#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waz h PRO 25 N 0.00 0.05 -0.54 -2.82 0.13 -2.01 -3.28 132.00 123.53 1waz h PRO 25 Ca 0.00 -0.05 0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1waz h PRO 25 Cb 0.00 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.12 1waz h PRO 25 CO 0.00 0.87 0.36 -0.24 -0.23 0.00 0.00 178.00 178.76 1waz h VAL 26 N -0.75 0.91 -0.88 1.56 3.04 -2.01 -1.31 116.25 116.81 1waz h VAL 26 Ca -0.01 -0.12 0.07 0.00 -1.01 0.00 0.00 66.70 65.62 1waz h VAL 26 Cb 0.90 0.52 -0.06 0.00 -2.01 0.00 0.00 31.29 30.64 1waz h VAL 26 CO 0.01 0.07 0.57 0.25 -1.01 0.00 0.00 177.57 177.46 1waz h LEU 27 N 0.36 0.86 -0.55 3.16 7.12 -2.00 -1.65 115.31 122.61 1waz h LEU 27 Ca 0.24 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.25 1waz h LEU 27 Cb 0.49 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.42 1waz h LEU 27 CO -0.06 0.55 0.30 0.58 -0.13 0.00 0.00 178.44 179.68 1waz h VAL 28 N 0.97 1.18 -0.49 1.05 2.07 -1.34 -1.83 116.25 117.87 1waz h VAL 28 Ca 0.38 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1waz h VAL 28 Cb 0.23 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1waz h VAL 28 CO -0.14 0.19 -0.07 0.40 0.02 0.00 0.00 177.57 177.97 1waz h ILE 29 N 0.73 1.26 -0.53 4.57 2.04 -1.40 -2.67 117.51 121.51 1waz h ILE 29 Ca 0.19 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1waz h ILE 29 Cb 0.04 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1waz h ILE 29 CO -0.03 0.40 0.21 0.25 0.00 0.00 0.00 178.15 178.98 1waz h LEU 30 N 0.79 0.73 -0.53 1.44 6.46 -0.93 -1.12 115.31 122.14 1waz h LEU 30 Ca 0.14 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1waz h LEU 30 Cb 0.57 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1waz h LEU 30 CO 0.03 0.70 0.23 0.25 -0.62 0.00 0.00 178.44 179.04 1waz h LEU 31 N 0.72 0.72 -0.87 2.25 6.46 -1.23 -2.58 115.31 120.78 1waz h LEU 31 Ca 0.18 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1waz h LEU 31 Cb 0.20 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 1waz h LEU 31 CO -0.01 0.67 0.13 1.23 -0.62 0.00 0.00 178.44 179.84 1waz h GLY 32 N 0.72 1.04 0.82 3.75 0.00 -1.26 -2.85 103.07 105.28 1waz h GLY 32 Ca 0.18 -0.64 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1waz h GLY 32 CO -0.02 0.59 0.26 -2.08 0.00 0.00 0.00 176.54 175.30 1waz h VAL 33 N 0.92 1.01 -0.97 4.60 2.07 -0.83 -2.07 116.25 120.98 1waz h VAL 33 Ca 0.19 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1waz h VAL 33 Cb 0.36 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1waz h VAL 33 CO 0.00 0.10 0.64 0.58 0.02 0.00 0.00 177.57 178.91 1waz h VAL 34 N 0.52 1.23 -0.89 2.57 2.07 -1.25 -2.34 116.25 118.17 1waz h VAL 34 Ca 0.20 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1waz h VAL 34 Cb 0.06 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.62 1waz h VAL 34 CO -0.11 0.24 0.57 1.23 0.02 0.00 0.00 177.57 179.52 1waz h GLY 35 N 1.29 1.26 1.06 2.17 0.00 -1.19 -2.23 103.07 105.45 1waz h GLY 35 Ca 0.36 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1waz h GLY 35 CO -0.08 0.48 0.60 1.41 0.00 0.00 