#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuf h VAL 2 N 0.00 1.32 -4.26 1.55 3.04 -2.04 -3.51 116.25 112.36 1yuf h VAL 2 Ca 0.00 -2.30 0.00 0.00 -1.01 0.00 0.00 66.70 63.39 1yuf h VAL 2 Cb 0.00 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 1yuf h VAL 2 CO 0.00 0.51 -0.93 -1.54 -1.01 0.00 0.00 177.57 174.59 1yuf n SER 3 N -4.42 -8.84 0.00 3.17 3.41 -1.26 -5.04 113.62 100.64 1yuf n SER 3 Ca -0.21 1.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1yuf n SER 3 Cb 0.64 -4.98 0.00 0.00 -0.26 0.00 0.00 64.21 59.61 1yuf n SER 3 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1yuf n HIS 4 N 1.78 0.00 0.00 7.33 -0.00 -1.26 -4.88 115.22 118.19 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 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 0.00 0.00 0.00 1.57 3.72 -1.26 -4.41 117.46 117.09 1yuf n PHE 5 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1yuf n PHE 5 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1yuf n PHE 5 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1yuf n ASN 6 N 0.00 0.00 -4.58 4.37 5.03 -1.23 -4.94 115.26 113.91 1yuf n ASN 6 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1yuf n ASN 6 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1yuf n ASN 6 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1yuf s ASP 7 N 1.98 5.31 -0.15 6.41 1.01 -1.26 -4.81 116.67 125.15 1yuf s ASP 7 Ca 0.00 1.28 -0.15 0.00 0.71 0.00 0.00 52.55 54.39 1yuf s ASP 7 Cb 0.00 -2.52 -0.12 0.00 1.01 0.00 0.00 42.92 41.30 1yuf s ASP 7 CO 0.00 -2.17 0.15 0.00 0.21 0.00 0.00 175.17 173.36 1yuf s PRO 9 N -2.14 3.21 0.00 0.00 0.04 -1.26 -4.56 135.00 130.29 1yuf s PRO 9 Ca -0.17 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1yuf s PRO 9 Cb 0.02 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1yuf s PRO 9 CO 0.38 -2.04 0.57 -0.25 0.04 0.00 0.00 177.00 175.70 1yuf n ASP 10 N 10.02 -0.24 0.00 6.66 9.92 -1.26 -4.97 116.55 136.68 1yuf n ASP 10 Ca 0.14 -1.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.26 1yuf n ASP 10 Cb 0.49 0.07 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1yuf n ASP 10 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1yuf n SER 11 N 0.00 0.00 0.00 -2.24 7.64 -1.26 -4.96 113.62 112.80 1yuf n SER 11 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1yuf n SER 11 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1yuf n SER 11 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1yuf n HIS 12 N 0.00 0.00 -0.09 1.43 8.25 -1.26 -4.91 115.22 118.64 1yuf n HIS 12 Ca 0.00 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.69 1yuf n HIS 12 Cb 0.00 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.51 1yuf n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yuf h THR 13 N 0.00 0.03 -0.09 1.59 1.03 -1.93 1.47 112.91 115.02 1yuf h THR 13 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.36 1yuf h THR 13 Cb 0.00 0.08 -0.02 0.00 -1.07 0.00 0.00 68.15 67.13 1yuf h THR 13 CO 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 175.52 175.56 1yuf n GLN 14 N -3.16 1.19 -0.21 0.00 6.02 -1.26 -3.83 117.38 116.13 1yuf n GLN 14 Ca 0.18 -0.30 0.06 0.00 -0.01 0.00 0.00 57.00 56.93 1yuf n GLN 14 Cb 1.34 -1.23 0.17 0.00 1.02 0.00 0.00 30.24 31.54 1yuf n GLN 14 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1yuf n PHE 15 N 0.27 0.53 -3.47 1.08 3.01 0.50 -4.69 117.46 114.70 1yuf n PHE 15 Ca 0.05 -0.25 -0.06 0.00 1.01 0.00 0.00 57.45 58.20 1yuf n PHE 15 Cb 0.55 -0.02 -0.07 0.00 -0.01 0.00 0.00 39.48 39.92 1yuf n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yuf h PHE 17 N 8.13 0.09 -0.61 0.00 0.04 -1.84 -3.39 116.94 119.36 1yuf h PHE 17 Ca -0.18 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.54 1yuf h PHE 17 Cb 1.13 0.04 -0.16 0.00 2.20 0.00 0.00 35.95 39.17 1yuf h PHE 