#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysa s SER 2 N 0.00 6.50 0.28 1.61 1.04 -1.26 -5.11 113.70 116.75 2ysa s SER 2 Ca 0.00 0.69 0.03 0.00 0.48 0.00 0.00 55.95 57.15 2ysa s SER 2 Cb 0.00 -2.13 -0.06 0.00 0.10 0.00 0.00 66.02 63.93 2ysa s SER 2 CO 0.00 -0.07 0.05 -0.44 0.98 0.00 0.00 173.24 173.75 2ysa s SER 3 N -2.75 1.89 -0.79 7.02 0.01 -1.26 -5.00 113.70 112.83 2ysa s SER 3 Ca 0.43 -1.33 0.02 0.00 1.31 0.00 0.00 55.95 56.39 2ysa s SER 3 Cb -0.11 0.01 0.19 0.00 0.21 0.00 0.00 66.02 66.32 2ysa s SER 3 CO 0.26 -0.61 0.62 0.61 0.41 0.00 0.00 173.24 174.53 2ysa n GLY 4 N -0.54 4.08 0.35 3.44 0.00 -1.26 -4.94 105.19 106.31 2ysa n GLY 4 Ca -0.03 -2.60 -0.04 0.00 0.00 0.00 0.00 46.02 43.35 2ysa n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ysa h SER 5 N 5.61 -1.20 -1.68 1.61 0.02 -1.99 -3.43 113.55 112.49 2ysa h SER 5 Ca 0.16 0.24 -0.60 0.00 -0.84 0.00 0.00 61.79 60.75 2ysa h SER 5 Cb 0.77 0.60 -0.11 0.00 0.14 0.00 0.00 62.40 63.81 2ysa h SER 5 CO 0.78 -0.30 -0.57 -0.94 -1.14 0.00 0.00 176.83 174.66 2ysa s SER 6 N -5.20 4.12 1.63 3.07 1.04 -1.26 -5.01 113.70 112.08 2ysa s SER 6 Ca -0.14 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2ysa s SER 6 Cb 0.17 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2ysa s SER 6 CO 0.70 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2ysa n GLY 7 N -1.06 3.79 3.67 7.32 0.00 -1.26 -4.81 105.19 112.84 2ysa n GLY 7 Ca -0.03 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2ysa n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ysa s TYR 8 N 0.00 -0.34 0.02 1.61 -0.85 -1.26 -5.07 117.35 111.46 2ysa s TYR 8 Ca 0.00 -0.01 -0.10 0.00 -0.52 0.00 0.00 57.07 56.44 2ysa s TYR 8 Cb 0.00 0.64 0.01 0.00 0.38 0.00 0.00 41.96 42.99 2ysa s TYR 8 CO 0.00 -1.07 0.21 0.99 -1.52 0.00 0.00 175.55 174.17 2ysa s THR 9 N -3.84 0.09 -0.26 -3.49 2.01 -1.26 -4.62 115.64 104.27 2ysa s THR 9 Ca 0.07 -0.74 -0.33 0.00 0.31 0.00 0.00 61.69 61.00 2ysa s THR 9 Cb -0.04 -0.73 -0.10 0.00 0.01 0.00 0.00 72.50 71.64 2ysa s THR 9 CO -0.02 -0.41 2.13 0.00 -0.69 0.00 0.00 174.62 175.64 2ysa n PHE 11 N 9.59 0.00 0.09 0.00 7.35 -1.26 0.90 117.46 134.14 2ysa n PHE 11 Ca 0.34 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.97 2ysa n PHE 11 Cb 0.29 -0.41 -0.04 0.00 0.35 0.00 0.00 39.48 39.67 2ysa n PHE 11 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2ysa h ARG 12 N 0.00 -0.32 0.00 -4.13 2.43 -1.90 -3.42 114.38 107.05 2ysa h ARG 12 Ca 0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 2ysa h ARG 12 Cb 0.25 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2ysa h ARG 12 CO 0.00 -0.12 -1.44 0.00 -1.51 0.00 0.00 179.97 176.90 2ysa n GLY 14 N 2.46 1.13 3.38 0.00 0.00 0.26 -4.99 105.19 107.44 2ysa n GLY 14 Ca -0.09 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2ysa n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysa s LYS 15 N -0.54 3.43 0.94 1.61 -0.14 -1.23 -4.81 119.74 119.00 2ysa s LYS 15 Ca 0.00 -0.65 -0.12 0.00 -1.36 0.00 0.00 55.97 53.84 2ysa s LYS 15 Cb 0.00 -2.74 0.15 0.00 -1.68 0.00 0.00 37.83 33.56 2ysa s LYS 15 CO 0.00 0.15 1.09 -1.25 -0.76 0.00 0.00 175.35 174.58 2ysa s PRO 16 N 0.53 0.91 0.00 -1.68 0.04 -1.26 -2.18 135.00 131.37 2ysa s PRO 16 Ca -0.07 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2ysa s PRO 16 Cb -0.15 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2ysa s PRO 16 CO 0.03 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 175.04 2ysa n GLY 17 N -1.10 2.11 3.43 0.56 0.00 -1.26 -4.91 105.19 104.02 2ysa n GLY 17 Ca 0.06 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 2ysa n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ysa s HIS 18 N -0.42 2.16 0.39 1.61 -3.43 -1.25 -5.08 115.29 109.27 2ysa s HIS 18 Ca 0.00 -0.39 0.08 0.00 -0.80 0.00 0.00 55.06 53.95 2ysa s HIS 18 Cb 0.00 -0.98 -0.01 0.00 -1.43 0.00 0.00 32.58 30.16 2ysa s HIS 18 CO 0.00 0.59 0.43 1.52 -2.00 0.00 0.00 174.74 175.28 2ysa s TYR 19 N -2.40 2.82 0.42 0.38 1.13 -1.26 -2.38 117.35 116.05 2ysa s TYR 19 Ca 0.26 -0.40 0.14 0.00 -1.41 0.00 0.00 57.07 55.65 2ysa s TYR 19 Cb -0.05 -2.15 1.00 0.00 -1.10 0.00 0.00 41.96 39.66 2ysa s TYR 19 CO 0.12 -0.15 1.95 0.97 -2.51 0.00 0.00 175.55 175.93 2ysa h ILE 20 N 0.93 0.86 -0.00 -3.49 2.10 -1.88 0.89 117.51 116.93 2ysa h ILE 20 Ca -0.42 -0.16 -0.15 0.00 1.08 0.00 0.00 64.86 65.21 2ysa h ILE 20 Cb 1.27 0.37 -0.02 0.00 -1.09 0.00 0.00 36.82 37.34 2ysa h ILE 20 CO 0.53 0.08 -0.73 0.11 -1.08 0.00 0.00 178.15 177.07 2ysa h LYS 21 N 0.46 0.01 -0.39 2.19 1.57 -2.00 -3.11 116.57 115.28 2ysa h LYS 21 Ca 0.33 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2ysa h LYS 21 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2ysa h LYS 21 CO -0.10 0.73 0.00 -1.71 -0.57 0.00 0.00 179.45 177.80 2ysa n ASN 22 N -3.68 4.19 -4.75 0.86 5.15 0.11 -5.01 115.26 112.14 2ysa n ASN 22 Ca -0.01 -2.73 -0.41 0.00 -0.60 0.00 0.00 54.58 50.83 2ysa n ASN 22 Cb 0.71 -0.52 -0.02 0.00 -0.53 0.00 0.00 39.78 39.41 2ysa n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ysa h PRO 24 N 4.62 0.65 -0.65 0.00 0.13 -1.92 -3.19 132.00 131.65 2ysa h PRO 24 Ca -0.47 -0.35 0.07 0.00 -0.87 0.00 0.00 66.00 64.39 2ysa h PRO 24 Cb 1.22 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2ysa h PRO 24 CO 0.74 0.95 0.33 1.79 -0.23 0.00 0.00 178.00 181.59 2ysa h THR 25 N 0.53 0.91 0.00 1.56 1.35 -1.94 0.11 112.91 115.44 2ysa h THR 25 Ca 0.04 