#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysb n SER 2 N 0.00 3.09 -4.83 1.61 7.64 -1.26 -4.94 113.62 114.93 2ysb n SER 2 Ca 0.00 0.49 -0.30 0.00 1.01 0.00 0.00 58.87 60.07 2ysb n SER 2 Cb 0.00 -1.44 0.08 0.00 -1.01 0.00 0.00 64.21 61.85 2ysb n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ysb s SER 3 N 6.80 4.64 0.94 6.43 1.04 -1.26 -4.77 113.70 127.52 2ysb s SER 3 Ca 1.00 1.20 0.00 0.00 0.48 0.00 0.00 55.95 58.63 2ysb s SER 3 Cb -0.56 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2ysb s SER 3 CO 0.43 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.40 2ysb n GLY 4 N -2.41 1.27 3.47 7.32 0.00 -1.26 -4.36 105.19 109.23 2ysb n GLY 4 Ca 0.07 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 2ysb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysb s SER 5 N -4.00 6.23 -0.55 1.61 0.15 -1.26 -5.02 113.70 110.86 2ysb s SER 5 Ca 0.00 -0.73 -0.21 0.00 0.70 0.00 0.00 55.95 55.71 2ysb s SER 5 Cb 0.00 -2.27 0.06 0.00 -1.71 0.00 0.00 66.02 62.10 2ysb s SER 5 CO 0.00 -0.75 0.76 -0.55 1.20 0.00 0.00 173.24 173.90 2ysb s SER 6 N 2.24 6.24 -0.17 5.45 0.15 -1.26 -4.97 113.70 121.37 2ysb s SER 6 Ca 0.15 -0.86 -0.35 0.00 0.70 0.00 0.00 55.95 55.59 2ysb s SER 6 Cb -0.18 -2.35 0.15 0.00 -1.71 0.00 0.00 66.02 61.94 2ysb s SER 6 CO 0.14 -1.08 1.39 -0.83 1.20 0.00 0.00 173.24 174.06 2ysb s GLY 7 N 3.00 -0.36 -0.09 9.45 0.00 -1.26 -5.03 107.32 113.02 2ysb s GLY 7 Ca 0.19 1.37 0.13 0.00 0.00 0.00 0.00 44.72 46.42 2ysb s GLY 7 CO 0.13 0.38 1.12 1.18 0.00 0.00 0.00 173.10 175.90 2ysb n GLU 8 N -0.27 0.88 -4.01 2.90 -0.58 -1.26 -4.98 120.64 113.31 2ysb n GLU 8 Ca -0.03 -2.17 -0.35 0.00 -0.42 0.00 0.00 57.16 54.19 2ysb n GLU 8 Cb 0.60 -1.15 -0.07 0.00 -0.57 0.00 0.00 31.44 30.25 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 -0.90 -1.52 -4.42 1.62 2.03 -1.26 -4.80 116.55 107.29 2ysb n ASP 9 Ca 0.11 -1.01 -0.34 0.00 0.52 0.00 0.00 54.79 54.07 2ysb n ASP 9 Cb 0.69 -1.33 0.09 0.00 -0.72 0.00 0.00 41.12 39.85 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 -3.46 0.02 -4.58 -2.67 4.77 -1.26 -4.77 117.00 105.06 2ysb n LEU 10 Ca 0.10 0.44 -0.28 0.00 -0.03 0.00 0.00 56.01 56.24 2ysb n LEU 10 Cb 0.38 -1.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 2ysb n LEU 10 CO 0.79 -3.50 1.47 -2.16 -1.33 0.00 0.00 177.39 172.66 2ysb s PRO 11 N -3.17 2.51 0.39 3.23 0.04 -1.26 -4.94 135.00 131.79 2ysb s PRO 11 Ca 0.60 -0.98 -0.23 0.00 0.04 0.00 0.00 61.00 60.43 2ysb s PRO 11 Cb -0.27 -5.20 -0.14 0.00 0.04 0.00 0.00 34.50 28.93 2ysb s PRO 11 CO 0.64 -3.85 0.52 1.28 0.04 0.00 0.00 177.00 175.62 2ysb n LEU 12 N 14.30 -0.40 -4.68 -3.56 4.77 -1.26 -4.94 117.00 121.22 2ysb n LEU 12 Ca 0.44 0.94 -0.29 0.00 -0.03 0.00 0.00 56.01 57.07 2ysb n LEU 12 Cb 0.47 -1.08 0.17 0.00 -2.33 0.00 0.00 43.42 40.65 2ysb n LEU 12 CO 0.66 -2.96 0.64 -2.16 -1.33 0.00 0.00 177.39 172.24 2ysb s PRO 13 N -1.44 0.55 -0.33 3.23 0.04 -1.26 -4.94 135.00 130.86 2ysb s PRO 13 Ca 0.62 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 2ysb s PRO 13 Cb -0.65 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 2ysb s PRO 13 CO 0.59 -2.66 1.69 -1.25 0.04 0.00 0.00 177.00 