17 CO 0.18 -0.06 -0.33 1.58 -0.60 0.00 0.00 178.31 179.09 1yuf n HIS 18 N -5.17 -2.44 -4.12 -0.55 -0.00 -1.26 -5.11 115.22 96.56 1yuf n HIS 18 Ca 0.07 -1.06 -0.13 0.00 -0.00 0.00 0.00 57.72 56.60 1yuf n HIS 18 Cb 0.29 1.31 -0.05 0.00 -0.00 0.00 0.00 29.99 31.54 1yuf n HIS 18 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1yuf n GLY 19 N 2.74 2.97 3.82 1.57 0.00 -1.26 -3.96 105.19 111.07 1yuf n GLY 19 Ca 0.15 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 1yuf n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yuf s THR 20 N -2.90 4.29 -0.15 2.61 2.01 0.63 -4.82 115.64 117.30 1yuf s THR 20 Ca 0.27 1.24 -0.07 0.00 0.31 0.00 0.00 61.69 63.44 1yuf s THR 20 Cb 0.01 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1yuf s THR 20 CO 0.19 -0.48 0.11 0.00 -0.69 0.00 0.00 174.62 173.75 1yuf s ARG 22 N -0.41 0.65 -0.11 0.00 0.52 0.15 -4.87 118.95 114.89 1yuf s ARG 22 Ca 0.11 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 55.04 1yuf s ARG 22 Cb -0.12 -0.22 0.03 0.00 0.52 0.00 0.00 34.95 35.17 1yuf s ARG 22 CO 0.01 -1.14 -0.04 0.12 0.02 0.00 0.00 175.30 174.27 1yuf s PHE 23 N 1.97 1.17 -0.60 -0.53 5.36 -1.26 -1.24 117.98 122.85 1yuf s PHE 23 Ca 0.14 -0.57 -0.25 0.00 -0.96 0.00 0.00 56.93 55.29 1yuf s PHE 23 Cb -0.10 -1.06 0.04 0.00 -0.34 0.00 0.00 43.02 41.56 1yuf s PHE 23 CO -0.13 -0.46 1.06 -0.51 -1.46 0.00 0.00 175.22 173.72 1yuf s LEU 24 N 1.81 3.83 0.16 6.12 1.43 -1.14 -3.52 118.68 127.37 1yuf s LEU 24 Ca 0.04 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 1yuf s LEU 24 Cb -0.13 -2.83 0.04 0.00 0.03 0.00 0.00 46.19 43.30 1yuf s LEU 24 CO -0.07 -1.41 1.61 1.62 0.23 0.00 0.00 176.35 178.33 1yuf h VAL 25 N 6.05 0.29 0.00 -1.59 3.04 -1.88 3.43 116.25 125.59 1yuf h VAL 25 Ca -0.26 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1yuf h VAL 25 Cb 1.07 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1yuf h VAL 25 CO 1.15 0.00 0.09 1.56 -1.01 0.00 0.00 177.57 179.37 1yuf h GLN 26 N -0.28 0.00 -0.09 4.17 1.08 -1.89 0.48 115.11 118.58 1yuf h GLN 26 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1yuf h GLN 26 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1yuf h GLN 26 CO -0.46 0.00 0.00 -1.91 -0.95 0.00 0.00 178.83 175.51 1yuf n GLU 27 N -2.67 1.31 -2.97 1.46 4.07 0.34 -4.59 120.64 117.59 1yuf n GLU 27 Ca -0.02 -1.31 -0.11 0.00 -0.06 0.00 0.00 57.16 55.66 1yuf n GLU 27 Cb 0.14 -1.13 -0.03 0.00 -0.06 0.00 0.00 31.44 30.36 1yuf n GLU 27 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1yuf n ASP 28 N 0.21 0.10 -4.02 4.31 5.68 1.06 -4.80 116.55 119.08 1yuf n ASP 28 Ca 0.05 -0.43 -0.31 0.00 -0.50 0.00 0.00 54.79 53.60 1yuf n ASP 28 Cb 0.25 -0.53 -0.15 0.00 -1.14 0.00 0.00 41.12 39.54 1yuf n ASP 28 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1yuf s LYS 29 N -4.14 1.54 0.11 0.11 1.02 -1.07 -4.98 119.74 112.33 1yuf s LYS 29 Ca 0.07 -1.84 -0.30 0.00 0.02 0.00 0.00 55.97 53.92 1yuf s LYS 29 Cb -0.04 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 34.02 1yuf s LYS 29 CO 0.34 -0.91 1.14 -1.25 -0.92 0.00 0.00 175.35 173.75 1yuf s PRO 30 N 0.92 4.51 -0.30 -1.68 0.04 -1.26 -2.89 135.00 134.33 1yuf s PRO 30 Ca 0.09 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 1yuf s PRO 30 Cb -0.19 -3.32 0.15 0.00 0.04 0.00 0.00 34.50 31.18 1yuf s PRO 30 CO -0.08 -0.09 0.72 0.00 0.04 0.00 0.00 177.00 177.59 1yuf s ALA 31 N 0.45 -2.25 -0.18 8.56 0.00 -0.38 -4.97 121.76 122.99 1yuf s ALA 31 Ca 0.54 2.19 -0.01 0.00 0.00 0.00 0.00 51.96 54.68 1yuf s ALA 31 Cb -0.29 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1yuf s ALA 31 CO 0.32 -1.01 -0.13 0.00 0.00 0.00 0.00 175.76 174.94 1yuf s VAL 33 N 1.13 2.03 0.00 0.00 0.11 0.13 -4.71 120.40 119.08 1yuf s VAL 33 Ca 0.01 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1yuf s