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2ysa h THR 25 Cb 0.95 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 2ysa h THR 25 CO 0.09 0.11 0.05 -0.55 -0.25 0.00 0.00 175.52 174.97 2ysa h ASN 26 N 0.60 0.00 -0.44 5.36 7.08 -1.91 -1.50 115.58 124.78 2ysa h ASN 26 Ca 0.30 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 53.20 2ysa h ASN 26 Cb 0.25 0.00 -0.28 0.00 -2.08 0.00 0.00 38.32 36.21 2ysa h ASN 26 CO -0.22 0.00 -0.74 0.61 -2.08 0.00 0.00 177.43 175.01 2ysa n GLY 27 N -1.17 5.45 3.04 9.14 0.00 0.34 -5.00 105.19 116.98 2ysa n GLY 27 Ca -0.02 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 2ysa n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysa s ASP 28 N -3.42 2.39 0.41 1.61 1.11 -0.57 -5.00 116.67 113.20 2ysa s ASP 28 Ca 0.44 -0.41 0.19 0.00 0.18 0.00 0.00 52.55 52.95 2ysa s ASP 28 Cb 0.39 -1.06 0.88 0.00 1.07 0.00 0.00 42.92 44.21 2ysa s ASP 28 CO -0.01 -0.00 1.85 0.07 1.18 0.00 0.00 175.17 178.25 2ysa h LYS 29 N 7.51 0.00 0.59 8.23 2.10 -1.91 -3.12 116.57 129.97 2ysa h LYS 29 Ca -0.32 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.30 2ysa h LYS 29 Cb 1.17 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2ysa h LYS 29 CO 0.49 0.31 -0.28 -0.91 -2.00 0.00 0.00 179.45 177.05 2ysa h ASN 30 N 0.00 -0.67 -0.79 7.07 2.35 -1.94 -3.25 115.58 118.35 2ysa h ASN 30 Ca -0.00 0.01 0.18 0.00 -0.55 0.00 0.00 56.30 55.94 2ysa h ASN 30 Cb 0.69 0.17 -0.14 0.00 0.05 0.00 0.00 38.32 39.09 2ysa h ASN 30 CO 0.04 -0.27 0.00 0.15 -1.65 0.00 0.00 177.43 175.70 2ysa h PHE 31 N -1.20 -0.06 -2.90 1.19 3.04 -1.87 -3.28 116.94 111.86 2ysa h PHE 31 Ca -0.08 0.06 -0.53 0.00 3.98 0.00 0.00 57.97 61.40 2ysa h PHE 31 Cb 0.62 0.15 0.03 0.00 2.56 0.00 0.00 35.95 39.31 2ysa h PHE 31 CO 0.00 -0.27 0.81 -2.00 -2.02 0.00 0.00 178.31 174.84 2ysa s GLU 32 N -6.11 4.27 -1.41 1.11 2.12 -1.18 -2.68 118.70 114.83 2ysa s GLU 32 Ca -0.13 2.20 -0.09 0.00 0.36 0.00 0.00 54.97 57.30 2ysa s GLU 32 Cb 0.23 -3.26 0.04 0.00 0.26 0.00 0.00 34.13 31.40 2ysa s GLU 32 CO 0.76 -0.54 1.04 0.45 -0.54 0.00 0.00 175.26 176.43 2ysa n SER 33 N 4.19 -4.82 -3.77 -1.70 2.88 -1.26 -4.92 113.62 104.22 2ysa n SER 33 Ca 0.13 -0.67 -0.30 0.00 -1.33 0.00 0.00 58.87 56.70 2ysa n SER 33 Cb 0.41 -4.48 0.25 0.00 -0.75 0.00 0.00 64.21 59.63 2ysa n SER 33 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ysa s GLY 34 N -3.52 1.55 0.01 0.46 0.00 -1.09 -4.98 107.32 99.75 2ysa s GLY 34 Ca 0.50 -0.89 -0.23 0.00 0.00 0.00 0.00 44.72 44.11 2ysa s GLY 34 CO 0.78 0.01 1.31 -0.56 0.00 0.00 0.00 173.10 174.65 2ysa h PRO 35 N -2.75 0.20 -3.74 2.90 0.13 -1.91 -3.43 132.00 123.40 2ysa h PRO 35 Ca -0.45 -0.11 -0.51 0.00 -0.87 0.00 0.00 66.00 64.06 2ysa h PRO 35 Cb 1.31 