#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpv h PRO 8 N 0.00 1.01 -0.65 1.61 0.13 -2.06 -1.91 132.00 130.13 2wpv h PRO 8 Ca 0.00 -0.26 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 2wpv h PRO 8 Cb 0.00 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 30.98 2wpv h PRO 8 CO 0.00 0.94 0.11 1.49 -0.23 0.00 0.00 178.00 180.30 2wpv h GLU 9 N 0.92 1.08 -0.71 0.86 4.81 -2.05 -0.98 114.58 118.51 2wpv h GLU 9 Ca 0.19 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2wpv h GLU 9 Cb 0.40 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2wpv h GLU 9 CO 0.01 0.99 0.44 1.25 -0.73 0.00 0.00 179.01 180.97 2wpv h HIS 10 N 1.00 0.82 -0.56 0.92 2.76 -1.95 -0.19 115.15 117.95 2wpv h HIS 10 Ca 0.20 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2wpv h HIS 10 Cb 0.44 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 2wpv h HIS 10 CO 0.03 0.46 0.20 1.49 -1.30 0.00 0.00 177.93 178.81 2wpv h GLU 11 N 0.85 0.85 -0.17 5.26 4.22 -0.93 -1.02 114.58 123.64 2wpv h GLU 11 Ca 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 2wpv h GLU 11 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2wpv h GLU 11 CO -0.12 0.76 0.06 0.35 -2.18 0.00 0.00 179.01 177.88 2wpv h PHE 12 N 0.77 0.26 -0.42 0.92 3.57 -0.56 -1.88 116.94 119.61 2wpv h PHE 12 Ca 0.18 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2wpv h PHE 12 Cb 0.24 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2wpv h PHE 12 CO 0.01 0.34 0.23 0.28 -2.23 0.00 0.00 178.31 176.94 2wpv h VAL 13 N 0.11 1.16 -0.33 1.41 2.07 -0.94 0.16 116.25 119.90 2wpv h VAL 13 Ca 0.06 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2wpv h VAL 13 Cb 0.20 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2wpv h VAL 13 CO -0.00 0.16 0.21 -1.28 0.02 0.00 0.00 177.57 176.68 2wpv h SER 14 N 0.54 0.38 -0.30 0.57 0.87 -1.14 -0.45 113.55 114.02 2wpv h SER 14 Ca 0.15 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.54 2wpv h SER 14 Cb 0.06 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2wpv h SER 14 CO -0.02 0.28 -0.40 0.11 -0.53 0.00 0.00 176.83 176.27 2wpv h LYS 15 N 0.44 0.85 -0.46 2.24 1.79 -1.19 -1.36 116.57 118.88 2wpv h LYS 15 Ca 0.12 -0.45 -0.03 0.00 -2.18 0.00 0.00 60.65 58.11 2wpv h LYS 15 Cb -0.04 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2wpv h LYS 15 CO -0.03 1.09 0.16 0.35 -1.08 0.00 0.00 179.45 179.94 2wpv h PHE 16 N 0.69 0.71 -0.40 -1.35 3.57 -0.50 -1.86 116.94 117.80 2wpv h PHE 16 Ca 0.06 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2wpv h PHE 16 Cb 0.97 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2wpv h PHE 16 CO 0.06 0.63 0.15 1.25 -2.23 0.00 0.00 178.31 178.16 2wpv h LEU 17 N 0.60 0.57 -0.65 0.59 5.85 -1.01 0.23 115.31 121.49 2wpv h LEU 17 Ca 0.15 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2wpv h LEU 17 Cb 0.23 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2wpv h LEU 17 CO -0.01 0.60 0.37 0.74 -0.34 0.00 0.00 178.44 179.81 2wpv h THR 18 N 0.51 1.01 0.13 1.05 2.02 -1.04 -2.15 112.91 114.43 2wpv h THR 18 Ca 0.13 -0.24 -0.28 0.00 0.77 0.00 0.00 66.41 66.79 2wpv h THR 18 Cb 0.22 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2wpv h THR 18 CO -0.01 0.13 -1.23 -0.07 0.37 0.00 0.00 175.52 174.71 2wpv h LEU 19 N 0.71 0.56 -2.09 2.58 3.38 -1.20 -2.20 115.31 117.05 2wpv h LEU 19 Ca 0.28 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2wpv h LEU 19 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2wpv h LEU 19 CO -0.15 1.42 -0.08 0.00 0.09 0.00 0.00 178.44 179.71 2wpv h ALA 20 N 0.51 1.38 -0.02 1.53 0.00 -0.31 -2.63 119.26 119.73 2wpv h ALA 20 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wpv h ALA 20 Cb 1.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2wpv h ALA 20 CO 0.21 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.82 2wpv n THR 21 N -3.74 1.64 -0.33 0.00 -2.24 -0.83 -4.70 114.28 104.08 2wpv n THR 21 Ca -0.02 -1.86 0.11 0.00 -2.27 0.00 0.00 64.05 60.01 2wpv n THR 21 Cb 0.18 -0.01 0.28 0.00 -2.10 0.00 0.00 70.33 68.68 2wpv n THR 21 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wpv h LEU 22 N 0.15 0.67 -8.83 3.22 5.85 -1.00 -3.39 115.31 111.99 2wpv h LEU 22 Ca 0.00 0.10 -0.64 0.00 0.84 0.00 0.00 57.88 58.18 2wpv h LEU 22 Cb 0.88 -0.02 -0.22 0.00 0.37 0.00 0.00 40.66 41.67 2wpv h LEU 22 CO 0.01 0.25 -0.85 0.42 -0.34 0.00 0.00 178.44 177.93 2wpv s THR 23 N -5.90 2.06 -0.04 1.05 -4.23 -1.26 -5.09 115.64 102.23 2wpv s THR 23 Ca -0.12 -1.70 -0.36 0.00 -1.18 0.00 0.00 61.69 58.33 2wpv s THR 23 Cb 0.24 -1.85 -0.15 0.00 1.34 0.00 0.00 72.50 72.09 2wpv s THR 23 CO 0.79 0.02 1.63 -0.62 -0.54 0.00 0.00 174.62 175.90 2wpv n GLU 24 N 0.94 1.61 -1.69 3.99 1.02 -1.26 -4.90 120.64 120.35 2wpv n GLU 24 Ca -0.18 0.58 -0.39 0.00 -0.02 0.00 0.00 57.16 57.15 2wpv n GLU 24 Cb 0.53 -2.31 0.03 0.00 -0.02 0.00 0.00 31.44 29.67 2wpv n GLU 24 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wpv n PRO 25 N 4.45 1.57 -0.29 3.49 -0.02 -1.26 -4.87 135.00 138.06 2wpv n PRO 25 Ca 0.21 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 2wpv n PRO 25 Cb 0.22 -2.37 0.25 0.00 -0.02 0.00 0.00 33.50 31.58 2wpv n PRO 25 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2wpv h LYS 26 N 1.47 0.51 -4.88 -0.52 3.64 -1.97 -3.35 116.57 111.47 2wpv h LYS 26 Ca -0.49 -0.03 -0.65 0.00 -1.27 0.00 0.00 60.65 58.21 2wpv h LYS 26 Cb 1.32 -0.11 -0.20 0.00 -0.41 0.00 0.00 32.23 32.82 2wpv h LYS 26 CO 0.57 0.34 -0.56 -0.51 -2.27 0.00 0.00 179.45 177.01 2wpv s LEU 27 N -10.42 3.88 0.86 5.20 1.43 -1.26 -5.09 118.68 113.29 2wpv s LEU 27 Ca -0.12 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 2wpv s LEU 27 Cb 0.23 -2.03 0.11 0.00 0.03 0.00 0.00 46.19 44.53 2wpv s LEU 27 CO 0.78 -0.09 1.11 -2.84 0.23 0.00 0.00 176.35 175.54 2wpv s PRO 28 N 1.68 1.47 0.60 1.29 0.02 -1.26 -4.89 135.00 133.91 2wpv s PRO 28 Ca 0.06 1.27 0.37 0.00 0.02 0.00 0.00 61.00 62.72 2wpv s PRO 28 Cb -0.16 -1.80 1.88 0.00 0.02 0.00 0.00 34.50 34.44 2wpv s PRO 28 CO 0.08 -2.22 2.19 0.87 -0.33 0.00 0.00 177.00 177.58 2wpv h LYS 29 N -1.56 0.00 -0.23 5.54 1.57 -1.98 -1.20 116.57 118.71 2wpv h LYS 29 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2wpv h LYS 29 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2wpv h LYS 29 CO 0.48 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 178.25 2wpv n SER 30 N -3.24 2.29 -4.72 0.86 3.41 -1.26 -4.96 