#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waz s PRO 25 N 0.00 3.09 0.41 -2.82 0.04 -1.26 -4.79 135.00 129.67 1waz s PRO 25 Ca 0.00 -1.11 0.07 0.00 0.04 0.00 0.00 61.00 60.00 1waz s PRO 25 Cb 0.00 -5.29 0.85 0.00 0.04 0.00 0.00 34.50 30.11 1waz s PRO 25 CO 0.00 -3.04 2.06 -0.24 0.04 0.00 0.00 177.00 175.82 1waz h VAL 26 N 6.47 1.11 -0.83 -0.36 3.04 -2.01 -1.99 116.25 121.67 1waz h VAL 26 Ca 0.23 -0.20 0.05 0.00 -1.01 0.00 0.00 66.70 65.77 1waz h VAL 26 Cb 0.96 0.51 -0.05 0.00 -2.01 0.00 0.00 31.29 30.70 1waz h VAL 26 CO 1.32 0.11 0.55 0.25 -1.01 0.00 0.00 177.57 178.78 1waz h LEU 27 N 0.55 0.84 -0.59 3.16 7.12 -2.00 -1.98 115.31 122.41 1waz h LEU 27 Ca 0.15 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.15 1waz h LEU 27 Cb -0.06 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 39.86 1waz h LEU 27 CO -0.03 0.56 0.35 0.58 -0.13 0.00 0.00 178.44 179.77 1waz h VAL 28 N 0.97 1.17 -0.55 1.05 2.07 -1.76 -1.97 116.25 117.24 1waz h VAL 28 Ca 0.35 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1waz h VAL 28 Cb 0.14 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1waz h VAL 28 CO -0.12 0.18 0.01 0.40 0.02 0.00 0.00 177.57 178.06 1waz h ILE 29 N 0.79 1.26 -0.55 4.57 2.04 -1.42 -2.61 117.51 121.60 1waz h ILE 29 Ca 0.21 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1waz h ILE 29 Cb -0.02 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1waz h ILE 29 CO -0.04 0.39 0.26 0.25 0.00 0.00 0.00 178.15 179.01 1waz h LEU 30 N 0.86 0.72 -0.51 1.44 5.85 -0.95 -0.75 115.31 121.96 1waz h LEU 30 Ca 0.16 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1waz h LEU 30 Cb 0.50 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1waz h LEU 30 CO 0.02 0.65 0.20 0.25 -0.34 0.00 0.00 178.44 179.22 1waz h LEU 31 N 0.73 0.71 -0.81 2.25 6.46 -1.23 -2.57 115.31 120.85 1waz h LEU 31 Ca 0.19 -0.17 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 1waz h LEU 31 Cb 0.12 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1waz h LEU 31 CO -0.02 0.69 0.13 1.23 -0.62 0.00 0.00 178.44 179.84 1waz h GLY 32 N 0.68 1.09 0.81 3.75 0.00 -1.23 -2.85 103.07 105.32 1waz h GLY 32 Ca 0.17 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.84 1waz h GLY 32 CO -0.01 0.64 0.29 -2.08 0.00 0.00 0.00 176.54 175.38 1waz h VAL 33 N 0.96 1.01 -0.91 4.60 2.07 -0.82 -2.08 116.25 121.08 1waz h VAL 33 Ca 0.20 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1waz h VAL 33 Cb 0.38 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1waz h VAL 33 CO 0.01 0.10 0.59 0.58 0.02 0.00 0.00 177.57 178.87 1waz h VAL 34 N 0.57 1.24 -0.87 2.57 2.07 -1.25 -2.44 116.25 118.14 1waz h VAL 34 Ca 0.22 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1waz h VAL 34 Cb 0.08 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.72 1waz h VAL 34 CO -0.12 0.24 0.57 1.23 0.02 0.00 0.00 177.57 179.50 1waz h GLY 35 N 1.25 1.24 1.11 2.17 0.00 -1.17 -2.21 103.07 105.45 1waz h GLY 35 Ca 0.33 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.20 1waz h GLY 35 CO -0.07 0.47 0.59 1.41 0.00 0.00 0.00 