#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 0.04 -0.46 1.61 0.11 -2.06 -2.31 132.00 128.94 2wpv h PRO 8 Ca 0.00 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 2wpv h PRO 8 Cb 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2wpv h PRO 8 CO 0.00 0.20 -0.03 1.49 -0.21 0.00 0.00 178.00 179.45 2wpv h GLU 9 N 0.04 0.83 -0.63 1.05 4.81 -2.05 -1.55 114.58 117.08 2wpv h GLU 9 Ca 0.01 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.01 2wpv h GLU 9 Cb 0.31 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 2wpv h GLU 9 CO 0.02 0.90 0.36 1.25 -0.73 0.00 0.00 179.01 180.81 2wpv h HIS 10 N 0.68 0.66 -0.52 0.92 2.76 -1.86 0.11 115.15 117.90 2wpv h HIS 10 Ca 0.13 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2wpv h HIS 10 Cb 0.54 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 2wpv h HIS 10 CO 0.04 0.33 0.25 0.93 -1.30 0.00 0.00 177.93 178.19 2wpv h GLU 11 N 0.68 0.75 -0.21 5.26 3.07 -1.21 -1.13 114.58 121.78 2wpv h GLU 11 Ca 0.27 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 2wpv h GLU 11 Cb 0.13 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2wpv h GLU 11 CO -0.16 0.62 0.05 0.35 -1.40 0.00 0.00 179.01 178.47 2wpv h PHE 12 N 0.69 0.35 -0.35 4.33 3.04 -0.52 -1.57 116.94 122.92 2wpv h PHE 12 Ca 0.18 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.09 2wpv h PHE 12 Cb 0.12 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 2wpv h PHE 12 CO -0.01 0.44 0.23 0.28 -2.02 0.00 0.00 178.31 177.24 2wpv h VAL 13 N 0.16 1.09 -0.34 1.41 2.07 -0.68 0.72 116.25 120.68 2wpv h VAL 13 Ca 0.07 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2wpv h VAL 13 Cb 0.27 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2wpv h VAL 13 CO 0.00 0.09 0.22 -1.28 0.02 0.00 0.00 177.57 176.61 2wpv h SER 14 N 0.47 0.40 -0.34 0.57 0.87 -1.15 -1.02 113.55 113.35 2wpv h SER 14 Ca 0.13 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 2wpv h SER 14 Cb -0.05 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2wpv h SER 14 CO -0.03 0.31 -0.27 0.11 -0.53 0.00 0.00 176.83 176.42 2wpv h LYS 15 N 0.45 0.79 -0.38 2.24 6.56 -1.13 -2.13 116.57 122.98 2wpv h LYS 15 Ca 0.12 -0.39 0.03 0.00 -1.06 0.00 0.00 60.65 59.35 2wpv h LYS 15 Cb -0.02 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.61 2wpv h LYS 15 CO -0.03 1.02 0.19 0.35 -2.06 0.00 0.00 179.45 178.93 2wpv h PHE 16 N 0.57 0.36 -0.73 -1.35 3.57 -0.70 -1.32 116.94 117.35 2wpv h PHE 16 Ca 0.06 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 2wpv h PHE 16 Cb 0.84 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 2wpv h PHE 16 CO 0.07 0.19 0.20 1.25 -2.23 0.00 0.00 178.31 177.79 2wpv h LEU 17 N 0.40 1.09 -0.80 0.59 5.85 -1.16 0.17 115.31 121.45 2wpv h LEU 17 Ca 0.16 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2wpv h LEU 17 Cb 0.06 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2wpv h LEU 17 CO -0.10 1.03 0.43 0.74 -0.34 0.00 0.00 178.44 180.20 2wpv h THR 18 N 1.10 1.24 0.17 1.05 2.02 -0.93 -2.17 112.91 115.39 2wpv h THR 18 Ca 0.23 -0.61 -0.30 0.00 0.77 0.00 0.00 66.41 66.50 2wpv h THR 18 Cb 0.35 0.18 