Ca -0.38 -0.08 -0.13 0.00 1.08 0.00 0.00 64.86 65.35 2ysa h ILE 20 Cb 1.29 1.05 -0.02 0.00 -1.09 0.00 0.00 36.82 38.05 2ysa h ILE 20 CO 0.58 0.00 -1.46 0.29 -1.08 0.00 0.00 178.15 176.48 2ysa n LYS 21 N -3.02 0.63 -0.48 2.19 4.76 -1.26 -4.03 118.16 116.95 2ysa n LYS 21 Ca -0.02 0.14 0.08 0.00 -2.87 0.00 0.00 58.31 55.64 2ysa n LYS 21 Cb 0.11 -1.76 0.27 0.00 -1.84 0.00 0.00 35.03 31.81 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 -2.77 4.08 -4.73 4.39 5.15 -0.33 -5.00 115.26 116.06 2ysa n ASN 22 Ca -0.09 -2.80 -0.41 0.00 -0.60 0.00 0.00 54.58 50.68 2ysa n ASN 22 Cb 0.77 -0.52 -0.04 0.00 -0.53 0.00 0.00 39.78 39.47 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 5.63 0.18 -0.86 0.00 0.13 -1.94 -3.21 132.00 131.93 2ysa h PRO 24 Ca -0.43 -0.09 0.33 0.00 -0.87 0.00 0.00 66.00 64.93 2ysa h PRO 24 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 2ysa h PRO 24 CO 0.74 0.61 0.51 0.25 -0.23 0.00 0.00 178.00 179.88 2ysa n THR 25 N -4.71 -0.26 -0.36 1.56 -2.24 -1.26 -0.12 114.28 106.90 2ysa n THR 25 Ca -0.07 1.42 -0.02 0.00 -2.27 0.00 0.00 64.05 63.11 2ysa n THR 25 Cb 0.30 -2.32 0.02 0.00 -2.10 0.00 0.00 70.33 66.23 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 -4.45 -0.66 -2.44 3.42 3.02 -1.21 0.60 115.26 113.54 2ysa n ASN 26 Ca 0.29 1.60 -0.34 0.00 -0.03 0.00 0.00 54.58 56.10 2ysa n ASN 26 Cb 1.04 -0.34 0.06 0.00 -0.61 0.00 0.00 39.78 39.93 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 -1.40 5.52 3.22 7.41 0.00 0.83 -4.92 105.19 115.85 2ysa n GLY 27 Ca 0.08 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.31 3.27 -0.26 1.61 1.11 0.20 -5.10 116.67 116.19 2ysa s ASP 28 Ca 0.58 -0.54 -0.25 0.00 0.18 0.00 0.00 52.55 52.51 2ysa s ASP 28 Cb 0.46 -1.47 -0.00 0.00 1.07 0.00 0.00 42.92 42.98 2ysa s ASP 28 CO -0.12 0.12 0.85 -1.59 1.18 0.00 0.00 175.17 175.60 2ysa s LYS 29 N 0.61 4.13 -1.39 8.23 -2.85 -1.26 -3.71 119.74 123.49 2ysa s LYS 29 Ca -0.11 0.90 -0.02 0.00 -1.00 0.00 0.00 55.97 55.74 2ysa s LYS 29 Cb -0.16 -3.67 0.00 0.00 -2.06 0.00 0.00 37.83 31.94 2ysa s LYS 29 CO 0.03 -0.59 0.28 0.09 0.10 0.00 0.00 175.35 175.26 2ysa n ASN 30 N 6.13 -5.27 -0.34 0.03 3.02 -1.26 -4.87 115.26 112.70 2ysa n ASN 30 Ca 0.06 -0.14 0.21 0.00 -0.03 0.00 0.00 54.58 54.68 2ysa n ASN 30 Cb 0.48 -4.22 0.45 0.00 -0.61 0.00 0.00 39.78 35.87 2ysa n ASN 30 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2ysa h PHE 31 N -0.63 0.88 -0.76 3.10 -0.00 -1.91 0.22 116.94 117.85 2ysa h PHE 31 Ca -0.43 0.03 0.12 0.00 -0.00 0.00 0.00 57.97 57.69 2ysa h PHE 31 Cb 1.31 -0.25 -0.09 0.00 -0.00 0.00 0.00 35.95 36.92 2ysa h PHE 31 CO 0.45 -0.00 0.35 0.93 -0.00 0.00 0.00 178.31 180.04 2ysa h GLU 32 N 0.46 0.53 -0.34 6.09 5.08 -1.91 -1.68 114.58 122.81 2ysa h GLU 32 Ca 0.66 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 59.05 2ysa h GLU 32 Cb 1.47 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.54 2ysa h GLU 32 CO -0.46 0.35 0.01 0.77 -1.00 0.00 0.00 179.01 178.69 2ysa h SER 33 N 0.55 -0.11 