#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 -0.35 -0.78 0.13 -1.96 -2.90 132.00 126.14 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 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1waz h PRO 25 CO 0.00 0.07 -0.05 -0.24 -0.23 0.00 0.00 178.00 177.55 1waz h VAL 26 N 0.00 1.22 -0.75 1.56 3.04 -2.00 -2.62 116.25 116.71 1waz h VAL 26 Ca -0.00 -0.92 0.03 0.00 -1.01 0.00 0.00 66.70 64.80 1waz h VAL 26 Cb 0.52 1.01 -0.04 0.00 -2.01 0.00 0.00 31.29 30.77 1waz h VAL 26 CO 0.01 0.31 0.49 0.25 -1.01 0.00 0.00 177.57 177.62 1waz h LEU 27 N 0.53 0.78 -0.65 3.16 5.85 -1.96 -2.16 115.31 120.88 1waz h LEU 27 Ca 0.11 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1waz h LEU 27 Cb 0.42 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1waz h LEU 27 CO 0.02 0.54 0.39 0.58 -0.34 0.00 0.00 178.44 179.63 1waz h VAL 28 N 0.91 1.19 -0.52 1.05 2.07 -1.62 -1.91 116.25 117.41 1waz h VAL 28 Ca 0.30 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1waz h VAL 28 Cb 0.06 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1waz h VAL 28 CO -0.09 0.19 -0.03 0.40 0.02 0.00 0.00 177.57 178.07 1waz h ILE 29 N 0.88 1.26 -0.50 4.57 2.04 -1.44 -2.54 117.51 121.78 1waz h ILE 29 Ca 0.23 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 1waz h ILE 29 Cb -0.03 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1waz h ILE 29 CO -0.04 0.40 0.19 -0.07 0.00 0.00 0.00 178.15 178.62 1waz h LEU 30 N 0.83 0.69 -0.53 1.44 -0.00 -0.99 -0.72 115.31 116.03 1waz h LEU 30 Ca 0.15 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 1waz h LEU 30 Cb 0.54 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 1waz h LEU 30 CO 0.03 0.68 0.20 0.25 -0.00 0.00 0.00 178.44 179.60 1waz h LEU 31 N 0.66 0.74 -0.77 1.67 6.46 -1.24 -2.50 115.31 120.33 1waz h LEU 31 Ca 0.16 -0.18 -0.08 0.00 -0.12 0.00 0.00 57.88 57.67 1waz h LEU 31 Cb 0.21 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1waz h LEU 31 CO -0.01 0.72 0.09 1.23 -0.62 0.00 0.00 178.44 179.84 1waz h GLY 32 N 0.73 1.09 0.84 3.75 0.00 -1.26 -2.81 103.07 105.42 1waz h GLY 32 Ca 0.18 -0.72 0.03 0.00 0.00 0.00 0.00 47.33 46.81 1waz h GLY 32 CO -0.01 0.67 0.27 -2.08 0.00 0.00 0.00 176.54 175.39 1waz h VAL 33 N 0.95 1.02 -0.88 4.60 2.07 -0.80 -2.17 116.25 121.04 1waz h VAL 33 Ca 0.19 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1waz h VAL 33 Cb 0.43 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1waz h VAL 33 CO 0.01 0.10 0.55 0.58 0.02 0.00 0.00 177.57 178.84 1waz h VAL 34 N 0.54 1.24 -0.88 2.57 2.07 -1.27 -2.47 116.25 118.04 1waz h VAL 34 Ca 0.20 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1waz h VAL 34 Cb 0.05 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 1waz h VAL 34 CO -0.10 0.24 0.58 1.23 0.02 0.00 0.00 177.57 179.54 1waz h GLY 35 N 1.21 1.24 1.15 2.17 0.00 -1.16 -2.14 103.07 105.55 1waz h GLY 35 Ca 0.32 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.20 1waz h GLY 35 CO -0.06 0.45 0.57 -2.00 0.00 0.00 0.00 176.54 175.49 