#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 5.59 -1.22 1.61 1.04 -1.26 -4.43 113.70 115.03 2ysb s SER 2 Ca 0.00 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.33 2ysb s SER 2 Cb 0.00 -2.00 0.01 0.00 0.10 0.00 0.00 66.02 64.13 2ysb s SER 2 CO 0.00 0.04 1.06 -0.24 0.98 0.00 0.00 173.24 175.08 2ysb n SER 3 N 4.43 -5.16 0.00 7.02 2.88 -1.26 -4.78 113.62 116.75 2ysb n SER 3 Ca -0.16 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.87 2ysb n SER 3 Cb 0.52 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 2ysb n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysb n GLY 4 N -1.73 0.59 3.56 0.46 0.00 -1.26 -5.14 105.19 101.67 2ysb n GLY 4 Ca -0.05 -1.48 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.24 -0.20 1.61 0.15 -1.26 -4.74 113.70 105.02 2ysb s SER 5 Ca 0.00 0.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.58 2ysb s SER 5 Cb 0.00 0.25 -0.20 0.00 -1.71 0.00 0.00 66.02 64.36 2ysb s SER 5 CO 0.00 -0.39 0.05 -1.20 1.20 0.00 0.00 173.24 172.90 2ysb n SER 6 N -0.09 2.00 0.00 5.45 7.64 -1.26 -5.06 113.62 122.30 2ysb n SER 6 Ca -0.04 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2ysb n SER 6 Cb 0.60 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2ysb n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysb n GLY 7 N 1.78 2.98 0.00 0.23 0.00 -1.26 -5.04 105.19 103.89 2ysb n GLY 7 Ca -0.40 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2ysb n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ysb n GLU 8 N -0.03 -0.36 -3.73 1.61 0.28 -1.26 -5.00 120.64 112.15 2ysb n GLU 8 Ca 0.00 -0.46 -0.29 0.00 -0.16 0.00 0.00 57.16 56.25 2ysb n GLU 8 Cb 0.00 -0.85 -0.06 0.00 1.43 0.00 0.00 31.44 31.95 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ysb n ASP 9 N -0.04 -0.82 -3.57 -1.84 2.03 -1.26 -4.74 116.55 106.30 2ysb n ASP 9 Ca 0.00 -0.91 -0.32 0.00 0.52 0.00 0.00 54.79 54.08 2ysb n ASP 9 Cb 0.10 -1.15 0.02 0.00 -0.72 0.00 0.00 41.12 39.38 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 -3.20 -4.49 -4.58 -2.67 4.77 -1.26 -4.64 117.00 100.93 2ysb n LEU 10 Ca 0.01 0.32 -0.28 0.00 -0.03 0.00 0.00 56.01 56.02 2ysb n LEU 10 Cb 0.37 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.70 2ysb n LEU 10 CO 0.68 -4.87 1.50 -2.16 -1.33 0.00 0.00 177.39 171.21 2ysb s PRO 11 N -1.42 2.49 0.35 3.23 0.04 -1.26 -4.94 135.00 133.50 2ysb s PRO 11 Ca 0.41 -1.14 -0.24 0.00 0.04 0.00 0.00 61.00 60.07 2ysb s PRO 11 Cb -0.26 -5.24 -0.15 0.00 0.04 0.00 0.00 34.50 28.89 2ysb s PRO 11 CO 0.67 -3.98 0.39 1.28 0.04 0.00 0.00 177.00 175.40 2ysb n LEU 12 N 14.41 -1.31 -4.68 -3.56 4.77 -1.26 -4.93 117.00 120.44 2ysb n LEU 12 Ca 0.45 0.94 -0.29 0.00 -0.03 0.00 0.00 56.01 57.08 2ysb n LEU 12 Cb 0.47 -0.99 0.17 0.00 -2.33 0.00 0.00 43.42 40.73 2ysb n LEU 12 CO 0.67 -3.32 0.64 -2.16 -1.33 0.00 0.00 177.39 171.89 2ysb s PRO 13 N -1.21 0.49 -0.51 3.23 0.04 -1.26 -4.92 135.00 130.86 2ysb s PRO 13 Ca 0.62 0.54 -0.27 0.00 0.04 0.00 0.00 61.00 61.93 2ysb s PRO 13 Cb -0.71 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2ysb s PRO 13 CO 0.59 -2.70 1.80 -1.25 0.04 0.00 0.00 177.00 