#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysb h SER 2 N 0.00 0.00 -3.28 1.61 0.87 -2.12 -3.44 113.55 107.20 2ysb h SER 2 Ca 0.00 -0.20 -0.74 0.00 -1.23 0.00 0.00 61.79 59.62 2ysb h SER 2 Cb 0.00 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 61.73 2ysb h SER 2 CO 0.00 0.66 -0.31 -0.55 -0.53 0.00 0.00 176.83 176.10 2ysb s SER 3 N -5.74 6.15 0.00 6.23 0.15 -1.26 -4.92 113.70 114.31 2ysb s SER 3 Ca -0.06 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.20 2ysb s SER 3 Cb -0.00 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2ysb s SER 3 CO 0.17 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2ysb n GLY 4 N 5.21 0.09 3.85 9.45 0.00 -1.26 -5.04 105.19 117.49 2ysb n GLY 4 Ca -0.13 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 -3.55 -0.09 1.61 7.64 -1.26 -4.88 113.62 113.08 2ysb n SER 5 Ca 0.00 -0.80 -0.14 0.00 1.01 0.00 0.00 58.87 58.95 2ysb n SER 5 Cb 0.00 -3.92 -0.14 0.00 -1.01 0.00 0.00 64.21 59.14 2ysb n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2ysb n SER 6 N -2.91 0.96 0.00 6.43 3.41 -1.26 -5.09 113.62 115.17 2ysb n SER 6 Ca -0.08 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2ysb n SER 6 Cb 0.58 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2ysb n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysb n GLY 7 N 1.92 0.84 1.41 5.00 0.00 -1.26 -4.94 105.19 108.16 2ysb n GLY 7 Ca -0.36 -0.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 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 1.85 2.57 -3.61 1.61 1.02 -1.26 -4.87 120.64 117.95 2ysb n GLU 8 Ca 0.00 -1.68 -0.26 0.00 -0.02 0.00 0.00 57.16 55.20 2ysb n GLU 8 Cb 0.00 -1.81 -0.05 0.00 -0.02 0.00 0.00 31.44 29.56 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2ysb n ASP 9 N 0.06 -1.40 -4.37 1.62 -0.08 -1.26 -4.80 116.55 106.32 2ysb n ASP 9 Ca 0.22 -0.61 -0.35 0.00 -1.51 0.00 0.00 54.79 52.54 2ysb n ASP 9 Cb 0.91 -1.26 0.08 0.00 2.34 0.00 0.00 41.12 43.19 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 -3.23 -0.81 -4.57 -2.67 4.77 -1.26 -4.76 117.00 104.47 2ysb n LEU 10 Ca 0.07 0.42 -0.27 0.00 -0.03 0.00 0.00 56.01 56.20 2ysb n LEU 10 Cb 0.42 -1.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.32 2ysb n LEU 10 CO 0.59 -3.83 1.43 -2.16 -1.33 0.00 0.00 177.39 172.09 2ysb s PRO 11 N -2.94 2.51 0.37 3.23 0.04 -1.26 -4.94 135.00 132.00 2ysb s PRO 11 Ca 0.58 -0.78 -0.24 0.00 0.04 0.00 0.00 61.00 60.60 2ysb s PRO 11 Cb -0.27 -5.16 -0.14 0.00 0.04 0.00 0.00 34.50 28.97 2ysb s PRO 11 CO 0.66 -3.73 0.54 1.28 0.04 0.00 0.00 177.00 175.79 2ysb n LEU 12 N 14.25 -0.36 -4.68 -3.56 4.77 -1.26 -4.94 117.00 121.22 2ysb n LEU 12 Ca 0.43 0.97 -0.29 0.00 -0.03 0.00 0.00 56.01 57.09 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 0.64 -2.88 0.65 -2.16 -1.33 0.00 0.00 177.39 172.31 2ysb s PRO 13 N -1.41 0.59 -0.43 3.23 0.04 -1.26 -4.93 135.00 130.83 2ysb s PRO 13 Ca 0.62 0.59 -0.28 0.00 0.04 0.00 0.00 61.00 61.97 2ysb s PRO 13 Cb -0.67 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 2ysb s PRO 13 CO 0.59 -2.64 1.75 -1.25 