#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 0.41 -0.32 1.61 0.13 -2.06 -2.61 132.00 129.16 2wpv h PRO 8 Ca 0.00 -0.17 -0.10 0.00 -0.87 0.00 0.00 66.00 64.86 2wpv h PRO 8 Cb 0.00 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.11 2wpv h PRO 8 CO 0.00 0.69 -0.20 1.49 -0.23 0.00 0.00 178.00 179.75 2wpv h GLU 9 N 0.35 0.70 -0.67 0.86 4.81 -2.05 -1.50 114.58 117.08 2wpv h GLU 9 Ca 0.04 -0.32 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 2wpv h GLU 9 Cb 0.75 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 2wpv h GLU 9 CO 0.06 0.93 0.44 1.25 -0.73 0.00 0.00 179.01 180.96 2wpv h HIS 10 N 0.47 0.77 -0.29 0.92 2.76 -1.98 0.23 115.15 118.03 2wpv h HIS 10 Ca 0.07 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.11 2wpv h HIS 10 Cb 0.74 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 2wpv h HIS 10 CO 0.06 0.45 -0.39 1.49 -1.30 0.00 0.00 177.93 178.24 2wpv h GLU 11 N 0.80 0.77 -0.06 5.26 4.57 -1.23 -1.78 114.58 122.92 2wpv h GLU 11 Ca 0.26 -0.45 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2wpv h GLU 11 Cb 0.06 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2wpv h GLU 11 CO -0.07 1.08 0.02 0.35 -1.18 0.00 0.00 179.01 179.20 2wpv h PHE 12 N 0.53 0.09 -0.36 0.92 3.57 -0.50 -0.54 116.94 120.65 2wpv h PHE 12 Ca 0.03 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2wpv h PHE 12 Cb 0.99 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 2wpv h PHE 12 CO 0.08 0.25 0.14 0.28 -2.23 0.00 0.00 178.31 176.82 2wpv h VAL 13 N -0.09 0.92 -0.15 1.41 2.07 -0.98 0.48 116.25 119.90 2wpv h VAL 13 Ca 0.02 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2wpv h VAL 13 Cb 0.20 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2wpv h VAL 13 CO -0.00 0.05 0.07 -1.28 0.02 0.00 0.00 177.57 176.43 2wpv h SER 14 N 0.30 0.19 -0.40 0.57 0.87 -1.26 0.22 113.55 114.04 2wpv h SER 14 Ca 0.16 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 2wpv h SER 14 Cb 0.12 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2wpv h SER 14 CO -0.15 0.26 -0.18 0.11 -0.53 0.00 0.00 176.83 176.34 2wpv h LYS 15 N 0.11 0.88 -0.23 2.24 1.79 -0.85 -2.35 116.57 118.16 2wpv h LYS 15 Ca 0.05 -0.34 -0.04 0.00 -2.18 0.00 0.00 60.65 58.14 2wpv h LYS 15 Cb 0.12 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2wpv h LYS 15 CO -0.01 0.99 0.00 0.35 -1.08 0.00 0.00 179.45 179.71 2wpv h PHE 16 N 0.78 0.45 -0.78 -1.35 3.57 0.09 -2.04 116.94 117.65 2wpv h PHE 16 Ca 0.11 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.59 2wpv h PHE 16 Cb 0.71 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 2wpv h PHE 16 CO 0.04 0.58 0.47 1.25 -2.23 0.00 0.00 178.31 178.42 2wpv h LEU 17 N 0.18 0.73 -0.57 0.59 5.85 -0.90 0.72 115.31 121.91 2wpv h LEU 17 Ca 0.07 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2wpv h LEU 17 Cb 0.40 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2wpv h LEU 17 CO 0.01 0.47 0.29 0.74 -0.34 0.00 0.00 178.44 179.62 2wpv h THR 18 N 0.86 1.20 0.10 1.05 2.02 -1.28 -1.63 112.91 115.23 2wpv h THR 18 Ca 0.34 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 2wpv h THR 18 Cb 0.16 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2wpv h