#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 -0.64 0.01 1.61 0.15 -1.26 -5.06 113.70 108.51 2ysb s SER 2 Ca 0.00 0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.87 2ysb s SER 2 Cb 0.00 1.66 -0.11 0.00 -1.71 0.00 0.00 66.02 65.86 2ysb s SER 2 CO 0.00 -0.29 1.00 0.28 1.20 0.00 0.00 173.24 175.43 2ysb h SER 3 N 8.08 -0.62 0.00 5.45 0.02 -2.12 -3.49 113.55 120.87 2ysb h SER 3 Ca -0.17 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2ysb h SER 3 Cb 1.16 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2ysb h SER 3 CO 0.25 -0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.23 2ysb n GLY 4 N -0.49 0.86 0.07 -3.77 0.00 -1.26 -5.09 105.19 95.51 2ysb n GLY 4 Ca -0.09 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 2ysb n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ysb h SER 5 N 0.00 0.00 -3.21 1.61 4.64 -1.98 -3.46 113.55 111.15 2ysb h SER 5 Ca 0.00 -0.27 -0.59 0.00 -0.47 0.00 0.00 61.79 60.47 2ysb h SER 5 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 2ysb h SER 5 CO 0.00 0.81 -0.18 -0.94 -0.87 0.00 0.00 176.83 175.65 2ysb s SER 6 N -5.92 6.72 0.00 4.97 1.04 -1.26 -4.76 113.70 114.49 2ysb s SER 6 Ca -0.12 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.16 2ysb s SER 6 Cb 0.01 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2ysb s SER 6 CO 0.28 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.25 2ysb n GLY 7 N 2.69 -1.04 3.45 7.32 0.00 -1.26 -5.07 105.19 111.27 2ysb n GLY 7 Ca -0.10 0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2ysb n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ysb s GLU 8 N 0.00 3.40 0.00 1.61 2.02 -1.26 -4.90 118.70 119.57 2ysb s GLU 8 Ca 0.00 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.55 2ysb s GLU 8 Cb 0.00 -4.66 -0.19 0.00 0.10 0.00 0.00 34.13 29.38 2ysb s GLU 8 CO 0.00 -1.79 2.85 -3.47 0.02 0.00 0.00 175.26 172.87 2ysb n ASP 9 N 7.02 4.23 -4.15 -0.19 -0.08 -1.26 -4.94 116.55 117.18 2ysb n ASP 9 Ca 0.13 -2.27 -0.36 0.00 -1.51 0.00 0.00 54.79 50.77 2ysb n ASP 9 Cb 0.48 -1.12 0.05 0.00 2.34 0.00 0.00 41.12 42.86 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 2.48 -4.12 -4.57 -2.67 4.77 -1.26 -4.70 117.00 106.93 2ysb n LEU 10 Ca 0.30 0.35 -0.27 0.00 -0.03 0.00 0.00 56.01 56.36 2ysb n LEU 10 Cb 0.70 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 2ysb n LEU 10 CO 0.13 -5.18 1.39 -2.16 -1.33 0.00 0.00 177.39 170.23 2ysb s PRO 11 N -2.05 2.54 0.46 3.23 0.04 -1.26 -4.95 135.00 133.01 2ysb s PRO 11 Ca 0.48 -0.54 -0.21 0.00 0.04 0.00 0.00 61.00 60.78 2ysb s PRO 11 Cb -0.27 -5.11 -0.12 0.00 0.04 0.00 0.00 34.50 29.04 2ysb s PRO 11 CO 0.75 -3.55 0.55 1.28 0.04 0.00 0.00 177.00 176.07 2ysb n LEU 12 N 14.09 0.24 -4.69 -3.56 4.77 -1.26 -4.95 117.00 121.64 2ysb n LEU 12 Ca 0.41 0.87 -0.29 0.00 -0.03 0.00 0.00 56.01 56.97 2ysb n LEU 12 Cb 0.47 -1.14 0.16 0.00 -2.33 0.00 0.00 43.42 40.59 2ysb n LEU 12 CO 0.62 -2.89 0.65 -2.16 -1.33 0.00 0.00 177.39 172.28 2ysb s PRO 13 N -1.71 0.67 -0.40 3.23 0.04 -1.26 -4.93 135.00 130.64 2ysb s PRO 13 Ca 0.64 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.01 2ysb s PRO 13 