176.54 178.94 1waz h LEU 36 N 1.19 1.02 -0.24 3.11 3.38 -0.97 -2.70 115.31 120.09 1waz h LEU 36 Ca 0.32 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1waz h LEU 36 Cb -0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.36 1waz h LEU 36 CO -0.07 0.74 0.11 0.28 0.09 0.00 0.00 178.44 179.60 1waz h SER 37 N 1.21 0.17 -0.70 -0.43 0.02 -1.20 -1.53 113.55 111.08 1waz h SER 37 Ca 0.33 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.42 1waz h SER 37 Cb -0.13 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1waz h SER 37 CO -0.07 0.13 0.47 0.00 -1.14 0.00 0.00 176.83 176.21 1waz h ALA 38 N 1.13 2.07 -2.81 3.77 0.00 -1.36 -3.34 119.26 118.72 1waz h ALA 38 Ca 0.10 -0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.29 1waz h ALA 38 Cb 0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 17.46 1waz h ALA 38 CO -0.07 -0.24 -0.47 -1.17 0.00 0.00 0.00 179.25 177.30 1waz s LEU 39 N -9.36 5.23 -0.18 0.00 2.96 -0.58 -4.90 118.68 111.86 1waz s LEU 39 Ca -0.08 -1.62 0.24 0.00 -0.22 0.00 0.00 54.13 52.45 1waz s LEU 39 Cb 0.20 -1.97 0.48 0.00 0.50 0.00 0.00 46.19 45.41 1waz s LEU 39 CO 0.76 -0.56 1.13 0.35 -1.32 0.00 0.00 176.35 176.71 1waz n THR 40 N 4.88 0.89 -3.97 3.68 -2.24 -1.26 -4.80 114.28 111.46 1waz n THR 40 Ca -0.09 -2.33 -0.11 0.00 -2.27 0.00 0.00 64.05 59.25 1waz n THR 40 Cb 0.42 1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.71 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 -3.24 0.19 1.14 3.38 0.00 -1.26 -5.15 107.32 102.38 1waz s GLY 41 Ca 0.29 -0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.50 1waz s GLY 41 CO -0.08 -0.42 1.04 -0.47 0.00 0.00 0.00 173.10 173.18 1waz s TYR 42 N -0.85 1.50 -0.29 1.90 5.04 -1.26 -5.06 117.35 118.33 1waz s TYR 42 Ca -0.08 1.06 -0.16 0.00 -2.44 0.00 0.00 57.07 55.45 1waz s TYR 42 Cb -0.06 -3.14 0.17 0.00 0.35 0.00 0.00 41.96 39.28 1waz s TYR 42 CO -0.00 -3.68 1.10 -1.17 -1.34 0.00 0.00 175.55 170.46 1waz s LEU 43 N -7.04 -0.33 0.00 6.97 2.96 -1.26 -5.17 118.68 114.81 1waz s LEU 43 Ca 0.68 0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 54.91 1waz s LEU 43 Cb -0.23 1.45 0.26 0.00 0.50 0.00 0.00 46.19 48.17 1waz s LEU 43 CO 0.62 -0.08 0.89 0.47 -1.32 0.00 0.00 176.35 176.94 1waz n ASP 44 N 3.76 -2.10 -4.62 3.68 8.00 -1.26 -5.01 116.55 119.00 1waz n ASP 44 Ca -0.16 -1.02 -0.35 0.00 0.71 0.00 0.00 54.79 53.97 1waz n ASP 44 Cb 0.56 -0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 40.73 1waz n ASP 44 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1waz s TYR 45 N -2.58 3.23 0.00 1.24 1.13 -1.26 -5.06 117.35 114.05 1waz s TYR 45 Ca 0.59 0.02 0.00 0.00 -1.41 0.00 0.00 57.07 56.27 1waz s TYR 45 Cb -0.06 -2.08 0.00 0.00 -1.10 0.00 0.00 41.96 38.72 1waz s TYR 45 CO 0.45 0.12 0.00 1.33 -2.51 0.00 0.00 175.55 174.94 1waz n VAL 46 N 3.60 0.00 -0.11 -3.49 0.24 -1.26 -4.93 118.33 112.38 1waz n VAL 46 Ca -0.17 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.20 1waz n VAL 46 Cb 0.52 0.00 0.41 0.00 -1.47 0.00 0.00 33.84 33.30 1waz n VAL 46 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1waz