0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2wpv h THR 18 CO -0.00 0.27 -1.32 -0.07 0.37 0.00 0.00 175.52 174.77 2wpv h LEU 19 N 1.12 0.65 -2.08 2.58 3.38 -0.99 -1.98 115.31 117.98 2wpv h LEU 19 Ca 0.28 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 2wpv h LEU 19 Cb 0.05 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2wpv h LEU 19 CO -0.04 1.52 -0.08 0.00 0.09 0.00 0.00 178.44 179.92 2wpv h ALA 20 N 0.39 1.28 -0.17 1.53 0.00 -0.57 -2.29 119.26 119.44 2wpv h ALA 20 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wpv h ALA 20 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2wpv h ALA 20 CO 0.23 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.84 2wpv n THR 21 N -3.60 1.58 -0.13 0.00 -2.24 -0.83 -4.66 114.28 104.41 2wpv n THR 21 Ca -0.02 -1.55 -0.04 0.00 -2.27 0.00 0.00 64.05 60.17 2wpv n THR 21 Cb 0.20 0.11 0.04 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.05 0.01 -9.27 3.22 6.46 -0.74 -3.40 115.31 112.64 2wpv h LEU 22 Ca 0.00 0.07 -0.66 0.00 -0.12 0.00 0.00 57.88 57.18 2wpv h LEU 22 Cb 0.95 0.10 -0.15 0.00 -0.73 0.00 0.00 40.66 40.82 2wpv h LEU 22 CO 0.07 0.04 -0.74 0.28 -0.62 0.00 0.00 178.44 177.47 2wpv s THR 23 N -6.15 3.31 0.09 1.05 -1.32 -1.26 -5.07 115.64 106.27 2wpv s THR 23 Ca -0.13 -1.37 -0.31 0.00 -1.21 0.00 0.00 61.69 58.67 2wpv s THR 23 Cb 0.14 -2.57 -0.09 0.00 -1.51 0.00 0.00 72.50 68.47 2wpv s THR 23 CO 0.72 0.06 1.74 -1.83 -2.21 0.00 0.00 174.62 173.09 2wpv s GLU 24 N -2.36 4.17 0.47 7.08 -1.05 -1.26 -4.93 118.70 120.83 2wpv s GLU 24 Ca 0.22 2.45 -0.22 0.00 -0.15 0.00 0.00 54.97 57.27 2wpv s GLU 24 Cb -0.11 -3.63 -0.10 0.00 -0.44 0.00 0.00 34.13 29.85 2wpv s GLU 24 CO 0.14 -0.79 0.80 -2.30 0.95 0.00 0.00 175.26 174.06 2wpv n PRO 25 N 5.76 0.93 -0.36 -4.83 -0.02 -1.26 -4.87 135.00 130.34 2wpv n PRO 25 Ca 0.17 0.34 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 2wpv n PRO 25 Cb 0.40 -1.87 0.28 0.00 -0.02 0.00 0.00 33.50 32.29 2wpv n PRO 25 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2wpv h LYS 26 N 0.95 0.87 -4.87 -0.52 -0.00 -1.97 -3.36 116.57 107.67 2wpv h LYS 26 Ca -0.44 -0.05 -0.67 0.00 -0.00 0.00 0.00 60.65 59.49 2wpv h LYS 26 Cb 1.37 -0.20 -0.25 0.00 -0.00 0.00 0.00 32.23 33.15 2wpv h LYS 26 CO 0.53 0.58 -0.63 -0.51 -0.00 0.00 0.00 179.45 179.41 2wpv s LEU 27 N -10.26 3.62 0.90 7.07 1.43 -1.26 -5.10 118.68 115.09 2wpv s LEU 27 Ca -0.12 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 2wpv s LEU 27 Cb 0.24 -1.89 0.13 0.00 0.03 0.00 0.00 46.19 44.70 2wpv s LEU 27 CO 0.81 -0.12 1.09 -2.16 0.23 0.00 0.00 176.35 176.20 2wpv s PRO 28 N 1.54 1.20 0.53 1.29 0.04 -1.26 -4.91 135.00 133.44 2wpv s PRO 28 Ca 0.04 0.75 0.24 0.00 0.04 0.00 0.00 61.00 62.08 2wpv s PRO 28 Cb -0.16 -1.81 1.46 0.00 0.04 0.00 0.00 34.50 34.03 2wpv s PRO 28 CO 0.02 -2.26 2.13 0.87 0.04 0.00 0.00 177.00 177.80 2wpv h LYS 29 N -1.56 0.00 -0.09 4.56 1.57 -1.99 -1.64 116.57 117.43 2wpv h LYS 29 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2wpv h LYS 29 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2wpv h LYS 29 CO 0.55 0.08 0.00 -1.13 -0.57 0.00 0.00 179.45 178.38 2wpv n