#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 -0.67 0.28 -1.26 -5.13 120.64 113.86 2kby n GLU 2 Ca 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2kby n GLU 2 Cb 0.00 0.05 0.00 0.00 1.43 0.00 0.00 31.44 32.92 2kby n GLU 2 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2kby n ASP 3 N 0.00 0.00 -4.77 -1.84 5.75 -1.26 -4.99 116.55 109.44 2kby n ASP 3 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.37 2kby n ASP 3 Cb 0.40 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 2kby n ASP 3 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2kby s THR 4 N 0.53 3.23 0.28 2.12 2.01 -1.26 -5.04 115.64 117.52 2kby s THR 4 Ca 0.00 1.11 0.06 0.00 0.31 0.00 0.00 61.69 63.16 2kby s THR 4 Cb 0.00 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.80 2kby s THR 4 CO 0.00 0.16 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.75 2kby s TYR 5 N -1.33 1.93 -0.16 4.92 2.02 -1.26 -5.14 117.35 118.33 2kby s TYR 5 Ca 0.53 -0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2kby s TYR 5 Cb -0.31 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 2kby s TYR 5 CO 0.40 0.22 -0.12 0.71 -1.57 0.00 0.00 175.55 175.19 2kby s TYR 6 N -3.08 2.84 -0.32 2.71 2.02 -1.26 -5.08 117.35 115.17 2kby s TYR 6 Ca 0.30 -0.84 -0.04 0.00 -0.37 0.00 0.00 57.07 56.12 2kby s TYR 6 Cb 0.05 -1.92 0.05 0.00 -0.40 0.00 0.00 41.96 39.74 2kby s TYR 6 CO 0.12 -0.37 0.06 -1.17 -1.57 0.00 0.00 175.55 172.62 2kby s LEU 7 N 0.75 4.17 -0.41 -1.29 2.96 -1.26 -5.07 118.68 118.54 2kby s LEU 7 Ca -0.05 -1.24 -0.27 0.00 -0.22 0.00 0.00 54.13 52.35 2kby s LEU 7 Cb -0.15 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2kby s LEU 7 CO 0.01 -0.31 1.03 -1.58 -1.32 0.00 0.00 176.35 174.18 2kby s GLN 8 N 1.32 3.80 -0.14 1.98 0.74 -1.26 -5.00 119.66 121.10 2kby s GLN 8 Ca -0.03 0.61 0.01 0.00 0.05 0.00 0.00 55.36 56.01 2kby s GLN 8 Cb -0.20 -3.84 0.00 0.00 1.10 0.00 0.00 33.01 30.07 2kby s GLN 8 CO 0.01 -1.13 -0.19 0.08 -0.55 0.00 0.00 175.29 173.51 2kby s VAL 9 N 3.88 2.38 -0.07 1.34 1.01 -1.26 -5.11 120.40 122.57 2kby s VAL 9 Ca 0.43 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 2kby s VAL 9 Cb -0.10 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2kby s VAL 9 CO 0.24 0.53 0.27 -0.60 0.00 0.00 0.00 175.10 175.54 2kby s ARG 10 N 0.75 3.76 0.00 2.72 3.00 -1.26 -4.72 118.95 123.20 2kby s ARG 10 Ca -0.08 0.13 0.00 0.00 -1.00 0.00 0.00 55.73 54.79 2kby s ARG 10 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 34.95 31.56 2kby s ARG 10 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 175.30 176.38 2kby n GLY 11 N 2.10 -0.76 0.20 8.12 0.00 -1.26 -4.57 105.19 109.02 2kby n GLY 11 Ca -0.16 -1.09 -0.03 0.00 0.00 0.00 0.00 46.02 44.74 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 0.22 -0.55 1.61 9.65 -1.99 -1.06 114.38 122.27 2kby h ARG 12 Ca 0.00 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.96 2kby h ARG 12 Cb 0.00 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.46 2kby h ARG 12 CO 0.00 0.14 0.14 1.49 2.80 0.00 0.00 179.97 184.54 2kby h GLU 13 N 0.22 0.27 -0.24 0.20 4.57 -2.00 0.13 114.58 117.74 2kby h GLU 13 Ca 0.24 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2kby h GLU 13 Cb 0.33 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2kby