#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 1.33 -0.03 1.61 0.15 -1.26 -5.04 113.70 110.46 2ysb s SER 2 Ca 0.00 -0.07 -0.23 0.00 0.70 0.00 0.00 55.95 56.35 2ysb s SER 2 Cb 0.00 0.18 -0.16 0.00 -1.71 0.00 0.00 66.02 64.33 2ysb s SER 2 CO 0.00 -0.30 1.01 -1.28 1.20 0.00 0.00 173.24 173.87 2ysb h SER 3 N 8.36 -0.23 0.00 5.45 0.87 -2.07 -3.45 113.55 122.48 2ysb h SER 3 Ca -0.15 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.03 2ysb h SER 3 Cb 1.14 0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 63.06 2ysb h SER 3 CO 0.22 0.26 0.19 0.61 -0.53 0.00 0.00 176.83 177.58 2ysb n GLY 4 N 0.28 -1.12 3.27 5.77 0.00 -1.26 -5.14 105.19 106.99 2ysb n GLY 4 Ca -0.08 0.28 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 2ysb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysb s SER 5 N -0.11 -0.31 0.21 1.61 0.01 -1.26 -5.05 113.70 108.80 2ysb s SER 5 Ca 0.08 0.98 -0.15 0.00 1.31 0.00 0.00 55.95 58.17 2ysb s SER 5 Cb 0.12 1.25 0.22 0.00 0.21 0.00 0.00 66.02 67.82 2ysb s SER 5 CO -0.07 -0.23 1.61 0.77 0.41 0.00 0.00 173.24 175.73 2ysb h SER 6 N 7.98 -0.80 -3.88 2.44 4.64 -2.01 -3.44 113.55 118.48 2ysb h SER 6 Ca -0.19 0.21 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2ysb h SER 6 Cb 1.12 0.47 -0.24 0.00 -0.31 0.00 0.00 62.40 63.44 2ysb h SER 6 CO 0.15 -0.25 0.47 -0.83 -0.87 0.00 0.00 176.83 175.50 2ysb s GLY 7 N -3.43 -0.26 -0.09 -0.77 0.00 -1.26 -5.01 107.32 96.49 2ysb s GLY 7 Ca -0.14 2.19 0.03 0.00 0.00 0.00 0.00 44.72 46.79 2ysb s GLY 7 CO 0.72 1.32 0.98 1.18 0.00 0.00 0.00 173.10 177.31 2ysb n GLU 8 N 1.32 1.84 -3.75 2.90 1.02 -1.26 -4.85 120.64 117.85 2ysb n GLU 8 Ca -0.12 -0.86 -0.30 0.00 -0.02 0.00 0.00 57.16 55.86 2ysb n GLU 8 Cb 0.57 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.13 -1.43 -4.42 1.62 2.03 -1.26 -4.80 116.55 108.42 2ysb n ASP 9 Ca 0.11 -0.78 -0.35 0.00 0.52 0.00 0.00 54.79 54.29 2ysb n ASP 9 Cb 0.62 -1.28 0.09 0.00 -0.72 0.00 0.00 41.12 39.83 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 -3.29 0.05 -4.57 -2.67 4.77 -1.26 -4.77 117.00 105.26 2ysb n LEU 10 Ca 0.08 0.47 -0.28 0.00 -0.03 0.00 0.00 56.01 56.26 2ysb n LEU 10 Cb 0.40 -1.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 2ysb n LEU 10 CO 0.67 -3.47 1.47 -2.16 -1.33 0.00 0.00 177.39 172.56 2ysb s PRO 11 N -3.02 2.50 0.41 3.23 0.04 -1.26 -4.94 135.00 131.96 2ysb s PRO 11 Ca 0.61 -0.96 -0.23 0.00 0.04 0.00 0.00 61.00 60.46 2ysb s PRO 11 Cb -0.29 -5.20 -0.13 0.00 0.04 0.00 0.00 34.50 28.92 2ysb s PRO 11 CO 0.63 -3.85 0.61 1.28 0.04 0.00 0.00 177.00 175.71 2ysb n LEU 12 N 14.32 0.27 -4.68 -3.56 4.77 -1.26 -4.94 117.00 121.91 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 -1.14 0.17 0.00 -2.33 0.00 0.00 43.42 40.59 2ysb n LEU 12 CO 0.66 -2.69 0.64 -2.16 -1.33 0.00 0.00 177.39 172.51 2ysb s PRO 13 N -1.60 0.51 -0.38 3.23 0.04 -1.26 -4.93 135.00 130.60 2ysb s PRO 13 Ca 0.63 0.56 -0.28 0.00 0.04 0.00 0.00 61.00 61.95 2ysb s PRO 13 Cb -0.62 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 2ysb s PRO 13 CO 0.58 -2.69 1.72 -1.25 0.04 0.00 0.00 177.00 