#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuf n VAL 2 N 0.00 -0.90 0.00 3.34 0.31 -1.26 -4.89 118.33 114.93 1yuf n VAL 2 Ca 0.00 0.94 0.00 0.00 -0.01 0.00 0.00 64.34 65.27 1yuf n VAL 2 Cb 0.00 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1yuf n VAL 2 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1yuf n SER 3 N -4.38 -0.09 0.00 4.52 2.88 -1.26 -5.01 113.62 110.28 1yuf n SER 3 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1yuf n SER 3 Cb 0.70 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 1yuf n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yuf n HIS 4 N -0.97 -0.83 0.00 0.66 -0.00 -1.26 -4.90 115.22 107.91 1yuf n HIS 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1yuf n HIS 4 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 1yuf n HIS 4 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1yuf n PHE 5 N -1.75 0.00 -3.89 -1.40 3.72 -1.26 -4.38 117.46 108.51 1yuf n PHE 5 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1yuf n PHE 5 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 1yuf n PHE 5 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1yuf n ASN 6 N 0.00 -0.51 -4.33 4.37 0.23 -0.94 -4.75 115.26 109.33 1yuf n ASN 6 Ca 0.00 -1.86 -0.34 0.00 -0.53 0.00 0.00 54.58 51.85 1yuf n ASN 6 Cb 0.00 0.99 0.10 0.00 -2.08 0.00 0.00 39.78 38.79 1yuf n ASN 6 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1yuf n ASP 7 N -2.07 -2.91 -3.95 0.53 9.92 -1.26 -3.88 116.55 112.92 1yuf n ASP 7 Ca 0.01 0.32 -0.31 0.00 -0.53 0.00 0.00 54.79 54.28 1yuf n ASP 7 Cb 0.26 -1.11 -0.15 0.00 -0.64 0.00 0.00 41.12 39.48 1yuf n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yuf s PRO 9 N 0.90 -0.46 -0.10 0.00 0.04 -1.26 -4.84 135.00 129.28 1yuf s PRO 9 Ca 0.12 -0.31 -0.07 0.00 0.04 0.00 0.00 61.00 60.78 1yuf s PRO 9 Cb -0.19 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1yuf s PRO 9 CO -0.10 -3.16 -0.13 -0.40 0.04 0.00 0.00 177.00 173.24 1yuf n ASP 10 N -4.32 1.21 -3.12 6.66 5.75 -1.26 -4.90 116.55 116.57 1yuf n ASP 10 Ca 0.15 0.48 -0.19 0.00 -0.01 0.00 0.00 54.79 55.22 1yuf n ASP 10 Cb 0.59 -0.74 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 1yuf n ASP 10 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1yuf n SER 11 N -3.83 -1.17 0.00 -1.12 3.41 -1.26 -4.07 113.62 105.58 1yuf n SER 11 Ca -0.05 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1yuf n SER 11 Cb 0.20 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 1yuf n SER 11 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1yuf n HIS 12 N -2.75 0.00 -1.39 7.33 8.25 -1.26 -4.66 115.22 120.74 1yuf n HIS 12 Ca 0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.43 1yuf n HIS 12 Cb 0.38 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 1yuf n HIS 12 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1yuf n THR 13 N 0.00 -0.05 -2.81 1.59 5.66 -1.26 -0.22 114.28 117.19 1yuf n THR 13 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1yuf n THR 13 Cb 0.00 -0.80 0.05 0.00 -1.55 0.00 0.00 70.33 68.03 1yuf n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yuf n GLN 14 N -1.67 -2.76 0.00 1.09 6.02 -1.26 -5.04 117.38 113.75 1yuf n GLN 14 Ca -0.08 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1yuf n GLN 14 Cb 0.30 -4.61 0.00 0.00 1.02 0.00 0.00 30.24 26.95 1yuf n GLN 14 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1yuf n PHE 15 N -2.87 0.00 -4.19 1.08 7.35 0.70 -4.93 117.46 114.59 1yuf n PHE 15 Ca -0.11 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.24 1yuf n PHE 15 Cb 0.60 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.30 1yuf n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1yuf h PHE 17 N 7.38 0.00 -0.19 0.00 0.04 -1.51 -3.33 116.94 119.33 1yuf h PHE 17 Ca -0.35 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.26 1yuf h PHE 17 Cb 1.18 