0.00 176.54 178.95 1waz h LEU 36 N 1.21 1.03 -0.16 3.11 3.38 -0.96 -2.69 115.31 120.23 1waz h LEU 36 Ca 0.32 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1waz h LEU 36 Cb -0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 1waz h LEU 36 CO -0.07 0.73 0.07 -1.28 0.09 0.00 0.00 178.44 177.98 1waz h SER 37 N 1.20 0.09 -0.73 -0.43 0.87 -1.21 -1.74 113.55 111.61 1waz h SER 37 Ca 0.34 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 61.04 1waz h SER 37 Cb -0.09 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 1waz h SER 37 CO -0.08 0.08 0.48 0.00 -0.53 0.00 0.00 176.83 176.77 1waz h ALA 38 N 1.09 1.99 -2.80 6.23 0.00 -1.35 -3.34 119.26 121.08 1waz h ALA 38 Ca 0.06 -0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.25 1waz h ALA 38 Cb 0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 17.42 1waz h ALA 38 CO -0.06 -0.16 -0.45 -0.51 0.00 0.00 0.00 179.25 178.07 1waz s LEU 39 N -9.47 5.35 -0.18 0.00 1.43 -0.65 -4.90 118.68 110.26 1waz s LEU 39 Ca -0.08 -1.73 0.22 0.00 -1.03 0.00 0.00 54.13 51.51 1waz s LEU 39 Cb 0.20 -1.97 0.48 0.00 0.03 0.00 0.00 46.19 44.94 1waz s LEU 39 CO 0.77 -0.59 1.14 0.35 0.23 0.00 0.00 176.35 178.24 1waz n THR 40 N 4.86 1.00 -3.90 5.49 -2.24 -1.25 -4.78 114.28 113.46 1waz n THR 40 Ca -0.08 -2.43 -0.11 0.00 -2.27 0.00 0.00 64.05 59.16 1waz n THR 40 Cb 0.42 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 1waz n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1waz s GLY 41 N -3.21 0.09 1.15 3.38 0.00 -1.26 -5.15 107.32 102.32 1waz s GLY 41 Ca 0.31 -0.21 -0.13 0.00 0.00 0.00 0.00 44.72 44.69 1waz s GLY 41 CO -0.08 -0.30 1.04 -0.19 0.00 0.00 0.00 173.10 173.57 1waz s TYR 42 N -1.14 1.46 -0.29 1.90 2.02 -1.26 -5.06 117.35 114.97 1waz s TYR 42 Ca -0.12 1.07 -0.16 0.00 -0.37 0.00 0.00 57.07 57.49 1waz s TYR 42 Cb -0.07 -3.13 0.18 0.00 -0.40 0.00 0.00 41.96 38.54 1waz s TYR 42 CO 0.00 -3.74 1.14 -1.17 -1.57 0.00 0.00 175.55 170.21 1waz s LEU 43 N -7.09 -0.25 0.00 -1.29 2.96 -1.26 -5.17 118.68 106.58 1waz s LEU 43 Ca 0.68 0.40 -0.18 0.00 -0.22 0.00 0.00 54.13 54.81 1waz s LEU 43 Cb -0.23 1.37 0.27 0.00 0.50 0.00 0.00 46.19 48.09 1waz s LEU 43 CO 0.63 -0.06 0.84 -0.67 -1.32 0.00 0.00 176.35 175.76 1waz n ASP 44 N 3.35 -2.45 -4.67 3.68 -0.08 -1.26 -5.00 116.55 110.13 1waz n ASP 44 Ca -0.18 -0.95 -0.36 0.00 -1.51 0.00 0.00 54.79 51.80 1waz n ASP 44 Cb 0.57 -0.82 -0.09 0.00 2.34 0.00 0.00 41.12 43.12 1waz n ASP 44 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1waz s TYR 45 N -2.40 3.32 0.00 -0.67 1.13 -1.26 -5.09 117.35 112.38 1waz s TYR 45 Ca 0.57 0.20 0.00 0.00 -1.41 0.00 0.00 57.07 56.43 1waz s TYR 45 Cb -0.07 -2.20 0.00 0.00 -1.10 0.00 0.00 41.96 38.59 1waz s TYR 45 CO 0.45 0.13 0.00 1.55 -2.51 0.00 0.00 175.55 175.17 1waz n VAL 46 N 3.94 0.00 -0.17 -3.49 3.14 -1.26 -4.97 118.33 115.52 1waz n VAL 46 Ca -0.16 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.15 1waz n VAL 46 Cb 0.52 -1.03 0.02 0.00 -1.06 0.00 0.00 33.84 32.28 1waz n VAL 46 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1waz h LEU 47 N 0.00 0.61 -7.56 