#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysb s SER 2 N 0.00 4.30 -0.42 1.61 0.01 -1.26 -4.86 113.70 113.08 2ysb s SER 2 Ca 0.00 1.37 -0.42 0.00 1.31 0.00 0.00 55.95 58.21 2ysb s SER 2 Cb 0.00 -2.09 -0.17 0.00 0.21 0.00 0.00 66.02 63.97 2ysb s SER 2 CO 0.00 -2.10 1.95 -0.24 0.41 0.00 0.00 173.24 173.25 2ysb n SER 3 N -3.52 1.54 -0.09 2.44 2.88 -1.26 -4.82 113.62 110.78 2ysb n SER 3 Ca 0.07 0.82 -0.07 0.00 -1.33 0.00 0.00 58.87 58.37 2ysb n SER 3 Cb 0.56 -1.03 0.01 0.00 -0.75 0.00 0.00 64.21 62.99 2ysb n SER 3 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2ysb h GLY 4 N 8.48 0.41 -6.83 0.46 0.00 -2.08 -3.39 103.07 100.11 2ysb h GLY 4 Ca -0.29 -0.06 -0.61 0.00 0.00 0.00 0.00 47.33 46.36 2ysb h GLY 4 CO 1.02 0.02 -0.23 -1.35 0.00 0.00 0.00 176.54 176.00 2ysb s SER 5 N -5.34 6.33 -0.18 0.19 1.04 -1.26 -5.06 113.70 109.43 2ysb s SER 5 Ca -0.13 0.39 -0.13 0.00 0.48 0.00 0.00 55.95 56.56 2ysb s SER 5 Cb 0.11 -2.21 0.05 0.00 0.10 0.00 0.00 66.02 64.07 2ysb s SER 5 CO 0.71 -0.12 0.45 -0.44 0.98 0.00 0.00 173.24 174.82 2ysb s SER 6 N 1.30 -0.52 0.00 7.02 0.01 -1.26 -5.15 113.70 115.10 2ysb s SER 6 Ca 0.16 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.36 2ysb s SER 6 Cb -0.15 0.88 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2ysb s SER 6 CO 0.08 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2ysb n GLY 7 N 3.55 3.59 3.55 3.44 0.00 -1.26 -4.98 105.19 113.08 2ysb n GLY 7 Ca -0.18 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 2ysb n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ysb s GLU 8 N -3.10 3.20 0.00 1.61 8.01 -1.26 -4.87 118.70 122.30 2ysb s GLU 8 Ca 0.00 -0.39 -0.03 0.00 0.01 0.00 0.00 54.97 54.56 2ysb s GLU 8 Cb 0.00 -4.59 -0.15 0.00 -4.31 0.00 0.00 34.13 25.09 2ysb s GLU 8 CO 0.00 -2.31 2.77 -3.47 0.01 0.00 0.00 175.26 172.26 2ysb n ASP 9 N 9.90 4.90 -4.30 -0.19 2.03 -1.26 -4.94 116.55 122.69 2ysb n ASP 9 Ca 0.16 -2.37 -0.35 0.00 0.52 0.00 0.00 54.79 52.75 2ysb n ASP 9 Cb 0.50 -1.21 0.07 0.00 -0.72 0.00 0.00 41.12 39.77 2ysb n ASP 9 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ysb n LEU 10 N 2.13 -1.81 -4.57 -2.67 4.77 -1.26 -4.74 117.00 108.84 2ysb n LEU 10 Ca 0.24 0.39 -0.28 0.00 -0.03 0.00 0.00 56.01 56.33 2ysb n LEU 10 Cb 0.69 -1.06 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2ysb n LEU 10 CO 0.08 -4.25 1.42 -2.16 -1.33 0.00 0.00 177.39 171.15 2ysb s PRO 11 N -2.71 2.54 0.44 3.23 0.04 -1.26 -4.94 135.00 132.33 2ysb s PRO 11 Ca 0.55 -0.72 -0.22 0.00 0.04 0.00 0.00 61.00 60.65 2ysb s PRO 11 Cb -0.27 -5.15 -0.13 0.00 