113.62 106.00 2wpv n SER 30 Ca -0.02 -1.81 -0.42 0.00 -0.26 0.00 0.00 58.87 56.36 2wpv n SER 30 Cb 0.18 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2wpv n SER 30 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2wpv s TYR 31 N -1.71 2.99 -0.13 7.33 5.04 -0.46 -5.00 117.35 125.41 2wpv s TYR 31 Ca 0.34 0.56 -0.04 0.00 -2.44 0.00 0.00 57.07 55.50 2wpv s TYR 31 Cb 0.19 -4.00 0.06 0.00 0.35 0.00 0.00 41.96 38.56 2wpv s TYR 31 CO 0.28 -3.68 0.15 0.99 -1.34 0.00 0.00 175.55 171.95 2wpv s THR 32 N 1.03 -0.23 0.07 4.34 2.01 -1.26 -5.01 115.64 116.59 2wpv s THR 32 Ca 0.71 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 2wpv s THR 32 Cb -0.46 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 2wpv s THR 32 CO 0.33 -0.03 1.13 -0.75 -0.69 0.00 0.00 174.62 174.60 2wpv s LYS 33 N 2.26 4.50 0.07 4.92 2.20 -1.26 -4.94 119.74 127.48 2wpv s LYS 33 Ca 0.04 1.67 -0.34 0.00 -0.36 0.00 0.00 55.97 56.98 2wpv s LYS 33 Cb -0.14 -3.36 -0.13 0.00 -1.51 0.00 0.00 37.83 32.69 2wpv s LYS 33 CO -0.08 -0.14 1.65 -2.30 -0.36 0.00 0.00 175.35 174.13 2wpv n PRO 34 N 3.62 2.05 -0.32 4.03 -0.02 -1.26 -4.85 135.00 138.25 2wpv n PRO 34 Ca 0.07 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.42 2wpv n PRO 34 Cb 0.47 -2.52 0.35 0.00 -0.02 0.00 0.00 33.50 31.78 2wpv n PRO 34 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wpv h LEU 35 N 6.84 0.73 -0.59 2.45 6.46 -1.98 0.19 115.31 129.40 2wpv h LEU 35 Ca -0.46 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.36 2wpv h LEU 35 Cb 1.27 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 2wpv h LEU 35 CO 0.90 0.31 0.00 2.29 -0.62 0.00 0.00 178.44 181.32 2wpv n LYS 36 N -4.65 0.11 0.00 1.25 2.85 -1.26 -1.60 118.16 114.86 2wpv n LYS 36 Ca 0.21 0.44 0.12 0.00 -1.05 0.00 0.00 58.31 58.03 2wpv n LYS 36 Cb 0.53 -1.75 0.20 0.00 -0.65 0.00 0.00 35.03 33.37 2wpv n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2wpv n ASP 37 N -1.95 1.17 -4.68 -5.58 8.00 0.66 -4.89 116.55 109.27 2wpv n ASP 37 Ca 0.01 -0.94 -0.42 0.00 0.71 0.00 0.00 54.79 54.15 2wpv n ASP 37 Cb 0.14 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 2wpv n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wpv s VAL 38 N -2.65 4.27 -0.11 2.53 1.01 -0.62 -4.89 120.40 119.93 2wpv s VAL 38 Ca 0.18 1.59 0.03 0.00 0.00 0.00 0.00 61.98 63.78 2wpv s VAL 38 Cb 0.18 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2wpv s VAL 38 CO 0.61 -0.02 0.12 0.35 0.00 0.00 0.00 175.10 176.16 2wpv n THR 39 N 4.72 0.00 -4.08 3.92 -2.24 -1.26 -5.02 114.28 110.32 2wpv n THR 39 Ca 0.11 -0.33 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 2wpv n THR 39 Cb 0.46 0.85 -0.16 0.00 -2.10 0.00 0.00 70.33 69.38 2wpv n THR 39 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wpv s ASN 40 N -1.59 0.62 0.00 3.42 3.84 -1.26 -5.03 114.94 114.94 2wpv s ASN 40 Ca 0.01 -0.08 0.19 0.00 0.21 0.00 0.00 52.86 53.19 2wpv s ASN 40 Cb 0.02 -0.24 0.54 0.00 -0.55 0.00 0.00 41.25 41.02 2wpv s ASN 40 CO 0.13 -0.03 1.45 0.18 -2.79 0.00 0.00 177.10 176.04 2wpv n LEU 41 N 3.71 3.24 0.00 3.21 4.77 -1.26 -5.06 117.00 125.61 2wpv n LEU 41 Ca -0.22 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 2wpv n LEU 