6.55 3.38 -2.07 -3.39 115.31 112.83 1waz h LEU 47 Ca 0.00 -0.08 -0.58 0.00 0.09 0.00 0.00 57.88 57.31 1waz h LEU 47 Cb 0.00 -0.16 -0.38 0.00 0.09 0.00 0.00 40.66 40.21 1waz h LEU 47 CO 0.00 0.52 -0.78 -0.22 0.09 0.00 0.00 178.44 178.04 1waz s LEU 48 N -10.00 2.13 -0.80 1.67 1.98 -1.26 -5.02 118.68 107.38 1waz s LEU 48 Ca -0.13 -1.02 -0.14 0.00 -2.89 0.00 0.00 54.13 49.94 1waz s LEU 48 Cb 0.12 -1.02 -0.11 0.00 0.66 0.00 0.00 46.19 45.84 1waz s LEU 48 CO 0.75 -0.24 1.97 -0.81 -1.89 0.00 0.00 176.35 176.13 1waz n PRO 49 N 4.78 1.69 0.14 0.98 -0.04 -1.26 -4.62 135.00 136.67 1waz n PRO 49 Ca -0.11 -1.62 0.05 0.00 -0.04 0.00 0.00 63.50 61.78 1waz n PRO 49 Cb 0.45 -2.68 0.50 0.00 -0.04 0.00 0.00 33.50 31.74 1waz n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1waz h ALA 50 N 7.22 1.77 0.00 0.55 0.00 -1.97 -2.65 119.26 124.19 1waz h ALA 50 Ca 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1waz h ALA 50 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1waz h ALA 50 CO 1.70 0.19 -0.00 -0.07 0.00 0.00 0.00 179.25 181.07 1waz h LEU 51 N 0.24 -0.00 -0.63 0.00 3.38 -1.99 0.56 115.31 116.87 1waz h LEU 51 Ca 0.06 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.79 1waz h LEU 51 Cb 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1waz h LEU 51 CO -0.00 0.31 0.33 0.00 0.09 0.00 0.00 178.44 179.16 1waz h ALA 52 N 0.69 0.83 -0.37 1.53 0.00 -1.89 -1.49 119.26 118.57 1waz h ALA 52 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1waz h ALA 52 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1waz h ALA 52 CO 0.00 -0.02 0.00 0.82 0.00 0.00 0.00 179.25 180.05 1waz h ILE 53 N 0.60 1.26 -0.55 0.00 2.04 -1.39 -2.34 117.51 117.13 1waz h ILE 53 Ca 0.29 -0.98 0.08 0.00 1.00 0.00 0.00 64.86 65.24 1waz h ILE 53 Cb 0.21 1.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1waz h ILE 53 CO -0.20 0.33 0.21 0.15 0.00 0.00 0.00 178.15 178.64 1waz h PHE 54 N 0.46 0.37 -0.44 1.37 3.57 -0.29 -1.30 116.94 120.68 1waz h PHE 54 Ca 0.10 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1waz h PHE 54 Cb 0.46 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1waz h PHE 54 CO 0.04 0.11 0.16 0.82 -2.23 0.00 0.00 178.31 177.21 1waz h ILE 55 N 0.40 1.21 -0.20 1.41 1.08 -1.20 -0.20 117.51 120.00 1waz h ILE 55 Ca 0.27 -0.67 0.05 0.00 -0.39 0.00 0.00 64.86 64.12 1waz h ILE 55 Cb 0.30 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 1waz h ILE 55 CO -0.26 0.24 -0.10 1.23 -0.69 0.00 0.00 178.15 178.57 1waz h GLY 56 N 0.57 0.08 1.24 5.37 0.00 -0.80 0.37 103.07 109.89 1waz h GLY 56 Ca 0.14 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1waz h GLY 56 CO -0.01 -0.12 0.26 -2.00 0.00 0.00 0.00 176.54 174.68 1waz h LEU 57 N -0.07 0.89 0.00 3.11 5.85 -1.13 0.54 115.31 124.50 1waz h LEU 57 Ca 0.11 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1waz h LEU 57 Cb 0.