0.04 0.00 0.00 34.50 28.99 2ysb s PRO 11 CO 0.69 -3.66 0.47 1.28 0.04 0.00 0.00 177.00 175.82 2ysb n LEU 12 N 14.12 -0.40 -4.69 -3.56 4.77 -1.26 -4.94 117.00 121.05 2ysb n LEU 12 Ca 0.42 0.87 -0.29 0.00 -0.03 0.00 0.00 56.01 56.99 2ysb n LEU 12 Cb 0.47 -1.08 0.17 0.00 -2.33 0.00 0.00 43.42 40.64 2ysb n LEU 12 CO 0.64 -3.11 0.65 -2.16 -1.33 0.00 0.00 177.39 172.07 2ysb s PRO 13 N -1.54 0.66 -0.40 3.23 0.04 -1.26 -4.93 135.00 130.80 2ysb s PRO 13 Ca 0.63 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.00 2ysb s PRO 13 Cb -0.59 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 2ysb s PRO 13 CO 0.59 -2.60 1.73 -1.25 0.04 0.00 0.00 177.00 175.50 2ysb s PRO 14 N -4.95 3.26 0.00 0.56 0.04 -1.26 -2.55 135.00 130.10 2ysb s PRO 14 Ca 0.65 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2ysb s PRO 14 Cb -0.18 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2ysb s PRO 14 CO 0.57 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2ysb n GLY 15 N 5.40 1.42 3.94 0.56 0.00 -1.26 -4.97 105.19 110.28 2ysb n GLY 15 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 2ysb n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ysb s TRP 16 N -1.56 3.48 -0.22 1.61 0.52 -1.06 -2.18 118.94 119.54 2ysb s TRP 16 Ca 0.00 0.24 -0.10 0.00 0.02 0.00 0.00 56.10 56.26 2ysb s TRP 16 Cb 0.00 -1.78 0.08 0.00 -1.15 0.00 0.00 33.47 30.63 2ysb s TRP 16 CO 0.00 0.38 0.50 -1.12 0.02 0.00 0.00 176.95 176.73 2ysb s SER 17 N -3.43 -0.60 0.16 2.95 0.01 -0.38 -4.90 113.70 107.51 2ysb s SER 17 Ca 0.37 1.14 -0.11 0.00 1.31 0.00 0.00 55.95 58.67 2ysb s SER 17 Cb -0.10 1.32 -0.07 0.00 0.21 0.00 0.00 66.02 67.38 2ysb s SER 17 CO 0.30 -0.22 0.50 0.54 0.41 0.00 0.00 173.24 174.77 2ysb s VAL 18 N 2.10 4.97 -0.07 3.43 0.11 -1.26 0.01 120.40 129.69 2ysb s VAL 18 Ca -0.06 0.53 -0.13 0.00 -2.93 0.00 0.00 61.98 59.39 2ysb s VAL 18 Cb -0.10 -3.66 0.03 0.00 -1.53 0.00 0.00 36.38 31.12 2ysb s VAL 18 CO -0.15 0.12 0.31 -1.81 -3.33 0.00 0.00 175.10 170.24 2ysb s ASP 19 N -2.03 -0.26 -0.24 3.54 1.01 -0.17 -4.95 116.67 113.56 2ysb s ASP 19 Ca 0.40 0.38 -0.13 0.00 0.71 0.00 0.00 52.55 53.92 2ysb s ASP 19 Cb -0.13 0.50 -0.04 0.00 1.01 0.00 0.00 42.92 44.25 2ysb s ASP 19 CO 0.20 -0.26 0.26 0.26 0.21 0.00 0.00 175.17 175.84 2ysb s TRP 20 N -0.52 3.31 0.89 4.23 0.51 -1.26 -2.33 118.94 123.77 2ysb s TRP 20 Ca -0.06 0.34 -0.12 0.00 -2.12 0.00 0.00 56.10 54.14 2ysb s TRP 20 Cb -0.04 -2.40 0.13 0.00 -0.81 0.00 0.00 33.47 30.35 2ysb s TRP 20 CO 0.02 -0.03 1.12 0.95 -0.51 0.00 0.00 176.95 178.50 2ysb s THR 21 N 1.38 2.31 0.15 2.01 -4.23 -0.66 -4.87 115.64 111.72 2ysb s THR 21 Ca 0.12 0.10 -0.28 0.00 -1.18 0.00 0.00 61.69 60.45 2ysb s THR 21 Cb -0.15 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 2ysb s THR 21 CO 0.07 -0.13 1.57 -0.03 -0.54 0.00 0.00 174.62 175.56 2ysb h MET 22 N -1.45 -0.36 -0.87 3.99 1.85 -1.98 -0.05 114.93 116.06 2ysb h MET 22 Ca -0.50 0.02 0.23 0.00 -0.61 0.00 0.00 59.70 58.84 2ysb h MET 22 Cb 1.31 0.08 -0.14 0.00 0.43 0.00 0.00 31.60 33.29 2ysb h MET 22 CO 0.60 -0.24 0.25 0.00 -0.40 0.00 0.00 176.91 177.13 2ysb h ARG 23 N -0.37 0.23 0.00 0.39 2.47 -2.05 -3.45 114.38 111.61 2ysb h ARG 23 Ca 0.12 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2ysb h ARG 23 Cb 0.60 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2ysb h ARG 23 CO -0.55 0.15 0.00 0.41 0.56 0.00 0.00 179.97 180.54 2ysb n GLY 24 N -1.37 1.72 3.84 0.04 0.00 -0.03 -5.14 105.19 104.25 2ysb n GLY 24 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2ysb n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ysb s ARG 25 N 0.00 3.37 -0.33 1.61 0.52 -1.25 -4.86 118.95 118.00 2ysb s ARG 25 Ca 0.00 -0.18 -0.16 0.00 -0.52 0.00 0.00 55.73 54.87 2ysb s ARG 25 Cb 0.00 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 2ysb s ARG 25 CO 0.00 0.76 0.40 0.21 0.02 0.00 0.00 175.30 176.69 2ysb s LYS 26 N -0.98 3.68 0.08 3.54 2.20 -1.26 -1.66 119.74 125.34 2ysb s LYS 26 Ca 0.15 -0.25 0.06 0.00 -0.36 0.00 0.00 55.97 55.57 2ysb s LYS 26 Cb -0.12 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 2ysb s LYS 26 CO 0.04 -0.50 -0.16 1.52 -0.36 0.00 0.00 175.35 175.88 2ysb s TYR 27 N 2.13 1.40 -0.15 4.03 1.13 -0.98 -4.84 117.35 120.07 2ysb s TYR 27 Ca 0.14 -0.45 -0.06 0.00 -1.41 0.00 0.00 57.07 55.29 2ysb s TYR 27 Cb -0.16 -0.78 -0.04 0.00 -1.10 0.00 0.00 41.96 39.88 2ysb s TYR 27 CO 0.12 0.11 0.05 0.71 -2.51 0.00 0.00 175.55 174.03 2ysb s TYR 28 N -1.31 3.26 -0.11 -3.49 2.02 -0.55 -1.00 117.35 116.17 2ysb s TYR 28 Ca 0.01 0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 56.81 2ysb s TYR 28 Cb -0.10 -1.99 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 2ysb s TYR 28 CO 0.03 0.28 0.03 0.42 -1.57 0.00 0.00 175.55 174.74 2ysb s ILE 29 N -0.07 4.54 -0.36 2.71 1.01 0.10 0.00 121.20 129.13 2ysb s ILE 29 Ca 0.06 -0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 2ysb s ILE 29 Cb -0.12 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.43 2ysb s ILE 29 CO 0.01 0.58 0.17 -0.62 0.00 0.00 0.00 174.94 175.08 2ysb s ASP 30 N -0.62 5.58 0.38 3.58 -1.08 0.24 -1.25 116.67 123.50 2ysb s ASP 30 Ca 0.11 -1.04 0.20 0.00 -0.52 0.00 0.00 52.55 51.29 2ysb s ASP 30 Cb -0.12 -1.97 0.28 0.00 -1.46 0.00 0.00 42.92 39.65 2ysb s ASP 30 CO 0.02 -0.36 1.56 0.45 0.52 0.00 0.00 175.17 177.36 2ysb h HIS 31 N 8.36 0.00 0.08 -5.34 3.86 -1.73 1.63 115.15 122.00 2ysb h HIS 31 Ca -0.25 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.71 2ysb h HIS 31 Cb 1.