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.05 2ysa h PRO 35 CO 0.34 0.63 -0.77 1.03 -0.23 0.00 0.00 178.00 179.00 2ysa s ARG 36 N -4.29 0.85 -0.07 0.86 0.52 -1.26 -5.13 118.95 110.42 2ysa s ARG 36 Ca -0.15 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 2ysa s ARG 36 Cb 0.04 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 2ysa s ARG 36 CO 0.72 -0.53 -0.08 -1.50 0.02 0.00 0.00 175.30 173.93 2ysa s ILE 37 N 1.82 3.55 -0.03 1.52 1.10 -1.26 -5.11 121.20 122.78 2ysa s ILE 37 Ca 0.00 -0.53 -0.00 0.00 -0.51 0.00 0.00 60.65 59.61 2ysa s ILE 37 Cb -0.16 -2.45 0.03 0.00 0.15 0.00 0.00 42.46 40.03 2ysa s ILE 37 CO -0.07 0.59 0.03 -0.75 -2.11 0.00 0.00 174.94 172.62 2ysa s LYS 38 N -0.66 0.07 0.32 3.50 2.20 -1.26 -5.15 119.74 118.76 2ysa s LYS 38 Ca 0.10 0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.90 2ysa s LYS 38 Cb -0.11 -0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 2ysa s LYS 38 CO 0.02 -0.21 0.54 0.15 -0.36 0.00 0.00 175.35 175.49 2ysa s LYS 39 N 1.37 3.52 0.39 4.03 1.02 -1.26 -5.12 119.74 123.69 2ysa s LYS 39 Ca -0.05 -0.25 0.04 0.00 0.02 0.00 0.00 55.97 55.73 2ysa s LYS 39 Cb -0.13 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 2ysa s LYS 39 CO -0.03 0.18 0.12 -1.54 -0.92 0.00 0.00 175.35 173.17 2ysa s SER 40 N -3.74 2.64 0.11 2.83 1.04 -1.26 -5.17 113.70 110.15 2ysa s SER 40 Ca 0.41 -1.62 0.09 0.00 0.48 0.00 0.00 55.95 55.31 2ysa s SER 40 Cb -0.10 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 2ysa s SER 40 CO 0.34 -0.88 -0.23 -0.89 0.98 0.00 0.00 173.24 172.56 2ysa s THR 41 N -3.25 1.94 0.00 2.02 2.01 -1.26 -5.15 115.64 111.94 2ysa s THR 41 Ca 0.26 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 60.66 2ysa s THR 41 Cb 0.04 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.81 2ysa s THR 41 CO 0.15 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 2ysa n GLY 42 N 1.08 0.47 3.51 4.40 0.00 -1.26 -5.02 105.19 108.37 2ysa n GLY 42 Ca -0.19 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 2ysa n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ysa n ILE 43 N 0.00 2.46 0.33 -0.61 -0.00 -1.26 -4.87 119.36 115.42 2ysa n ILE 43 Ca 0.00 -0.45 0.15 0.00 -0.00 0.00 0.00 62.75 62.45 2ysa n ILE 43 Cb 0.00 -0.85 0.61 0.00 -0.00 0.00 0.00 39.64 39.40 2ysa n ILE 43 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 2ysa h PRO 44 N -0.01 0.00 -1.52 6.28 0.13 -1.99 -3.41 132.00 131.47 2ysa h PRO 44 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2ysa h PRO 44 Cb 1.37 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.27 2ysa h PRO 44 CO 0.46 0.00 -0.28 -0.98 -0.23 0.00 0.00 178.00 176.97 2ysa s ARG 45 N -3.51 0.51 0.07 0.86 1.70 -1.26 -5.07 118.95 112.25 2ysa s