#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waz n PRO 25 N 0.00 3.87 0.04 1.09 -0.04 -1.26 -4.66 135.00 134.05 1waz n PRO 25 Ca 0.00 -2.89 -0.03 0.00 -0.04 0.00 0.00 63.50 60.54 1waz n PRO 25 Cb 0.00 -2.83 0.21 0.00 -0.04 0.00 0.00 33.50 30.83 1waz n PRO 25 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1waz h VAL 26 N 3.13 1.28 -0.46 0.52 3.04 -2.02 -2.86 116.25 118.88 1waz h VAL 26 Ca 0.70 -1.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 1waz h VAL 26 Cb 0.39 1.48 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 1waz h VAL 26 CO 1.68 0.42 0.29 0.25 -1.01 0.00 0.00 177.57 179.20 1waz h LEU 27 N 0.34 0.54 -0.91 3.16 5.85 -2.02 -2.39 115.31 119.88 1waz h LEU 27 Ca 0.04 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1waz h LEU 27 Cb 0.73 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1waz h LEU 27 CO 0.06 0.41 0.60 0.58 -0.34 0.00 0.00 178.44 179.74 1waz h VAL 28 N 0.63 1.22 -0.51 1.05 2.07 -1.89 -2.04 116.25 116.79 1waz h VAL 28 Ca 0.17 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1waz h VAL 28 Cb -0.05 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.59 1waz h VAL 28 CO -0.03 0.22 0.06 0.40 0.02 0.00 0.00 177.57 178.24 1waz h ILE 29 N 1.22 1.24 -0.58 4.57 2.04 -1.53 -2.68 117.51 121.79 1waz h ILE 29 Ca 0.34 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1waz h ILE 29 Cb -0.13 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1waz h ILE 29 CO -0.08 0.33 0.28 0.25 0.00 0.00 0.00 178.15 178.94 1waz h LEU 30 N 0.77 0.75 -0.52 1.44 7.12 -1.29 -0.86 115.31 122.72 1waz h LEU 30 Ca 0.16 -0.13 -0.03 0.00 0.13 0.00 0.00 57.88 58.01 1waz h LEU 30 Cb 0.39 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 1waz h LEU 30 CO 0.01 0.67 0.21 -0.07 -0.13 0.00 0.00 178.44 179.13 1waz h LEU 31 N 0.78 0.73 -0.84 2.25 4.07 -1.28 -2.62 115.31 118.40 1waz h LEU 31 Ca 0.20 -0.17 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 1waz h LEU 31 Cb 0.11 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1waz h LEU 31 CO -0.03 0.70 0.14 1.23 -1.08 0.00 0.00 178.44 179.40 1waz h GLY 32 N 0.71 1.08 0.77 0.83 0.00 -1.22 -2.84 103.07 102.40 1waz h GLY 32 Ca 0.17 -0.67 0.04 0.00 0.00 0.00 0.00 47.33 46.88 1waz h GLY 32 CO -0.01 0.62 0.28 -2.08 0.00 0.00 0.00 176.54 175.35 1waz h VAL 33 N 0.95 0.99 -0.87 4.60 2.07 -0.82 -1.98 116.25 121.19 1waz h VAL 33 Ca 0.20 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1waz h VAL 33 Cb 0.36 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1waz h VAL 33 CO 0.00 0.10 0.56 0.58 0.02 0.00 0.00 177.57 178.84 1waz h VAL 34 N 0.56 1.16 -0.89 2.57 2.07 -1.25 -2.21 116.25 118.25 1waz h VAL 34 Ca 0.22 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1waz h VAL 34 Cb 0.10 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 1waz h VAL 34 CO -0.14 0.20 0.54 1.23 0.02 0.00 0.00 177.57 179.42 1waz h GLY 35 N 1.11 1.29 1.01 2.17 0.00 -1.21 -2.45 103.07 104.99 1waz h GLY 35 Ca 0.34 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1waz h GLY 35 CO -0.11 0.52 0.54 1.41 0.00 0.00 