h GLU 13 CO -0.33 0.18 0.06 -0.97 -1.18 0.00 0.00 179.01 176.78 2kby h ASN 14 N 0.28 0.36 -0.39 1.04 -0.73 -1.68 -2.15 115.58 112.30 2kby h ASN 14 Ca 0.28 -0.22 0.03 0.00 1.87 0.00 0.00 56.30 58.25 2kby h ASN 14 Cb 0.37 -0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.84 2kby h ASN 14 CO -0.34 0.49 0.20 0.15 -0.37 0.00 0.00 177.43 177.56 2kby h PHE 15 N 0.21 0.37 -0.24 0.67 3.57 -0.50 -0.64 116.94 120.38 2kby h PHE 15 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2kby h PHE 15 Cb 0.27 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2kby h PHE 15 CO 0.01 0.20 0.11 0.93 -2.23 0.00 0.00 178.31 177.32 2kby h GLU 16 N 0.41 0.36 -0.55 1.11 5.08 -0.71 0.87 114.58 121.15 2kby h GLU 16 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2kby h GLU 16 Cb 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2kby h GLU 16 CO -0.11 0.39 0.30 0.82 -1.00 0.00 0.00 179.01 179.41 2kby h ILE 17 N 0.25 1.18 -0.00 3.13 2.04 -1.20 -0.98 117.51 121.93 2kby h ILE 17 Ca 0.08 -0.45 -0.17 0.00 1.00 0.00 0.00 64.86 65.32 2kby h ILE 17 Cb 0.16 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2kby h ILE 17 CO -0.01 0.19 -0.81 0.25 0.00 0.00 0.00 178.15 177.77 2kby h LEU 18 N 0.73 0.06 -0.01 1.44 5.85 -0.98 -2.33 115.31 120.08 2kby h LEU 18 Ca 0.19 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2kby h LEU 18 Cb 0.04 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 2kby h LEU 18 CO -0.03 0.85 -0.01 -0.03 -0.34 0.00 0.00 178.44 178.88 2kby h MET 19 N 0.03 0.02 -0.67 1.25 4.05 0.10 0.75 114.93 120.45 2kby h MET 19 Ca -0.02 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 2kby h MET 19 Cb 1.43 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.19 2kby h MET 19 CO 0.11 0.50 0.45 -0.22 0.23 0.00 0.00 176.91 177.98 2kby h LYS 20 N -0.47 0.75 -0.26 0.39 3.11 -1.27 -1.74 116.57 117.09 2kby h LYS 20 Ca 0.00 -0.05 -0.18 0.00 -2.81 0.00 0.00 60.65 57.62 2kby h LYS 20 Cb 0.50 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2kby h LYS 20 CO 0.00 0.50 -0.54 1.25 -2.81 0.00 0.00 179.45 177.85 2kby h LEU 21 N 0.77 0.93 -1.26 5.20 5.85 -1.22 -2.38 115.31 123.21 2kby h LEU 21 Ca 0.28 -0.55 0.09 0.00 0.84 0.00 0.00 57.88 58.54 2kby h LEU 21 Cb 0.12 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2kby h LEU 21 CO -0.08 1.30 0.55 0.50 -0.34 0.00 0.00 178.44 180.37 2kby h LYS 22 N 0.59 0.82 -0.36 1.25 3.11 0.14 -0.26 116.57 121.85 2kby h LYS 22 Ca 0.01 -0.05 -0.07 0.00 -2.81 0.00 0.00 60.65 57.73 2kby h LYS 22 Cb 1.15 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 32.19 2kby h LYS 22 CO 0.12 0.54 -0.04 1.49 -2.81 0.00 0.00 179.45 178.75 2kby h GLU 23 N 0.84 0.66 -0.07 1.90 4.81 -1.20 -1.26 114.58 120.26 2kby h GLU 23 Ca 0.39 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2kby h GLU 23 Cb 0.38 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2kby h GLU 23 CO -0.15 0.80 0.03 0.66 -0.73 0.00 0.00 179.01 179.61 2kby h SER 24 N 0.47 0.10 -0.39 1.04 4.64 -0.61 0.16 113.55 118.96 2kby h SER 24 Ca 0.10 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 2kby h SER 24 Cb 0.53 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2kby h SER 24 CO 0.03 0.22 0.16 -0.07 -0.87 0.00 0.00 176.83 176.30 2kby h LEU 25 N -0.03 0.54 -0.43 5.97 3.38 -1.15 -0.68 115.31 122.90 2kby h LEU 25 Ca 0.02 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2kby h LEU 25 Cb 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2kby h LEU 25 CO -0.00 0.55 0.06 -0.33 0.09 0.00 0.00 178.44 178.81 2kby h GLU 26 N 0.48 0.72 -0.11 1.13 5.08 -1.18 -2.89 114.58 117.82 2kby h GLU 26 Ca 0.13 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2kby h GLU 26 Cb 0.