1waz h LEU 36 N 1.19 0.99 -0.28 3.11 5.85 -0.97 -2.72 115.31 122.49 1waz h LEU 36 Ca 0.33 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1waz h LEU 36 Cb -0.13 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.63 1waz h LEU 36 CO -0.07 0.72 0.12 0.28 -0.34 0.00 0.00 178.44 179.15 1waz h SER 37 N 1.17 0.17 -0.67 1.25 0.02 -1.19 -1.47 113.55 112.83 1waz h SER 37 Ca 0.32 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.40 1waz h SER 37 Cb -0.13 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1waz h SER 37 CO -0.07 0.13 0.45 0.00 -1.14 0.00 0.00 176.83 176.20 1waz h ALA 38 N 1.15 2.01 -2.81 3.77 0.00 -1.38 -3.36 119.26 118.65 1waz h ALA 38 Ca 0.12 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.31 1waz h ALA 38 Cb 0.06 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 17.50 1waz h ALA 38 CO -0.10 -0.17 -0.49 -0.51 0.00 0.00 0.00 179.25 177.98 1waz s LEU 39 N -9.40 4.91 -0.25 0.00 1.43 -0.55 -4.89 118.68 109.94 1waz s LEU 39 Ca -0.08 -1.25 0.18 0.00 -1.03 0.00 0.00 54.13 51.95 1waz s LEU 39 Cb 0.20 -2.00 0.44 0.00 0.03 0.00 0.00 46.19 44.86 1waz s LEU 39 CO 0.76 -0.46 1.26 0.35 0.23 0.00 0.00 176.35 178.48 1waz n THR 40 N 4.95 0.64 -0.91 5.49 -2.24 -1.26 -4.81 114.28 116.15 1waz n THR 40 Ca -0.11 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 59.76 1waz n THR 40 Cb 0.44 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.78 2.49 3.04 3.38 0.00 -1.26 -5.13 105.19 106.93 1waz n GLY 41 Ca -0.04 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 43.95 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 3.28 0.87 -0.28 1.61 5.04 -1.26 -5.14 117.35 121.47 1waz s TYR 42 Ca 0.00 -0.19 -0.20 0.00 -2.44 0.00 0.00 57.07 54.24 1waz s TYR 42 Cb 0.00 -0.55 0.10 0.00 0.35 0.00 0.00 41.96 41.86 1waz s TYR 42 CO 0.00 -0.01 0.82 -1.17 -1.34 0.00 0.00 175.55 173.85 1waz s LEU 43 N -0.36 -0.71 0.00 6.97 0.20 -1.26 -5.17 118.68 118.35 1waz s LEU 43 Ca 0.03 1.22 0.00 0.00 0.69 0.00 0.00 54.13 56.07 1waz s LEU 43 Cb -0.04 2.16 0.00 0.00 -0.43 0.00 0.00 46.19 47.88 1waz s LEU 43 CO -0.00 -0.20 0.00 0.47 -0.29 0.00 0.00 176.35 176.33 1waz n ASP 44 N 3.44 -0.14 -4.67 3.68 8.00 -1.26 -4.99 116.55 120.61 1waz n ASP 44 Ca -0.17 -0.66 -0.41 0.00 0.71 0.00 0.00 54.79 54.26 1waz n ASP 44 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.63 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 -0.73 3.43 0.00 1.24 1.13 -1.26 -5.04 117.35 116.13 1waz s TYR 45 Ca 0.00 1.23 0.00 0.00 -1.41 0.00 0.00 57.07 56.89 1waz s TYR 45 Cb 0.00 -2.97 0.00 0.00 -1.10 0.00 0.00 41.96 37.89 1waz s TYR 45 CO 0.00 -0.20 0.00 1.33 -2.51 0.00 0.00 175.55 174.17 1waz n VAL 46 N 4.63 0.00 -0.36 -3.49 0.24 -1.26 -4.95 118.33 113.14 1waz n VAL 46 Ca 0.03 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.41 1waz n VAL 46 Cb 0.49 0.00 0.25 0.00 -1.47 0.00 0.00 33.84 33.11 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 0.91 -7.00 1.34 5.85 -2.07 -3.43 115.31 110.92 1waz h LEU 47 