#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 -0.54 0.27 1.61 1.04 -1.26 -5.18 113.70 109.64 2ysb s SER 2 Ca 0.00 0.72 0.12 0.00 0.48 0.00 0.00 55.95 57.27 2ysb s SER 2 Cb 0.00 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 2ysb s SER 2 CO 0.00 -0.41 -0.17 -0.55 0.98 0.00 0.00 173.24 173.09 2ysb s SER 3 N -0.77 3.73 -0.65 7.02 0.15 -1.26 -4.86 113.70 117.07 2ysb s SER 3 Ca -0.04 -0.96 -0.15 0.00 0.70 0.00 0.00 55.95 55.50 2ysb s SER 3 Cb -0.01 -0.38 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 2ysb s SER 3 CO 0.04 0.04 0.64 0.61 1.20 0.00 0.00 173.24 175.76 2ysb n GLY 4 N -0.61 -0.82 0.34 9.45 0.00 -1.26 -4.96 105.19 107.33 2ysb n GLY 4 Ca -0.06 0.85 -0.11 0.00 0.00 0.00 0.00 46.02 46.70 2ysb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ysb n SER 5 N -1.44 1.67 -3.45 1.61 7.64 -1.26 -5.02 113.62 113.37 2ysb n SER 5 Ca -0.15 0.28 -0.10 0.00 1.01 0.00 0.00 58.87 59.90 2ysb n SER 5 Cb 0.64 -0.63 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2ysb n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ysb s SER 6 N -6.18 0.30 0.00 6.43 0.15 -1.26 -4.99 113.70 108.15 2ysb s SER 6 Ca -0.24 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2ysb s SER 6 Cb 0.05 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 2ysb s SER 6 CO 0.33 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2ysb n GLY 7 N 5.36 0.07 2.16 9.45 0.00 -1.26 -4.37 105.19 116.60 2ysb n GLY 7 Ca -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2ysb n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ysb n GLU 8 N -1.69 -2.55 -3.98 1.61 -0.58 -1.26 -0.93 120.64 111.25 2ysb n GLU 8 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 2ysb n GLU 8 Cb 0.00 -4.36 -0.07 0.00 -0.57 0.00 0.00 31.44 26.44 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2ysb n ASP 9 N -0.95 -1.30 -4.28 1.62 -0.08 -1.26 -4.78 116.55 105.52 2ysb n ASP 9 Ca 0.00 -1.02 -0.35 0.00 -1.51 0.00 0.00 54.79 51.90 2ysb n ASP 9 Cb 0.39 -1.30 0.07 0.00 2.34 0.00 0.00 41.12 42.61 2ysb n ASP 9 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ysb n LEU 10 N -3.44 -2.18 -4.57 -2.67 4.77 -0.11 -4.73 117.00 104.06 2ysb n LEU 10 Ca 0.07 0.39 -0.27 0.00 -0.03 0.00 0.00 56.01 56.16 2ysb n LEU 10 Cb 0.38 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.39 2ysb n LEU 10 CO 0.78 -4.39 1.44 -2.16 -1.33 0.00 0.00 177.39 171.72 2ysb s PRO 11 N -2.57 2.51 0.40 3.23 0.04 -1.26 -4.94 135.00 132.41 2ysb s PRO 11 Ca 0.54 -0.81 -0.23 0.00 0.04 0.00 0.00 61.00 60.54 2ysb s PRO 11 Cb -0.27 -5.17 -0.13 0.00 0.04 0.00 0.00 34.50 28.97 2ysb s PRO 11 CO 0.70 -3.75 0.55 1.28 0.04 0.00 0.00 177.00 175.82 2ysb n LEU 12 N 14.26 -0.12 -4.68 -3.56 4.77 -1.26 -4.94 117.00 121.46 2ysb n LEU 12 Ca 0.43 0.93 -0.29 0.00 -0.03 0.00 0.00 56.01 57.05 2ysb n LEU 12 Cb 0.47 -1.10 0.17 0.00 -2.33 0.00 0.00 43.42 40.63 2ysb n LEU 12 CO 0.64 -2.86 0.64 -2.16 -1.33 0.00 0.00 177.39 172.32 2ysb s PRO 13 N -1.52 0.49 -0.40 3.23 0.04 -1.26 -4.93 135.00 130.66 2ysb s PRO 13 Ca 0.63 0.55 -0.28 0.00 0.04 0.00 0.00 61.00 61.93 2ysb s PRO 13 Cb -0.63 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 2ysb s PRO 