175.49 2ysb s PRO 14 N -4.96 2.92 0.00 0.56 0.04 -1.26 -2.49 135.00 129.81 2ysb s PRO 14 Ca 0.65 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2ysb s PRO 14 Cb -0.18 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2ysb s PRO 14 CO 0.57 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.66 2ysb n GLY 15 N 5.56 0.56 3.64 0.56 0.00 -1.26 -4.89 105.19 109.36 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 -1.52 2.85 -0.15 1.61 0.52 -1.04 -0.37 118.94 120.84 2ysb s TRP 16 Ca 0.00 -0.11 -0.07 0.00 0.02 0.00 0.00 56.10 55.94 2ysb s TRP 16 Cb 0.00 -1.45 0.06 0.00 -1.15 0.00 0.00 33.47 30.93 2ysb s TRP 16 CO 0.00 0.47 0.34 -1.54 0.02 0.00 0.00 176.95 176.24 2ysb s SER 17 N -2.46 -0.23 0.12 2.95 1.04 -0.59 -4.87 113.70 109.67 2ysb s SER 17 Ca 0.25 0.75 -0.12 0.00 0.48 0.00 0.00 55.95 57.30 2ysb s SER 17 Cb -0.11 0.75 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 2ysb s SER 17 CO 0.17 -0.20 0.49 0.54 0.98 0.00 0.00 173.24 175.21 2ysb s VAL 18 N 1.77 4.96 -0.15 5.02 0.11 -1.26 -0.24 120.40 130.61 2ysb s VAL 18 Ca -0.06 0.65 -0.14 0.00 -2.93 0.00 0.00 61.98 59.50 2ysb s VAL 18 Cb -0.10 -3.69 0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2ysb s VAL 18 CO -0.11 0.24 0.40 -1.81 -3.33 0.00 0.00 175.10 170.49 2ysb s ASP 19 N -1.78 -0.42 -0.18 3.54 1.11 -0.28 -4.98 116.67 113.69 2ysb s ASP 19 Ca 0.36 0.80 -0.14 0.00 0.18 0.00 0.00 52.55 53.76 2ysb s ASP 19 Cb -0.14 0.82 -0.04 0.00 1.07 0.00 0.00 42.92 44.62 2ysb s ASP 19 CO 0.19 -0.14 0.30 0.26 1.18 0.00 0.00 175.17 176.96 2ysb s TRP 20 N 0.21 3.42 0.73 4.23 0.51 -1.26 -1.78 118.94 125.00 2ysb s TRP 20 Ca -0.00 0.55 -0.09 0.00 -2.12 0.00 0.00 56.10 54.44 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 1.07 0.95 -0.51 0.00 0.00 176.95 178.62 2ysb s THR 21 N 0.75 2.42 0.12 2.01 -4.23 -0.41 -4.89 115.64 111.41 2ysb s THR 21 Ca 0.16 -0.08 -0.28 0.00 -1.18 0.00 0.00 61.69 60.31 2ysb s THR 21 Cb -0.13 -3.09 -0.09 0.00 1.34 0.00 0.00 72.50 70.53 2ysb s THR 21 CO 0.05 -0.10 1.47 0.24 -0.54 0.00 0.00 174.62 175.74 2ysb h MET 22 N -0.73 -0.26 -1.00 3.99 2.86 -1.98 0.22 114.93 118.03 2ysb h MET 22 Ca -0.45 0.02 0.36 0.00 -2.06 0.00 0.00 59.70 57.57 2ysb h MET 22 Cb 1.31 0.06 -0.16 0.00 0.06 0.00 0.00 31.60 32.87 2ysb h MET 22 CO 0.63 -0.17 0.55 0.00 1.06 0.00 0.00 176.91 178.97 2ysb h ARG 23 N -0.27 0.18 0.00 1.72 3.08 -2.05 -3.44 114.38 113.60 2ysb h ARG 23 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2ysb h ARG 23 Cb 0.48 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2ysb h ARG 23 CO -0.58 0.12 0.00 0.41 -1.07 0.00 0.00 179.97 178.84 2ysb n GLY 24 N -1.28 1.92 3.86 0.04 0.00 0.77 -5.13 105.19 105.37 2ysb n GLY 24 Ca 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.08 3.65 -0.36 1.61 0.52 -1.25 -4.83 118.95 118.20 2ysb s ARG 25 Ca 0.00 0.07 -0.17 0.00 -0.52 0.00 0.00 55.73 55.12 2ysb s ARG 25 Cb 0.00 -3.21 -0.00 0.00 0.52 0.00 0.00 34.95 32.26 2ysb s ARG 25 CO 0.00 0.72 0.43 0.21 0.02 0.00 0.00 175.30 176.68 2ysb s LYS 26 N -0.98 3.47 0.03 3.54 2.20 -1.26 -1.28 119.74 125.46 2ysb s LYS 26 Ca 0.18 -0.42 0.09 0.00 -0.36 