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.19 1yuf h PHE 17 CO 0.57 0.01 -0.37 1.58 -0.60 0.00 0.00 178.31 179.49 1yuf n HIS 18 N -3.67 -2.67 -3.38 -0.55 -0.00 -1.14 -4.86 115.22 98.95 1yuf n HIS 18 Ca -0.03 -1.39 -0.01 0.00 0.46 0.00 0.00 57.72 56.76 1yuf n HIS 18 Cb 0.09 1.42 -0.00 0.00 -0.12 0.00 0.00 29.99 31.38 1yuf n HIS 18 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yuf n GLY 19 N 1.92 2.62 3.85 1.57 0.00 -1.25 -3.71 105.19 110.18 1yuf n GLY 19 Ca 0.09 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 1yuf n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yuf s THR 20 N -2.65 4.44 0.02 2.61 -4.23 0.30 -4.84 115.64 111.28 1yuf s THR 20 Ca 0.01 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.40 1yuf s THR 20 Cb -0.00 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 1yuf s THR 20 CO 0.01 -0.97 -0.04 0.00 -0.54 0.00 0.00 174.62 173.09 1yuf s ARG 22 N -0.89 0.46 -0.43 0.00 1.70 -0.79 -4.78 118.95 114.22 1yuf s ARG 22 Ca -0.07 1.26 -0.07 0.00 -0.47 0.00 0.00 55.73 56.38 1yuf s ARG 22 Cb -0.06 0.62 0.11 0.00 -0.57 0.00 0.00 34.95 35.04 1yuf s ARG 22 CO -0.00 -0.22 0.26 0.12 -1.08 0.00 0.00 175.30 174.38 1yuf s PHE 23 N 2.75 3.47 -1.07 5.89 5.36 -1.25 -2.10 117.98 131.04 1yuf s PHE 23 Ca -0.04 -2.02 -0.24 0.00 -0.96 0.00 0.00 56.93 53.67 1yuf s PHE 23 Cb -0.12 -3.25 -0.15 0.00 -0.34 0.00 0.00 43.02 39.16 1yuf s PHE 23 CO -0.16 -0.95 1.97 -0.11 -1.46 0.00 0.00 175.22 174.50 1yuf n LEU 24 N 4.78 2.57 -0.35 6.12 7.94 -1.05 -2.21 117.00 134.80 1yuf n LEU 24 Ca -0.06 -2.88 0.11 0.00 -1.11 0.00 0.00 56.01 52.06 1yuf n LEU 24 Cb 0.41 -1.63 0.22 0.00 0.53 0.00 0.00 43.42 42.96 1yuf n LEU 24 CO 0.38 -2.24 0.73 0.55 -1.11 0.00 0.00 177.39 175.70 1yuf n VAL 25 N 7.98 -0.42 -0.30 1.96 3.14 -1.26 0.13 118.33 129.57 1yuf n VAL 25 Ca 0.44 2.22 0.14 0.00 -2.96 0.00 0.00 64.34 64.19 1yuf n VAL 25 Cb 0.46 -3.16 0.28 0.00 -1.06 0.00 0.00 33.84 30.36 1yuf n VAL 25 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yuf n GLN 26 N -5.54 -0.07 -0.42 1.45 6.02 -1.26 0.79 117.38 118.35 1yuf n GLN 26 Ca 0.20 1.28 0.07 0.00 -0.01 0.00 0.00 57.00 58.54 1yuf n GLN 26 Cb 0.64 -2.06 0.15 0.00 1.02 0.00 0.00 30.24 30.00 1yuf n GLN 26 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1yuf n GLU 27 N -5.21 1.23 -2.99 -1.09 1.02 0.32 -4.97 120.64 108.96 1yuf n GLU 27 Ca 0.22 -2.74 -0.14 0.00 -0.02 0.00 0.00 57.16 54.48 1yuf n GLU 27 Cb 0.71 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.72 1yuf n GLU 27 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1yuf n ASP 28 N -1.07 -0.05 -4.37 1.62 5.75 0.34 -4.78 116.55 113.99 1yuf n ASP 28 Ca 0.15 -0.48 -0.42 0.00 -0.01 0.00 0.00 54.79 54.03 1yuf n ASP 28 Cb 0.70 -0.61 -0.10 0.00 -1.03 0.00 0.00 41.12 40.09 1yuf n ASP 28 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1yuf s LYS 29 N -4.17 2.84 -0.15 0.11 -0.14 -1.07 -4.92 119.74 112.24 1yuf s LYS 29 Ca 0.12 -1.25 -0.29 0.00 -1.36 0.00 0.00 55.97 53.19 1yuf s LYS 29 Cb -0.07 -3.92 -0.02 0.00 -1.68 0.00 0.00 37.83 32.14 1yuf s LYS 29 CO 0.39 -0.87 1.27 -1.25 -0.76 0.00 0.00 175.35 174.12 1yuf s PRO 30 N 1.57 4.24 -0.17 -1.68 0.04 -1.26 -2.52 135.00 135.23 1yuf s PRO 30 Ca 0.03 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 1yuf s PRO 30 Cb -0.22 -3.75 0.08 0.00 0.04 0.00 0.00 34.50 30.66 1yuf s PRO 30 CO 0.06 -0.68 0.30 0.00 0.04 0.00 0.00 177.00 176.72 1yuf s ALA 31 N 3.36 -0.69 0.52 8.56 0.00 -0.89 -5.04 121.76 127.58 1yuf s ALA 31 Ca 0.55 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.52 1yuf s ALA 31 Cb -0.22 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.73 1yuf s ALA 31 CO 0.16 -0.82 0.51 0.00 0.00 0.00 0.00 175.76 175.61 1yuf s VAL 33 N -2.66 0.15 0.87 0.00 1.01 0.22 -4.93 120.40 115.06 1yuf s VAL 33 Ca 0.46 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1yuf s VAL 33 Cb -0.04 -0.78 0.11 0.00 