175.41 2ysb s PRO 14 N -4.96 3.46 0.00 0.56 0.04 -1.26 -2.60 135.00 130.25 2ysb s PRO 14 Ca 0.65 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2ysb s PRO 14 Cb -0.18 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2ysb s PRO 14 CO 0.57 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 176.32 2ysb n GLY 15 N 5.24 1.74 3.91 0.56 0.00 -1.26 -4.94 105.19 110.44 2ysb n GLY 15 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.76 3.48 -0.18 1.61 0.52 -1.07 -2.59 118.94 118.95 2ysb s TRP 16 Ca 0.00 0.54 -0.08 0.00 0.02 0.00 0.00 56.10 56.58 2ysb s TRP 16 Cb 0.00 -2.02 0.07 0.00 -1.15 0.00 0.00 33.47 30.37 2ysb s TRP 16 CO 0.00 0.28 0.42 -1.54 0.02 0.00 0.00 176.95 176.12 2ysb s SER 17 N -3.03 -0.42 0.17 2.95 1.04 -0.61 -4.90 113.70 108.90 2ysb s SER 17 Ca 0.42 0.94 -0.10 0.00 0.48 0.00 0.00 55.95 57.69 2ysb s SER 17 Cb -0.11 0.99 -0.07 0.00 0.10 0.00 0.00 66.02 66.93 2ysb s SER 17 CO 0.28 -0.21 0.49 0.54 0.98 0.00 0.00 173.24 175.33 2ysb s VAL 18 N 1.85 4.98 -0.08 5.02 0.11 -1.26 -0.14 120.40 130.88 2ysb s VAL 18 Ca -0.07 0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 59.33 2ysb s VAL 18 Cb -0.10 -3.65 0.03 0.00 -1.53 0.00 0.00 36.38 31.13 2ysb s VAL 18 CO -0.13 0.09 0.35 -0.62 -3.33 0.00 0.00 175.10 171.46 2ysb s ASP 19 N -2.11 -0.31 -0.23 3.54 2.15 -0.29 -4.96 116.67 114.47 2ysb s ASP 19 Ca 0.41 0.46 -0.12 0.00 0.43 0.00 0.00 52.55 53.73 2ysb s ASP 19 Cb -0.13 0.55 -0.05 0.00 -0.30 0.00 0.00 42.92 43.00 2ysb s ASP 19 CO 0.21 -0.28 0.22 0.26 -0.17 0.00 0.00 175.17 175.41 2ysb s TRP 20 N -0.49 3.34 0.78 -5.34 0.51 -1.26 -1.93 118.94 114.55 2ysb s TRP 20 Ca -0.06 0.33 -0.12 0.00 -2.12 0.00 0.00 56.10 54.13 2ysb s TRP 20 Cb -0.04 -2.33 0.06 0.00 -0.81 0.00 0.00 33.47 30.36 2ysb s TRP 20 CO 0.02 0.06 1.12 0.95 -0.51 0.00 0.00 176.95 178.59 2ysb s THR 21 N 1.08 2.91 0.17 2.01 -4.23 -0.47 -4.88 115.64 112.23 2ysb s THR 21 Ca 0.10 0.29 -0.23 0.00 -1.18 0.00 0.00 61.69 60.68 2ysb s THR 21 Cb -0.14 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.62 2ysb s THR 21 CO 0.05 -0.38 1.59 0.24 -0.54 0.00 0.00 174.62 175.57 2ysb h MET 22 N -0.99 -0.21 -0.92 3.99 2.86 -1.98 0.12 114.93 117.80 2ysb h MET 22 Ca -0.47 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 57.42 2ysb h MET 22 Cb 1.28 0.05 -0.13 0.00 0.06 0.00 0.00 31.60 32.86 2ysb h MET 22 CO 0.62 -0.14 0.45 -0.09 1.06 0.00 0.00 176.91 178.81 2ysb h ARG 23 N -0.21 0.43 0.00 1.72 2.43 -2.05 -3.45 114.38 113.25 2ysb h ARG 23 Ca 0.20 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2ysb h ARG 23 Cb 0.55 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2ysb h ARG 23 CO -0.62 0.28 0.00 0.41 -1.51 0.00 0.00 179.97 178.53 2ysb n GLY 24 N -1.33 1.77 3.72 2.80 0.00 0.42 -5.14 105.19 107.45 2ysb n GLY 24 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.03 3.06 -0.32 1.61 0.52 -1.25 -4.86 118.95 117.68 2ysb s ARG 25 Ca 0.00 -0.37 -0.16 0.00 -0.52 0.00 0.00 55.73 54.69 2ysb s ARG 25 Cb 0.00 -2.87 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 2ysb s ARG 25 CO 0.00 0.71 0.39 0.21 0.02 0.00 0.00 175.30 176.64 2ysb s LYS 26 N -0.98 3.74 0.03 3.54 2.20 -1.26 -1.37 119.74 