VAL 33 Cb -0.14 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1yuf s VAL 33 CO -0.04 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.73 1yuf n HIS 35 N -2.31 0.41 -3.17 0.00 -0.00 -1.25 -0.04 115.22 108.86 1yuf n HIS 35 Ca 0.00 -1.06 -0.01 0.00 0.46 0.00 0.00 57.72 57.12 1yuf n HIS 35 Cb 0.00 -0.19 0.00 0.00 -0.12 0.00 0.00 29.99 29.68 1yuf n HIS 35 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1yuf n SER 36 N 0.03 -6.64 0.00 0.26 3.41 -1.26 -4.86 113.62 104.57 1yuf n SER 36 Ca 0.09 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1yuf n SER 36 Cb 1.01 -1.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 1yuf n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yuf n GLY 37 N 1.24 0.00 0.58 5.00 0.00 -1.26 -5.17 105.19 105.58 1yuf n GLY 37 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.15 0.00 1.61 4.02 -1.26 -4.84 117.16 115.54 1yuf n TYR 38 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 1yuf n TYR 38 Cb 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1yuf n TYR 38 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1yuf n VAL 39 N -0.08 0.00 -4.09 -0.72 0.31 -0.11 -4.34 118.33 109.29 1yuf n VAL 39 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.24 1yuf n VAL 39 Cb 0.09 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.99 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 4.39 3.57 6.84 2.92 0.00 -1.26 -4.94 105.19 116.70 1yuf n GLY 40 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1yuf n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yuf n ALA 41 N -2.13 0.00 1.12 4.61 0.00 -1.26 -2.97 120.51 119.89 1yuf n ALA 41 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1yuf n ALA 41 Cb 0.23 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.77 1yuf n ALA 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1yuf n ARG 42 N 11.73 1.63 -2.61 0.00 0.63 -1.26 -4.82 116.66 121.95 1yuf n ARG 42 Ca 0.00 -0.76 -0.05 0.00 -0.92 0.00 0.00 57.85 56.12 1yuf n ARG 42 Cb 0.00 -1.31 0.01 0.00 0.45 0.00 0.00 32.46 31.62 1yuf n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1yuf h GLU 44 N -0.47 0.28 -7.31 0.00 4.81 -1.88 -3.40 114.58 106.61 1yuf h GLU 44 Ca -0.12 -0.47 -0.50 0.00 -0.13 0.00 0.00 59.36 58.14 1yuf h GLU 44 Cb 1.08 0.18 0.06 0.00 0.63 0.00 0.00 28.75 30.69 1yuf h GLU 44 CO 0.12 1.19 0.35 -1.01 -0.73 0.00 0.00 179.01 178.93 1yuf s HIS 45 N -2.57 3.51 -0.14 0.92 3.76 -1.26 -4.96 115.29 114.55 1yuf s HIS 45 Ca -0.20 1.10 -0.03 0.00 -0.15 0.00 0.00 55.06 55.78 1yuf s HIS 45 Cb 0.06 -2.76 0.05 0.00 1.11 0.00 0.00 32.58 31.05 1yuf s HIS 45 CO 0.79 -0.77 0.06 0.00 -0.85 0.00 0.00 174.74 173.97 1yuf s ALA 46 N -3.15 0.55 0.98 -1.40 0.00 -1.26 -0.94 121.76 116.54 1yuf s ALA 46 Ca 0.55 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.10 1yuf s ALA 46 Cb -0.11 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.11 1yuf s ALA 46 CO 0.51 -0.95 0.34 -3.47 0.00 0.00 0.00 175.76 172.20 1yuf n ASP 47 N 5.22 -2.16 -0.06 0.00 -0.08 -1.26 -4.81 116.55 113.41 1yuf n ASP 47 Ca -0.07 0.26 0.08 0.00 -1.51 0.00 0.00 54.79 53.55 1yuf n ASP 47 Cb 0.49 -1.17 0.11 0.00 2.34 0.00 0.00 41.12 42.89 1yuf n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1yuf n LEU 48 N -1.36 2.27 0.00 -2.67 7.99 -1.26 -4.93 117.00 117.03 1yuf n LEU 48 Ca 0.06 -2.84 0.00 0.00 -0.01 0.00 0.00 56.01 53.21 1yuf n LEU 48 Cb 0.55 -0.33 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 1yuf n LEU 48 CO 0.51 0.66 0.00 0.18 -1.51 0.00 0.00 177.39 177.23 1yuf n LEU 49 N -1.23 0.00 -0.32 2.23 4.32 -1.26 -5.30 117.00 115.44 1yuf n LEU 49 Ca 0.12 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.26 1yuf n LEU 49 Cb 0.55 0.00 0.67 0.00 -1.62 0.00 0.00 43.42 43.02 1yuf n LEU 49 CO 0.01 0.00 0.95 0.00 -1.22 0.00 0.00 177.39 177.13