#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kby n GLU 2 N 0.00 0.00 0.00 -1.24 0.28 -1.26 -5.14 120.64 113.29 2kby n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2kby n GLU 2 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2kby n GLU 2 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kby n ASP 3 N 0.00 0.00 -4.77 -1.84 9.92 -1.26 -4.97 116.55 113.63 2kby n ASP 3 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 2kby n ASP 3 Cb 0.29 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.75 2kby n ASP 3 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kby s THR 4 N 0.00 3.24 0.26 -3.53 2.01 -1.26 -5.04 115.64 111.32 2kby s THR 4 Ca 0.00 1.05 0.06 0.00 0.31 0.00 0.00 61.69 63.11 2kby s THR 4 Cb 0.00 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 2kby s THR 4 CO 0.00 0.11 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.67 2kby s TYR 5 N -1.41 1.83 -0.15 4.92 2.02 -1.26 -5.14 117.35 118.16 2kby s TYR 5 Ca 0.56 -0.73 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 2kby s TYR 5 Cb -0.30 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 2kby s TYR 5 CO 0.38 0.22 -0.11 0.71 -1.57 0.00 0.00 175.55 175.18 2kby s TYR 6 N -3.10 2.86 -0.29 2.71 2.02 -1.26 -5.09 117.35 115.21 2kby s TYR 6 Ca 0.28 -0.72 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 2kby s TYR 6 Cb 0.04 -1.91 0.04 0.00 -0.40 0.00 0.00 41.96 39.73 2kby s TYR 6 CO 0.10 -0.29 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.60 2kby s LEU 7 N 0.62 3.71 -0.31 -1.29 2.96 -1.26 -5.08 118.68 118.03 2kby s LEU 7 Ca -0.06 -1.17 -0.24 0.00 -0.22 0.00 0.00 54.13 52.44 2kby s LEU 7 Cb -0.15 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.84 2kby s LEU 7 CO 0.03 -0.22 0.81 -1.58 -1.32 0.00 0.00 176.35 174.06 2kby s GLN 8 N 1.27 3.95 -0.12 1.98 0.74 -1.26 -5.01 119.66 121.22 2kby s GLN 8 Ca -0.04 0.60 0.03 0.00 0.05 0.00 0.00 55.36 56.00 2kby s GLN 8 Cb -0.19 -3.73 0.01 0.00 1.10 0.00 0.00 33.01 30.20 2kby s GLN 8 CO -0.02 -0.71 -0.20 0.08 -0.55 0.00 0.00 175.29 173.90 2kby s VAL 9 N 3.02 1.81 -0.10 1.34 1.01 -1.26 -5.12 120.40 121.10 2kby s VAL 9 Ca 0.33 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 2kby s VAL 9 Cb -0.14 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2kby s VAL 9 CO 0.13 0.50 0.27 -0.60 0.00 0.00 0.00 175.10 175.40 2kby s ARG 10 N 0.75 3.87 0.00 2.72 3.00 -1.26 -4.73 118.95 123.29 2kby s ARG 10 Ca -0.10 0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.73 2kby s ARG 10 Cb -0.16 -3.28 0.00 0.00 0.00 0.00 0.00 34.95 31.51 2kby s ARG 10 CO 0.01 0.57 0.00 0.41 0.00 0.00 0.00 175.30 176.29 2kby n GLY 11 N 2.41 -0.50 0.18 8.12 0.00 -1.26 -4.56 105.19 109.57 2kby n GLY 11 Ca -0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.71 2kby n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kby h ARG 12 N 0.00 0.18 -0.62 1.61 9.65 -1.98 -0.69 114.38 122.52 2kby h ARG 12 Ca 0.00 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.98 2kby h ARG 12 Cb 0.00 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.46 2kby h ARG 12 CO 0.00 0.12 0.19 1.49 2.80 0.00 0.00 179.97 184.57 2kby h GLU 13 N 0.18 0.33 -0.27 0.20 4.57 -1.99 0.34 114.58 117.94 2kby h GLU 13 Ca 0.21 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 2kby h GLU 13 Cb 0.28 