Cb -0.56 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 2ysb s PRO 13 CO 0.57 -2.59 1.73 -1.25 0.04 0.00 0.00 177.00 175.50 2ysb s PRO 14 N -4.95 3.26 0.00 0.56 0.04 -1.26 -2.57 135.00 130.08 2ysb s PRO 14 Ca 0.65 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2ysb s PRO 14 Cb -0.18 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2ysb s PRO 14 CO 0.57 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2ysb n GLY 15 N 5.40 1.55 3.93 0.56 0.00 -1.26 -4.95 105.19 110.43 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 -1.47 3.49 -0.22 1.61 0.52 -1.06 -2.35 118.94 119.46 2ysb s TRP 16 Ca 0.00 0.38 -0.10 0.00 0.02 0.00 0.00 56.10 56.41 2ysb s TRP 16 Cb 0.00 -1.91 0.09 0.00 -1.15 0.00 0.00 33.47 30.50 2ysb s TRP 16 CO 0.00 0.18 0.51 -1.54 0.02 0.00 0.00 176.95 176.12 2ysb s SER 17 N -3.74 -0.61 0.16 2.95 1.04 -0.42 -4.90 113.70 108.18 2ysb s SER 17 Ca 0.40 1.16 -0.10 0.00 0.48 0.00 0.00 55.95 57.89 2ysb s SER 17 Cb -0.10 1.37 -0.07 0.00 0.10 0.00 0.00 66.02 67.33 2ysb s SER 17 CO 0.34 -0.22 0.50 0.54 0.98 0.00 0.00 173.24 175.37 2ysb s VAL 18 N 2.16 4.98 -0.14 5.02 0.11 -1.26 0.02 120.40 131.29 2ysb s VAL 18 Ca -0.06 0.51 -0.14 0.00 -2.93 0.00 0.00 61.98 59.36 2ysb s VAL 18 Cb -0.10 -3.66 0.04 0.00 -1.53 0.00 0.00 36.38 31.13 2ysb s VAL 18 CO -0.15 0.11 0.39 -0.62 -3.33 0.00 0.00 175.10 171.50 2ysb s ASP 19 N -2.06 -0.40 -0.16 3.54 -1.08 -0.35 -4.96 116.67 111.21 2ysb s ASP 19 Ca 0.41 0.74 -0.15 0.00 -0.52 0.00 0.00 52.55 53.03 2ysb s ASP 19 Cb -0.13 0.76 -0.04 0.00 -1.46 0.00 0.00 42.92 42.05 2ysb s ASP 19 CO 0.20 -0.17 0.33 0.26 0.52 0.00 0.00 175.17 176.31 2ysb s TRP 20 N 0.05 3.46 0.73 -5.34 0.51 -1.26 -2.26 118.94 114.82 2ysb s TRP 20 Ca -0.01 0.64 -0.11 0.00 -2.12 0.00 0.00 56.10 54.50 2ysb s TRP 20 Cb -0.03 -2.40 0.04 0.00 -0.81 0.00 0.00 33.47 30.27 2ysb s TRP 20 CO 0.01 0.19 1.10 0.95 -0.51 0.00 0.00 176.95 178.69 2ysb s THR 21 N 0.60 2.92 0.15 2.01 -4.23 -0.49 -4.88 115.64 111.72 2ysb s THR 21 Ca 0.18 0.21 -0.28 0.00 -1.18 0.00 0.00 61.69 60.62 2ysb s THR 21 Cb -0.13 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.41 2ysb s THR 21 CO 0.05 -0.35 1.56 -0.03 -0.54 0.00 0.00 174.62 175.31 2ysb h MET 22 N -0.73 -0.30 -0.96 3.99 4.05 -1.98 0.15 114.93 119.15 2ysb h MET 22 Ca -0.45 0.02 0.27 0.00 -0.28 0.00 0.00 59.70 59.26 2ysb h MET 22 Cb 1.28 0.07 -0.14 0.00 -0.80 0.00 0.00 31.60 32.01 2ysb h MET 22 CO 0.64 -0.20 0.46 0.00 0.23 0.00 0.00 176.91 178.04 2ysb h ARG 23 N -0.31 0.33 0.00 0.39 2.47 -2.05 -3.44 114.38 111.77 2ysb h ARG 23 Ca 0.13 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2ysb h ARG 23 Cb 0.58 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2ysb h ARG 23 CO -0.63 0.22 0.00 0.41 0.56 0.00 0.00 179.97 180.53 2ysb n GLY 24 N -1.32 1.79 3.77 0.04 0.00 0.51 -5.14 105.19 104.84 2ysb n GLY 24 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.06 3.17 -0.29 1.61 0.52 -1.25 -4.86 118.95 117.80 2ysb s ARG 25 Ca 0.00 -0.30 -0.15 0.00 -0.52 0.00 0.00 55.73 54.76 2ysb s ARG 25 Cb 0.00 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 2ysb s ARG 25 CO 0.00 0.73 0.37 