#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 5.75 0.11 1.61 1.04 -1.26 -4.94 113.70 116.01 2ysb s SER 2 Ca 0.00 1.64 -0.30 0.00 0.48 0.00 0.00 55.95 57.77 2ysb s SER 2 Cb 0.00 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.53 2ysb s SER 2 CO 0.00 -1.77 1.22 -0.44 0.98 0.00 0.00 173.24 173.23 2ysb s SER 3 N 6.91 7.06 0.00 7.02 0.01 -1.26 -4.82 113.70 128.62 2ysb s SER 3 Ca 0.89 2.13 0.00 0.00 1.31 0.00 0.00 55.95 60.28 2ysb s SER 3 Cb -0.28 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.36 2ysb s SER 3 CO 0.34 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2ysb n GLY 4 N 2.85 -1.76 2.90 3.44 0.00 -1.26 -5.01 105.19 106.35 2ysb n GLY 4 Ca 0.07 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 2ysb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysb s SER 5 N -4.00 -0.04 0.62 1.61 1.04 -1.26 -5.17 113.70 106.50 2ysb s SER 5 Ca 0.00 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.58 2ysb s SER 5 Cb 0.00 0.09 0.09 0.00 0.10 0.00 0.00 66.02 66.29 2ysb s SER 5 CO 0.00 -0.04 0.85 -0.44 0.98 0.00 0.00 173.24 174.59 2ysb s SER 6 N 0.27 4.87 -0.17 7.02 0.01 -1.26 -5.10 113.70 119.34 2ysb s SER 6 Ca -0.02 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 2ysb s SER 6 Cb -0.03 -0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 2ysb s SER 6 CO -0.01 -1.47 -0.14 -0.83 0.41 0.00 0.00 173.24 171.21 2ysb s GLY 7 N -4.63 1.49 0.00 3.44 0.00 -1.26 -4.96 107.32 101.40 2ysb s GLY 7 Ca 0.62 -1.09 0.14 0.00 0.00 0.00 0.00 44.72 44.39 2ysb s GLY 7 CO 0.40 0.14 1.03 1.18 0.00 0.00 0.00 173.10 175.86 2ysb n GLU 8 N 4.28 1.36 -2.92 2.90 4.71 -1.26 -4.96 120.64 124.76 2ysb n GLU 8 Ca -0.19 -1.53 -0.09 0.00 -0.01 0.00 0.00 57.16 55.33 2ysb n GLU 8 Cb 0.51 -1.29 -0.02 0.00 -1.01 0.00 0.00 31.44 29.63 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2ysb n ASP 9 N 0.82 -1.16 -3.87 1.62 2.03 -1.26 -4.78 116.55 109.94 2ysb n ASP 9 Ca 0.10 0.10 -0.35 0.00 0.52 0.00 0.00 54.79 55.16 2ysb n ASP 9 Cb 0.38 -1.11 0.03 0.00 -0.72 0.00 0.00 41.12 39.70 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 -2.80 -5.07 -4.57 -2.67 4.77 -1.26 -4.66 117.00 100.74 2ysb n LEU 10 Ca 0.03 0.31 -0.28 0.00 -0.03 0.00 0.00 56.01 56.04 2ysb n LEU 10 Cb 0.48 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 2ysb n LEU 10 CO 0.21 -5.39 1.45 -2.16 -1.33 0.00 0.00 177.39 170.17 2ysb s PRO 11 N -1.62 2.51 0.46 3.23 0.04 -1.26 -4.94 135.00 133.42 2ysb s PRO 11 Ca 0.43 -0.88 -0.22 0.00 0.04 0.00 0.00 61.00 60.37 2ysb s PRO 11 Cb -0.26 -5.18 -0.11 0.00 0.04 0.00 0.00 34.50 28.99 2ysb s PRO 11 CO 0.74 -3.79 0.66 1.28 0.04 0.00 0.00 177.00 175.93 2ysb n LEU 12 N 14.28 0.88 -4.69 -3.56 4.77 -1.26 -4.95 117.00 122.46 2ysb n LEU 12 Ca 0.43 0.90 -0.29 0.00 -0.03 0.00 0.00 56.01 57.02 2ysb n LEU 12 Cb 0.47 -1.19 0.16 0.00 -2.33 0.00 0.00 43.42 40.53 2ysb n LEU 12 CO 0.65 -2.57 0.65 -2.16 -1.33 0.00 0.00 177.39 172.63 2ysb s PRO 13 N -1.83 0.75 -0.43 3.23 0.04 -1.26 -4.93 135.00 130.56 2ysb s PRO 13 Ca 0.65 0.