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2kby h GLU 13 CO -0.30 0.22 -0.02 -0.97 -1.18 0.00 0.00 179.01 176.76 2kby h ASN 14 N 0.34 0.48 -0.02 1.04 -0.73 -1.65 -2.60 115.58 112.44 2kby h ASN 14 Ca 0.33 -0.33 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 2kby h ASN 14 Cb 0.46 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 2kby h ASN 14 CO -0.37 0.70 0.01 0.15 -0.37 0.00 0.00 177.43 177.55 2kby h PHE 15 N 0.26 0.03 -0.86 0.67 3.57 -0.36 -1.62 116.94 118.63 2kby h PHE 15 Ca 0.07 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.63 2kby h PHE 15 Cb 0.46 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 2kby h PHE 15 CO 0.04 0.23 0.56 0.93 -2.23 0.00 0.00 178.31 177.84 2kby h GLU 16 N -0.17 0.96 -0.25 1.11 4.39 -0.40 1.11 114.58 121.34 2kby h GLU 16 Ca 0.01 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 2kby h GLU 16 Cb 0.21 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2kby h GLU 16 CO -0.00 0.63 -0.12 0.82 -1.16 0.00 0.00 179.01 179.19 2kby h ILE 17 N 0.99 1.30 0.00 3.13 2.04 -1.34 -1.59 117.51 122.04 2kby h ILE 17 Ca 0.36 -1.19 -0.14 0.00 1.00 0.00 0.00 64.86 64.89 2kby h ILE 17 Cb 0.17 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2kby h ILE 17 CO -0.13 0.37 -0.68 0.25 0.00 0.00 0.00 178.15 177.97 2kby h LEU 18 N 0.24 0.00 -0.03 1.44 5.85 -0.81 -2.25 115.31 119.74 2kby h LEU 18 Ca 0.06 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 2kby h LEU 18 Cb 0.62 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.65 2kby h LEU 18 CO 0.04 0.68 -0.37 -0.03 -0.34 0.00 0.00 178.44 178.41 2kby h MET 19 N 0.00 0.31 0.00 1.25 4.05 0.13 0.66 114.93 121.33 2kby h MET 19 Ca -0.01 -0.29 -0.04 0.00 -0.28 0.00 0.00 59.70 59.09 2kby h MET 19 Cb 1.33 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.19 2kby h MET 19 CO 0.09 0.96 -0.18 -0.22 0.23 0.00 0.00 176.91 177.79 2kby h LYS 20 N -0.24 0.00 -0.03 0.39 3.11 -1.35 -1.85 116.57 116.61 2kby h LYS 20 Ca -0.04 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.64 2kby h LYS 20 Cb 1.07 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.31 2kby h LYS 20 CO 0.08 0.18 -0.63 1.25 -2.81 0.00 0.00 179.45 177.52 2kby h LEU 21 N 0.00 0.60 -1.30 5.20 5.85 -1.21 -2.49 115.31 121.96 2kby h LEU 21 Ca -0.00 -0.72 0.12 0.00 0.84 0.00 0.00 57.88 58.11 2kby h LEU 21 Cb 0.39 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2kby h LEU 21 CO 0.02 1.24 0.55 0.50 -0.34 0.00 0.00 178.44 180.42 2kby h LYS 22 N 0.02 0.70 -0.28 1.25 3.11 0.94 0.57 116.57 122.88 2kby h LYS 22 Ca -0.07 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.70 2kby h LYS 22 Cb 1.31 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.37 2kby h LYS 22 CO 0.12 0.47 0.07 1.49 -2.81 0.00 0.00 179.45 178.79 2kby h GLU 23 N 0.72 0.45 -0.16 1.90 4.81 -1.28 -1.19 114.58 119.84 2kby h GLU 23 Ca 0.41 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2kby h GLU 23 Cb 0.58 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2kby h GLU 23 CO -0.18 0.54 0.05 0.66 -0.73 0.00 0.00 179.01 179.35 2kby h SER 24 N 0.29 0.24 -0.36 1.04 4.64 -0.50 0.43 113.55 119.33 2kby h SER 24 Ca 0.09 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 2kby h SER 24 Cb 0.28 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2kby h SER 24 CO 0.00 0.38 0.07 -0.07 -0.87 0.00 0.00 