13 CO 0.58 -2.70 1.73 -1.25 0.04 0.00 0.00 177.00 175.40 2ysb s PRO 14 N -4.96 3.26 0.00 0.56 0.04 -1.26 -2.58 135.00 130.06 2ysb s PRO 14 Ca 0.65 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2ysb s PRO 14 Cb -0.19 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2ysb s PRO 14 CO 0.58 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2ysb n GLY 15 N 5.40 1.19 3.94 0.56 0.00 -1.26 -4.94 105.19 110.09 2ysb n GLY 15 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.50 3.43 -0.22 1.61 0.52 -1.07 -1.95 118.94 119.77 2ysb s TRP 16 Ca 0.00 0.05 -0.09 0.00 0.02 0.00 0.00 56.10 56.07 2ysb s TRP 16 Cb 0.00 -1.61 0.08 0.00 -1.15 0.00 0.00 33.47 30.80 2ysb s TRP 16 CO 0.00 0.49 0.49 -1.54 0.02 0.00 0.00 176.95 176.41 2ysb s SER 17 N -3.53 -0.58 0.12 2.95 1.04 -0.52 -4.91 113.70 108.27 2ysb s SER 17 Ca 0.34 1.13 -0.12 0.00 0.48 0.00 0.00 55.95 57.78 2ysb s SER 17 Cb -0.10 1.32 -0.06 0.00 0.10 0.00 0.00 66.02 67.27 2ysb s SER 17 CO 0.28 -0.22 0.48 0.54 0.98 0.00 0.00 173.24 175.31 2ysb s VAL 18 N 2.13 4.96 -0.06 5.02 0.11 -1.26 -0.15 120.40 131.15 2ysb s VAL 18 Ca -0.06 0.66 -0.13 0.00 -2.93 0.00 0.00 61.98 59.51 2ysb s VAL 18 Cb -0.10 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.08 2ysb s VAL 18 CO -0.15 0.26 0.32 -1.81 -3.33 0.00 0.00 175.10 170.39 2ysb s ASP 19 N -1.74 -0.25 -0.23 3.54 1.01 -0.29 -4.97 116.67 113.73 2ysb s ASP 19 Ca 0.36 0.32 -0.11 0.00 0.71 0.00 0.00 52.55 53.83 2ysb s ASP 19 Cb -0.14 0.47 -0.05 0.00 1.01 0.00 0.00 42.92 44.20 2ysb s ASP 19 CO 0.19 -0.31 0.17 0.26 0.21 0.00 0.00 175.17 175.69 2ysb s TRP 20 N -0.71 3.34 0.81 4.23 0.51 -1.26 -1.96 118.94 123.90 2ysb s TRP 20 Ca -0.08 0.29 -0.12 0.00 -2.12 0.00 0.00 56.10 54.07 2ysb s TRP 20 Cb -0.04 -2.26 0.08 0.00 -0.81 0.00 0.00 33.47 30.43 2ysb s TRP 20 CO 0.03 0.12 1.14 0.95 -0.51 0.00 0.00 176.95 178.67 2ysb s THR 21 N 0.90 2.49 0.13 2.01 -4.23 -0.64 -4.89 115.64 111.42 2ysb s THR 21 Ca 0.09 0.16 -0.31 0.00 -1.18 0.00 0.00 61.69 60.45 2ysb s THR 21 Cb -0.13 -3.07 -0.09 0.00 1.34 0.00 0.00 72.50 70.55 2ysb s THR 21 CO 0.03 -0.21 1.51 -0.03 -0.54 0.00 0.00 174.62 175.39 2ysb h MET 22 N -1.07 -0.27 -0.87 3.99 1.85 -1.98 0.21 114.93 116.78 2ysb h MET 22 Ca -0.47 0.02 0.21 0.00 -0.61 0.00 0.00 59.70 58.85 2ysb h MET 22 Cb 1.30 0.06 -0.16 0.00 0.43 0.00 0.00 31.60 33.24 2ysb h MET 22 CO 0.64 -0.18 -0.05 -0.09 -0.40 0.00 0.00 176.91 176.82 2ysb h ARG 23 N -0.28 0.04 0.00 0.39 1.12 -2.05 -3.44 114.38 110.16 2ysb h ARG 23 Ca 0.09 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.96 2ysb h ARG 23 Cb 0.52 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 2ysb h ARG 23 CO -0.64 0.03 0.00 0.41 -3.11 0.00 0.00 179.97 176.66 2ysb n GLY 24 N -1.49 1.47 3.89 2.80 0.00 0.06 -5.14 105.19 106.78 2ysb n GLY 24 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 3.44 -0.33 1.61 0.52 -1.25 -4.86 118.95 118.08 2ysb s ARG 25 Ca 0.00 -0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 54.86 2ysb s ARG 25 Cb 0.00 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 2ysb s ARG 25 CO 0.00 0.75 0.39 0.21 0.02 0.00 0.00 175.30 176.67 2ysb s LYS 26 N -1.30 3.68 0.02 3.54 2.20 -1.26 -1.62 119.74 125.00 2ysb s LYS 26 Ca 0.19 -0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.59 2ysb s LYS 26 Cb -0.12 -3.77 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 2ysb s LYS 26 CO 0.08 -0.49 -0.18 1.52 -0.36 0.00 0.00 175.35 175.92 2ysb s TYR 27 N 2.10 1.63 -0.18 4.03 1.13 -0.83 -4.81 117.35 120.42 2ysb s TYR 27 Ca 0.14 -0.34 -0.09 0.00 -1.41 0.00 0.00 57.07 55.37 2ysb s TYR 27 Cb -0.16 -1.01 -0.05 0.00 -1.10 0.00 0.00 41.96 39.64 2ysb s TYR 27 CO 0.12 0.03 0.11 0.71 -2.51 0.00 0.00 175.55 174.01 2ysb s TYR 28 N -0.64 3.38 -0.14 -3.49 2.02 -0.59 -1.14 117.35 116.75 2ysb s TYR 28 Ca 0.06 0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.98 2ysb s TYR 28 Cb -0.08 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 2ysb s TYR 28 CO 0.01 0.31 0.10 0.42 -1.57 0.00 0.00 175.55 174.82 2ysb s ILE 29 N 0.17 5.18 -0.40 2.71 1.01 0.79 -0.78 121.20 129.88 2ysb s ILE 29 Ca 0.08 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 2ysb s ILE 29 Cb -0.11 -3.28 0.07 0.00 0.01 0.00 0.00 42.46 39.14 2ysb s ILE 29 CO -0.01 0.55 0.23 -0.62 0.00 0.00 0.00 174.94 175.09 2ysb s ASP 30 N -0.45 5.58 0.34 3.58 -1.08 0.22 -1.43 116.67 123.42 2ysb s ASP 30 Ca 0.11 -1.41 0.25 0.00 -0.52 0.00 0.00 52.55 50.98 2ysb s ASP 30 Cb -0.12 -1.97 0.58 0.00 -1.46 0.00 0.00 42.92 39.95 2ysb s ASP 30 CO 0.02 -0.49 1.69 0.45 0.52 0.00 0.00 175.17 177.36 2ysb h HIS 31 N 8.37 0.00 0.01 -5.34 3.86 -1.68 1.21 115.15 121.58 2ysb h HIS 31 Ca -0.23 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.74 2ysb h HIS 31 Cb 1.08 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.56 2ysb h HIS 31 CO 0.60 0.00 -1.01 -0.91 0.86 0.00 0.00 177.93 177.47 2ysb h ASN 32 N 0.00 0.68 0.00 2.45 2.35 -1.92 -3.34 115.58 115.79 2ysb h ASN 32 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 2ysb h ASN 32 Cb 0.87 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2ysb h ASN 32 CO 0.00 1.36 -0.37 0.35 -1.65 0.00 0.00 177.43 177.11 2ysb n THR 33 N -3.77 0.00 -2.99 2.81 -2.24 -1.22 -5.02 114.28 101.84 2ysb n THR 33 Ca -0.09 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 2ysb n THR 33 Cb 0.87 0.95 0.05 0.00 -2.10 0.00 0.00 70.33 70.10 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 -1.19 -2.95 -4.03 3.42 3.02 0.41 -5.04 115.26 108.89 2ysb n ASN 34 Ca 0.01 -0.37 -0.09 0.00 -0.03 0.00 0.00 54.58 54.10 2ysb n ASN 34 Cb 0.10 -3.37 -0.11 0.00 -0.61 0.00 0.00 39.78 35.80 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ysb s THR 35 N -3.22 0.20 0.18 3.41 -4.23 -0.65 -4.94 115.64 106.39 2ysb s THR 35 Ca 0.13 -1.24 0.06 0.00 -1.18 0.00 0.00 61.69 59.45 2ysb s THR 35 Cb -0.06 -0.74 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 2ysb s THR 35 CO 0.46 -0.66 0.11 0.42 -0.54 0.00 0.00 174.62 174.40 2ysb s THR 36 N -2.31 4.28 -0.09 3.99 -4.23 -1.26 0.71 115.64 116.73 2ysb s THR 36 Ca -0.07 -1.23 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 2ysb s THR 36 Cb -0.04 -3.20 0.05 0.00 1.34 0.00 0.00 72.50 70.65 2ysb s THR 36 CO -0.04 -0.15 0.19 -1.00 -0.54 0.00 0.00 174.62 173.08 2ysb s HIS 37 N -1.82 -0.25 0.24 3.99 3.76 0.04 -4.97 115.29 116.28 2ysb s HIS 