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1waz h LEU 47 Cb 0.00 -0.12 -0.22 0.00 0.37 0.00 0.00 40.66 40.69 1waz h LEU 47 CO 0.00 0.46 0.14 -0.22 -0.34 0.00 0.00 178.44 178.48 1waz s LEU 48 N -10.23 -0.77 -0.97 2.25 0.20 -1.26 -5.05 118.68 102.85 1waz s LEU 48 Ca -0.12 1.39 -0.17 0.00 0.69 0.00 0.00 54.13 55.93 1waz s LEU 48 Cb 0.23 2.37 -0.10 0.00 -0.43 0.00 0.00 46.19 48.26 1waz s LEU 48 CO 0.81 -0.23 2.07 -0.81 -0.29 0.00 0.00 176.35 177.90 1waz n PRO 49 N 3.10 1.98 -0.31 0.98 -0.04 -1.26 -4.69 135.00 134.76 1waz n PRO 49 Ca -0.16 -1.92 0.10 0.00 -0.04 0.00 0.00 63.50 61.48 1waz n PRO 49 Cb 0.56 -2.88 0.32 0.00 -0.04 0.00 0.00 33.50 31.45 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 7.07 1.69 -0.01 0.55 0.00 -1.98 -1.12 119.26 125.46 1waz h ALA 50 Ca 0.49 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1waz h ALA 50 Cb 0.54 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1waz h ALA 50 CO 1.83 0.06 -0.00 1.25 0.00 0.00 0.00 179.25 182.40 1waz h LEU 51 N 0.83 0.01 -0.67 0.00 7.12 -2.00 -0.71 115.31 119.89 1waz h LEU 51 Ca 0.47 -0.38 0.07 0.00 0.13 0.00 0.00 57.88 58.18 1waz h LEU 51 Cb 0.62 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.69 1waz h LEU 51 CO -0.24 0.39 0.35 0.00 -0.13 0.00 0.00 178.44 178.81 1waz h ALA 52 N 0.62 0.90 -0.38 1.25 0.00 -1.78 -1.72 119.26 118.15 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 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1waz h ALA 52 CO 0.00 -0.01 0.06 0.82 0.00 0.00 0.00 179.25 180.12 1waz h ILE 53 N 0.63 1.24 -0.66 0.00 2.04 -1.17 -2.27 117.51 117.31 1waz h ILE 53 Ca 0.31 -0.86 0.09 0.00 1.00 0.00 0.00 64.86 65.41 1waz h ILE 53 Cb 0.26 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1waz h ILE 53 CO -0.22 0.29 0.29 0.15 0.00 0.00 0.00 178.15 178.66 1waz h PHE 54 N 0.48 0.51 -0.44 1.37 3.57 -0.43 -1.51 116.94 120.49 1waz h PHE 54 Ca 0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1waz h PHE 54 Cb 0.37 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1waz h PHE 54 CO 0.02 0.16 0.12 0.82 -2.23 0.00 0.00 178.31 177.21 1waz h ILE 55 N 0.50 1.23 -0.26 1.41 2.04 -1.19 -0.97 117.51 120.27 1waz h ILE 55 Ca 0.33 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.48 1waz h ILE 55 Cb 0.38 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1waz h ILE 55 CO -0.29 0.27 -0.10 1.23 0.00 0.00 0.00 178.15 179.27 1waz h GLY 56 N 0.57 0.14 1.36 5.37 0.00 -0.73 0.26 103.07 110.05 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 -0.00 -0.12 0.20 -2.00 0.00 0.00 0.00 176.54 174.61 1waz h LEU 57 N -0.05 0.75 -0.01 3.11 6.46 -1.19 -0.11 115.31 124.26 1waz h LEU 57 Ca 0.13 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1waz h LEU 57 Cb 0.25 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1waz h LEU 57 CO -0.29 0.69 0.00 0.74 -0.62 0.00 0.00 178.44 178.96 1waz h THR 58 N 0.80 1.19 -0.47 1.05 2.02 0.27 -1.15 112.91 116.63 1waz h THR 58 Ca 0.19 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 1waz h THR 58 Cb 0.19 