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2kby h GLU 26 CO -0.01 0.76 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.47 2kby h LEU 27 N 0.58 0.17 -1.16 1.33 3.38 -0.56 -2.62 115.31 116.44 2kby h LEU 27 Ca 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kby h LEU 27 Cb 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2kby h LEU 27 CO 0.01 0.41 0.13 0.80 0.09 0.00 0.00 178.44 179.88 2kby n MET 28 N -4.21 0.11 0.10 1.13 1.56 -0.27 -0.13 117.12 115.42 2kby n MET 28 Ca -0.01 0.60 0.10 0.00 -0.27 0.00 0.00 57.70 58.12 2kby n MET 28 Cb 0.32 -2.01 -0.00 0.00 2.15 0.00 0.00 33.22 33.68 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 -0.24 2.12 4.11 -1.60 -3.30 114.58 115.66 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 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2kby h GLU 29 CO 0.00 0.04 0.00 1.47 0.07 0.00 0.00 179.01 180.59 2kby n LEU 30 N -2.73 2.17 -4.64 3.06 -0.00 0.82 -4.81 117.00 110.85 2kby n LEU 30 Ca -0.01 -0.93 -0.37 0.00 -0.00 0.00 0.00 56.01 54.70 2kby n LEU 30 Cb 0.59 -0.16 -0.09 0.00 -0.00 0.00 0.00 43.42 43.76 2kby n LEU 30 CO 0.40 0.47 -0.11 -0.69 -0.00 0.00 0.00 177.39 177.45 2kby s VAL 31 N -1.69 5.31 -0.14 1.47 1.01 -1.16 -5.02 120.40 120.18 2kby s VAL 31 Ca 0.33 0.29 -0.42 0.00 0.00 0.00 0.00 61.98 62.19 2kby s VAL 31 Cb 0.18 -3.56 -0.20 0.00 0.00 0.00 0.00 36.38 32.81 2kby s VAL 31 CO 0.27 0.29 1.25 -2.65 0.00 0.00 0.00 175.10 174.26 2kby n PRO 32 N 4.57 0.09 -0.12 2.72 -0.02 -1.26 -4.76 135.00 136.22 2kby n PRO 32 Ca -0.13 0.03 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 2kby n PRO 32 Cb 0.52 -1.55 0.01 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.10 -0.52 -0.52 5.75 -1.94 -1.00 115.11 120.51 2kby h GLN 33 Ca -0.49 0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.17 2kby h GLN 33 Cb 1.41 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.96 2kby h GLN 33 CO 0.75 -0.07 0.39 -1.00 -2.65 0.00 0.00 178.83 176.25 2kby h PRO 34 N -0.11 0.00 0.03 -2.39 0.13 -2.00 0.19 132.00 127.86 2kby h PRO 34 Ca 0.20 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.11 2kby h PRO 34 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2kby h PRO 34 CO -0.48 0.00 -0.99 1.25 -0.23 0.00 0.00 178.00 177.55 2kby h LEU 35 N 0.00 0.26 -0.31 1.56 5.85 -1.54 -2.85 115.31 118.29 2kby h LEU 35 Ca 0.25 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 2kby h LEU 35 Cb 1.02 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 2kby h LEU 35 CO -0.00 1.10 -0.51 0.58 -0.34 0.00 0.00 178.44 179.27 2kby h VAL 36 N 0.09 1.27 -0.56 1.05 2.07 -0.51 -2.66 116.25 117.00 2kby h VAL 36 Ca -0.06 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 65.79 2kby h VAL 36 Cb 1.67 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 2kby h VAL 36 CO 0.15 0.55 0.34 