41 Cb 0.53 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2wpv n LEU 41 CO 0.24 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2wpv n GLY 42 N 1.47 0.51 3.54 -0.72 0.00 -1.26 -4.88 105.19 103.85 2wpv n GLY 42 Ca 0.20 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2wpv n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wpv s VAL 43 N 0.00 3.07 0.41 1.61 -7.23 -1.26 -5.09 120.40 111.91 2wpv s VAL 43 Ca 0.00 -1.61 -0.26 0.00 -1.81 0.00 0.00 61.98 58.30 2wpv s VAL 43 Cb 0.00 -2.48 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 2wpv s VAL 43 CO 0.00 -0.04 1.42 -2.84 -0.31 0.00 0.00 175.10 173.33 2wpv s PRO 44 N -2.60 3.90 0.42 4.82 0.02 -1.26 -4.99 135.00 135.31 2wpv s PRO 44 Ca 0.23 2.42 -0.04 0.00 0.02 0.00 0.00 61.00 63.62 2wpv s PRO 44 Cb -0.09 -2.79 -0.04 0.00 0.02 0.00 0.00 34.50 31.59 2wpv s PRO 44 CO 0.13 -0.65 0.70 -0.51 -0.33 0.00 0.00 177.00 176.35 2wpv s LEU 45 N -2.43 3.79 0.84 -5.54 1.43 -1.26 -5.05 118.68 110.45 2wpv s LEU 45 Ca 0.57 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.38 2wpv s LEU 45 Cb -0.44 -3.73 0.09 0.00 0.03 0.00 0.00 46.19 42.15 2wpv s LEU 45 CO 0.57 -0.45 1.09 -2.16 0.23 0.00 0.00 176.35 175.63 2wpv s PRO 46 N -4.40 1.76 0.77 1.29 0.04 -1.26 -5.01 135.00 128.20 2wpv s PRO 46 Ca 0.46 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 2wpv s PRO 46 Cb -0.10 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.62 2wpv s PRO 46 CO 0.40 -1.88 1.08 0.95 0.04 0.00 0.00 177.00 177.58 2wpv s THR 47 N -3.02 3.40 0.64 1.26 -4.23 -1.26 -5.01 115.64 107.42 2wpv s THR 47 Ca 0.62 0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 61.44 2wpv s THR 47 Cb -0.16 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 2wpv s THR 47 CO 0.56 -0.59 1.07 -0.76 -0.54 0.00 0.00 174.62 174.36 2wpv s LEU 48 N -5.83 3.39 0.00 4.79 2.01 -1.26 -4.91 118.68 116.87 2wpv s LEU 48 Ca 0.60 1.84 0.12 0.00 0.01 0.00 0.00 54.13 56.70 2wpv s LEU 48 Cb -0.16 -4.53 0.62 0.00 0.01 0.00 0.00 46.19 42.13 2wpv s LEU 48 CO 0.56 -1.39 1.42 2.29 1.01 0.00 0.00 176.35 180.24 2wpv n LYS 49 N -2.39 1.20 -4.26 1.70 2.85 -1.26 -4.79 118.16 111.21 2wpv n LYS 49 Ca 0.09 -0.31 -0.20 0.00 -1.05 0.00 0.00 58.31 56.84 2wpv n LYS 49 Cb 0.53 -1.21 -0.12 0.00 -0.65 0.00 0.00 35.03 33.58 2wpv n LYS 49 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2wpv s TYR 50 N -1.92 1.56 0.93 5.58 2.02 -1.26 -5.15 117.35 119.12 2wpv s TYR 50 Ca 0.19 -0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 56.26 2wpv s TYR 50 Cb 0.09 -0.82 0.16 0.00 -0.40 0.00 0.00 41.96 40.99 2wpv s TYR 50 CO 0.15 0.19 1.25 -1.59 -1.57 0.00 0.00 175.55 173.98 2wpv s LYS 51 N -2.39 0.96 -0.07 -0.62 -2.85 -1.26 -5.05 119.74 108.45 2wpv s LYS 51 Ca 0.08 -0.16 -0.03 0.00 -1.00 0.00 0.00 55.97 54.87 2wpv s LYS 51 Cb -0.07 -1.86 -0.04 0.00 -2.06 0.00 0.00 37.83 33.80 2wpv s LYS 51 CO 0.04 -2.23 0.05 -0.47 0.10 0.00 0.00 175.35 172.83 2wpv s TYR 52 N -3.68 3.28 -1.49 1.78 6.14 -1.26 -5.13 117.35 116.99 2wpv s TYR 52 Ca 0.69 0.27 0.12 0.00 0.64 0.00 0.00 57.07 58.79 2wpv s TYR 52 Cb -0.07 -1.81 0.09 0.00 0.42 0.00 0.00 41.96 40.59 2wpv s TYR 52 CO 0.52 0.54 0.88 0.36 0.64 0.00 0.00 175.55 178.49