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1waz h LEU 57 CO -0.25 0.80 -0.00 0.74 -0.34 0.00 0.00 178.44 179.39 1waz h THR 58 N 0.96 1.20 -0.43 1.05 2.02 0.19 -1.08 112.91 116.82 1waz h THR 58 Ca 0.22 -0.58 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 1waz h THR 58 Cb 0.19 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1waz h THR 58 CO -0.02 0.15 -0.03 0.40 0.37 0.00 0.00 175.52 176.39 1waz h ILE 59 N -0.25 1.27 -0.18 3.11 1.08 -0.22 -2.38 117.51 119.93 1waz h ILE 59 Ca -0.00 -1.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.39 1waz h ILE 59 Cb 0.25 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1waz h ILE 59 CO 0.00 0.37 0.09 0.22 -0.69 0.00 0.00 178.15 178.14 1waz h TYR 60 N 0.61 0.16 -0.99 1.37 3.20 -0.85 -1.99 116.97 118.48 1waz h TYR 60 Ca 0.12 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1waz h TYR 60 Cb 0.54 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.70 1waz h TYR 60 CO 0.04 0.09 0.64 0.00 -1.64 0.00 0.00 178.16 177.30 1waz h ALA 61 N 1.09 1.40 -0.46 1.82 0.00 -1.15 -2.48 119.26 119.49 1waz h ALA 61 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1waz h ALA 61 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1waz h ALA 61 CO -0.05 0.47 0.20 0.82 0.00 0.00 0.00 179.25 180.69 1waz h ILE 62 N 1.19 1.19 -0.97 0.00 2.04 -0.87 -1.73 117.51 118.35 1waz h ILE 62 Ca 0.41 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.75 1waz h ILE 62 Cb 0.11 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 1waz h ILE 62 CO -0.15 0.22 0.64 -0.61 0.00 0.00 0.00 178.15 178.24 1waz h GLN 63 N 0.60 1.17 -0.05 2.37 4.15 -0.94 0.12 115.11 122.53 1waz h GLN 63 Ca 0.16 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1waz h GLN 63 Cb 0.15 -0.26 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1waz h GLN 63 CO -0.02 0.77 -0.00 0.00 -1.93 0.00 0.00 178.83 177.65 1waz h ARG 64 N 1.20 0.09 -0.06 1.69 3.08 -1.15 -0.83 114.38 118.40 1waz h ARG 64 Ca 0.39 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.44 1waz h ARG 64 Cb 0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1waz h ARG 64 CO -0.13 0.38 -0.09 0.87 -1.07 0.00 0.00 179.97 179.93 1waz h LYS 65 N -0.22 -0.12 -0.73 0.04 1.79 -0.93 -0.96 116.57 115.44 1waz h LYS 65 Ca 0.01 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.60 1waz h LYS 65 Cb 0.34 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 1waz h LYS 65 CO 0.00 -0.08 0.48 0.00 -1.08 0.00 0.00 179.45 178.78 1waz h ARG 66 N -0.12 0.55 -1.36 3.15 3.08 -0.94 -3.44 114.38 115.29 1waz h ARG 66 Ca 0.06 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.20 1waz h ARG 66 Cb 0.20 -0.13 -0.29 0.00 0.08 0.00 0.00 29.97 29.83 1waz h ARG 66 CO -0.14 0.37 0.62 -1.14 -1.07 0.00 0.00 179.97 178.61 1waz s GLN 67 N -5.54 0.30 0.05 0.04 0.74 -0.32 -5.09 119.66 109.83 1waz s GLN 67 Ca -0.09 0.38 -0.30 0.00 0.05 0.00 0.00 55.36 55.40 1waz s GLN 67 Cb 0.20 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.40 1waz s GLN 67 CO 0.77 -0.04 1.06 0.00 -0.55 0.00 0.00 175.29 176.53 1waz s ALA 68 N 0.33 3.26 -2.00 1.58 0.00 -1.17 -3.73 121.76 120.03 1waz s ALA 68 Ca 0.03 0.67 0.22 0.00 0.00 0.00 0.00 51.96 52.88 1waz s ALA 68 Cb -0.05 -3.37 1.31 0.00 0.00 0.00 0.00 23.12 21.02 1waz s ALA 68 CO -0.11 -0.27 1.69 -0.40 0.00 0.00 0.00 175.76 176.67