0.44 0.02 0.00 0.00 177.57 179.08 2kby h ASP 37 N 0.68 0.56 -0.60 0.57 3.32 -1.23 -0.39 116.42 119.33 2kby h ASP 37 Ca 0.02 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.09 2kby h ASP 37 Cb 1.12 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 2kby h ASP 37 CO 0.12 0.40 0.38 -1.28 -1.72 0.00 0.00 179.24 177.14 2kby h SER 38 N 0.68 0.64 -0.44 6.45 0.87 -1.43 -2.07 113.55 118.25 2kby h SER 38 Ca 0.22 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2kby h SER 38 Cb 0.01 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2kby h SER 38 CO -0.09 0.46 0.27 0.22 -0.53 0.00 0.00 176.83 177.15 2kby h TYR 39 N 0.77 0.58 -0.69 2.24 3.20 -1.06 -2.19 116.97 119.83 2kby h TYR 39 Ca 0.23 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.22 2kby h TYR 39 Cb -0.03 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 2kby h TYR 39 CO -0.04 0.40 0.46 0.00 -1.64 0.00 0.00 178.16 177.34 2kby h ARG 40 N 0.59 0.45 -0.07 1.82 3.08 -0.57 -0.21 114.38 119.47 2kby h ARG 40 Ca 0.16 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2kby h ARG 40 Cb -0.01 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2kby h ARG 40 CO -0.03 0.30 0.02 0.37 -1.07 0.00 0.00 179.97 179.56 2kby h GLN 41 N 0.46 0.12 0.00 0.04 5.75 -0.76 0.55 115.11 121.27 2kby h GLN 41 Ca 0.33 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.80 2kby h GLN 41 Cb 0.64 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 2kby h GLN 41 CO -0.10 0.27 -0.01 0.37 -2.65 0.00 0.00 178.83 176.71 2kby h GLN 42 N -0.06 0.00 0.02 1.69 5.75 -0.79 -2.15 115.11 119.56 2kby h GLN 42 Ca 0.02 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2kby h GLN 42 Cb 0.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.76 2kby h GLN 42 CO -0.00 0.01 -0.16 0.37 -2.65 0.00 0.00 178.83 176.40 2kby h GLN 43 N 0.00 0.07 -0.04 1.69 4.15 -0.53 -3.23 115.11 117.23 2kby h GLN 43 Ca -0.00 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.33 2kby h GLN 43 Cb 0.03 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 2kby h GLN 43 CO 0.00 0.98 0.13 1.96 -1.93 0.00 0.00 178.83 179.97 2kby h GLN 44 N -0.78 0.00 -0.41 1.69 7.50 -0.38 -2.03 115.11 120.70 2kby h GLN 44 Ca -0.02 0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.19 2kby h GLN 44 Cb 1.05 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.52 2kby h GLN 44 CO 0.03 0.00 0.08 1.25 -1.50 0.00 0.00 178.83 178.69 2kby h LEU 45 N 0.00 0.00 0.00 1.46 5.85 -1.42 -3.42 115.31 117.78 2kby h LEU 45 Ca 0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2kby h LEU 45 Cb 0.29 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2kby h LEU 45 CO -0.00 0.04 0.00 0.18 -0.34 0.00 0.00 178.44 178.32 2kby n LEU 46 N -5.10 0.00 -0.81 2.25 4.77 -0.79 -4.98 117.00 112.34 2kby n LEU 46 Ca 0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 2kby n LEU 46 Cb 0.19 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2kby n LEU 46 CO 0.23 -0.18 -0.10 1.67 -1.33 0.00 0.00 177.39 177.67 2kby n GLN 47 N -1.56 -1.60 0.00 3.23 0.00 -1.02 -5.12 117.38 111.31 2kby n GLN 47 Ca 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 57.00 57.86 2kby n GLN 47 Cb 0.00 -5.22 0.00 0.00 0.00 0.00 0.00 30.24 25.02 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60