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2ysb h HIS 31 CO 0.58 0.22 -1.11 -0.91 0.86 0.00 0.00 177.93 177.57 2ysb h ASN 32 N 0.00 0.44 0.00 2.45 2.35 -1.92 -3.34 115.58 115.55 2ysb h ASN 32 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2ysb h ASN 32 Cb 1.14 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2ysb h ASN 32 CO 0.03 1.28 -0.97 0.35 -1.65 0.00 0.00 177.43 176.46 2ysb n THR 33 N -3.61 0.00 -3.07 2.81 -2.24 -1.23 -5.02 114.28 101.92 2ysb n THR 33 Ca -0.07 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 2ysb n THR 33 Cb 0.94 0.64 0.06 0.00 -2.10 0.00 0.00 70.33 69.86 2ysb n THR 33 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ysb n ASN 34 N -1.55 -3.35 -3.94 3.42 4.13 0.55 -5.04 115.26 109.48 2ysb n ASN 34 Ca 0.00 -0.38 -0.10 0.00 1.68 0.00 0.00 54.58 55.78 2ysb n ASN 34 Cb 0.22 -3.51 -0.10 0.00 -1.54 0.00 0.00 39.78 34.84 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2ysb s THR 35 N -3.22 0.10 0.15 3.41 -4.23 -0.79 -4.92 115.64 106.14 2ysb s THR 35 Ca 0.18 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.89 2ysb s THR 35 Cb -0.08 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.36 2ysb s THR 35 CO 0.48 -0.46 0.15 0.42 -0.54 0.00 0.00 174.62 174.67 2ysb s THR 36 N -1.49 4.66 -0.03 3.99 -4.23 -1.26 0.81 115.64 118.09 2ysb s THR 36 Ca -0.15 -0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2ysb s THR 36 Cb -0.09 -3.36 0.03 0.00 1.34 0.00 0.00 72.50 70.42 2ysb s THR 36 CO -0.00 -0.06 0.04 -1.00 -0.54 0.00 0.00 174.62 173.05 2ysb s HIS 37 N -1.69 0.13 0.28 3.99 3.76 0.10 -4.97 115.29 116.89 2ysb s HIS 37 Ca 0.31 0.14 -0.03 0.00 -0.15 0.00 0.00 55.06 55.33 2ysb s HIS 37 Cb -0.11 -0.40 0.37 0.00 1.11 0.00 0.00 32.58 33.55 2ysb s HIS 37 CO 0.24 -0.15 1.93 -1.49 -0.85 0.00 0.00 174.74 174.42 2ysb h TRP 38 N 7.81 1.10 -2.35 1.40 -0.00 -1.88 -1.46 115.95 120.55 2ysb h TRP 38 Ca -0.30 0.00 -0.51 0.00 -0.00 0.00 0.00 58.89 58.08 2ysb h TRP 38 Cb 1.12 -0.36 -0.03 0.00 -0.00 0.00 0.00 29.16 29.89 2ysb h TRP 38 CO 0.50 0.72 -0.49 -1.12 -0.00 0.00 0.00 178.44 178.05 2ysb s SER 39 N -6.29 5.97 0.38 -3.49 0.01 -1.26 -4.69 113.70 104.33 2ysb s SER 39 Ca -0.12 -0.03 -0.27 0.00 1.31 0.00 0.00 55.95 56.84 2ysb s SER 39 Cb 0.17 -1.67 -0.11 0.00 0.21 