0.00 0.00 55.97 55.46 2ysb s LYS 26 Cb -0.14 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 2ysb s LYS 26 CO 0.07 -0.64 -0.25 1.52 -0.36 0.00 0.00 175.35 175.69 2ysb s TYR 27 N 2.16 2.36 -0.21 4.03 1.13 -0.73 -4.81 117.35 121.28 2ysb s TYR 27 Ca 0.14 -0.39 -0.08 0.00 -1.41 0.00 0.00 57.07 55.33 2ysb s TYR 27 Cb -0.16 -1.42 -0.04 0.00 -1.10 0.00 0.00 41.96 39.23 2ysb s TYR 27 CO 0.13 0.12 0.08 0.71 -2.51 0.00 0.00 175.55 174.08 2ysb s TYR 28 N -0.79 3.21 -0.10 -3.49 2.02 -0.12 -1.13 117.35 116.95 2ysb s TYR 28 Ca 0.12 -0.02 -0.12 0.00 -0.37 0.00 0.00 57.07 56.68 2ysb s TYR 28 Cb -0.10 -2.16 -0.05 0.00 -0.40 0.00 0.00 41.96 39.25 2ysb s TYR 28 CO 0.02 0.00 0.27 0.42 -1.57 0.00 0.00 175.55 174.69 2ysb s ILE 29 N 0.83 5.30 -0.38 2.71 1.01 0.67 -0.18 121.20 131.17 2ysb s ILE 29 Ca 0.04 0.50 -0.10 0.00 0.00 0.00 0.00 60.65 61.09 2ysb s ILE 29 Cb -0.13 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 38.80 2ysb s ILE 29 CO 0.02 0.52 0.20 -1.81 0.00 0.00 0.00 174.94 173.88 2ysb s ASP 30 N -0.48 5.68 0.33 3.58 1.01 0.29 -1.54 116.67 125.54 2ysb s ASP 30 Ca 0.18 -1.08 0.19 0.00 0.71 0.00 0.00 52.55 52.55 2ysb s ASP 30 Cb -0.14 -2.00 0.17 0.00 1.01 0.00 0.00 42.92 41.96 2ysb s ASP 30 CO 0.06 -0.40 1.45 0.45 0.21 0.00 0.00 175.17 176.94 2ysb h HIS 31 N 8.41 0.00 -0.06 4.23 3.86 -0.99 1.29 115.15 131.90 2ysb h HIS 31 Ca -0.25 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.78 2ysb h HIS 31 Cb 1.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 2ysb h HIS 31 CO 0.58 0.24 -0.73 -0.91 0.86 0.00 0.00 177.93 177.97 2ysb h ASN 32 N 0.00 0.40 0.00 2.45 2.35 -1.90 -3.32 115.58 115.55 2ysb h ASN 32 Ca -0.01 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2ysb h ASN 32 Cb 1.20 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2ysb h ASN 32 CO 0.03 1.00 -0.75 0.35 -1.65 0.00 0.00 177.43 176.41 2ysb n THR 33 N -3.81 0.00 -2.88 2.81 -2.24 -1.23 -5.02 114.28 101.90 2ysb n THR 33 Ca -0.04 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 2ysb n THR 33 Cb 0.71 0.70 0.04 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.41 -3.25 -3.94 3.42 5.15 0.43 -5.05 115.26 110.61 2ysb n ASN 34 Ca 0.00 -0.27 -0.10 0.00 -0.60 0.00 0.00 54.58 53.62 2ysb n ASN 34 Cb 0.12 -2.64 -0.11 0.00 -0.53 0.00 0.00 39.78 36.63 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 -3.16 0.10 0.32 -0.44 -4.23 -0.51 -4.93 115.64 102.79 2ysb s THR 35 Ca 0.17 -0.82 0.06 0.00 -1.18 0.00 0.00 61.69 59.91 2ysb s THR 35 Cb -0.07 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.44 2ysb s THR 35 CO 0.34 -0.45 0.46 0.42 -0.54 0.00 0.00 174.62 174.85 2ysb s THR 36 N -1.41 4.35 -0.18 3.99 -4.23 -1.26 0.10 115.64 117.00 2ysb s THR 36 Ca -0.15 -0.95 -0.12 0.00 -1.18 0.00 0.00 61.69 59.29 2ysb s THR 36 Cb -0.09 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.28 2ysb s THR 36 CO -0.00 -0.21 0.45 -1.00 -0.54 0.00 0.00 174.62 173.32 2ysb s HIS 37 N -2.16 -0.62 0.28 3.99 3.76 0.75 -4.92 115.29 116.37 2ysb s HIS 37 Ca 0.43 1.36 0.10 0.00 -0.15 0.00 0.00 55.06 56.79 2ysb s HIS 37 Cb -0.09 0.28 0.39 0.00 1.11 0.00 0.00 32.58 34.27 2ysb s HIS 37 CO 0.31 -0.33 1.64 -1.49 -0.85 0.00 0.00 174.74 174.02 2ysb h TRP 38 N 6.60 0.05 -1.90 1.40 -0.00 -1.87 -0.28 115.95 119.95 2ysb h TRP 38 Ca -0.33 -0.02 -0.47 0.00 -0.00 0.00 0.00 58.89 58.07 2ysb h TRP 38 Cb 1.