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.05 2ysb s PRO 13 Cb -0.55 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 2ysb s PRO 13 CO 0.56 -2.54 1.75 -1.25 0.04 0.00 0.00 177.00 175.56 2ysb s PRO 14 N -4.95 3.16 0.00 0.56 0.04 -1.26 -2.58 135.00 129.96 2ysb s PRO 14 Ca 0.65 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2ysb s PRO 14 Cb -0.18 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2ysb s PRO 14 CO 0.57 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.94 2ysb n GLY 15 N 5.45 1.45 3.94 0.56 0.00 -1.26 -4.97 105.19 110.37 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 -1.23 3.50 -0.21 1.61 0.52 -1.07 -2.36 118.94 119.69 2ysb s TRP 16 Ca 0.00 0.36 -0.09 0.00 0.02 0.00 0.00 56.10 56.38 2ysb s TRP 16 Cb 0.00 -1.90 0.08 0.00 -1.15 0.00 0.00 33.47 30.51 2ysb s TRP 16 CO 0.00 0.15 0.48 -1.12 0.02 0.00 0.00 176.95 176.48 2ysb s SER 17 N -3.93 -0.55 0.13 2.95 0.01 -0.58 -4.91 113.70 106.81 2ysb s SER 17 Ca 0.40 1.10 -0.11 0.00 1.31 0.00 0.00 55.95 58.65 2ysb s SER 17 Cb -0.10 1.27 -0.06 0.00 0.21 0.00 0.00 66.02 67.34 2ysb s SER 17 CO 0.35 -0.22 0.48 0.54 0.41 0.00 0.00 173.24 174.81 2ysb s VAL 18 N 2.09 4.97 -0.14 3.43 0.11 -1.26 -0.20 120.40 129.40 2ysb s VAL 18 Ca -0.06 0.59 -0.13 0.00 -2.93 0.00 0.00 61.98 59.44 2ysb s VAL 18 Cb -0.10 -3.68 0.04 0.00 -1.53 0.00 0.00 36.38 31.11 2ysb s VAL 18 CO -0.15 0.20 0.38 -0.62 -3.33 0.00 0.00 175.10 171.59 2ysb s ASP 19 N -1.87 -0.40 -0.20 3.54 -1.08 -0.27 -4.97 116.67 111.42 2ysb s ASP 19 Ca 0.38 0.78 -0.13 0.00 -0.52 0.00 0.00 52.55 53.05 2ysb s ASP 19 Cb -0.14 0.78 -0.05 0.00 -1.46 0.00 0.00 42.92 42.06 2ysb s ASP 19 CO 0.19 -0.13 0.26 0.26 0.52 0.00 0.00 175.17 176.27 2ysb s TRP 20 N 0.22 3.39 0.81 -5.34 0.51 -1.26 -2.03 118.94 115.25 2ysb s TRP 20 Ca -0.00 0.47 -0.12 0.00 -2.12 0.00 0.00 56.10 54.33 2ysb s TRP 20 Cb -0.03 -2.34 0.08 0.00 -0.81 0.00 0.00 33.47 30.37 2ysb s TRP 20 CO 0.00 0.14 1.15 0.95 -0.51 0.00 0.00 176.95 178.68 2ysb s THR 21 N 0.81 2.40 0.19 2.01 -4.23 -0.67 -4.91 115.64 111.23 2ysb s THR 21 Ca 0.14 0.13 -0.19 0.00 -1.18 0.00 0.00 61.69 60.59 2ysb s THR 21 Cb -0.13 -3.05 0.14 0.00 1.34 0.00 0.00 72.50 70.79 2ysb s THR 21 CO 0.04 -0.17 1.61 0.24 -0.54 0.00 0.00 174.62 175.81 2ysb h MET 22 N -1.07 -0.12 -0.55 3.99 2.86 -1.98 -0.99 114.93 117.07 2ysb h MET 22 Ca -0.47 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.29 2ysb h MET 22 Cb 1.31 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.89 2ysb h MET 22 CO 0.64 -0.08 -0.18 0.00 1.06 0.00 0.00 176.91 178.35 2ysb h ARG 23 N -0.13 -0.04 0.00 1.72 -0.00 -2.04 -3.45 114.38 110.43 2ysb h ARG 23 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.72 2ysb h ARG 23 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.47 2ysb h ARG 23 CO -0.59 -0.03 0.00 0.41 0.00 0.00 0.00 179.97 179.76 2ysb n GLY 24 N -1.41 0.99 3.87 0.04 0.00 -0.37 -5.14 105.19 103.17 2ysb n GLY 24 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 3.61 -0.34 1.61 0.52 -1.26 -4.86 118.95 118.23 2ysb s ARG 25 Ca 0.00 0.02 -0.14 0.00 -0.52 0.00 0.00 55.73 55.08 2ysb s ARG 25 Cb 0.00 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 2ysb s ARG 25 CO 0.00 0.70 0.32 0.21 0.02 0.00 0.00 175.30 176.55 2ysb s LYS 26 N -1.35 