ARG 45 Ca 0.02 1.04 -0.15 0.00 -0.47 0.00 0.00 55.73 56.17 2ysa s ARG 45 Cb 0.09 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 2ysa s ARG 45 CO 0.47 -0.49 1.26 0.66 -1.08 0.00 0.00 175.30 176.11 2ysa h SER 46 N 8.05 -0.99 -3.98 -2.89 4.64 -2.00 -3.39 113.55 112.99 2ysa h SER 46 Ca -0.21 0.14 -0.52 0.00 -0.47 0.00 0.00 61.79 60.74 2ysa h SER 46 Cb 1.14 0.43 0.08 0.00 -0.31 0.00 0.00 62.40 63.73 2ysa h SER 46 CO 0.21 -0.14 0.55 -0.36 -0.87 0.00 0.00 176.83 176.22 2ysa s PHE 47 N -4.22 2.81 0.23 4.77 0.40 -1.26 -5.04 117.98 115.67 2ysa s PHE 47 Ca -0.06 1.47 0.08 0.00 -0.60 0.00 0.00 56.93 57.82 2ysa s PHE 47 Cb 0.05 -3.54 -0.05 0.00 0.51 0.00 0.00 43.02 39.99 2ysa s PHE 47 CO 0.29 -1.86 -0.14 -1.64 0.70 0.00 0.00 175.22 172.58 2ysa s MET 48 N -2.49 1.41 -0.40 0.44 -1.94 -1.26 -5.10 119.30 109.96 2ysa s MET 48 Ca 0.61 -1.64 -0.13 0.00 -1.71 0.00 0.00 55.69 52.82 2ysa s MET 48 Cb -0.34 -1.21 0.03 0.00 2.01 0.00 0.00 34.83 35.32 2ysa s MET 48 CO 0.42 0.18 0.26 1.41 -0.01 0.00 0.00 175.02 177.29 2ysa s MET 49 N -3.64 2.89 -0.04 2.03 1.75 -1.26 -4.90 119.30 116.13 2ysa s MET 49 Ca 0.24 -1.08 0.10 0.00 -1.25 0.00 0.00 55.69 53.71 2ysa s MET 49 Cb -0.01 -3.88 0.28 0.00 2.84 0.00 0.00 34.83 34.07 2ysa s MET 49 CO 0.09 -0.75 1.23 -0.85 -0.65 0.00 0.00 175.02 174.08 2ysa n GLU 50 N 5.09 2.81 -0.10 4.11 0.28 -1.26 -4.53 120.64 127.03 2ysa n GLU 50 Ca -0.11 -2.11 0.03 0.00 -0.16 0.00 0.00 57.16 54.80 2ysa n GLU 50 Cb 0.46 -1.33 0.09 0.00 1.43 0.00 0.00 31.44 32.09 2ysa n GLU 50 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2ysa n VAL 51 N -0.00 0.28 0.05 3.84 0.24 -1.26 -4.07 118.33 117.40 2ysa n VAL 51 Ca 0.11 -0.26 0.16 0.00 -2.04 0.00 0.00 64.34 62.31 2ysa n VAL 51 Cb 0.49 0.10 0.65 0.00 -1.47 0.00 0.00 33.84 33.61 2ysa n VAL 51 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2ysa h LYS 52 N 1.11 0.06 -6.81 7.34 3.11 -1.96 -3.41 116.57 116.01 2ysa h LYS 52 Ca 0.00 -0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 57.35 2ysa h LYS 52 Cb 0.28 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.50 2ysa h LYS 52 CO 0.01 0.04 0.40 -0.51 -2.81 0.00 0.00 179.45 176.58 2ysa s ASP 53 N -6.42 7.36 0.00 4.20 1.11 -1.26 -4.93 116.67 116.74 2ysa s ASP 53 Ca -0.05 2.06 0.15 0.00 0.18 0.00 0.00 52.55 54.88 2ysa s ASP 53 Cb 0.19 -2.61 0.71 0.00 1.07 0.00 0.00 42.92 42.28 2ysa s ASP 53 CO 0.72 -0.06 1.41 -0.81 1.18 0.00 0.00 175.17 177.62 2ysa n PRO 54 N 1.06 0.16 0.00 8.23 -0.04 -1.26 -5.16 135.00 137.99 2ysa n PRO 54 Ca -0.00 0.17 0.15 0.00 -0.04 0.00 0.00 63.50 63.78 2ysa n PRO 54 Cb 0.47 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.14 2ysa n PRO 54 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73