0.00 176.54 178.91 1waz h LEU 36 N 1.23 0.98 -0.17 3.11 4.07 -0.88 -2.74 115.31 120.91 1waz h LEU 36 Ca 0.32 -0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.25 1waz h LEU 36 Cb -0.05 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.43 1waz h LEU 36 CO -0.06 0.73 0.08 -1.28 -1.08 0.00 0.00 178.44 176.82 1waz h SER 37 N 1.14 0.11 -0.72 -0.43 0.87 -1.15 -1.66 113.55 111.71 1waz h SER 37 Ca 0.31 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 61.01 1waz h SER 37 Cb -0.10 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 61.80 1waz h SER 37 CO -0.06 0.09 0.48 0.00 -0.53 0.00 0.00 176.83 176.81 1waz h ALA 38 N 1.09 2.09 -2.80 6.23 0.00 -1.27 -3.34 119.26 121.26 1waz h ALA 38 Ca 0.07 -0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.26 1waz h ALA 38 Cb 0.02 -0.07 -0.30 0.00 0.00 0.00 0.00 17.79 17.44 1waz h ALA 38 CO -0.05 -0.28 -0.45 -1.17 0.00 0.00 0.00 179.25 177.30 1waz s LEU 39 N -9.36 5.41 -0.18 0.00 2.96 -0.63 -4.90 118.68 111.98 1waz s LEU 39 Ca -0.08 -1.80 0.21 0.00 -0.22 0.00 0.00 54.13 52.24 1waz s LEU 39 Cb 0.21 -1.96 0.47 0.00 0.50 0.00 0.00 46.19 45.41 1waz s LEU 39 CO 0.76 -0.61 1.15 0.35 -1.32 0.00 0.00 176.35 176.68 1waz n THR 40 N 4.84 1.13 -3.91 3.68 -2.24 -1.25 -4.79 114.28 111.74 1waz n THR 40 Ca -0.08 -2.54 -0.11 0.00 -2.27 0.00 0.00 64.05 59.06 1waz n THR 40 Cb 0.42 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.29 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 -3.18 0.10 1.18 3.38 0.00 -1.26 -5.16 107.32 102.38 1waz s GLY 41 Ca 0.33 -0.24 -0.17 0.00 0.00 0.00 0.00 44.72 44.64 1waz s GLY 41 CO -0.07 -0.32 1.07 -2.52 0.00 0.00 0.00 173.10 171.26 1waz s TYR 42 N -1.10 0.88 -0.30 1.90 1.13 -1.26 -5.07 117.35 113.53 1waz s TYR 42 Ca -0.12 0.70 -0.16 0.00 -1.41 0.00 0.00 57.07 56.08 1waz s TYR 42 Cb -0.07 -3.29 0.19 0.00 -1.10 0.00 0.00 41.96 37.68 1waz s TYR 42 CO 0.00 -3.77 1.16 -1.17 -2.51 0.00 0.00 175.55 169.26 1waz s LEU 43 N -6.97 -0.22 0.03 -3.49 2.96 -1.26 -5.14 118.68 104.59 1waz s LEU 43 Ca 0.69 0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 54.67 1waz s LEU 43 Cb -0.14 1.32 -0.04 0.00 0.50 0.00 0.00 46.19 47.83 1waz s LEU 43 CO 0.58 -0.06 0.91 -0.62 -1.32 0.00 0.00 176.35 175.84 1waz s ASP 44 N 1.20 7.33 0.41 3.68 2.15 -1.26 -5.00 116.67 125.18 1waz s ASP 44 Ca -0.08 1.60 -0.27 0.00 0.43 0.00 0.00 52.55 54.23 1waz s ASP 44 Cb -0.03 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 39.96 1waz s ASP 44 CO -0.12 -0.15 1.45 -0.72 -0.17 0.00 0.00 175.17 175.46 1waz s TYR 45 N 0.56 2.55 0.00 -5.34 1.13 -1.26 -5.01 117.35 109.98 1waz s TYR 45 Ca 0.47 1.23 0.00 0.00 -1.41 0.00 0.00 57.07 57.36 1waz s TYR 45 Cb -0.21 -3.95 0.00 0.00 -1.10 0.00 0.00 41.96 36.70 1waz s TYR 45 CO 0.26 -2.90 0.00 1.33 -2.51 0.00 0.00 175.55 171.74 1waz n VAL 46 N 0.15 0.00 -0.05 -3.49 0.24 -1.26 -4.94 118.33 108.98 1waz n VAL 46 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1waz n VAL 46 Cb 0.41 0.00 0.30 0.00 -1.47 0.00 0.00 33.84 33.07 1waz n VAL 46 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1waz