THR 18 CO -0.17 0.22 -0.05 0.25 0.37 0.00 0.00 175.52 176.14 2wpv h LEU 19 N 0.77 -0.11 -2.47 2.58 5.85 -0.63 0.62 115.31 121.91 2wpv h LEU 19 Ca 0.20 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2wpv h LEU 19 Cb 0.08 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2wpv h LEU 19 CO -0.03 0.16 0.01 0.00 -0.34 0.00 0.00 178.44 178.23 2wpv h ALA 20 N 0.48 1.53 -0.16 1.25 0.00 -0.79 -2.55 119.26 119.01 2wpv h ALA 20 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wpv h ALA 20 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wpv h ALA 20 CO 0.02 -0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.52 2wpv n THR 21 N -3.84 0.64 -0.19 0.00 -2.24 -0.62 -4.55 114.28 103.48 2wpv n THR 21 Ca -0.03 -0.82 -0.06 0.00 -2.27 0.00 0.00 64.05 60.87 2wpv n THR 21 Cb 0.09 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 2wpv n THR 21 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wpv h LEU 22 N 1.48 -1.22 -9.31 3.22 3.38 -0.42 -3.38 115.31 109.06 2wpv h LEU 22 Ca 0.00 0.23 -0.66 0.00 0.09 0.00 0.00 57.88 57.53 2wpv h LEU 22 Cb 0.55 0.59 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 2wpv h LEU 22 CO 0.00 -0.31 -0.72 0.42 0.09 0.00 0.00 178.44 177.91 2wpv s THR 23 N -5.96 3.52 0.07 0.22 -4.23 -1.26 -5.06 115.64 102.94 2wpv s THR 23 Ca -0.14 -1.21 -0.34 0.00 -1.18 0.00 0.00 61.69 58.82 2wpv s THR 23 Cb 0.15 -2.66 -0.13 0.00 1.34 0.00 0.00 72.50 71.20 2wpv s THR 23 CO 0.68 0.11 1.66 -1.84 -0.54 0.00 0.00 174.62 174.69 2wpv n GLU 24 N 0.66 2.09 -1.67 3.99 0.00 -1.26 -4.91 120.64 119.54 2wpv n GLU 24 Ca -0.13 0.76 -0.40 0.00 0.00 0.00 0.00 57.16 57.39 2wpv n GLU 24 Cb 0.52 -2.54 0.03 0.00 0.00 0.00 0.00 31.44 29.45 2wpv n GLU 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2wpv n PRO 25 N 4.36 1.49 -0.34 3.44 -0.02 -1.26 -4.85 135.00 137.82 2wpv n PRO 25 Ca 0.19 0.54 0.16 0.00 -2.02 0.00 0.00 63.50 62.37 2wpv n PRO 25 Cb 0.28 -2.29 0.36 0.00 -0.02 0.00 0.00 33.50 31.84 2wpv n PRO 25 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wpv h LYS 26 N 1.43 0.54 -4.74 -0.52 1.57 -1.96 -3.32 116.57 109.58 2wpv h LYS 26 Ca -0.48 -0.03 -0.68 0.00 -1.87 0.00 0.00 60.65 57.59 2wpv h LYS 26 Cb 1.32 -0.12 -0.21 0.00 0.08 0.00 0.00 32.23 33.30 2wpv h LYS 26 CO 0.56 0.36 -0.52 -0.51 -0.57 0.00 0.00 179.45 178.77 2wpv s LEU 27 N -10.37 4.32 0.87 2.94 1.02 -1.26 -5.09 118.68 111.12 2wpv s LEU 27 Ca -0.11 -0.53 -0.12 0.00 0.02 0.00 0.00 54.13 53.39 2wpv s LEU 27 Cb 0.27 -2.06 0.11 0.00 0.02 0.00 0.00 46.19 44.53 2wpv s LEU 27 CO 0.79 -0.23 1.10 -2.16 0.02 0.00 0.00 176.35 175.87 2wpv s PRO 28 N 1.65 1.46 0.63 1.29 0.04 -1.25 -4.91 135.00 133.91 2wpv s PRO 28 Ca 0.05 0.68 0.39 0.00 0.04 0.00 0.00 61.00 62.15 2wpv s PRO 28 Cb -0.17 -1.84 2.12 0.00 0.04 0.00 0.00 34.50 34.64 2wpv s PRO 28 CO 0.08 -2.07 2.29 0.87 0.04 0.00 0.00 177.00 178.21 2wpv h LYS 29 N -1.42 0.00 -0.09 4.56 1.57 -1.98 -1.35 116.57 117.86 2wpv h LYS 29 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 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 0.57 0.01 0.00 -1.13 -0.57 0.00 0.00 179.45 178.33 2wpv n SER 30 N -3.33 2.04 -4.75 0.86 3.41 -1.26 -4.96 113.62 105.64 2wpv n SER 30 