125.64 2ysb s LYS 26 Ca 0.14 -0.21 0.06 0.00 -0.36 0.00 0.00 55.97 55.61 2ysb s LYS 26 Cb -0.11 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 2ysb s LYS 26 CO 0.03 -0.46 -0.18 1.52 -0.36 0.00 0.00 175.35 175.90 2ysb s TYR 27 N 2.11 1.61 -0.20 4.03 1.13 -0.81 -4.84 117.35 120.37 2ysb s TYR 27 Ca 0.14 -0.35 -0.10 0.00 -1.41 0.00 0.00 57.07 55.36 2ysb s TYR 27 Cb -0.16 -0.98 -0.05 0.00 -1.10 0.00 0.00 41.96 39.67 2ysb s TYR 27 CO 0.11 0.05 0.12 0.71 -2.51 0.00 0.00 175.55 174.04 2ysb s TYR 28 N -0.71 3.40 -0.14 -3.49 2.02 -0.79 -1.14 117.35 116.50 2ysb s TYR 28 Ca 0.06 0.31 -0.07 0.00 -0.37 0.00 0.00 57.07 57.00 2ysb s TYR 28 Cb -0.08 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 2ysb s TYR 28 CO 0.01 0.28 0.12 0.42 -1.57 0.00 0.00 175.55 174.80 2ysb s ILE 29 N 0.37 5.29 -0.40 2.71 1.01 0.80 -0.63 121.20 130.34 2ysb s ILE 29 Ca 0.08 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.77 2ysb s ILE 29 Cb -0.11 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.10 2ysb s ILE 29 CO -0.02 0.57 0.23 -0.62 0.00 0.00 0.00 174.94 175.10 2ysb s ASP 30 N -0.61 5.61 0.43 3.58 -1.08 0.26 -1.57 116.67 123.29 2ysb s ASP 30 Ca 0.12 -1.38 0.23 0.00 -0.52 0.00 0.00 52.55 51.00 2ysb s ASP 30 Cb -0.12 -1.98 0.32 0.00 -1.46 0.00 0.00 42.92 39.69 2ysb s ASP 30 CO 0.02 -0.48 1.59 0.45 0.52 0.00 0.00 175.17 177.27 2ysb h HIS 31 N 8.38 0.00 -0.05 -5.34 3.86 -1.78 1.28 115.15 121.50 2ysb h HIS 31 Ca -0.23 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.77 2ysb h HIS 31 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2ysb h HIS 31 CO 0.60 0.02 -0.84 -0.91 0.86 0.00 0.00 177.93 177.67 2ysb h ASN 32 N 0.00 0.57 0.00 2.45 2.35 -1.92 -3.34 115.58 115.70 2ysb h ASN 32 Ca -0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2ysb h ASN 32 Cb 1.02 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2ysb h ASN 32 CO 0.00 1.19 -0.77 0.35 -1.65 0.00 0.00 177.43 176.55 2ysb n THR 33 N -3.81 0.00 -2.78 2.81 -2.24 -1.23 -5.03 114.28 102.01 2ysb n THR 33 Ca -0.06 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 2ysb n THR 33 Cb 0.77 0.71 0.04 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.42 -2.73 -3.96 3.42 3.02 0.43 -5.05 115.26 108.97 2ysb n ASN 34 Ca 0.00 -0.27 -0.09 0.00 -0.03 0.00 0.00 54.58 54.19 2ysb n ASN 34 Cb 0.14 -2.59 -0.10 0.00 -0.61 0.00 0.00 39.78 36.62 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 -3.16 0.12 0.16 3.41 -4.23 -0.56 -4.94 115.64 106.45 2ysb s THR 35 Ca 0.10 -1.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 2ysb s THR 35 Cb -0.04 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 2ysb s THR 35 CO 0.33 -0.55 0.12 0.42 -0.54 0.00 0.00 174.62 174.40 2ysb s THR 36 N -1.99 4.44 -0.07 3.99 -4.23 -1.26 0.92 115.64 117.44 2ysb s THR 36 Ca -0.11 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.30 2ysb s THR 36 Cb -0.05 -3.26 0.04 0.00 1.34 0.00 0.00 72.50 70.57 2ysb s THR 36 CO -0.02 -0.09 0.14 -1.00 -0.54 0.00 0.00 174.62 173.11 2ysb s HIS 37 N -1.72 -0.14 0.24 3.99 3.76 0.20 -4.97 115.29 116.65 2ysb s HIS 37 Ca 0.31 0.52 -0.06 0.00 -0.15 0.00 0.00 55.06 55.67 2ysb s HIS 37 Cb -0.10 -0.24 0.27 0.00 