0.04 0.00 0.00 177.00 175.49 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 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.79 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 0.00 177.00 175.95 2ysb n GLY 15 N 5.45 1.51 3.93 0.56 0.00 -1.26 -4.94 105.19 110.44 2ysb n GLY 15 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.26 3.50 -0.21 1.61 0.52 -1.07 -2.44 118.94 119.59 2ysb s TRP 16 Ca 0.00 0.44 -0.10 0.00 0.02 0.00 0.00 56.10 56.46 2ysb s TRP 16 Cb 0.00 -1.96 0.08 0.00 -1.15 0.00 0.00 33.47 30.44 2ysb s TRP 16 CO 0.00 0.14 0.49 -1.12 0.02 0.00 0.00 176.95 176.48 2ysb s SER 17 N -3.75 -0.58 0.13 2.95 0.01 -0.64 -4.90 113.70 106.91 2ysb s SER 17 Ca 0.41 1.10 -0.12 0.00 1.31 0.00 0.00 55.95 58.65 2ysb s SER 17 Cb -0.10 1.19 -0.06 0.00 0.21 0.00 0.00 66.02 67.25 2ysb s SER 17 CO 0.34 -0.22 0.49 0.54 0.41 0.00 0.00 173.24 174.81 2ysb s VAL 18 N 1.92 4.96 -0.14 3.43 0.11 -1.26 -0.25 120.40 129.16 2ysb s VAL 18 Ca -0.07 0.62 -0.13 0.00 -2.93 0.00 0.00 61.98 59.47 2ysb s VAL 18 Cb -0.09 -3.68 0.04 0.00 -1.53 0.00 0.00 36.38 31.11 2ysb s VAL 18 CO -0.15 0.22 0.38 -1.81 -3.33 0.00 0.00 175.10 170.41 2ysb s ASP 19 N -1.83 -0.41 -0.18 3.54 1.01 -0.24 -4.97 116.67 113.59 2ysb s ASP 19 Ca 0.37 0.77 -0.14 0.00 0.71 0.00 0.00 52.55 54.27 2ysb s ASP 19 Cb -0.14 0.77 -0.04 0.00 1.01 0.00 0.00 42.92 44.52 2ysb s ASP 19 CO 0.19 -0.14 0.31 0.26 0.21 0.00 0.00 175.17 176.00 2ysb s TRP 20 N 0.32 3.43 0.76 4.23 0.51 -1.26 -1.91 118.94 125.02 2ysb s TRP 20 Ca -0.01 0.57 -0.10 0.00 -2.12 0.00 0.00 56.10 54.43 2ysb s TRP 20 Cb -0.03 -2.38 0.06 0.00 -0.81 0.00 0.00 33.47 30.31 2ysb s TRP 20 CO -0.01 0.16 1.12 0.95 -0.51 0.00 0.00 176.95 178.66 2ysb s THR 21 N 0.72 2.38 0.13 2.01 -4.23 -0.40 -4.89 115.64 111.37 2ysb s THR 21 Ca 0.16 0.02 -0.31 0.00 -1.18 0.00 0.00 61.69 60.38 2ysb s THR 21 Cb -0.13 -3.10 -0.08 0.00 1.34 0.00 0.00 72.50 70.53 2ysb s THR 21 CO 0.05 -0.13 1.56 -0.03 -0.54 0.00 0.00 174.62 175.53 2ysb h MET 22 N -0.85 -0.41 -0.97 3.99 4.05 -1.98 0.69 114.93 119.45 2ysb h MET 22 Ca -0.45 0.03 0.31 0.00 -0.28 0.00 0.00 59.70 59.30 2ysb h MET 22 Cb 1.31 0.09 -0.15 0.00 -0.80 0.00 0.00 31.60 32.05 2ysb h MET 22 CO 0.64 -0.27 0.44 -0.09 0.23 0.00 0.00 176.91 177.86 2ysb h ARG 23 N -0.42 0.23 0.00 0.39 9.65 -2.05 -3.44 114.38 118.74 2ysb h ARG 23 Ca 0.08 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2ysb h ARG 23 Cb 0.61 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 2ysb h ARG 23 CO -0.55 0.15 0.00 0.41 2.80 0.00 0.00 179.97 182.78 2ysb n GLY 24 N -1.32 1.99 3.83 2.80 0.00 0.23 -5.13 105.19 107.59 2ysb n GLY 24 Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.04 3.41 -0.33 1.61 0.52 -1.25 -4.85 118.95 118.02 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 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 2ysb s ARG 25 CO 0.00 0.72 0.40 0.21 0.02 0.00 0.00 175.30 176.65 2ysb s LYS 26 N -0.88 3.68 0.05 3.54 2.20 -1.26 -1.28 119.74 125.79 2ysb s LYS 26 Ca 0.14 -0.25 0.08 0.00 -0.36 0.00 0.00 55.97 55.58 