#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 0.00 -0.00 -0.78 0.13 -1.95 -2.84 132.00 126.56 1waz h PRO 25 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1waz h PRO 25 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1waz h PRO 25 CO 0.00 0.34 -0.28 0.28 -0.23 0.00 0.00 178.00 178.11 1waz h VAL 26 N 0.00 1.20 -0.76 1.56 2.07 -1.96 -2.81 116.25 115.55 1waz h VAL 26 Ca -0.00 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 66.67 1waz h VAL 26 Cb 0.74 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1waz h VAL 26 CO 0.04 0.27 0.50 0.25 0.02 0.00 0.00 177.57 178.65 1waz h LEU 27 N 0.00 0.58 -1.47 2.57 5.85 -1.96 -0.92 115.31 119.96 1waz h LEU 27 Ca -0.00 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1waz h LEU 27 Cb 0.49 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1waz h LEU 27 CO 0.04 0.34 0.39 -0.37 -0.34 0.00 0.00 178.44 178.50 1waz h VAL 28 N 0.64 1.08 -0.52 1.05 -1.51 -1.67 -1.75 116.25 113.57 1waz h VAL 28 Ca 0.35 -0.24 -0.08 0.00 -1.23 0.00 0.00 66.70 65.51 1waz h VAL 28 Cb 0.52 0.32 -0.02 0.00 -2.13 0.00 0.00 31.29 29.98 1waz h VAL 28 CO -0.13 0.13 0.02 0.40 -1.23 0.00 0.00 177.57 176.75 1waz h ILE 29 N 0.70 1.25 -0.52 7.19 2.04 -1.32 -2.52 117.51 124.32 1waz h ILE 29 Ca 0.24 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1waz h ILE 29 Cb 0.08 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1waz h ILE 29 CO -0.06 0.37 0.23 -0.07 0.00 0.00 0.00 178.15 178.61 1waz h LEU 30 N 0.81 0.70 -0.51 1.44 3.38 -1.33 -0.58 115.31 119.22 1waz h LEU 30 Ca 0.16 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1waz h LEU 30 Cb 0.46 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1waz h LEU 30 CO 0.02 0.66 0.16 -0.07 0.09 0.00 0.00 178.44 179.29 1waz h LEU 31 N 0.70 0.74 -0.76 1.67 3.38 -1.36 -2.51 115.31 117.18 1waz h LEU 31 Ca 0.18 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1waz h LEU 31 Cb 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1waz h LEU 31 CO -0.02 0.76 0.14 1.23 0.09 0.00 0.00 178.44 180.64 1waz h GLY 32 N 0.69 1.16 0.84 0.83 0.00 -1.23 -2.76 103.07 102.61 1waz h GLY 32 Ca 0.16 -0.74 0.03 0.00 0.00 0.00 0.00 47.33 46.79 1waz h GLY 32 CO -0.00 0.68 0.29 -2.08 0.00 0.00 0.00 176.54 175.43 1waz h VAL 33 N 1.02 1.03 -0.89 4.60 2.07 -0.83 -2.19 116.25 121.06 1waz h VAL 33 Ca 0.21 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1waz h VAL 33 Cb 0.39 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1waz h VAL 33 CO 0.01 0.11 0.56 0.58 0.02 0.00 0.00 177.57 178.84 1waz h VAL 34 N 0.58 1.24 -0.91 2.57 2.07 -1.24 -2.47 116.25 118.09 1waz h VAL 34 Ca 0.21 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1waz h VAL 34 Cb 0.05 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.73 1waz h VAL 34 CO -0.11 0.24 0.60 1.23 0.02 0.00 0.00 177.57 179.56 1waz h GLY 35 N 1.22 1.29 1.24 2.17 0.00 -1.13 -2.02 103.07 105.84 1waz h GLY 35 Ca 0.32 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.19 1waz h GLY 35 CO -0.06 0.45 0.50 1.41 0.00 0.00 0.00 176.54 178.84 1waz h LEU 