175.40 2ysb s PRO 14 N -4.96 3.32 0.00 0.56 0.04 -1.26 -2.60 135.00 130.10 2ysb s PRO 14 Ca 0.65 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2ysb s PRO 14 Cb -0.19 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2ysb s PRO 14 CO 0.58 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 176.14 2ysb n GLY 15 N 5.37 1.67 3.91 0.56 0.00 -1.26 -4.93 105.19 110.52 2ysb n GLY 15 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.49 3.48 -0.18 1.61 0.52 -1.07 -2.08 118.94 119.73 2ysb s TRP 16 Ca 0.00 0.56 -0.08 0.00 0.02 0.00 0.00 56.10 56.61 2ysb s TRP 16 Cb 0.00 -2.04 0.08 0.00 -1.15 0.00 0.00 33.47 30.36 2ysb s TRP 16 CO 0.00 0.21 0.41 -1.54 0.02 0.00 0.00 176.95 176.05 2ysb s SER 17 N -3.20 -0.31 0.14 2.95 1.04 -0.33 -4.90 113.70 109.09 2ysb s SER 17 Ca 0.43 0.93 -0.11 0.00 0.48 0.00 0.00 55.95 57.67 2ysb s SER 17 Cb -0.11 1.10 -0.07 0.00 0.10 0.00 0.00 66.02 67.04 2ysb s SER 17 CO 0.30 -0.22 0.49 0.54 0.98 0.00 0.00 173.24 175.33 2ysb s VAL 18 N 2.16 4.96 -0.11 5.02 0.11 -1.26 -0.08 120.40 131.20 2ysb s VAL 18 Ca -0.04 0.58 -0.17 0.00 -2.93 0.00 0.00 61.98 59.42 2ysb s VAL 18 Cb -0.11 -3.67 0.04 0.00 -1.53 0.00 0.00 36.38 31.11 2ysb s VAL 18 CO -0.13 0.17 0.43 -1.81 -3.33 0.00 0.00 175.10 170.44 2ysb s ASP 19 N -1.92 -0.41 -0.17 3.54 1.01 -0.32 -4.97 116.67 113.43 2ysb s ASP 19 Ca 0.39 0.66 -0.12 0.00 0.71 0.00 0.00 52.55 54.18 2ysb s ASP 19 Cb -0.14 0.71 -0.05 0.00 1.01 0.00 0.00 42.92 44.45 2ysb s ASP 19 CO 0.20 -0.29 0.24 0.26 0.21 0.00 0.00 175.17 175.79 2ysb s TRP 20 N -0.35 3.45 0.75 4.23 0.51 -1.26 -1.80 118.94 124.47 2ysb s TRP 20 Ca -0.05 0.51 -0.10 0.00 -2.12 0.00 0.00 56.10 54.34 2ysb s TRP 20 Cb -0.03 -2.27 0.06 0.00 -0.81 0.00 0.00 33.47 30.42 2ysb s TRP 20 CO 0.03 0.28 1.10 0.95 -0.51 0.00 0.00 176.95 178.79 2ysb s THR 21 N 0.37 2.39 0.17 2.01 -4.23 -0.39 -4.89 115.64 111.06 2ysb s THR 21 Ca 0.14 -0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.38 2ysb s THR 21 Cb -0.12 -3.09 0.06 0.00 1.34 0.00 0.00 72.50 70.69 2ysb s THR 21 CO 0.02 -0.11 1.59 0.24 -0.54 0.00 0.00 174.62 175.82 2ysb h MET 22 N -0.80 -0.24 -0.94 3.99 2.86 -1.98 0.58 114.93 118.40 2ysb h MET 22 Ca -0.45 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.43 2ysb h MET 22 Cb 1.31 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.90 2ysb h MET 22 CO 0.63 -0.16 0.48 0.00 1.06 0.00 0.00 176.91 178.92 2ysb h ARG 23 N -0.25 0.47 0.00 1.72 2.47 -2.05 -3.45 114.38 113.29 2ysb h ARG 23 Ca 0.17 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2ysb h ARG 23 Cb 0.55 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2ysb h ARG 23 CO -0.56 0.31 0.00 0.41 0.56 0.00 0.00 179.97 180.69 2ysb n GLY 24 N -1.33 2.00 3.82 0.04 0.00 0.20 -5.13 105.19 104.78 2ysb n GLY 24 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 3.30 -0.33 1.61 0.52 -1.25 -4.85 118.95 117.92 2ysb s ARG 25 Ca 0.00 -0.22 -0.16 0.00 -0.52 0.00 0.00 55.73 54.83 2ysb s ARG 25 Cb 0.00 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 2ysb s ARG 25 CO 0.00 0.75 0.40 0.21 0.02 0.00 0.00 175.30 176.69 2ysb s LYS 