h LEU 47 N 0.00 0.58 -7.38 1.34 6.46 -2.08 -3.39 115.31 110.85 1waz h LEU 47 Ca 0.00 -0.08 -0.56 0.00 -0.12 0.00 0.00 57.88 57.12 1waz h LEU 47 Cb 0.00 -0.15 -0.39 0.00 -0.73 0.00 0.00 40.66 39.39 1waz h LEU 47 CO 0.00 0.56 -0.77 -0.22 -0.62 0.00 0.00 178.44 177.39 1waz s LEU 48 N -9.29 1.86 -0.86 2.25 2.96 -1.26 -5.02 118.68 109.32 1waz s LEU 48 Ca -0.08 -1.09 -0.09 0.00 -0.22 0.00 0.00 54.13 52.65 1waz s LEU 48 Cb 0.16 -0.85 -0.07 0.00 0.50 0.00 0.00 46.19 45.93 1waz s LEU 48 CO 0.77 -0.30 2.04 -0.81 -1.32 0.00 0.00 176.35 176.73 1waz n PRO 49 N 4.88 1.91 0.17 0.98 -0.04 -1.26 -4.57 135.00 137.07 1waz n PRO 49 Ca -0.09 -1.52 0.04 0.00 -0.04 0.00 0.00 63.50 61.89 1waz n PRO 49 Cb 0.45 -2.54 0.44 0.00 -0.04 0.00 0.00 33.50 31.81 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 6.69 1.58 0.05 0.55 0.00 -1.96 -2.84 119.26 123.33 1waz h ALA 50 Ca 0.47 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1waz h ALA 50 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1waz h ALA 50 CO 1.54 0.31 -0.02 1.25 0.00 0.00 0.00 179.25 182.33 1waz h LEU 51 N 0.11 -0.06 -0.70 0.00 5.85 -2.00 0.50 115.31 119.01 1waz h LEU 51 Ca 0.02 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1waz h LEU 51 Cb 0.37 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1waz h LEU 51 CO 0.02 0.21 0.39 0.00 -0.34 0.00 0.00 178.44 178.72 1waz h ALA 52 N 0.60 0.96 -0.36 1.25 0.00 -1.92 -1.55 119.26 118.25 1waz h ALA 52 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1waz h ALA 52 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1waz h ALA 52 CO 0.01 0.04 0.04 0.82 0.00 0.00 0.00 179.25 180.16 1waz h ILE 53 N 0.69 1.25 -0.60 0.00 2.04 -1.37 -2.19 117.51 117.34 1waz h ILE 53 Ca 0.33 -0.89 0.08 0.00 1.00 0.00 0.00 64.86 65.37 1waz h ILE 53 Cb 0.25 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 1waz h ILE 53 CO -0.21 0.30 0.26 0.15 0.00 0.00 0.00 178.15 178.65 1waz h PHE 54 N 0.43 0.46 -0.39 1.37 3.57 -0.25 -1.14 116.94 120.99 1waz h PHE 54 Ca 0.11 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1waz h PHE 54 Cb 0.39 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1waz h PHE 54 CO 0.03 0.16 0.14 0.82 -2.23 0.00 0.00 178.31 177.23 1waz h ILE 55 N 0.47 1.21 -0.21 1.41 1.08 -1.19 0.66 117.51 120.94 1waz h ILE 55 Ca 0.29 -0.66 0.05 0.00 -0.39 0.00 0.00 64.86 64.14 1waz h ILE 55 Cb 0.30 0.90 -0.05 0.00 -3.07 0.00 0.00 36.82 34.91 1waz h ILE 55 CO -0.26 0.23 -0.08 1.23 -0.69 0.00 0.00 178.15 178.58 1waz h GLY 56 N 0.49 0.10 1.18 5.37 0.00 -0.72 0.51 103.07 110.00 1waz h GLY 56 Ca 0.13 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 1waz h GLY 56 CO -0.01 -0.11 0.22 -2.00 0.00 0.00 0.00 176.54 174.65 1waz h LEU 57 N -0.05 0.96 0.01 3.11 6.46 -1.10 0.15 115.31 124.85 1waz h LEU 57 Ca 0.11 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1waz h LEU 57 Cb 0.22 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1waz h LEU 57 CO -0.24 0.89 -0.00 0.74 -0.62 0.00 0.00 178.44 179.20 1waz h THR 58 N 1.00 1.18 -0.35 1.05 2.02 0.26 -0.55 112.91 117.52 1waz