Ca -0.03 -1.70 -0.41 0.00 -0.26 0.00 0.00 58.87 56.47 2wpv n SER 30 Cb 0.11 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.90 2.85 -0.17 7.33 5.04 -0.51 -5.01 117.35 124.97 2wpv s TYR 31 Ca 0.35 0.93 -0.04 0.00 -2.44 0.00 0.00 57.07 55.87 2wpv s TYR 31 Cb 0.20 -3.96 0.08 0.00 0.35 0.00 0.00 41.96 38.63 2wpv s TYR 31 CO 0.31 -3.13 0.24 0.99 -1.34 0.00 0.00 175.55 172.62 2wpv s THR 32 N -0.15 -0.37 0.05 4.34 2.01 -1.26 -5.02 115.64 115.24 2wpv s THR 32 Ca 0.60 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 2wpv s THR 32 Cb -0.45 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 2wpv s THR 32 CO 0.48 -0.05 1.19 -0.75 -0.69 0.00 0.00 174.62 174.79 2wpv s LYS 33 N 2.37 4.43 0.12 4.92 2.20 -1.26 -4.93 119.74 127.59 2wpv s LYS 33 Ca 0.05 1.74 -0.35 0.00 -0.36 0.00 0.00 55.97 57.05 2wpv s LYS 33 Cb -0.14 -3.37 -0.15 0.00 -1.51 0.00 0.00 37.83 32.66 2wpv s LYS 33 CO -0.11 -0.26 1.50 -2.30 -0.36 0.00 0.00 175.35 173.82 2wpv n PRO 34 N 4.03 1.76 -0.21 4.03 -0.02 -1.26 -4.83 135.00 138.49 2wpv n PRO 34 Ca 0.09 0.64 0.15 0.00 -2.02 0.00 0.00 63.50 62.35 2wpv n PRO 34 Cb 0.47 -2.36 0.47 0.00 -0.02 0.00 0.00 33.50 32.05 2wpv n PRO 34 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wpv h LEU 35 N 5.53 0.48 -1.01 2.45 3.38 -1.98 0.88 115.31 125.04 2wpv h LEU 35 Ca -0.46 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2wpv h LEU 35 Cb 1.29 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2wpv h LEU 35 CO 0.85 0.23 0.00 0.29 0.09 0.00 0.00 178.44 179.90 2wpv n LYS 36 N -4.51 0.14 0.00 1.13 5.02 -1.26 -1.93 118.16 116.75 2wpv n LYS 36 Ca 0.16 0.53 0.11 0.00 -2.02 0.00 0.00 58.31 57.09 2wpv n LYS 36 Cb 0.54 -1.88 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 2wpv n LYS 36 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wpv n ASP 37 N -2.17 2.14 -4.70 4.39 8.00 0.30 -4.94 116.55 119.58 2wpv n ASP 37 Ca 0.00 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.51 2wpv n ASP 37 Cb 0.11 0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 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 -2.29 4.43 0.00 2.53 1.01 -0.81 -4.90 120.40 120.36 2wpv s VAL 38 Ca 0.19 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.91 2wpv s VAL 38 Cb 0.18 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2wpv s VAL 38 CO 0.50 0.07 0.00 0.35 0.00 0.00 0.00 175.10 176.01 2wpv n THR 39 N 4.26 0.00 -3.86 3.92 -2.24 -1.26 -5.01 114.28 110.09 2wpv n THR 39 Ca 0.09 -0.46 -0.19 0.00 -2.27 0.00 0.00 64.05 61.23 2wpv n THR 39 Cb 0.48 0.96 -0.17 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.07 0.77 0.00 3.42 3.84 -1.26 -5.02 114.94 115.61 2wpv s ASN 40 Ca 0.00 -0.02 0.15 0.00 0.21 0.00 0.00 52.86 53.20 2wpv s ASN 40 Cb 0.00 -0.25 0.58 0.00 -0.55 0.00 0.00 41.25 41.03 2wpv s ASN 40 CO 0.00 -0.14 1.42 0.18 -2.79 0.00 0.00 177.10 175.77 2wpv n LEU 41 N 4.52 1.40 0.00 3.21 4.77 -1.26 -5.03 117.00 124.60 2wpv n LEU 41 Ca -0.19 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 2wpv n LEU 41 Cb 0.50 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2wpv n LEU 41 CO 0.17 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2wpv n GLY 42 N 1.01 0.31 3.61 -0.72 0.00 -1.26 -4.91 105.19 103.23 2wpv n GLY 42 Ca 0.13 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 3.33 0.31 1.61 -7.23 -1.26 -5.09 120.40 112.07 2wpv s VAL 43 Ca 0.00 -1.75 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 2wpv s VAL 43 Cb 0.00 -2.71 -0.10 0.00 0.56 0.00 0.00 36.38 34.13 2wpv s VAL 43 CO 0.00 -0.22 1.33 -2.84 -0.31 0.00 0.00 175.10 173.07 2wpv s PRO 44 N -3.18 4.34 0.50 4.82 0.02 -1.26 -5.00 135.00 135.24 2wpv s PRO 44 Ca 0.28 2.23 -0.08 0.00 0.02 0.00 0.00 61.00 63.44 2wpv s PRO 44 Cb -0.08 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 2wpv s PRO 44 CO 0.17 -0.24 0.85 -0.51 -0.33 0.00 0.00 177.00 176.95 2wpv s LEU 45 N -1.46 3.57 0.70 -5.54 1.43 -1.26 -5.04 118.68 111.08 2wpv s LEU 45 Ca 0.51 1.12 -0.14 0.00 -1.03 0.00 0.00 54.13 54.59 2wpv s LEU 45 Cb -0.40 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 41.76 2wpv s LEU 45 CO 0.51 -0.62 1.10 -2.16 0.23 0.00 0.00 176.35 175.42 2wpv s PRO 46 N -4.64 2.62 0.92 1.29 0.04 -1.26 -4.99 135.00 128.98 2wpv s PRO 46 Ca 0.51 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 2wpv s PRO 46 Cb -0.10 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.65 2wpv s PRO 46 CO 0.44 -1.38 1.09 0.95 0.04 0.00 0.00 177.00 178.14 2wpv s THR 47 N -2.51 2.55 0.54 1.26 -4.23 -1.26 -4.98 115.64 107.01 2wpv s THR 47 Ca 0.65 0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 61.17 2wpv s THR 47 Cb -0.19 -2.56 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 2wpv s THR 47 CO 0.46 -0.23 1.02 -0.76 -0.54 0.00 0.00 174.62 174.57 2wpv s LEU 48 N -6.37 3.60 -0.05 4.79 1.02 -1.26 -4.92 118.68 115.49 2wpv s LEU 48 Ca 0.64 1.72 0.03 0.00 0.02 0.00 0.00 54.13 56.54 2wpv s LEU 48 Cb -0.19 -4.53 0.17 0.00 0.02 0.00 0.00 46.19 41.66 2wpv s LEU 48 CO 0.58 -0.85 0.77 2.29 0.02 0.00 0.00 176.35 179.15 2wpv n LYS 49 N -1.69 1.79 -4.16 1.70 2.85 -1.26 -4.80 118.16 112.59 2wpv n LYS 49 Ca 0.08 -0.64 -0.13 0.00 -1.05 0.00 0.00 58.31 56.57 2wpv n LYS 49 Cb 0.53 -1.64 -0.11 0.00 -0.65 0.00 0.00 35.03 33.17 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 -1.37 0.96 0.65 5.58 2.02 -1.26 -5.15 117.35 118.77 2wpv s TYR 50 Ca 0.11 -0.72 -0.06 0.00 -0.37 0.00 0.00 57.07 56.03 2wpv s TYR 50 Cb 0.08 -0.54 0.04 0.00 -0.40 0.00 0.00 41.96 41.15 2wpv s TYR 50 CO 0.03 -0.06 0.95 -1.59 -1.57 0.00 0.00 175.55 173.32 2wpv s LYS 51 N -3.01 2.47 -0.22 -0.62 -2.85 -1.26 -5.05 119.74 109.19 2wpv s LYS 51 Ca 0.06 -0.23 -0.10 0.00 -1.00 0.00 0.00 55.97 54.70 2wpv s LYS 51 Cb -0.01 -2.24 -0.05 0.00 -2.06 0.00 0.00 37.83 33.48 2wpv s LYS 51 CO -0.01 -1.01 0.14 -0.47 0.10 0.00 0.00 175.35 174.10 2wpv s TYR 52 N -3.11 3.33 -0.24 1.78 5.04 -1.26 -5.07 117.35 117.82 2wpv s TYR 52 Ca 0.58 0.23 -0.16 0.00 -2.44 0.00 0.00 57.07 55.28 2wpv s TYR 52 Cb -0.11 -2.22 -0.04 0.00 0.35 0.00 0.00 41.96 39.95 2wpv s TYR 52 CO 0.44 0.13 0.42 0.21 -1.34 0.00 0.00 175.55 175.41 2wpv s LYS 53 N 0.81 4.09 0.00 4.97 2.47 -1.26 -5.32 119.74 125.50 2wpv s LYS 53 Ca 0.07 0.17 0.15 0.00 -1.56 0.00 0.00 55.97 54.81 2wpv s LYS 53 Cb -0.13 -3.61 0.90 0.00 -1.46 0.00 0.00 37.83 33.54 2wpv s LYS 53 CO 0.02 -0.21 1.32 1.04 0.16 0.00 0.00 175.35 177.68