26 N -0.97 3.64 0.03 3.54 2.20 -1.26 -1.26 119.74 125.66 2ysb s LYS 26 Ca 0.14 -0.29 0.08 0.00 -0.36 0.00 0.00 55.97 55.54 2ysb s LYS 26 Cb -0.12 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 2ysb s LYS 26 CO 0.03 -0.52 -0.22 1.52 -0.36 0.00 0.00 175.35 175.80 2ysb s TYR 27 N 2.12 1.96 -0.17 4.03 1.13 -0.74 -4.84 117.35 120.84 2ysb s TYR 27 Ca 0.14 -0.38 -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 39.47 2ysb s TYR 27 CO 0.12 0.08 0.10 0.71 -2.51 0.00 0.00 175.55 174.05 2ysb s TYR 28 N -0.75 3.38 -0.13 -3.49 2.02 -0.79 -1.17 117.35 116.42 2ysb s TYR 28 Ca 0.09 0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 57.01 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 0.01 0.35 0.06 0.42 -1.57 0.00 0.00 175.55 174.82 2ysb s ILE 29 N -0.01 4.76 -0.38 2.71 1.01 0.89 -1.05 121.20 129.12 2ysb s ILE 29 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 2ysb s ILE 29 Cb -0.12 -3.07 0.05 0.00 0.01 0.00 0.00 42.46 39.33 2ysb s ILE 29 CO 0.00 0.56 0.19 -0.62 0.00 0.00 0.00 174.94 175.07 2ysb s ASP 30 N -0.47 5.56 0.40 3.58 -1.08 0.11 -1.19 116.67 123.58 2ysb s ASP 30 Ca 0.10 -1.25 0.23 0.00 -0.52 0.00 0.00 52.55 51.11 2ysb s ASP 30 Cb -0.12 -1.96 0.39 0.00 -1.46 0.00 0.00 42.92 39.77 2ysb s ASP 30 CO 0.02 -0.43 1.61 0.45 0.52 0.00 0.00 175.17 177.35 2ysb h HIS 31 N 8.35 0.00 -0.03 -5.34 3.86 -1.71 1.20 115.15 121.47 2ysb h HIS 31 Ca -0.24 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 0.01 0.00 1.06 0.00 0.00 27.41 29.57 2ysb h HIS 31 CO 0.59 0.00 -0.94 -0.91 0.86 0.00 0.00 177.93 177.53 2ysb h ASN 32 N 0.00 0.74 0.00 2.45 2.35 -1.92 -3.35 115.58 115.86 2ysb h ASN 32 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 2ysb h ASN 32 Cb 0.97 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2ysb h ASN 32 CO 0.00 1.36 -1.33 0.35 -1.65 0.00 0.00 177.43 176.17 2ysb n THR 33 N -3.83 0.00 -2.57 2.81 -2.24 -1.23 -5.03 114.28 102.20 2ysb n THR 33 Ca -0.08 -0.24 -0.06 0.00 -2.27 0.00 0.00 64.05 61.39 2ysb n THR 33 Cb 0.83 0.37 0.03 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.77 -2.32 -3.97 3.42 3.02 0.41 -5.06 115.26 108.98 2ysb n ASN 34 Ca -0.01 -0.21 -0.09 0.00 -0.03 0.00 0.00 54.58 54.24 2ysb n ASN 34 Cb 0.25 -2.07 -0.10 0.00 -0.61 0.00 0.00 39.78 37.25 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 -3.12 0.14 0.16 3.41 -4.23 -0.81 -4.95 115.64 106.24 2ysb s THR 35 Ca 0.04 -1.18 0.04 0.00 -1.18 0.00 0.00 61.69 59.41 2ysb s THR 35 Cb -0.02 -0.84 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 2ysb s THR 35 CO 0.25 -0.65 0.16 0.42 -0.54 0.00 0.00 174.62 174.25 2ysb s THR 36 N -2.54 4.63 -0.10 3.99 -4.23 -1.26 0.07 115.64 116.20 2ysb s THR 36 Ca -0.06 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 2ysb s THR 36 Cb -0.02 -3.36 0.05 0.00 1.34 0.00 0.00 72.50 70.51 2ysb s THR 36 CO -0.05 -0.09 0.20 -1.00 -0.54 0.00 0.00 174.62 173.14 2ysb s HIS 37 N -1.73 -0.26 0.23 3.99 3.76 -0.22 -4.98 115.29 116.08 2ysb s HIS 37 Ca 0.31 0.71 -0.07 0.00 -0.15 0.00 0.00 55.06 55.87 2ysb s HIS 37 Cb -0.10 -0.12 0.21 0.00 1.11 0.00 0.00 32.58 33.67 