h THR 58 Ca 0.22 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1waz h THR 58 Cb 0.26 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1waz h THR 58 CO -0.01 0.14 -0.09 0.40 0.37 0.00 0.00 175.52 176.33 1waz h ILE 59 N -0.25 1.28 -0.18 3.11 1.08 0.04 -2.02 117.51 120.57 1waz h ILE 59 Ca -0.00 -1.16 0.01 0.00 -0.39 0.00 0.00 64.86 63.32 1waz h ILE 59 Cb 0.25 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 1waz h ILE 59 CO 0.00 0.38 0.09 0.22 -0.69 0.00 0.00 178.15 178.15 1waz h TYR 60 N 0.47 0.16 -0.99 1.37 3.20 -0.68 -1.41 116.97 119.10 1waz h TYR 60 Ca 0.09 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1waz h TYR 60 Cb 0.60 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 1waz h TYR 60 CO 0.05 0.09 0.65 0.00 -1.64 0.00 0.00 178.16 177.32 1waz h ALA 61 N 1.09 1.32 -0.37 1.82 0.00 -1.07 -2.18 119.26 119.87 1waz h ALA 61 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1waz h ALA 61 Cb 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1waz h ALA 61 CO -0.05 0.61 0.12 0.82 0.00 0.00 0.00 179.25 180.75 1waz h ILE 62 N 1.30 1.21 -0.85 0.00 2.04 -0.82 -0.77 117.51 119.63 1waz h ILE 62 Ca 0.38 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1waz h ILE 62 Cb -0.08 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1waz h ILE 62 CO -0.10 0.24 0.49 -0.61 0.00 0.00 0.00 178.15 178.16 1waz h GLN 63 N 0.45 1.16 0.04 2.37 4.15 -0.98 0.89 115.11 123.19 1waz h GLN 63 Ca 0.12 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1waz h GLN 63 Cb 0.25 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1waz h GLN 63 CO -0.00 0.84 -0.02 0.00 -1.93 0.00 0.00 178.83 177.71 1waz h ARG 64 N 1.17 -0.05 -0.11 1.69 3.08 -1.19 0.26 114.38 119.23 1waz h ARG 64 Ca 0.30 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.38 1waz h ARG 64 Cb -0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1waz h ARG 64 CO -0.05 0.26 -0.04 -0.22 -1.07 0.00 0.00 179.97 178.85 1waz h LYS 65 N -0.37 -0.02 -0.47 0.04 3.11 -0.97 -1.76 116.57 116.13 1waz h LYS 65 Ca -0.01 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1waz h LYS 65 Cb 0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 1waz h LYS 65 CO 0.01 -0.01 0.20 0.00 -2.81 0.00 0.00 179.45 176.84 1waz h ARG 66 N -0.02 0.66 -2.11 1.90 3.08 -0.79 -3.44 114.38 113.66 1waz h ARG 66 Ca 0.06 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1waz h ARG 66 Cb 0.11 -0.13 -0.22 0.00 0.08 0.00 0.00 29.97 29.82 1waz h ARG 66 CO -0.13 0.53 0.04 -1.14 -1.07 0.00 0.00 179.97 178.21 1waz s GLN 67 N -5.34 0.75 -0.09 0.04 0.74 0.93 -5.08 119.66 111.61 1waz s GLN 67 Ca -0.09 1.00 -0.12 0.00 0.05 0.00 0.00 55.36 56.21 1waz s GLN 67 Cb 0.17 0.30 -0.05 0.00 1.10 0.00 0.00 33.01 34.53 1waz s GLN 67 CO 0.76 -0.11 0.28 0.00 -0.55 0.00 0.00 175.29 175.67 1waz s ALA 68 N 0.73 3.74 -2.00 1.58 0.00 -1.17 -3.40 121.76 121.24 1waz s ALA 68 Ca -0.03 -0.43 0.17 0.00 0.00 0.00 0.00 51.96 51.67 1waz s ALA 68 Cb -0.05 -2.24 1.03 0.00 0.00 0.00 0.00 23.12 21.87 1waz s ALA 68 CO -0.05 0.43 1.43 -0.25 0.00 0.00 0.00 175.76 177.32