0.21 0.02 0.00 0.00 175.30 176.63 2ysb s LYS 26 N -0.99 3.90 0.01 3.54 2.20 -1.26 -1.39 119.74 125.74 2ysb s LYS 26 Ca 0.15 -0.08 0.05 0.00 -0.36 0.00 0.00 55.97 55.73 2ysb s LYS 26 Cb -0.12 -3.69 -0.01 0.00 -1.51 0.00 0.00 37.83 32.50 2ysb s LYS 26 CO 0.04 -0.34 -0.14 1.52 -0.36 0.00 0.00 175.35 176.06 2ysb s TYR 27 N 2.07 1.27 -0.15 4.03 1.13 -0.96 -4.81 117.35 119.92 2ysb s TYR 27 Ca 0.14 -0.28 -0.10 0.00 -1.41 0.00 0.00 57.07 55.42 2ysb s TYR 27 Cb -0.16 -0.79 -0.05 0.00 -1.10 0.00 0.00 41.96 39.86 2ysb s TYR 27 CO 0.11 0.00 0.19 0.71 -2.51 0.00 0.00 175.55 174.04 2ysb s TYR 28 N -0.50 3.50 -0.11 -3.49 2.02 -0.29 -1.21 117.35 117.27 2ysb s TYR 28 Ca 0.04 0.49 -0.04 0.00 -0.37 0.00 0.00 57.07 57.19 2ysb s TYR 28 Cb -0.06 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 2ysb s TYR 28 CO 0.00 0.43 0.05 0.42 -1.57 0.00 0.00 175.55 174.88 2ysb s ILE 29 N -0.12 4.70 -0.39 2.71 1.01 0.10 -0.40 121.20 128.81 2ysb s ILE 29 Ca 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.60 2ysb s ILE 29 Cb -0.12 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.38 2ysb s ILE 29 CO 0.02 0.58 0.21 -0.62 0.00 0.00 0.00 174.94 175.13 2ysb s ASP 30 N -0.65 5.58 0.39 3.58 -1.08 0.23 -1.30 116.67 123.42 2ysb s ASP 30 Ca 0.11 -1.31 0.20 0.00 -0.52 0.00 0.00 52.55 51.04 2ysb s ASP 30 Cb -0.12 -1.96 0.25 0.00 -1.46 0.00 0.00 42.92 39.63 2ysb s ASP 30 CO 0.02 -0.45 1.56 0.45 0.52 0.00 0.00 175.17 177.27 2ysb h HIS 31 N 8.36 0.00 0.03 -5.34 3.86 -1.75 1.41 115.15 121.72 2ysb h HIS 31 Ca -0.23 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.74 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 0.17 -1.01 -0.91 0.86 0.00 0.00 177.93 177.63 2ysb h ASN 32 N 0.00 0.50 0.00 2.45 2.35 -1.92 -3.35 115.58 115.61 2ysb h ASN 32 Ca -0.00 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.31 2ysb h ASN 32 Cb 1.13 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 2ysb h ASN 32 CO 0.02 1.25 -1.55 0.35 -1.65 0.00 0.00 177.43 175.85 2ysb n THR 33 N -3.69 0.06 -2.58 2.81 -2.24 -1.23 -5.03 114.28 102.38 2ysb n THR 33 Ca -0.07 -0.28 -0.05 0.00 -2.27 0.00 0.00 64.05 61.37 2ysb n THR 33 Cb 0.88 0.16 0.02 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.94 -2.57 -3.99 3.42 3.02 0.48 -5.06 115.26 108.60 2ysb n ASN 34 Ca -0.03 -0.15 -0.09 0.00 -0.03 0.00 0.00 54.58 54.28 2ysb n ASN 34 Cb 0.35 -1.70 -0.10 0.00 -0.61 0.00 0.00 39.78 37.72 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 -3.09 0.15 0.18 3.41 -4.23 -0.78 -4.94 115.64 106.34 2ysb s THR 35 Ca 0.08 -1.25 0.06 0.00 -1.18 0.00 0.00 61.69 59.39 2ysb s THR 35 Cb -0.03 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 2ysb s THR 35 CO 0.19 -0.69 0.13 0.42 -0.54 0.00 0.00 174.62 174.13 2ysb s THR 36 N -2.63 4.39 -0.09 3.99 -4.23 -1.26 0.76 115.64 116.58 2ysb s THR 36 Ca -0.05 -1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 59.26 2ysb s THR 36 Cb -0.01 -3.25 0.05 0.00 1.34 0.00 0.00 72.50 70.62 2ysb s THR 36 CO -0.05 -0.14 0.18 -1.00 -0.54 0.00 0.00 174.62 173.08 2ysb s HIS 37 N -1.79 -0.23 0.23 3.99 3.76 0.46 -4.97 115.29 116.74 2ysb s HIS 37 Ca 0.31 0.64 -0.05 