36 N 1.22 0.89 -0.33 3.11 3.38 -1.01 -2.72 115.31 119.85 1waz h LEU 36 Ca 0.34 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.31 1waz h LEU 36 Cb -0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1waz h LEU 36 CO -0.08 0.65 0.14 -1.28 0.09 0.00 0.00 178.44 177.97 1waz h SER 37 N 1.05 0.20 -0.69 -0.43 0.87 -1.19 -1.27 113.55 112.08 1waz h SER 37 Ca 0.28 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 61.00 1waz h SER 37 Cb -0.11 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1waz h SER 37 CO -0.06 0.15 0.47 0.00 -0.53 0.00 0.00 176.83 176.86 1waz h ALA 38 N 1.19 2.15 -3.01 6.23 0.00 -1.41 -3.36 119.26 121.05 1waz h ALA 38 Ca 0.14 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.35 1waz h ALA 38 Cb 0.08 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 17.55 1waz h ALA 38 CO -0.12 -0.33 -0.58 -1.17 0.00 0.00 0.00 179.25 177.06 1waz s LEU 39 N -9.28 4.38 -0.26 0.00 0.20 -0.48 -4.91 118.68 108.33 1waz s LEU 39 Ca -0.07 -1.01 0.18 0.00 0.69 0.00 0.00 54.13 53.92 1waz s LEU 39 Cb 0.21 -1.93 0.44 0.00 -0.43 0.00 0.00 46.19 44.47 1waz s LEU 39 CO 0.76 -0.32 1.28 0.35 -0.29 0.00 0.00 176.35 178.12 1waz n THR 40 N 4.89 0.62 -0.96 3.68 -2.24 -1.26 -4.82 114.28 114.19 1waz n THR 40 Ca -0.13 -1.87 0.00 0.00 -2.27 0.00 0.00 64.05 59.78 1waz n THR 40 Cb 0.46 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1waz n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1waz n GLY 41 N -0.86 2.34 3.03 3.38 0.00 -1.26 -5.13 105.19 106.69 1waz n GLY 41 Ca -0.05 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 1waz n GLY 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1waz s TYR 42 N 3.18 0.75 -0.28 1.61 5.04 -1.26 -5.14 117.35 121.25 1waz s TYR 42 Ca 0.00 -0.23 -0.18 0.00 -2.44 0.00 0.00 57.07 54.22 1waz s TYR 42 Cb 0.00 -0.47 0.09 0.00 0.35 0.00 0.00 41.96 41.93 1waz s TYR 42 CO 0.00 -0.02 0.76 -1.17 -1.34 0.00 0.00 175.55 173.79 1waz s LEU 43 N -0.58 -0.81 0.00 6.97 0.20 -1.26 -5.17 118.68 118.03 1waz s LEU 43 Ca 0.00 1.35 0.00 0.00 0.69 0.00 0.00 54.13 56.17 1waz s LEU 43 Cb -0.05 2.27 0.00 0.00 -0.43 0.00 0.00 46.19 47.98 1waz s LEU 43 CO 0.00 -0.22 0.00 -0.67 -0.29 0.00 0.00 176.35 175.17 1waz n ASP 44 N 3.77 0.00 -4.65 3.68 -0.08 -1.26 -5.01 116.55 113.01 1waz n ASP 44 Ca -0.18 -0.43 -0.39 0.00 -1.51 0.00 0.00 54.79 52.28 1waz n ASP 44 Cb 0.58 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.97 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 -0.37 3.34 0.00 -0.67 1.13 -1.26 -5.05 117.35 114.47 1waz s TYR 45 Ca 0.00 0.73 0.00 0.00 -1.41 0.00 0.00 57.07 56.39 1waz s TYR 45 Cb 0.00 -2.68 0.00 0.00 -1.10 0.00 0.00 41.96 38.18 1waz s TYR 45 CO 0.00 -0.15 0.00 1.33 -2.51 0.00 0.00 175.55 174.22 1waz n VAL 46 N 4.72 0.00 -0.33 -3.49 0.24 -1.26 -4.94 118.33 113.27 1waz n VAL 46 Ca -0.05 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.34 1waz n VAL 46 Cb 0.50 0.00 0.28 0.00 -1.47 0.00 0.00 33.84 33.15 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 0.85 -7.07 1.34 5.85 -2.07 -3.42 115.31 110.78 1waz h LEU 