0.00 0.00 66.02 64.62 2ysb s SER 39 CO 0.80 -0.01 1.37 1.57 0.41 0.00 0.00 173.24 177.38 2ysb n HIS 40 N -0.99 2.54 0.21 2.43 -0.00 -1.26 -4.82 115.22 113.33 2ysb n HIS 40 Ca -0.08 0.50 0.08 0.00 0.46 0.00 0.00 57.72 58.68 2ysb n HIS 40 Cb 0.56 -2.45 0.46 0.00 -0.12 0.00 0.00 29.99 28.44 2ysb n HIS 40 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2ysb h PRO 41 N 2.58 0.00 0.06 1.57 0.13 -1.97 -3.05 132.00 131.32 2ysb h PRO 41 Ca -0.48 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.36 2ysb h PRO 41 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 2ysb h PRO 41 CO 0.62 0.28 -1.51 -0.07 -0.23 0.00 0.00 178.00 177.10 2ysb h LEU 42 N 0.00 0.19 -8.53 1.56 3.38 -1.98 -3.44 115.31 106.50 2ysb h LEU 42 Ca -0.00 -0.29 -0.41 0.00 0.09 0.00 0.00 57.88 57.27 2ysb h LEU 42 Cb 0.70 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2ysb h LEU 42 CO 0.04 1.24 1.33 -1.61 0.09 0.00 0.00 178.44 179.53 2ysb s GLU 43 N -2.63 2.21 0.13 1.13 2.02 -1.15 -4.87 118.70 115.55 2ysb s GLU 43 Ca -0.06 1.00 -0.24 0.00 0.02 0.00 0.00 54.97 55.68 2ysb s GLU 43 Cb 0.08 -4.58 0.07 0.00 0.10 0.00 0.00 34.13 29.80 2ysb s GLU 43 CO 0.83 -3.27 0.68 -1.12 0.02 0.00 0.00 175.26 172.40 2ysb s SER 44 N 10.73 -0.49 0.00 -0.19 0.01 -1.26 -4.82 113.70 117.67 2ysb s SER 44 Ca 0.87 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 58.07 2ysb s SER 44 Cb -0.15 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2ysb s SER 44 CO 0.21 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.55 2ysb n GLY 45 N -0.36 -1.96 0.00 3.44 0.00 -1.26 -4.17 105.19 100.88 2ysb n GLY 45 Ca -0.14 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.29 2ysb n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ysb n PRO 46 N -0.01 0.25 -3.45 1.61 -0.04 -1.26 -4.86 135.00 127.23 2ysb n PRO 46 Ca 0.00 0.13 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 2ysb n PRO 46 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 2ysb n PRO 46 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ysb n SER 47 N -1.25 -5.14 -2.15 3.54 7.64 -1.26 -4.93 113.62 110.07 2ysb n SER 47 Ca 0.08 -0.51 -0.26 0.00 1.01 0.00 0.00 58.87 59.19 2ysb n SER 47 Cb 0.11 -4.63 0.02 0.00 -1.01 0.00 0.00 64.21 58.70 2ysb n SER 47 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ysb n SER 48 N -2.67 5.15 0.00 6.43 7.64 -1.26 -5.18 113.62 123.74 2ysb n SER 48 Ca -0.05 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.08 2ysb n SER 48 Cb 0.58 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2ysb n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64