37 Ca 0.30 0.67 -0.06 0.00 -0.15 0.00 0.00 55.06 55.83 2ysb s HIS 37 Cb -0.09 -0.10 0.25 0.00 1.11 0.00 0.00 32.58 33.74 2ysb s HIS 37 CO 0.22 -0.24 1.84 -1.49 -0.85 0.00 0.00 174.74 174.22 2ysb h TRP 38 N 7.75 1.16 -2.23 1.40 -0.00 -1.87 -1.57 115.95 120.59 2ysb h TRP 38 Ca -0.29 -0.05 -0.46 0.00 -0.00 0.00 0.00 58.89 58.09 2ysb h TRP 38 Cb 1.13 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 29.92 2ysb h TRP 38 CO 0.40 0.84 -0.41 -1.12 -0.00 0.00 0.00 178.44 178.15 2ysb s SER 39 N -6.33 6.31 0.39 -3.49 0.01 -1.26 -4.66 113.70 104.67 2ysb s SER 39 Ca -0.12 0.09 -0.27 0.00 1.31 0.00 0.00 55.95 56.96 2ysb s SER 39 Cb 0.16 -1.86 -0.10 0.00 0.21 0.00 0.00 66.02 64.43 2ysb s SER 39 CO 0.83 -0.09 1.47 -2.28 0.41 0.00 0.00 173.24 173.58 2ysb s HIS 40 N -2.01 2.56 0.22 2.43 2.46 -1.26 -4.81 115.29 114.88 2ysb s HIS 40 Ca 0.35 1.19 0.23 0.00 0.47 0.00 0.00 55.06 57.30 2ysb s HIS 40 Cb -0.09 -4.00 0.99 0.00 -0.13 0.00 0.00 32.58 29.35 2ysb s HIS 40 CO 0.30 -2.98 1.87 -1.00 -2.47 0.00 0.00 174.74 170.45 2ysb h PRO 41 N 2.86 0.00 0.03 2.88 0.13 -1.93 -3.02 132.00 132.96 2ysb h PRO 41 Ca -0.51 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.33 2ysb h PRO 41 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2ysb h PRO 41 CO 0.63 0.24 -1.59 -0.07 -0.23 0.00 0.00 178.00 176.98 2ysb h LEU 42 N 0.00 0.11 -0.27 1.56 3.38 -1.93 -3.37 115.31 114.79 2ysb h LEU 42 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2ysb h LEU 42 Cb 0.68 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2ysb h LEU 42 CO 0.03 1.17 0.17 -0.33 0.09 0.00 0.00 178.44 179.57 2ysb h GLU 43 N 0.02 0.37 -3.93 1.13 4.39 -1.91 -3.43 114.58 111.21 2ysb h GLU 43 Ca -0.25 -0.03 -0.31 0.00 0.34 0.00 0.00 59.36 59.11 2ysb h GLU 43 Cb 1.98 -0.08 -0.31 0.00 -0.10 0.00 0.00 28.75 30.24 2ysb h GLU 43 CO 0.10 0.27 -0.74 0.45 -1.16 0.00 0.00 179.01 177.93 2ysb s SER 44 N -5.48 0.40 0.00 1.42 0.15 -1.17 -5.08 113.70 103.95 2ysb s SER 44 Ca -0.13 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2ysb s SER 44 Cb 0.09 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2ysb s SER 44 CO 0.71 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.74 2ysb n GLY 45 N 3.49 2.24 0.11 9.45 0.00 -1.26 -4.61 105.19 114.61 2ysb n GLY 45 Ca -0.19 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.46 0.16 -5.10 1.61 -0.04 -1.26 -4.63 135.00 125.29 2ysb n PRO 46 Ca 0.00 0.40 -0.32 0.00 -0.04 0.00 0.00 63.50 63.53 2ysb n PRO 46 Cb 0.00 -1.80 -0.16 0.00 -0.04 0.00 0.00 33.50 31.50 2ysb n PRO 46 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ysb s SER 47 N -4.00 3.37 0.25 3.54 0.15 -1.26 -5.02 113.70 110.73 2ysb s SER 47 Ca 0.05 -0.48 -0.07 0.00 0.70 0.00 0.00 55.95 56.15 2ysb s SER 47 Cb 0.09 -1.36 0.43 0.00 -1.71 0.00 0.00 66.02 63.47 2ysb s SER 47 CO 0.36 0.18 1.63 0.28 1.20 0.00 0.00 173.24 176.89 2ysb h SER 48 N 6.57 -0.38 -0.02 5.45 0.02 -1.98 -3.50 113.55 119.71 2ysb h SER 48 Ca -0.24 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2ysb h SER 48 Cb 1.22 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2ysb h SER 48 CO 0.49 -0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.60