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 30.32 2ysb h TRP 38 CO 0.27 0.61 -0.40 -1.12 -0.00 0.00 0.00 178.44 177.80 2ysb s SER 39 N -6.87 5.77 0.30 -3.49 0.01 -1.26 -4.75 113.70 103.40 2ysb s SER 39 Ca -0.02 -0.26 -0.29 0.00 1.31 0.00 0.00 55.95 56.70 2ysb s SER 39 Cb 0.13 -1.25 -0.10 0.00 0.21 0.00 0.00 66.02 65.01 2ysb s SER 39 CO 0.76 -0.33 1.11 -2.28 0.41 0.00 0.00 173.24 172.92 2ysb s HIS 40 N -2.19 3.51 0.29 2.43 2.46 -1.26 -4.78 115.29 115.75 2ysb s HIS 40 Ca 0.41 1.68 0.15 0.00 0.47 0.00 0.00 55.06 57.77 2ysb s HIS 40 Cb -0.08 -3.30 0.69 0.00 -0.13 0.00 0.00 32.58 29.76 2ysb s HIS 40 CO 0.29 -0.65 1.77 -1.00 -2.47 0.00 0.00 174.74 172.68 2ysb h PRO 41 N 3.64 0.00 0.00 2.88 0.13 -1.95 -3.04 132.00 133.66 2ysb h PRO 41 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 2ysb h PRO 41 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2ysb h PRO 41 CO 0.66 0.41 -1.33 -0.07 -0.23 0.00 0.00 178.00 177.44 2ysb h LEU 42 N 0.00 0.00 -0.29 1.56 3.38 -1.96 -3.38 115.31 114.63 2ysb h LEU 42 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2ysb h LEU 42 Cb 0.80 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 2ysb h LEU 42 CO 0.05 0.94 -0.38 -0.33 0.09 0.00 0.00 178.44 178.82 2ysb h GLU 43 N 0.00 -0.25 -7.29 1.13 4.39 -1.93 -3.41 114.58 107.22 2ysb h GLU 43 Ca -0.15 0.02 -0.51 0.00 0.34 0.00 0.00 59.36 59.06 2ysb h GLU 43 Cb 1.85 0.06 0.11 0.00 -0.10 0.00 0.00 28.75 30.67 2ysb h GLU 43 CO 0.10 -0.17 0.34 0.45 -1.16 0.00 0.00 179.01 178.57 2ysb s SER 44 N -4.29 4.89 -0.17 1.42 0.15 -1.25 -5.05 113.70 109.39 2ysb s SER 44 Ca -0.10 1.80 -0.35 0.00 0.70 0.00 0.00 55.95 58.01 2ysb s SER 44 Cb 0.06 -2.52 0.15 0.00 -1.71 0.00 0.00 66.02 62.00 2ysb s SER 44 CO 0.41 -1.78 1.42 -0.83 1.20 0.00 0.00 173.24 173.67 2ysb s GLY 45 N -3.32 -0.39 0.00 9.45 0.00 -1.26 -4.99 107.32 106.82 2ysb s GLY 45 Ca 0.61 1.34 0.13 0.00 0.00 0.00 0.00 44.72 46.80 2ysb s GLY 45 CO 0.52 0.36 1.19 -1.55 0.00 0.00 0.00 173.10 173.62 2ysb n PRO 46 N -0.31 0.49 -3.19 2.90 -0.04 -1.26 -4.68 135.00 128.91 2ysb n PRO 46 Ca -0.04 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.02 2ysb n PRO 46 Cb 0.61 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 2ysb n PRO 46 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ysb s SER 47 N -1.92 6.55 -0.09 3.54 0.01 -1.26 -5.05 113.70 115.49 2ysb s SER 47 Ca 0.19 0.67 -0.11 0.00 1.31 0.00 0.00 55.95 58.00 2ysb s SER 47 Cb 0.09 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 64.04 2ysb s SER 47 CO 0.15 -0.26 0.30 -0.55 0.41 0.00 0.00 173.24 173.29 2ysb s SER 48 N 1.33 -0.28 0.00 2.44 0.15 -1.26 -5.13 113.70 110.95 2ysb s SER 48 Ca 0.24 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.37 2ysb s SER 48 Cb -0.16 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2ysb s SER 48 CO 0.09 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.96