1.11 0.00 0.00 32.58 33.62 2ysb s HIS 37 CO 0.23 -0.23 1.89 -1.49 -0.85 0.00 0.00 174.74 174.29 2ysb h TRP 38 N 8.04 1.11 -2.24 1.40 -0.00 -1.89 -2.09 115.95 120.28 2ysb h TRP 38 Ca -0.22 0.03 -0.45 0.00 -0.00 0.00 0.00 58.89 58.25 2ysb h TRP 38 Cb 1.12 -0.37 0.01 0.00 -0.00 0.00 0.00 29.16 29.93 2ysb h TRP 38 CO 0.44 0.65 -0.25 -1.12 -0.00 0.00 0.00 178.44 178.16 2ysb s SER 39 N -5.94 5.96 0.35 -3.49 0.01 -1.26 -4.64 113.70 104.70 2ysb s SER 39 Ca -0.13 0.05 -0.28 0.00 1.31 0.00 0.00 55.95 56.90 2ysb s SER 39 Cb 0.18 -1.44 -0.10 0.00 0.21 0.00 0.00 66.02 64.87 2ysb s SER 39 CO 0.80 -0.50 1.33 -2.28 0.41 0.00 0.00 173.24 173.01 2ysb s HIS 40 N -2.31 2.93 0.27 2.43 2.46 -1.26 -4.79 115.29 115.02 2ysb s HIS 40 Ca 0.45 1.38 0.18 0.00 0.47 0.00 0.00 55.06 57.54 2ysb s HIS 40 Cb -0.10 -3.73 0.80 0.00 -0.13 0.00 0.00 32.58 29.43 2ysb s HIS 40 CO 0.34 -2.08 1.81 -1.00 -2.47 0.00 0.00 174.74 171.33 2ysb h PRO 41 N 3.17 0.00 0.03 2.88 0.13 -1.93 -3.05 132.00 133.24 2ysb h PRO 41 Ca -0.49 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.36 2ysb h PRO 41 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2ysb h PRO 41 CO 0.65 0.34 -1.49 -0.07 -0.23 0.00 0.00 178.00 177.20 2ysb h LEU 42 N 0.00 0.11 0.48 1.56 3.38 -1.97 -3.37 115.31 115.49 2ysb h LEU 42 Ca -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2ysb h LEU 42 Cb 0.75 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2ysb h LEU 42 CO 0.04 1.15 -0.36 -0.33 0.09 0.00 0.00 178.44 179.03 2ysb h GLU 43 N 0.02 -0.80 -4.55 1.13 5.08 -1.92 -3.46 114.58 110.08 2ysb h GLU 43 Ca -0.21 0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 57.93 2ysb h GLU 43 Cb 1.95 0.18 -0.14 0.00 0.50 0.00 0.00 28.75 31.24 2ysb h GLU 43 CO 0.11 -0.53 -0.53 -1.54 -1.00 0.00 0.00 179.01 175.53 2ysb s SER 44 N -4.50 0.48 0.00 1.42 1.04 -1.20 -5.09 113.70 105.86 2ysb s SER 44 Ca -0.17 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 54.83 2ysb s SER 44 Cb 0.05 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2ysb s SER 44 CO 0.62 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2ysb n GLY 45 N -0.37 3.37 3.56 7.32 0.00 -1.26 -4.57 105.19 113.23 2ysb n GLY 45 Ca 0.03 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 2ysb n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysb s PRO 46 N -3.81 2.79 -0.28 1.61 0.04 -1.26 -4.80 135.00 129.29 2ysb s PRO 46 Ca 0.00 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 61.66 2ysb s PRO 46 Cb 0.00 -4.34 -0.12 0.00 0.04 0.00 0.00 34.50 30.08 2ysb s PRO 46 CO 0.00 -2.53 -0.36 0.45 0.04 0.00 0.00 177.00 174.60 2ysb n SER 47 N 12.15 1.94 -4.72 6.66 2.88 -1.26 -4.95 113.62 126.32 2ysb n SER 47 Ca 0.21 0.34 -0.42 0.00 -1.33 0.00 0.00 58.87 57.66 2ysb n SER 47 Cb 0.51 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 63.13 2ysb n SER 47 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ysb s SER 48 N -7.47 6.87 0.00 -3.46 0.15 -1.26 -5.31 113.70 103.22 2ysb s SER 48 Ca -0.38 2.32 0.00 0.00 0.70 0.00 0.00 55.95 58.58 2ysb s SER 48 Cb 0.15 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2ysb s SER 48 CO 0.48 -0.60 0.07 0.61 1.20 0.00 0.00 173.24 175.01