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1waz h THR 58 CO -0.01 0.15 0.01 0.40 0.37 0.00 0.00 175.52 176.44 1waz h ILE 59 N -0.22 1.26 -0.06 3.11 2.04 -0.43 -1.89 117.51 121.32 1waz h ILE 59 Ca 0.00 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1waz h ILE 59 Cb 0.24 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1waz h ILE 59 CO 0.00 0.36 0.03 1.88 0.00 0.00 0.00 178.15 180.42 1waz h TYR 60 N 0.67 0.05 -0.79 1.37 0.05 -0.97 -0.97 116.97 116.39 1waz h TYR 60 Ca 0.13 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.94 1waz h TYR 60 Cb 0.49 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.17 1waz h TYR 60 CO 0.04 0.03 0.51 0.00 -1.05 0.00 0.00 178.16 177.69 1waz h ALA 61 N 1.03 1.02 -0.31 3.88 0.00 -1.17 -2.00 119.26 121.70 1waz h ALA 61 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1waz h ALA 61 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1waz h ALA 61 CO -0.02 0.36 0.12 0.82 0.00 0.00 0.00 179.25 180.54 1waz h ILE 62 N 1.02 1.18 -0.94 0.00 2.04 -0.95 -1.09 117.51 118.77 1waz h ILE 62 Ca 0.30 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1waz h ILE 62 Cb -0.06 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1waz h ILE 62 CO -0.09 0.20 0.58 1.56 0.00 0.00 0.00 178.15 180.40 1waz h GLN 63 N 0.36 1.27 0.10 2.37 4.20 -0.95 0.29 115.11 122.75 1waz h GLN 63 Ca 0.10 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1waz h GLN 63 Cb 0.19 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1waz h GLN 63 CO -0.01 0.88 -0.05 -0.09 -0.67 0.00 0.00 178.83 178.89 1waz h ARG 64 N 1.29 -0.12 -0.17 1.46 2.43 -1.11 0.43 114.38 118.59 1waz h ARG 64 Ca 0.34 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.55 1waz h ARG 64 Cb -0.08 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1waz h ARG 64 CO -0.07 0.20 0.00 0.87 -1.51 0.00 0.00 179.97 179.47 1waz h LYS 65 N -0.46 0.06 -0.92 0.20 1.57 -1.02 -1.78 116.57 114.21 1waz h LYS 65 Ca -0.01 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1waz h LYS 65 Cb 0.38 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1waz h LYS 65 CO 0.02 0.04 0.60 0.00 -0.57 0.00 0.00 179.45 179.55 1waz h ARG 66 N 0.06 1.10 -2.30 3.15 3.08 -0.91 -3.44 114.38 115.12 1waz h ARG 66 Ca 0.08 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1waz h ARG 66 Cb 0.09 -0.25 -0.19 0.00 0.08 0.00 0.00 29.97 29.70 1waz h ARG 66 CO -0.13 0.73 0.05 -1.14 -1.07 0.00 0.00 179.97 178.41 1waz s GLN 67 N -5.97 0.94 0.32 0.04 0.74 0.14 -5.09 119.66 110.78 1waz s GLN 67 Ca -0.12 0.15 -0.18 0.00 0.05 0.00 0.00 55.36 55.25 1waz s GLN 67 Cb 0.19 0.44 0.03 0.00 1.10 0.00 0.00 33.01 34.77 1waz s GLN 67 CO 0.80 -0.28 0.73 0.00 -0.55 0.00 0.00 175.29 175.99 1waz s ALA 68 N -1.19 -0.96 0.00 1.58 0.00 -1.22 -3.56 121.76 116.41 1waz s ALA 68 Ca -0.11 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1waz s ALA 68 Cb -0.02 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1waz s ALA 68 CO 0.08 -1.01 0.00 -0.40 0.00 0.00 0.00 175.76 174.43