176.83 176.34 2kby h LEU 25 N 0.08 0.56 -0.48 5.97 3.38 -1.09 -1.09 115.31 122.63 2kby h LEU 25 Ca 0.05 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 2kby h LEU 25 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2kby h LEU 25 CO -0.00 0.66 -0.50 -0.33 0.09 0.00 0.00 178.44 178.35 2kby h GLU 26 N 0.43 0.68 0.00 1.13 5.08 -1.21 -2.81 114.58 117.88 2kby h GLU 26 Ca 0.11 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2kby h GLU 26 Cb 0.33 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2kby h GLU 26 CO 0.00 1.02 0.00 -0.07 -1.00 0.00 0.00 179.01 178.96 2kby h LEU 27 N 0.53 0.00 -0.21 1.33 3.38 0.01 -2.40 115.31 117.95 2kby h LEU 27 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kby h LEU 27 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2kby h LEU 27 CO 0.10 0.00 0.00 0.80 0.09 0.00 0.00 178.44 179.43 2kby n MET 28 N -2.67 0.07 0.10 1.13 1.56 -0.43 -2.56 117.12 114.32 2kby n MET 28 Ca 0.01 0.29 0.12 0.00 -0.27 0.00 0.00 57.70 57.85 2kby n MET 28 Cb 0.27 -1.62 0.03 0.00 2.15 0.00 0.00 33.22 34.05 2kby n MET 28 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 2kby h GLU 29 N 0.00 0.00 -0.64 2.12 4.11 -1.56 -3.33 114.58 115.27 2kby h GLU 29 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kby h GLU 29 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2kby h GLU 29 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 179.01 180.55 2kby n LEU 30 N -2.58 3.74 -4.64 3.06 -0.00 -1.06 -4.86 117.00 110.66 2kby n LEU 30 Ca 0.01 -1.81 -0.37 0.00 -0.00 0.00 0.00 56.01 53.83 2kby n LEU 30 Cb 0.53 -0.43 -0.10 0.00 -0.00 0.00 0.00 43.42 43.42 2kby n LEU 30 CO 0.39 0.91 -0.16 0.54 -0.00 0.00 0.00 177.39 179.07 2kby s VAL 31 N -1.15 5.33 -0.16 1.47 0.11 -1.24 -5.02 120.40 119.74 2kby s VAL 31 Ca 0.46 0.21 -0.42 0.00 -2.93 0.00 0.00 61.98 59.30 2kby s VAL 31 Cb 0.24 -3.52 -0.20 0.00 -1.53 0.00 0.00 36.38 31.37 2kby s VAL 31 CO 0.32 0.31 1.26 -2.65 -3.33 0.00 0.00 175.10 171.01 2kby n PRO 32 N 4.55 0.04 -0.25 1.54 -0.02 -1.26 -4.79 135.00 134.80 2kby n PRO 32 Ca -0.14 0.01 0.06 0.00 -2.02 0.00 0.00 63.50 61.41 2kby n PRO 32 Cb 0.52 -1.52 0.18 0.00 -0.02 0.00 0.00 33.50 32.66 2kby n PRO 32 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2kby h GLN 33 N 3.73 0.25 -0.37 -0.52 5.75 -1.95 -0.20 115.11 121.80 2kby h GLN 33 Ca -0.49 -0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.11 2kby h GLN 33 Cb 1.41 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.89 2kby h GLN 33 CO 0.76 0.17 0.39 -1.35 -2.65 0.00 0.00 178.83 176.15 2kby h PRO 34 N 0.26 0.00 0.05 -2.39 0.11 -2.01 0.10 132.00 128.13 2kby h PRO 34 Ca 0.42 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.29 2kby h PRO 34 Cb 0.72 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 2kby h PRO 34 CO -0.52 0.00 -1.09 -0.07 -0.21 0.00 0.00 178.00 176.11 2kby h LEU 35 N 0.00 0.20 -0.18 2.35 3.38 -1.36 -2.80 115.31 116.89 2kby h LEU 35 Ca 0.18 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2kby h LEU 35 Cb 0.94 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2kby h LEU 35 CO -0.00 1.15 -0.13 0.58 0.09 0.00 0.00 178.44 180.13 2kby h VAL 36 N 0.04 1.32 -0.51 1.22 2.07 -0.93 -1.50 116.25 117.97 2kby h VAL 36 Ca -0.07 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.25 2kby h VAL 36 Cb 1.83 