SER 30 N -3.99 1.30 -4.73 0.86 3.41 -1.26 -4.94 113.62 104.28 2wpv n SER 30 Ca -0.03 -1.56 -0.42 0.00 -0.26 0.00 0.00 58.87 56.61 2wpv n SER 30 Cb 0.16 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.89 2.86 -0.14 7.33 5.04 -0.62 -5.00 117.35 124.93 2wpv s TYR 31 Ca 0.35 0.46 -0.04 0.00 -2.44 0.00 0.00 57.07 55.40 2wpv s TYR 31 Cb 0.18 -4.13 0.07 0.00 0.35 0.00 0.00 41.96 38.43 2wpv s TYR 31 CO 0.29 -4.14 0.18 0.99 -1.34 0.00 0.00 175.55 171.53 2wpv s THR 32 N 0.86 -0.28 0.06 4.34 2.01 -1.26 -5.03 115.64 116.35 2wpv s THR 32 Ca 0.72 0.12 -0.31 0.00 0.31 0.00 0.00 61.69 62.53 2wpv s THR 32 Cb -0.49 -0.48 -0.06 0.00 0.01 0.00 0.00 72.50 71.48 2wpv s THR 32 CO 0.36 -0.03 1.23 -0.75 -0.69 0.00 0.00 174.62 174.74 2wpv s LYS 33 N 2.30 4.41 0.06 4.92 2.20 -1.26 -4.91 119.74 127.45 2wpv s LYS 33 Ca 0.04 1.81 -0.36 0.00 -0.36 0.00 0.00 55.97 57.10 2wpv s LYS 33 Cb -0.14 -3.34 -0.15 0.00 -1.51 0.00 0.00 37.83 32.68 2wpv s LYS 33 CO -0.09 -0.29 1.49 -2.30 -0.36 0.00 0.00 175.35 173.81 2wpv n PRO 34 N 3.99 1.52 0.12 4.03 -0.02 -1.26 -4.81 135.00 138.58 2wpv n PRO 34 Ca 0.09 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.28 2wpv n PRO 34 Cb 0.46 -2.25 0.69 0.00 -0.02 0.00 0.00 33.50 32.37 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 5.59 0.00 -0.22 2.45 5.85 -1.98 0.14 115.31 127.15 2wpv h LEU 35 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2wpv h LEU 35 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2wpv h LEU 35 CO 0.84 0.00 0.00 2.29 -0.34 0.00 0.00 178.44 181.23 2wpv n LYS 36 N -4.38 0.09 0.00 1.25 2.85 -1.26 -2.49 118.16 114.22 2wpv n LYS 36 Ca 0.04 0.26 0.11 0.00 -1.05 0.00 0.00 58.31 57.68 2wpv n LYS 36 Cb 0.37 -1.65 0.06 0.00 -0.65 0.00 0.00 35.03 33.17 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 -1.81 1.96 -4.70 -5.58 8.00 0.50 -4.92 116.55 110.00 2wpv n ASP 37 Ca 0.04 -1.47 -0.42 0.00 0.71 0.00 0.00 54.79 53.65 2wpv n ASP 37 Cb 0.24 0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.44 4.34 0.00 2.53 1.01 -1.04 -4.88 120.40 119.92 2wpv s VAL 38 Ca 0.20 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.85 2wpv s VAL 38 Cb 0.18 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2wpv s VAL 38 CO 0.54 0.04 0.00 0.35 0.00 0.00 0.00 175.10 176.04 2wpv n THR 39 N 4.37 0.00 -4.63 3.92 -2.24 -1.26 -5.02 114.28 109.43 2wpv n THR 39 Ca 0.10 -0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.57 2wpv n THR 39 Cb 0.47 0.53 -0.17 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.81 2.09 0.00 3.42 3.84 -1.26 -5.02 114.94 116.20 2wpv s ASN 40 Ca 0.00 -0.36 0.17 0.00 0.21 0.00 0.00 52.86 52.89 2wpv s ASN 40 Cb 0.00 -0.95 0.51 0.00 -0.55 0.00 0.00 41.25 40.26 2wpv s ASN 40 CO 0.00 0.04 1.41 0.18 -2.79 0.00 0.00 177.10 175.94 2wpv n LEU 41 N 3.89 2.38 0.00 3.21 4.77 -1.26 -5.05 117.00 124.93 2wpv n LEU 41 Ca -0.21 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 2wpv n LEU 41 Cb 0.52 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2wpv n LEU 41 CO 0.25 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2wpv n GLY 42 N 1.24 0.58 3.54 -0.72 0.00 -1.26 -4.91 105.19 