3.56 0.04 3.54 2.20 -1.26 -1.66 119.74 124.80 2ysb s LYS 26 Ca 0.22 -0.48 0.08 0.00 -0.36 0.00 0.00 55.97 55.44 2ysb s LYS 26 Cb -0.14 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.36 2ysb s LYS 26 CO 0.11 -0.49 -0.23 1.52 -0.36 0.00 0.00 175.35 175.90 2ysb s TYR 27 N 1.92 2.05 -0.17 4.03 1.13 -0.86 -4.81 117.35 120.64 2ysb s TYR 27 Ca 0.10 -0.39 -0.07 0.00 -1.41 0.00 0.00 57.07 55.30 2ysb s TYR 27 Cb -0.17 -1.24 -0.04 0.00 -1.10 0.00 0.00 41.96 39.41 2ysb s TYR 27 CO 0.11 0.09 0.06 0.71 -2.51 0.00 0.00 175.55 174.02 2ysb s TYR 28 N -0.77 3.27 -0.13 -3.49 2.02 -0.70 -1.11 117.35 116.44 2ysb s TYR 28 Ca 0.09 0.11 -0.06 0.00 -0.37 0.00 0.00 57.07 56.85 2ysb s TYR 28 Cb -0.09 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 2ysb s TYR 28 CO 0.02 0.21 0.09 0.42 -1.57 0.00 0.00 175.55 174.71 2ysb s ILE 29 N 0.21 5.03 -0.39 2.71 1.01 0.72 -0.84 121.20 129.66 2ysb s ILE 29 Ca 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 2ysb s ILE 29 Cb -0.12 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.19 2ysb s ILE 29 CO 0.00 0.56 0.23 -0.62 0.00 0.00 0.00 174.94 175.12 2ysb s ASP 30 N -0.55 5.72 0.38 3.58 -1.08 0.18 -1.53 116.67 123.38 2ysb s ASP 30 Ca 0.11 -1.16 0.20 0.00 -0.52 0.00 0.00 52.55 51.19 2ysb s ASP 30 Cb -0.12 -2.02 0.35 0.00 -1.46 0.00 0.00 42.92 39.67 2ysb s ASP 30 CO 0.02 -0.44 1.59 0.45 0.52 0.00 0.00 175.17 177.30 2ysb h HIS 31 N 8.44 0.00 0.07 -5.34 3.86 -1.77 1.82 115.15 122.24 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 0.59 0.23 -1.10 -0.91 0.86 0.00 0.00 177.93 177.60 2ysb h ASN 32 N 0.00 0.49 0.00 2.45 2.35 -1.92 -3.34 115.58 115.60 2ysb h ASN 32 Ca -0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2ysb h ASN 32 Cb 1.10 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2ysb h ASN 32 CO 0.03 1.29 -1.11 0.35 -1.65 0.00 0.00 177.43 176.34 2ysb n THR 33 N -3.65 0.00 -3.01 2.81 -2.24 -1.22 -5.02 114.28 101.95 2ysb n THR 33 Ca -0.08 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 2ysb n THR 33 Cb 0.93 0.54 0.06 0.00 -2.10 0.00 0.00 70.33 69.76 2ysb n THR 33 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ysb n ASN 34 N -1.64 -2.83 -4.00 3.42 5.15 0.61 -5.04 115.26 110.94 2ysb n ASN 34 Ca -0.00 -0.39 -0.09 0.00 -0.60 0.00 0.00 54.58 53.50 2ysb n ASN 34 Cb 0.24 -3.48 -0.10 0.00 -0.53 0.00 0.00 39.78 35.90 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ysb s THR 35 N -3.23 0.15 0.15 -0.44 -4.23 -0.85 -4.93 115.64 102.26 2ysb s THR 35 Ca 0.11 -1.24 0.04 0.00 -1.18 0.00 0.00 61.69 59.43 2ysb s THR 35 Cb -0.05 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 2ysb s THR 35 CO 0.47 -0.68 0.15 0.42 -0.54 0.00 0.00 174.62 174.45 2ysb s THR 36 N -2.55 4.65 -0.11 3.99 -4.23 -1.26 0.47 115.64 116.60 2ysb s THR 36 Ca -0.06 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 2ysb s THR 36 Cb -0.02 -3.36 0.05 0.00 1.34 0.00 0.00 72.50 70.52 2ysb s THR 36 CO -0.05 -0.07 0.22 -1.00 -0.54 0.00 0.00 174.62 173.19 2ysb s HIS 37 N -1.69 -0.32 0.26 3.99 3.76 -0.02 -4.98 115.29 116.29 2ysb s HIS 37 Ca 0.31 0.81 -0.05 0.00 -0.15 0.00 0.00 55.06 55.98 2ysb s HIS 37 Cb -0.11 -0.09 