0.00 1.42 0.02 -0.92 -3.46 113.55 111.04 2ysa h SER 33 Ca 0.40 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2ysa h SER 33 Cb 0.53 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2ysa h SER 33 CO -0.34 -0.02 0.00 0.61 -1.14 0.00 0.00 176.83 175.94 2ysa n GLY 34 N -1.24 3.03 3.65 -3.77 0.00 -0.63 -5.11 105.19 101.12 2ysa n GLY 34 Ca 0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2ysa n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysa s PRO 35 N -1.29 4.09 0.50 1.61 0.04 -1.25 -4.90 135.00 133.81 2ysa s PRO 35 Ca 0.00 1.92 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 2ysa s PRO 35 Cb 0.00 -3.94 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 2ysa s PRO 35 CO 0.00 -0.93 1.06 -0.98 0.04 0.00 0.00 177.00 176.19 2ysa s ARG 36 N 4.06 3.67 -0.67 4.56 1.70 -1.26 -3.30 118.95 127.72 2ysa s ARG 36 Ca 0.68 1.41 -0.04 0.00 -0.47 0.00 0.00 55.73 57.32 2ysa s ARG 36 Cb -0.28 -2.07 0.04 0.00 -0.57 0.00 0.00 34.95 32.07 2ysa s ARG 36 CO 0.26 -0.55 0.14 1.51 -1.08 0.00 0.00 175.30 175.58 2ysa n ILE 37 N -1.10 -0.31 -1.66 4.99 3.06 -1.26 -4.84 119.36 118.24 2ysa n ILE 37 Ca 0.10 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 59.97 2ysa n ILE 37 Cb 0.52 -0.79 0.05 0.00 0.54 0.00 0.00 39.64 39.95 2ysa n ILE 37 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 2ysa n LYS 38 N -2.94 1.18 -3.50 9.51 2.85 -1.21 -5.01 118.16 119.04 2ysa n LYS 38 Ca -0.03 0.44 -0.09 0.00 -1.05 0.00 0.00 58.31 57.59 2ysa n LYS 38 Cb 0.53 -2.30 -0.02 0.00 -0.65 0.00 0.00 35.03 32.59 2ysa n LYS 38 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2ysa s LYS 39 N -2.78 0.84 0.02 -1.58 0.00 -1.26 -5.17 119.74 109.82 2ysa s LYS 39 Ca 0.74 -0.30 0.01 0.00 0.00 0.00 0.00 55.97 56.42 2ysa s LYS 39 Cb -0.43 0.39 -0.01 0.00 0.00 0.00 0.00 37.83 37.78 2ysa s LYS 39 CO 0.48 -0.37 -0.05 -1.54 0.00 0.00 0.00 175.35 173.87 2ysa s SER 40 N -2.47 0.52 0.14 0.03 1.04 -1.26 -5.15 113.70 106.55 2ysa s SER 40 Ca 0.05 -0.34 -0.24 0.00 0.48 0.00 0.00 55.95 55.89 2ysa s SER 40 Cb -0.01 0.02 -0.07 0.00 0.10 0.00 0.00 66.02 66.05 2ysa s SER 40 CO -0.09 -0.13 0.74 0.42 0.98 0.00 0.00 173.24 175.16 2ysa s THR 41 N -0.88 4.47 0.00 2.02 -4.23 -1.26 -5.02 115.64 110.74 2ysa s THR 41 Ca -0.07 1.61 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 2ysa s THR 41 Cb -0.06 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.68 2ysa s THR 41 CO -0.00 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 2ysa n GLY 42 N 1.70 3.03 3.79 3.99 0.00 -1.26 -5.09 105.19 111.35 2ysa n GLY 42 Ca -0.06 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 3.65 -0.02 -0.61 -5.25 -1.26 -4.99 121.20 112.71 2ysa s ILE 43 Ca 0.00 0.99 -0.26 0.00 -0.99 0.00 0.00 60.65 60.39 2ysa s ILE 43 Cb 0.00 -3.40 -0.20 0.00 2.95 0.00 0.00 42.46 41.81 2ysa s ILE 43 CO 0.00 -0.26 1.25 1.55 -1.79 0.00 0.00 174.94 175.70 2ysa h PRO 44 N 1.31 -0.02 -2.19 0.37 0.13 -2.03 -3.48 132.00 126.08 2ysa h PRO 44 Ca -0.49 