0.00 -0.15 0.00 0.00 55.06 55.80 2ysb s HIS 37 Cb -0.10 -0.10 0.24 0.00 1.11 0.00 0.00 32.58 33.73 2ysb s HIS 37 CO 0.23 -0.23 1.77 -1.49 -0.85 0.00 0.00 174.74 174.17 2ysb h TRP 38 N 7.68 1.07 -2.10 1.40 -0.00 -1.87 -0.75 115.95 121.39 2ysb h TRP 38 Ca -0.31 -0.11 -0.45 0.00 -0.00 0.00 0.00 58.89 58.03 2ysb h TRP 38 Cb 1.13 -0.31 0.00 0.00 -0.00 0.00 0.00 29.16 29.98 2ysb h TRP 38 CO 0.41 0.86 -0.33 -1.12 -0.00 0.00 0.00 178.44 178.26 2ysb s SER 39 N -6.48 6.08 0.37 -3.49 0.01 -1.26 -4.65 113.70 104.28 2ysb s SER 39 Ca -0.11 -0.01 -0.28 0.00 1.31 0.00 0.00 55.95 56.86 2ysb s SER 39 Cb 0.15 -1.51 -0.10 0.00 0.21 0.00 0.00 66.02 64.77 2ysb s SER 39 CO 0.83 -0.35 1.41 -2.28 0.41 0.00 0.00 173.24 173.26 2ysb s HIS 40 N -2.17 2.73 0.23 2.43 2.46 -1.26 -4.77 115.29 114.93 2ysb s HIS 40 Ca 0.42 1.28 0.22 0.00 0.47 0.00 0.00 55.06 57.45 2ysb s HIS 40 Cb -0.09 -3.88 0.96 0.00 -0.13 0.00 0.00 32.58 29.45 2ysb s HIS 40 CO 0.32 -2.56 1.86 -1.00 -2.47 0.00 0.00 174.74 170.89 2ysb h PRO 41 N 3.01 0.00 0.05 2.88 0.13 -1.97 -3.04 132.00 133.05 2ysb h PRO 41 Ca -0.50 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.34 2ysb h PRO 41 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2ysb h PRO 41 CO 0.64 0.26 -1.54 -0.07 -0.23 0.00 0.00 178.00 177.05 2ysb h LEU 42 N 0.00 0.16 -8.39 1.56 3.38 -1.97 -3.43 115.31 106.61 2ysb h LEU 42 Ca -0.00 -0.25 -0.27 0.00 0.09 0.00 0.00 57.88 57.45 2ysb h LEU 42 Cb 0.68 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2ysb h LEU 42 CO 0.03 1.22 0.79 -1.61 0.09 0.00 0.00 178.44 178.96 2ysb s GLU 43 N -2.62 2.14 -0.04 1.13 0.41 -1.15 -4.89 118.70 113.67 2ysb s GLU 43 Ca -0.06 0.50 -0.02 0.00 -0.41 0.00 0.00 54.97 54.98 2ysb s GLU 43 Cb 0.08 -4.75 0.03 0.00 -1.78 0.00 0.00 34.13 27.71 2ysb s GLU 43 CO 0.83 -3.62 0.05 0.45 -0.49 0.00 0.00 175.26 172.48 2ysb s SER 44 N 9.94 1.18 0.00 -0.19 0.15 -1.26 -4.82 113.70 118.70 2ysb s SER 44 Ca 0.83 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.54 2ysb s SER 44 Cb -0.12 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2ysb s SER 44 CO 0.12 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2ysb n GLY 45 N 5.25 0.27 3.60 9.45 0.00 -1.26 -4.74 105.19 117.76 2ysb n GLY 45 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 3.40 0.43 1.61 0.04 -1.26 -4.99 135.00 134.22 2ysb s PRO 46 Ca 0.00 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 2ysb s PRO 46 Cb 0.00 -4.15 -0.10 0.00 0.04 0.00 0.00 34.50 30.29 2ysb s PRO 46 CO 0.00 -1.78 0.91 -1.12 0.04 0.00 0.00 177.00 175.05 2ysb s SER 47 N 5.54 6.82 -0.02 6.66 0.01 -1.26 -5.08 113.70 126.37 2ysb s SER 47 Ca 0.75 1.56 0.07 0.00 1.31 0.00 0.00 55.95 59.65 2ysb s SER 47 Cb -0.20 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 2ysb s SER 47 CO 0.33 -0.38 -0.25 -0.55 0.41 0.00 0.00 173.24 172.80 2ysb s SER 48 N -2.44 2.92 0.00 2.44 0.15 -1.26 -5.28 113.70 110.23 2ysb s SER 48 Ca 0.59 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2ysb s SER 48 Cb -0.09 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 2ysb s SER 48 CO 0.19 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.54