0.30 0.00 1.11 0.00 0.00 32.58 33.79 2ysb s HIS 37 CO 0.24 -0.30 1.90 -1.49 -0.85 0.00 0.00 174.74 174.24 2ysb h TRP 38 N 8.09 1.16 -2.42 1.40 -0.00 -1.87 -1.86 115.95 120.45 2ysb h TRP 38 Ca -0.19 -0.01 -0.48 0.00 -0.00 0.00 0.00 58.89 58.21 2ysb h TRP 38 Cb 1.12 -0.38 -0.01 0.00 -0.00 0.00 0.00 29.16 29.89 2ysb h TRP 38 CO 0.39 0.78 -0.38 -1.54 -0.00 0.00 0.00 178.44 177.69 2ysb s SER 39 N -6.26 6.32 0.38 -3.49 1.04 -1.26 -4.68 113.70 105.75 2ysb s SER 39 Ca -0.12 0.19 -0.28 0.00 0.48 0.00 0.00 55.95 56.22 2ysb s SER 39 Cb 0.17 -1.91 -0.10 0.00 0.10 0.00 0.00 66.02 64.28 2ysb s SER 39 CO 0.82 -0.09 1.41 -2.28 0.98 0.00 0.00 173.24 174.07 2ysb s HIS 40 N -2.00 2.73 -0.30 5.02 2.46 -1.26 -4.82 115.29 117.11 2ysb s HIS 40 Ca 0.36 1.27 0.27 0.00 0.47 0.00 0.00 55.06 57.43 2ysb s HIS 40 Cb -0.10 -3.88 1.11 0.00 -0.13 0.00 0.00 32.58 29.58 2ysb s HIS 40 CO 0.30 -2.57 1.79 -1.00 -2.47 0.00 0.00 174.74 170.79 2ysb h PRO 41 N 3.00 0.00 0.00 2.88 0.13 -1.95 -2.80 132.00 133.26 2ysb h PRO 41 Ca -0.50 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 2ysb h PRO 41 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2ysb h PRO 41 CO 0.64 0.00 -1.88 1.28 -0.23 0.00 0.00 178.00 177.81 2ysb n LEU 42 N -2.48 0.36 0.23 1.56 4.77 -1.26 -4.41 117.00 115.77 2ysb n LEU 42 Ca 0.02 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 2ysb n LEU 42 Cb 0.25 0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 2ysb n LEU 42 CO 0.22 0.22 0.72 -0.33 -1.33 0.00 0.00 177.39 176.89 2ysb h GLU 43 N 0.00 -0.51 -5.88 3.23 4.39 -1.88 -3.36 114.58 110.57 2ysb h GLU 43 Ca -0.25 0.03 -0.42 0.00 0.34 0.00 0.00 59.36 59.07 2ysb h GLU 43 Cb 1.65 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 30.35 2ysb h GLU 43 CO 0.03 -0.32 1.04 0.45 -1.16 0.00 0.00 179.01 179.05 2ysb s SER 44 N -4.75 5.67 -0.91 1.42 0.15 -1.23 -4.90 113.70 109.15 2ysb s SER 44 Ca -0.16 -0.92 -0.05 0.00 0.70 0.00 0.00 55.95 55.53 2ysb s SER 44 Cb 0.04 -2.56 0.23 0.00 -1.71 0.00 0.00 66.02 62.02 2ysb s SER 44 CO 0.63 -2.26 0.83 -0.83 1.20 0.00 0.00 173.24 172.81 2ysb s GLY 45 N 6.82 3.02 0.00 9.45 0.00 -1.26 -4.87 107.32 120.48 2ysb s GLY 45 Ca 0.60 -3.73 0.14 0.00 0.00 0.00 0.00 44.72 41.73 2ysb s GLY 45 CO -0.03 1.22 1.28 -1.55 0.00 0.00 0.00 173.10 174.02 2ysb n PRO 46 N 2.69 0.49 -0.05 2.90 -0.04 -1.26 -2.78 135.00 136.95 2ysb n PRO 46 Ca 0.20 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 2ysb n PRO 46 Cb 0.38 -1.46 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 2ysb n PRO 46 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ysb n SER 47 N -0.96 2.03 -4.41 3.54 2.88 -1.26 -4.90 113.62 110.53 2ysb n SER 47 Ca 0.11 0.26 -0.60 0.00 -1.33 0.00 0.00 58.87 57.30 2ysb n SER 47 Cb 0.05 -0.86 -0.11 0.00 -0.75 0.00 0.00 64.21 62.54 2ysb n SER 47 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ysb n SER 48 N -3.80 1.15 0.00 -3.46 3.41 -1.12 -5.33 113.62 104.48 2ysb n SER 48 Ca -0.34 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2ysb n SER 48 Cb 0.92 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2ysb n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49