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.80 2ysa h PRO 44 Cb 1.23 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 2ysa h PRO 44 CO 0.58 0.45 0.53 -0.98 -0.23 0.00 0.00 178.00 178.36 2ysa s ARG 45 N -4.25 0.89 0.18 0.86 1.70 -1.26 -5.18 118.95 111.88 2ysa s ARG 45 Ca -0.16 -0.41 0.08 0.00 -0.47 0.00 0.00 55.73 54.77 2ysa s ARG 45 Cb 0.02 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.71 2ysa s ARG 45 CO 0.66 -0.40 -0.15 -1.54 -1.08 0.00 0.00 175.30 172.79 2ysa s SER 46 N -2.65 2.48 0.05 -2.89 1.04 -1.26 -5.06 113.70 105.40 2ysa s SER 46 Ca 0.08 -0.94 -0.16 0.00 0.48 0.00 0.00 55.95 55.41 2ysa s SER 46 Cb -0.01 -0.13 -0.27 0.00 0.10 0.00 0.00 66.02 65.72 2ysa s SER 46 CO -0.04 -0.14 1.12 2.19 0.98 0.00 0.00 173.24 177.35 2ysa h PHE 47 N 2.91 0.95 -0.25 5.02 -0.00 -2.02 -3.18 116.94 120.36 2ysa h PHE 47 Ca -0.39 -0.57 0.07 0.00 -0.00 0.00 0.00 57.97 57.08 2ysa h PHE 47 Cb 1.21 -0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 37.06 2ysa h PHE 47 CO 0.69 1.41 0.52 0.00 -0.00 0.00 0.00 178.31 180.93 2ysa h MET 48 N 0.23 0.00 -6.40 6.09 -0.00 -2.02 -3.41 114.93 109.43 2ysa h MET 48 Ca -0.15 0.00 -0.56 0.00 -0.00 0.00 0.00 59.70 58.99 2ysa h MET 48 Cb 1.75 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 33.38 2ysa h MET 48 CO 0.21 0.00 1.13 -0.12 -0.00 0.00 0.00 176.91 178.13 2ysa n MET 49 N -3.21 2.63 -0.12 -0.10 1.56 -1.20 -4.84 117.12 111.84 2ysa n MET 49 Ca 0.04 0.96 0.02 0.00 -0.27 0.00 0.00 57.70 58.45 2ysa n MET 49 Cb 0.63 -2.86 0.08 0.00 2.15 0.00 0.00 33.22 33.22 2ysa n MET 49 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2ysa n GLU 50 N 6.44 1.52 -3.30 2.12 0.28 -1.26 -4.79 120.64 121.64 2ysa n GLU 50 Ca 0.20 -0.62 -0.40 0.00 -0.16 0.00 0.00 57.16 56.17 2ysa n GLU 50 Cb 0.36 -1.28 -0.08 0.00 1.43 0.00 0.00 31.44 31.86 2ysa n GLU 50 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2ysa s VAL 51 N -1.67 5.10 -0.21 3.84 1.01 -1.26 -5.05 120.40 122.15 2ysa s VAL 51 Ca 0.11 0.51 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 2ysa s VAL 51 Cb 0.07 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2ysa s VAL 51 CO 0.06 -0.01 0.47 -0.75 0.00 0.00 0.00 175.10 174.88 2ysa s LYS 52 N 2.23 4.16 0.15 2.72 2.36 -1.26 -5.07 119.74 125.03 2ysa s LYS 52 Ca 0.17 0.32 -0.18 0.00 -2.55 0.00 0.00 55.97 53.73 2ysa s LYS 52 Cb -0.16 -3.57 -0.07 0.00 -1.05 0.00 0.00 37.83 32.98 2ysa s LYS 52 CO 0.11 -0.15 0.61 -0.51 1.55 0.00 0.00 175.35 176.97 2ysa s ASP 53 N 1.20 6.99 0.00 1.43 1.11 -1.26 -4.95 116.67 121.18 2ysa s ASP 53 Ca 0.22 1.25 0.12 0.00 0.18 0.00 0.00 52.55 54.32 2ysa s ASP 53 Cb -0.15 -2.36 0.75 0.00 1.07 0.00 0.00 42.92 42.23 2ysa s ASP 53 CO 0.09 0.14 1.17 -0.81 1.18 0.00 0.00 175.17 176.94 2ysa n PRO 54 N 1.09 0.49 0.00 8.23 -0.04 -1.26 -5.33 135.00 138.18 2ysa n PRO 54 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2ysa n PRO 54 Cb 0.51 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2ysa n PRO 54 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75