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 0.03 -0.50 -0.23 1.52 -0.36 0.00 0.00 175.35 175.82 2ysb s TYR 27 N 2.12 1.98 -0.20 4.03 1.13 -0.80 -4.82 117.35 120.78 2ysb s TYR 27 Ca 0.14 -0.39 -0.08 0.00 -1.41 0.00 0.00 57.07 55.34 2ysb s TYR 27 Cb -0.16 -1.18 -0.04 0.00 -1.10 0.00 0.00 41.96 39.48 2ysb s TYR 27 CO 0.12 0.12 0.07 0.71 -2.51 0.00 0.00 175.55 174.06 2ysb s TYR 28 N -0.83 3.21 -0.14 -3.49 2.02 -0.68 -1.08 117.35 116.36 2ysb s TYR 28 Ca 0.09 -0.03 -0.10 0.00 -0.37 0.00 0.00 57.07 56.66 2ysb s TYR 28 Cb -0.09 -2.14 -0.05 0.00 -0.40 0.00 0.00 41.96 39.28 2ysb s TYR 28 CO 0.02 0.01 0.20 0.42 -1.57 0.00 0.00 175.55 174.63 2ysb s ILE 29 N 0.76 5.39 -0.40 2.71 1.01 0.65 -0.87 121.20 130.44 2ysb s ILE 29 Ca 0.04 0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.92 2ysb s ILE 29 Cb -0.13 -3.50 0.05 0.00 0.01 0.00 0.00 42.46 38.88 2ysb s ILE 29 CO 0.02 0.52 0.25 -0.62 0.00 0.00 0.00 174.94 175.11 2ysb s ASP 30 N -0.34 5.79 0.40 3.58 -1.08 0.20 -1.63 116.67 123.59 2ysb s ASP 30 Ca 0.14 -1.16 0.22 0.00 -0.52 0.00 0.00 52.55 51.23 2ysb s ASP 30 Cb -0.12 -2.04 0.28 0.00 -1.46 0.00 0.00 42.92 39.57 2ysb s ASP 30 CO 0.03 -0.46 1.53 0.45 0.52 0.00 0.00 175.17 177.24 2ysb h HIS 31 N 8.48 0.00 -0.05 -5.34 3.86 -1.77 1.18 115.15 121.52 2ysb h HIS 31 Ca -0.25 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.73 2ysb h HIS 31 Cb 1.10 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.58 2ysb h HIS 31 CO 0.59 0.04 -0.89 -0.91 0.86 0.00 0.00 177.93 177.61 2ysb h ASN 32 N 0.00 0.71 0.00 2.45 2.35 -1.92 -3.34 115.58 115.83 2ysb h ASN 32 Ca -0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2ysb h ASN 32 Cb 1.03 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2ysb h ASN 32 CO 0.00 1.32 -0.90 0.35 -1.65 0.00 0.00 177.43 176.55 2ysb n THR 33 N -3.83 0.00 -2.73 2.81 -2.24 -1.24 -5.03 114.28 102.02 2ysb n THR 33 Ca -0.08 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.37 2ysb n THR 33 Cb 0.80 0.65 0.04 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.50 -2.16 -3.96 3.42 2.85 0.40 -5.06 115.26 109.25 2ysb n ASN 34 Ca -0.00 -0.30 -0.09 0.00 -0.11 0.00 0.00 54.58 54.07 2ysb n ASN 34 Cb 0.18 -2.79 -0.10 0.00 1.24 0.00 0.00 39.78 38.31 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2ysb s THR 35 N -3.18 0.13 0.11 -0.44 -4.23 -0.68 -4.94 115.64 102.42 2ysb s THR 35 Ca 0.02 -1.07 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 2ysb s THR 35 Cb -0.01 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.10 2ysb s THR 35 CO 0.36 -0.59 0.14 0.42 -0.54 0.00 0.00 174.62 174.41 2ysb s THR 36 N -2.22 4.74 -0.11 3.99 -4.23 -1.26 0.62 115.64 117.17 2ysb s THR 36 Ca -0.09 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 2ysb s THR 36 Cb -0.04 -3.36 0.06 0.00 1.34 0.00 0.00 72.50 70.50 2ysb s THR 36 CO -0.03 0.02 0.23 -1.00 -0.54 0.00 0.00 174.62 173.30 2ysb s HIS 37 N -1.57 -0.33 0.23 3.99 3.76 -0.05 -4.97 115.29 116.35 2ysb s HIS 37 Ca 0.31 0.82 -0.07 0.00 -0.15 0.00 0.00 55.06 55.97 2ysb s HIS 37 Cb -0.11 -0.08 0.22 0.00 1.11 0.00 0.00 32.58 33.71 