47 Ca 0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1waz h LEU 47 Cb 0.00 -0.13 -0.22 0.00 0.37 0.00 0.00 40.66 40.68 1waz h LEU 47 CO 0.00 0.46 -0.00 -0.76 -0.34 0.00 0.00 178.44 177.79 1waz s LEU 48 N -10.09 -0.54 -1.02 2.25 1.43 -1.26 -5.05 118.68 104.40 1waz s LEU 48 Ca -0.11 1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.19 1waz s LEU 48 Cb 0.22 2.16 -0.08 0.00 0.03 0.00 0.00 46.19 48.53 1waz s LEU 48 CO 0.80 -0.22 2.19 -0.81 0.23 0.00 0.00 176.35 178.53 1waz n PRO 49 N 3.31 2.22 -0.35 1.29 -0.04 -1.26 -4.66 135.00 135.50 1waz n PRO 49 Ca -0.16 -1.77 0.07 0.00 -0.04 0.00 0.00 63.50 61.60 1waz n PRO 49 Cb 0.56 -2.70 0.24 0.00 -0.04 0.00 0.00 33.50 31.57 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 6.53 1.48 -0.02 0.55 0.00 -1.98 -0.49 119.26 125.33 1waz h ALA 50 Ca 0.53 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 1waz h ALA 50 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1waz h ALA 50 CO 1.67 0.15 -0.00 1.25 0.00 0.00 0.00 179.25 182.31 1waz h LEU 51 N 0.91 0.03 -0.70 0.00 7.12 -2.00 -1.01 115.31 119.66 1waz h LEU 51 Ca 0.50 -0.38 0.07 0.00 0.13 0.00 0.00 57.88 58.21 1waz h LEU 51 Cb 0.55 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.61 1waz h LEU 51 CO -0.29 0.40 0.37 0.00 -0.13 0.00 0.00 178.44 178.79 1waz h ALA 52 N 0.63 0.95 -0.42 1.25 0.00 -1.78 -1.82 119.26 118.08 1waz h ALA 52 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1waz h ALA 52 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1waz h ALA 52 CO 0.00 0.02 0.08 0.82 0.00 0.00 0.00 179.25 180.17 1waz h ILE 53 N 0.67 1.24 -0.66 0.00 2.04 -1.05 -2.29 117.51 117.47 1waz h ILE 53 Ca 0.33 -0.86 0.09 0.00 1.00 0.00 0.00 64.86 65.42 1waz h ILE 53 Cb 0.27 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1waz h ILE 53 CO -0.22 0.30 0.30 0.15 0.00 0.00 0.00 178.15 178.68 1waz h PHE 54 N 0.54 0.53 -0.46 1.37 3.57 -0.45 -1.53 116.94 120.51 1waz h PHE 54 Ca 0.13 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1waz h PHE 54 Cb 0.36 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1waz h PHE 54 CO 0.02 0.18 0.13 0.82 -2.23 0.00 0.00 178.31 177.23 1waz h ILE 55 N 0.52 1.23 -0.26 1.41 1.08 -1.20 -0.44 117.51 119.86 1waz h ILE 55 Ca 0.33 -0.78 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 1waz h ILE 55 Cb 0.36 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 1waz h ILE 55 CO -0.27 0.28 -0.08 1.23 -0.69 0.00 0.00 178.15 178.62 1waz h GLY 56 N 0.61 0.16 1.21 5.37 0.00 -0.74 0.45 103.07 110.14 1waz h GLY 56 Ca 0.15 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.52 1waz h GLY 56 CO -0.00 -0.11 0.17 -2.00 0.00 0.00 0.00 176.54 174.60 1waz h LEU 57 N -0.02 0.92 0.01 3.11 6.46 -1.19 0.12 115.31 124.72 1waz h LEU 57 Ca 0.13 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1waz h LEU 57 Cb 0.21 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1waz h LEU 57 CO -0.28 0.88 -0.00 0.74 -0.62 0.00 0.00 178.44 179.16 1waz h THR 58 N 0.95 1.17 -0.36 1.05 2.02 0.15 -0.32 112.91 117.57 1waz h THR 58 Ca 0.21 