h LEU 47 N 0.00 0.54 -7.18 1.34 3.38 -2.08 -3.40 115.31 107.91 1waz h LEU 47 Ca 0.00 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1waz h LEU 47 Cb 0.00 -0.12 -0.34 0.00 0.09 0.00 0.00 40.66 40.30 1waz h LEU 47 CO 0.00 0.36 -0.56 -0.76 0.09 0.00 0.00 178.44 177.56 1waz s LEU 48 N -9.55 -0.23 -0.81 1.67 1.43 -1.26 -5.04 118.68 104.88 1waz s LEU 48 Ca -0.09 0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 1waz s LEU 48 Cb 0.19 0.57 -0.10 0.00 0.03 0.00 0.00 46.19 46.88 1waz s LEU 48 CO 0.75 -0.25 1.98 -0.81 0.23 0.00 0.00 176.35 178.25 1waz n PRO 49 N 5.34 1.73 -0.09 1.29 -0.04 -1.26 -4.64 135.00 137.32 1waz n PRO 49 Ca -0.06 -1.59 0.19 0.00 -0.04 0.00 0.00 63.50 62.00 1waz n PRO 49 Cb 0.50 -2.65 0.61 0.00 -0.04 0.00 0.00 33.50 31.92 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 7.12 2.37 -0.16 0.55 0.00 -1.97 -1.39 119.26 125.79 1waz h ALA 50 Ca 0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1waz h ALA 50 Cb 0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1waz h ALA 50 CO 1.67 -0.56 -0.13 1.37 0.00 0.00 0.00 179.25 181.60 1waz h LEU 51 N 0.18 0.38 -0.60 0.00 8.10 -2.00 -1.41 115.31 119.97 1waz h LEU 51 Ca 0.33 -0.46 0.07 0.00 0.11 0.00 0.00 57.88 57.92 1waz h LEU 51 Cb 1.02 -0.11 -0.06 0.00 -0.44 0.00 0.00 40.66 41.07 1waz h LEU 51 CO -0.06 0.76 0.29 0.00 -4.11 0.00 0.00 178.44 175.33 1waz h ALA 52 N 0.63 0.79 -0.38 0.17 0.00 -1.65 -1.30 119.26 117.52 1waz h ALA 52 Ca 0.03 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1waz h ALA 52 Cb 0.64 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1waz h ALA 52 CO 0.03 -0.08 0.00 0.82 0.00 0.00 0.00 179.25 180.02 1waz h ILE 53 N 0.53 1.26 -0.47 0.00 2.04 -1.43 -2.15 117.51 117.29 1waz h ILE 53 Ca 0.28 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 65.22 1waz h ILE 53 Cb 0.25 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1waz h ILE 53 CO -0.22 0.33 0.15 0.15 0.00 0.00 0.00 178.15 178.56 1waz h PHE 54 N 0.49 0.26 -0.44 1.37 3.57 -0.61 -0.98 116.94 120.59 1waz h PHE 54 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1waz h PHE 54 Cb 0.46 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1waz h PHE 54 CO 0.04 0.08 0.17 0.82 -2.23 0.00 0.00 178.31 177.18 1waz h ILE 55 N 0.31 1.21 -0.14 1.41 1.08 -1.18 -0.10 117.51 120.10 1waz h ILE 55 Ca 0.22 -0.65 0.04 0.00 -0.39 0.00 0.00 64.86 64.08 1waz h ILE 55 Cb 0.24 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 1waz h ILE 55 CO -0.24 0.24 -0.12 1.23 -0.69 0.00 0.00 178.15 178.57 1waz h GLY 56 N 0.57 -0.02 1.22 5.37 0.00 -0.70 0.41 103.07 109.92 1waz h GLY 56 Ca 0.15 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 1waz h GLY 56 CO -0.01 -0.13 0.33 -2.00 0.00 0.00 0.00 176.54 174.73 1waz h LEU 57 N -0.14 0.91 0.01 3.11 6.46 -1.08 0.78 115.31 125.36 1waz h LEU 57 Ca 0.09 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1waz h LEU 57 Cb 0.27 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1waz h LEU 57 CO -0.22 0.78 -0.01 0.74 -0.62 0.00 0.00 178.44 179.11 1waz h THR 58 N 1.00 1.18 -0.42 1.05 2.02 0.16 -0.94 