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 33.29 2kby h VAL 36 CO 0.16 0.37 0.30 0.44 0.02 0.00 0.00 177.57 178.86 2kby h ASP 37 N 0.08 0.48 -0.60 0.57 3.32 -1.55 -0.58 116.42 118.14 2kby h ASP 37 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2kby h ASP 37 Cb 0.63 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 2kby h ASP 37 CO 0.03 0.34 0.40 -1.28 -1.72 0.00 0.00 179.24 177.01 2kby h SER 38 N 0.60 0.70 -0.34 6.45 0.87 -1.39 -2.31 113.55 118.13 2kby h SER 38 Ca 0.21 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2kby h SER 38 Cb 0.03 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2kby h SER 38 CO -0.10 0.51 0.19 0.22 -0.53 0.00 0.00 176.83 177.13 2kby h TYR 39 N 0.82 0.46 -0.86 2.24 3.20 -0.85 -2.72 116.97 119.25 2kby h TYR 39 Ca 0.22 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.18 2kby h TYR 39 Cb -0.09 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 37.96 2kby h TYR 39 CO -0.03 0.35 0.51 0.00 -1.64 0.00 0.00 178.16 177.36 2kby h ARG 40 N 0.43 0.84 -0.23 1.82 3.08 -0.80 -0.12 114.38 119.40 2kby h ARG 40 Ca 0.12 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2kby h ARG 40 Cb 0.04 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2kby h ARG 40 CO -0.02 0.55 0.10 1.96 -1.07 0.00 0.00 179.97 181.50 2kby h GLN 41 N 0.86 0.22 0.00 0.04 4.20 -1.15 0.35 115.11 119.63 2kby h GLN 41 Ca 0.41 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.09 2kby h GLN 41 Cb 0.35 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 2kby h GLN 41 CO -0.24 0.14 -0.07 0.37 -0.67 0.00 0.00 178.83 178.36 2kby h GLN 42 N 0.22 0.00 0.10 1.46 5.75 -0.96 -1.72 115.11 119.96 2kby h GLN 42 Ca 0.09 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.33 2kby h GLN 42 Cb 0.04 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.59 2kby h GLN 42 CO -0.07 0.07 -1.16 0.37 -2.65 0.00 0.00 178.83 175.38 2kby h GLN 43 N 0.00 0.35 0.00 1.69 -0.00 0.16 -3.19 115.11 114.13 2kby h GLN 43 Ca -0.00 -0.51 -0.02 0.00 -0.00 0.00 0.00 58.65 58.12 2kby h GLN 43 Cb 0.14 0.18 -0.00 0.00 0.00 0.00 0.00 27.48 27.79 2kby h GLN 43 CO 0.01 1.21 -0.11 0.37 0.00 0.00 0.00 178.83 180.31 2kby h GLN 44 N 0.14 0.00 -0.76 1.69 5.75 0.51 -0.64 115.11 121.79 2kby h GLN 44 Ca -0.13 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.45 2kby h GLN 44 Cb 1.86 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 30.34 2kby h GLN 44 CO 0.20 0.11 0.43 1.25 -2.65 0.00 0.00 178.83 178.16 2kby h LEU 45 N 0.00 0.61 0.00 -2.39 5.85 -1.37 -3.40 115.31 114.61 2kby h LEU 45 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kby h LEU 45 Cb 0.48 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2kby h LEU 45 CO 0.01 0.37 0.00 0.18 -0.34 0.00 0.00 178.44 178.66 2kby n LEU 46 N -4.77 0.00 -3.53 2.25 4.77 -1.08 -5.02 117.00 109.62 2kby n LEU 46 Ca 0.12 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 2kby n LEU 46 Cb 0.24 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 2kby n LEU 46 CO 0.27 -0.43 0.12 1.67 -1.33 0.00 0.00 177.39 177.69 2kby n GLN 47 N -2.31 -6.02 0.00 3.23 0.00 -0.27 -5.12 117.38 106.89 2kby n GLN 47 Ca 0.00 0.74 0.00 0.00 -0.00 0.00 0.00 57.00 57.74 2kby n GLN 47 Cb 0.00 -5.67 0.00 0.00 0.00 0.00 0.00 30.24 24.57 2kby n GLN 47 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95