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1waz h THR 58 Cb 0.31 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1waz h THR 58 CO -0.00 0.14 -0.09 0.40 0.37 0.00 0.00 175.52 176.33 1waz h ILE 59 N -0.24 1.28 -0.08 3.11 2.04 -0.08 -1.86 117.51 121.67 1waz h ILE 59 Ca -0.00 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1waz h ILE 59 Cb 0.24 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1waz h ILE 59 CO 0.00 0.38 0.05 1.88 0.00 0.00 0.00 178.15 180.47 1waz h TYR 60 N 0.50 0.10 -0.98 1.37 -1.99 -0.73 -1.43 116.97 113.82 1waz h TYR 60 Ca 0.09 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.83 1waz h TYR 60 Cb 0.61 -0.03 -0.05 0.00 2.00 0.00 0.00 36.73 39.25 1waz h TYR 60 CO 0.05 0.07 0.65 0.00 -0.00 0.00 0.00 178.16 178.93 1waz h ALA 61 N 1.02 1.24 -0.36 3.88 0.00 -1.05 -2.22 119.26 121.77 1waz h ALA 61 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1waz h ALA 61 Cb -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1waz h ALA 61 CO -0.01 0.62 0.11 0.82 0.00 0.00 0.00 179.25 180.80 1waz h ILE 62 N 1.32 1.21 -0.85 0.00 2.04 -0.94 -1.45 117.51 118.84 1waz h ILE 62 Ca 0.36 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1waz h ILE 62 Cb -0.15 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1waz h ILE 62 CO -0.08 0.24 0.48 -0.61 0.00 0.00 0.00 178.15 178.18 1waz h GLN 63 N 0.43 1.18 0.09 2.37 4.15 -1.02 -0.10 115.11 122.21 1waz h GLN 63 Ca 0.12 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1waz h GLN 63 Cb 0.26 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1waz h GLN 63 CO -0.00 0.85 -0.04 0.00 -1.93 0.00 0.00 178.83 177.70 1waz h ARG 64 N 1.19 -0.12 -0.25 1.69 3.08 -1.16 -0.66 114.38 118.14 1waz h ARG 64 Ca 0.30 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.39 1waz h ARG 64 Cb 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1waz h ARG 64 CO -0.05 0.19 0.06 0.87 -1.07 0.00 0.00 179.97 179.97 1waz h LYS 65 N -0.44 0.16 -0.98 0.04 1.57 -1.10 -1.78 116.57 114.04 1waz h LYS 65 Ca -0.01 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1waz h LYS 65 Cb 0.36 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 1waz h LYS 65 CO 0.02 0.10 0.62 0.00 -0.57 0.00 0.00 179.45 179.63 1waz h ARG 66 N 0.16 1.04 -2.32 3.15 3.08 -0.96 -3.44 114.38 115.08 1waz h ARG 66 Ca 0.11 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1waz h ARG 66 Cb 0.11 -0.24 -0.19 0.00 0.08 0.00 0.00 29.97 29.73 1waz h ARG 66 CO -0.14 0.69 0.09 1.14 -1.07 0.00 0.00 179.97 180.68 1waz s GLN 67 N -6.01 0.99 -0.25 0.04 -2.07 -0.26 -5.01 119.66 107.09 1waz s GLN 67 Ca -0.12 0.09 -0.30 0.00 -1.82 0.00 0.00 55.36 53.21 1waz s GLN 67 Cb 0.21 0.46 0.17 0.00 -1.09 0.00 0.00 33.01 32.76 1waz s GLN 67 CO 0.81 -0.32 1.25 0.00 -1.32 0.00 0.00 175.29 175.71 1waz s ALA 68 N -1.48 -2.06 -0.83 2.60 0.00 -1.23 -3.77 121.76 114.98 1waz s ALA 68 Ca -0.10 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1waz s ALA 68 Cb -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1waz s ALA 68 CO 0.07 -0.27 0.21 -0.40 0.00 0.00 0.00 175.76 175.36