103.66 2wpv n GLY 42 Ca 0.16 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 3.09 0.23 1.61 -7.23 -1.26 -5.09 120.40 111.76 2wpv s VAL 43 Ca 0.00 -1.48 -0.31 0.00 -1.81 0.00 0.00 61.98 58.38 2wpv s VAL 43 Cb 0.00 -2.46 -0.11 0.00 0.56 0.00 0.00 36.38 34.37 2wpv s VAL 43 CO 0.00 0.04 1.54 -2.84 -0.31 0.00 0.00 175.10 173.54 2wpv s PRO 44 N -2.36 4.20 0.47 4.82 0.02 -1.26 -4.98 135.00 135.92 2wpv s PRO 44 Ca 0.21 2.42 -0.15 0.00 0.02 0.00 0.00 61.00 63.50 2wpv s PRO 44 Cb -0.10 -3.10 -0.08 0.00 0.02 0.00 0.00 34.50 31.25 2wpv s PRO 44 CO 0.13 -0.56 0.91 -0.51 -0.33 0.00 0.00 177.00 176.64 2wpv s LEU 45 N 0.18 3.70 0.94 -5.54 1.43 -1.26 -5.03 118.68 113.09 2wpv s LEU 45 Ca 0.65 1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 2wpv s LEU 45 Cb -0.45 -4.35 0.15 0.00 0.03 0.00 0.00 46.19 41.58 2wpv s LEU 45 CO 0.40 -0.52 1.09 -2.16 0.23 0.00 0.00 176.35 175.39 2wpv s PRO 46 N -3.95 0.91 0.74 1.29 0.04 -1.26 -4.99 135.00 127.78 2wpv s PRO 46 Ca 0.57 0.92 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 2wpv s PRO 46 Cb -0.10 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.72 2wpv s PRO 46 CO 0.31 -2.51 1.08 0.95 0.04 0.00 0.00 177.00 176.86 2wpv s THR 47 N -2.83 3.60 0.57 1.26 -4.23 -1.26 -5.00 115.64 107.74 2wpv s THR 47 Ca 0.65 0.52 -0.17 0.00 -1.18 0.00 0.00 61.69 61.50 2wpv s THR 47 Cb -0.20 -3.22 -0.05 0.00 1.34 0.00 0.00 72.50 70.37 2wpv s THR 47 CO 0.58 -0.68 1.06 -0.76 -0.54 0.00 0.00 174.62 174.28 2wpv s LEU 48 N -5.69 3.59 0.00 4.79 1.43 -1.26 -4.89 118.68 116.66 2wpv s LEU 48 Ca 0.59 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 2wpv s LEU 48 Cb -0.15 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.53 2wpv s LEU 48 CO 0.55 -1.10 0.87 2.29 0.23 0.00 0.00 176.35 179.18 2wpv n LYS 49 N -1.74 0.96 -4.19 1.70 2.85 -1.26 -4.76 118.16 111.71 2wpv n LYS 49 Ca 0.09 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.21 2wpv n LYS 49 Cb 0.53 -1.09 -0.11 0.00 -0.65 0.00 0.00 35.03 33.71 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 -1.81 1.10 0.64 5.58 2.02 -1.26 -5.15 117.35 118.47 2wpv s TYR 50 Ca 0.00 -0.68 -0.06 0.00 -0.37 0.00 0.00 57.07 55.96 2wpv s TYR 50 Cb 0.00 -0.59 0.03 0.00 -0.40 0.00 0.00 41.96 41.00 2wpv s TYR 50 CO 0.00 0.01 0.96 -1.59 -1.57 0.00 0.00 175.55 173.36 2wpv s LYS 51 N -2.96 2.61 -0.13 -0.62 -2.85 -1.26 -5.06 119.74 109.47 2wpv s LYS 51 Ca 0.07 -0.09 -0.11 0.00 -1.00 0.00 0.00 55.97 54.84 2wpv s LYS 51 Cb -0.02 -2.22 -0.05 0.00 -2.06 0.00 0.00 37.83 33.49 2wpv s LYS 51 CO 0.00 -0.95 0.23 -0.47 0.10 0.00 0.00 175.35 174.27 2wpv s TYR 52 N -3.12 3.54 -0.33 1.78 5.04 -1.26 -5.07 117.35 117.93 2wpv s TYR 52 Ca 0.57 0.59 -0.09 0.00 -2.44 0.00 0.00 57.07 55.70 2wpv s TYR 52 Cb -0.11 -2.18 0.01 0.00 0.35 0.00 0.00 41.96 40.04 2wpv s TYR 52 CO 0.45 0.47 0.14 0.21 -1.34 0.00 0.00 175.55 175.48 2wpv s LYS 53 N -0.26 3.02 0.00 4.97 2.36 -1.26 -5.32 119.74 123.26 2wpv s LYS 53 Ca 0.15 -0.92 0.29 0.00 -2.55 0.00 0.00 55.97 52.94 2wpv s LYS 53 Cb -0.13 -3.54 1.19 0.00 -1.05 0.00 0.00 37.83 34.30 2wpv s LYS 53 CO 0.04 -0.54 1.82 0.00 1.55 0.00 0.00 175.35 178.23