0.00 0.00 0.00 36.38 35.68 1yuf s VAL 33 CO 0.28 -0.69 1.11 0.00 0.00 0.00 0.00 175.10 175.79 1yuf s HIS 35 N -3.13 3.60 -0.22 0.00 3.76 -1.24 -4.13 115.29 113.92 1yuf s HIS 35 Ca 0.63 -2.92 -0.34 0.00 -0.15 0.00 0.00 55.06 52.27 1yuf s HIS 35 Cb -0.16 -2.98 -0.16 0.00 1.11 0.00 0.00 32.58 30.40 1yuf s HIS 35 CO 0.55 -0.91 1.07 0.45 -0.85 0.00 0.00 174.74 175.05 1yuf n SER 36 N 4.04 0.52 0.00 1.40 2.88 -1.26 -3.14 113.62 118.06 1yuf n SER 36 Ca 0.03 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1yuf n SER 36 Cb 0.40 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1yuf n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1yuf n GLY 37 N 2.26 0.21 0.00 0.46 0.00 -1.26 -5.13 105.19 101.72 1yuf n GLY 37 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1yuf n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yuf n TYR 38 N 0.00 -0.68 0.00 1.61 4.01 -1.19 -3.77 117.16 117.15 1yuf n TYR 38 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1yuf n TYR 38 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1yuf n TYR 38 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1yuf n VAL 39 N -0.23 0.00 -0.82 -0.72 0.31 -0.68 -4.32 118.33 111.87 1yuf n VAL 39 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1yuf n VAL 39 Cb 0.00 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 1yuf n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yuf n GLY 40 N 2.31 -1.90 0.35 2.92 0.00 -1.26 -4.68 105.19 102.94 1yuf n GLY 40 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1yuf n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yuf h ALA 41 N 0.11 -0.91 0.00 4.61 0.00 -1.98 0.12 119.26 121.20 1yuf h ALA 41 Ca -0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1yuf h ALA 41 Cb 0.93 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1yuf h ALA 41 CO 0.29 -0.99 0.00 -0.09 0.00 0.00 0.00 179.25 178.45 1yuf h ARG 42 N -0.58 0.00 -0.82 0.00 2.43 -1.87 -3.45 114.38 110.07 1yuf h ARG 42 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1yuf h ARG 42 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1yuf h ARG 42 CO -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.29 1yuf h GLU 44 N 0.00 0.22 -6.50 0.00 4.57 -1.88 -3.03 114.58 107.96 1yuf h GLU 44 Ca 0.00 -0.38 -0.49 0.00 -1.18 0.00 0.00 59.36 57.31 1yuf h GLU 44 Cb 0.60 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1yuf h GLU 44 CO 0.00 1.05 -0.18 -1.01 -1.18 0.00 0.00 179.01 177.69 1yuf s HIS 45 N -2.59 3.50 -0.25 0.92 3.76 -1.26 -4.96 115.29 114.41 1yuf s HIS 45 Ca -0.14 0.43 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 1yuf s HIS 45 Cb 0.07 -1.95 0.06 0.00 1.11 0.00 0.00 32.58 31.87 1yuf s HIS 45 CO 0.82 0.14 -0.07 0.00 -0.85 0.00 0.00 174.74 174.78 1yuf s ALA 46 N -2.24 2.22 0.39 -1.40 0.00 -1.26 -1.69 121.76 117.77 1yuf s ALA 46 Ca 0.41 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1yuf s ALA 46 Cb -0.10 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1yuf s ALA 46 CO 0.34 -1.22 0.00 -3.47 0.00 0.00 0.00 175.76 171.41 1yuf n ASP 47 N 4.57 -6.53 -1.24 0.00 2.03 -1.25 -4.15 116.55 109.98 1yuf n ASP 47 Ca -0.12 0.84 0.04 0.00 0.52 0.00 0.00 54.79 56.07 1yuf n ASP 47 Cb 0.43 -3.99 0.22 0.00 -0.72 0.00 0.00 41.12 37.06 1yuf n ASP 47 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1yuf n LEU 48 N -3.80 3.54 -3.08 -2.67 7.94 -1.26 -4.81 117.00 112.86 1yuf n LEU 48 Ca -0.04 -1.79 -0.01 0.00 -1.11 0.00 0.00 56.01 53.06 1yuf n LEU 48 Cb 0.62 -0.59 0.01 0.00 0.53 0.00 0.00 43.42 43.99 1yuf n LEU 48 CO 0.02 0.46 0.32 0.18 -1.11 0.00 0.00 177.39 177.27 1yuf n LEU 49 N 0.36 -6.71 0.00 -1.96 4.32 -1.26 -5.25 117.00 106.50 1yuf n LEU 49 Ca 0.15 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 1yuf n LEU 49 Cb 0.75 -3.31 0.00 0.00 -1.62 0.00 0.00 43.42 39.24 1yuf n LEU 49 CO 0.18 -1.03 0.02 0.00 -1.22 0.00 0.00 177.39 175.33