2ysb s HIS 37 CO 0.24 -0.27 1.83 -1.49 -0.85 0.00 0.00 174.74 174.21 2ysb h TRP 38 N 7.94 1.22 -2.32 1.40 -0.00 -1.88 -2.09 115.95 120.23 2ysb h TRP 38 Ca -0.24 -0.05 -0.49 0.00 -0.00 0.00 0.00 58.89 58.11 2ysb h TRP 38 Cb 1.13 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 29.89 2ysb h TRP 38 CO 0.40 0.87 -0.45 -1.12 -0.00 0.00 0.00 178.44 178.15 2ysb s SER 39 N -6.29 6.29 0.38 -3.49 0.01 -1.26 -4.68 113.70 104.66 2ysb s SER 39 Ca -0.12 0.09 -0.28 0.00 1.31 0.00 0.00 55.95 56.95 2ysb s SER 39 Cb 0.16 -1.86 -0.10 0.00 0.21 0.00 0.00 66.02 64.44 2ysb s SER 39 CO 0.83 -0.03 1.43 -2.28 0.41 0.00 0.00 173.24 173.60 2ysb s HIS 40 N -1.90 2.67 0.20 2.43 2.46 -1.26 -4.85 115.29 115.04 2ysb s HIS 40 Ca 0.34 1.25 0.26 0.00 0.47 0.00 0.00 55.06 57.38 2ysb s HIS 40 Cb -0.10 -3.91 1.10 0.00 -0.13 0.00 0.00 32.58 29.54 2ysb s HIS 40 CO 0.29 -2.69 1.90 -1.00 -2.47 0.00 0.00 174.74 170.76 2ysb h PRO 41 N 2.95 0.00 0.07 2.88 0.13 -1.97 -3.02 132.00 133.03 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 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2ysb h PRO 41 CO 0.64 0.18 -1.53 -0.07 -0.23 0.00 0.00 178.00 176.99 2ysb h LEU 42 N 0.00 0.23 -8.52 1.56 3.38 -1.98 -3.44 115.31 106.54 2ysb h LEU 42 Ca -0.00 -0.34 -0.47 0.00 0.09 0.00 0.00 57.88 57.15 2ysb h LEU 42 Cb 0.63 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2ysb h LEU 42 CO 0.02 1.29 1.65 -0.62 0.09 0.00 0.00 178.44 180.88 2ysb n GLU 43 N -3.33 0.89 -3.28 1.13 1.02 -1.14 -4.82 120.64 111.11 2ysb n GLU 43 Ca -0.15 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.03 2ysb n GLU 43 Cb 1.03 -3.10 -0.04 0.00 -0.02 0.00 0.00 31.44 29.31 2ysb n GLU 43 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ysb s SER 44 N 11.54 -0.30 -0.29 1.62 0.15 -1.26 -4.89 113.70 120.28 2ysb s SER 44 Ca 1.05 0.41 -0.32 0.00 0.70 0.00 0.00 55.95 57.79 2ysb s SER 44 Cb -0.37 1.34 0.18 0.00 -1.71 0.00 0.00 66.02 65.46 2ysb s SER 44 CO 0.31 -0.06 1.36 -0.83 1.20 0.00 0.00 173.24 175.22 2ysb s GLY 45 N 2.26 0.01 0.21 9.45 0.00 -1.26 -5.04 107.32 112.96 2ysb s GLY 45 Ca -0.01 2.57 -0.02 0.00 0.00 0.00 0.00 44.72 47.26 2ysb s GLY 45 CO -0.17 0.97 1.57 -0.56 0.00 0.00 0.00 173.10 174.92 2ysb h PRO 46 N 2.03 0.58 -1.97 2.90 0.13 -2.04 -3.43 132.00 130.20 2ysb h PRO 46 Ca -0.06 -0.30 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2ysb h PRO 46 Cb 1.17 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 32.07 2ysb h PRO 46 CO 0.21 0.90 -0.28 -1.12 -0.23 0.00 0.00 178.00 177.48 2ysb s SER 47 N -6.86 -0.73 0.48 1.44 0.01 -1.26 -5.17 113.70 101.61 2ysb s SER 47 Ca -0.08 1.09 0.08 0.00 1.31 0.00 0.00 55.95 58.36 2ysb s SER 47 Cb 0.12 1.82 0.02 0.00 0.21 0.00 0.00 66.02 68.20 2ysb s SER 47 CO 0.83 -0.24 0.54 -0.44 0.41 0.00 0.00 173.24 174.33 2ysb s SER 48 N 2.76 5.17 0.00 2.44 0.01 -1.26 -5.22 113.70 117.59 2ysb s SER 48 Ca 0.03 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2ysb s SER 48 Cb -0.13 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2ysb s SER 48 CO -0.17 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.17