112.91 116.97 1waz h THR 58 Ca 0.24 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 1waz h THR 58 Cb 0.11 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1waz h THR 58 CO -0.03 0.15 -0.01 0.40 0.37 0.00 0.00 175.52 176.41 1waz h ILE 59 N -0.27 1.26 -0.10 3.11 1.08 -0.12 -2.15 117.51 120.32 1waz h ILE 59 Ca -0.00 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1waz h ILE 59 Cb 0.26 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1waz h ILE 59 CO 0.00 0.35 0.05 0.22 -0.69 0.00 0.00 178.15 178.09 1waz h TYR 60 N 0.59 0.10 -0.94 1.37 3.20 -0.81 -1.64 116.97 118.84 1waz h TYR 60 Ca 0.12 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1waz h TYR 60 Cb 0.50 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 1waz h TYR 60 CO 0.04 0.06 0.60 0.00 -1.64 0.00 0.00 178.16 177.22 1waz h ALA 61 N 1.05 1.28 -0.42 1.82 0.00 -1.13 -2.39 119.26 119.47 1waz h ALA 61 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1waz h ALA 61 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1waz h ALA 61 CO -0.02 0.41 0.17 0.82 0.00 0.00 0.00 179.25 180.63 1waz h ILE 62 N 1.12 1.20 -0.95 0.00 2.04 -0.89 -1.27 117.51 118.76 1waz h ILE 62 Ca 0.39 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1waz h ILE 62 Cb 0.10 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1waz h ILE 62 CO -0.15 0.22 0.63 -0.61 0.00 0.00 0.00 178.15 178.24 1waz h GLN 63 N 0.53 1.21 -0.03 2.37 4.15 -0.92 0.14 115.11 122.56 1waz h GLN 63 Ca 0.14 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1waz h GLN 63 Cb 0.19 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 1waz h GLN 63 CO -0.01 0.80 -0.00 0.00 -1.93 0.00 0.00 178.83 177.69 1waz h ARG 64 N 1.24 0.05 0.11 1.69 3.08 -1.16 0.18 114.38 119.56 1waz h ARG 64 Ca 0.37 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1waz h ARG 64 Cb -0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1waz h ARG 64 CO -0.10 0.36 -0.11 0.87 -1.07 0.00 0.00 179.97 179.92 1waz h LYS 65 N -0.27 -0.24 -0.99 0.04 6.56 -0.95 -2.18 116.57 118.54 1waz h LYS 65 Ca 0.01 0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.71 1waz h LYS 65 Cb 0.34 0.05 -0.08 0.00 -0.57 0.00 0.00 32.23 31.98 1waz h LYS 65 CO 0.00 -0.16 0.63 0.00 -2.06 0.00 0.00 179.45 177.86 1waz h ARG 66 N -0.25 1.03 -2.78 3.15 3.08 -0.72 -3.41 114.38 114.48 1waz h ARG 66 Ca 0.01 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1waz h ARG 66 Cb 0.24 -0.23 -0.09 0.00 0.08 0.00 0.00 29.97 29.97 1waz h ARG 66 CO -0.03 0.68 0.31 -1.14 -1.07 0.00 0.00 179.97 178.71 1waz s GLN 67 N -6.00 1.40 -1.03 0.04 0.74 0.05 -4.87 119.66 109.98 1waz s GLN 67 Ca -0.12 -0.68 -0.03 0.00 0.05 0.00 0.00 55.36 54.58 1waz s GLN 67 Cb 0.21 0.54 -0.03 0.00 1.10 0.00 0.00 33.01 34.82 1waz s GLN 67 CO 0.81 -0.63 0.88 0.00 -0.55 0.00 0.00 175.29 175.80 1waz n ALA 68 N -0.41 -2.10 1.98 1.58 0.00 -1.25 -3.41 120.51 116.90 1waz n ALA 68 Ca -0.09 0.04 0.16 0.00 0.00 0.00 0.00 53.44 53.55 1waz n ALA 68 Cb 0.61 -3.89 0.94 0.00 0.00 0.00 0.00 19.45 17.12 1waz n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03