2ysb s HIS 37 CO 0.24 -0.30 1.89 -1.49 -0.85 0.00 0.00 174.74 174.23 2ysb h TRP 38 N 8.07 1.19 -2.28 1.40 -0.00 -1.88 -1.82 115.95 120.64 2ysb h TRP 38 Ca -0.20 0.01 -0.45 0.00 -0.00 0.00 0.00 58.89 58.25 2ysb h TRP 38 Cb 1.12 -0.40 0.02 0.00 -0.00 0.00 0.00 29.16 29.91 2ysb h TRP 38 CO 0.39 0.78 -0.19 -1.12 -0.00 0.00 0.00 178.44 178.30 2ysb s SER 39 N -6.11 5.81 0.32 -3.49 0.01 -1.26 -4.63 113.70 104.35 2ysb s SER 39 Ca -0.13 0.03 -0.28 0.00 1.31 0.00 0.00 55.95 56.88 2ysb s SER 39 Cb 0.17 -1.29 -0.10 0.00 0.21 0.00 0.00 66.02 65.01 2ysb s SER 39 CO 0.82 -0.65 1.20 -2.28 0.41 0.00 0.00 173.24 172.74 2ysb s HIS 40 N -2.42 3.26 0.20 2.43 2.46 -1.26 -4.79 115.29 115.17 2ysb s HIS 40 Ca 0.48 1.55 0.26 0.00 0.47 0.00 0.00 55.06 57.82 2ysb s HIS 40 Cb -0.10 -3.48 1.10 0.00 -0.13 0.00 0.00 32.58 29.97 2ysb s HIS 40 CO 0.35 -1.26 1.90 -1.00 -2.47 0.00 0.00 174.74 172.26 2ysb h PRO 41 N 3.43 0.00 0.06 2.88 0.13 -1.93 -2.95 132.00 133.62 2ysb h PRO 41 Ca -0.48 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.37 2ysb h PRO 41 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2ysb h PRO 41 CO 0.66 0.18 -1.49 -0.07 -0.23 0.00 0.00 178.00 177.05 2ysb h LEU 42 N 0.00 0.21 0.68 1.56 3.38 -1.97 -3.38 115.31 115.78 2ysb h LEU 42 Ca -0.00 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2ysb h LEU 42 Cb 0.63 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2ysb h LEU 42 CO 0.02 1.26 -0.33 -0.33 0.09 0.00 0.00 178.44 179.16 2ysb h GLU 43 N 0.04 -0.88 -5.73 1.13 4.39 -1.92 -3.40 114.58 108.21 2ysb h GLU 43 Ca -0.21 0.06 -0.63 0.00 0.34 0.00 0.00 59.36 58.92 2ysb h GLU 43 Cb 1.96 0.20 -0.13 0.00 -0.10 0.00 0.00 28.75 30.68 2ysb h GLU 43 CO 0.13 -0.55 0.33 0.45 -1.16 0.00 0.00 179.01 178.21 2ysb s SER 44 N -4.48 6.40 -0.42 1.42 0.15 -1.13 -4.90 113.70 110.75 2ysb s SER 44 Ca -0.16 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.35 2ysb s SER 44 Cb 0.02 -2.38 0.24 0.00 -1.71 0.00 0.00 66.02 62.20 2ysb s SER 44 CO 0.53 -0.91 1.02 0.61 1.20 0.00 0.00 173.24 175.69 2ysb n GLY 45 N 5.00 -0.93 3.64 9.45 0.00 -1.26 -4.81 105.19 116.27 2ysb n GLY 45 Ca 0.02 0.65 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 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 0.54 3.97 -0.32 1.61 0.04 -1.26 -4.96 135.00 134.62 2ysb s PRO 46 Ca 0.28 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.84 2ysb s PRO 46 Cb 0.18 -3.98 -0.00 0.00 0.04 0.00 0.00 34.50 30.73 2ysb s PRO 46 CO -0.14 -1.08 1.43 -1.12 0.04 0.00 0.00 177.00 176.12 2ysb s SER 47 N 3.65 6.46 -0.10 6.66 0.01 -1.26 -4.89 113.70 124.23 2ysb s SER 47 Ca 0.69 1.17 -0.25 0.00 1.31 0.00 0.00 55.95 58.87 2ysb s SER 47 Cb -0.27 -2.54 -0.28 0.00 0.21 0.00 0.00 66.02 63.14 2ysb s SER 47 CO 0.27 -1.27 0.81 -1.28 0.41 0.00 0.00 173.24 172.19 2ysb h SER 48 N 10.25 0.23 0.00 2.44 0.87 -2.08 -3.58 113.55 121.68 2ysb h SER 48 Ca -0.29 -0.97 0.00 0.00 -1.23 0.00 0.00 61.79 59.31 2ysb h SER 48 Cb 1.12 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2ysb h SER 48 CO 1.04 1.21 0.00 0.61 -0.53 0.00 0.00 176.83 179.16