#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 -5.14 120.64 113.28 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 8.00 -1.26 -4.97 116.55 111.71 2kby n ASP 3 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 2kby n ASP 3 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 2kby n ASP 3 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2kby s THR 4 N 0.00 3.44 0.24 -3.53 2.01 -1.26 -5.04 115.64 111.50 2kby s THR 4 Ca 0.00 1.19 0.06 0.00 0.31 0.00 0.00 61.69 63.25 2kby s THR 4 Cb 0.00 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2kby s THR 4 CO 0.00 0.09 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.63 2kby s TYR 5 N -1.49 1.76 -0.14 4.92 2.02 -1.26 -5.14 117.35 118.02 2kby s TYR 5 Ca 0.56 -0.71 -0.00 0.00 -0.37 0.00 0.00 57.07 56.55 2kby s TYR 5 Cb -0.27 -0.95 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 2kby s TYR 5 CO 0.34 0.23 -0.13 0.71 -1.57 0.00 0.00 175.55 175.13 2kby s TYR 6 N -3.10 2.81 -0.31 2.71 2.02 -1.26 -5.09 117.35 115.14 2kby s TYR 6 Ca 0.26 -0.75 -0.04 0.00 -0.37 0.00 0.00 57.07 56.18 2kby s TYR 6 Cb 0.03 -1.86 0.04 0.00 -0.40 0.00 0.00 41.96 39.76 2kby s TYR 6 CO 0.09 -0.29 0.03 -1.17 -1.57 0.00 0.00 175.55 172.64 2kby s LEU 7 N 0.51 3.94 -0.39 -1.29 2.96 -1.26 -5.07 118.68 118.08 2kby s LEU 7 Ca -0.09 -1.14 -0.24 0.00 -0.22 0.00 0.00 54.13 52.44 2kby s LEU 7 Cb -0.16 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.78 2kby s LEU 7 CO 0.04 -0.26 0.82 -1.58 -1.32 0.00 0.00 176.35 174.05 2kby s GLN 8 N 1.33 3.69 -0.12 1.98 0.74 -1.26 -5.01 119.66 121.01 2kby s GLN 8 Ca -0.03 0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.69 2kby s GLN 8 Cb -0.19 -3.84 0.01 0.00 1.10 0.00 0.00 33.01 30.09 2kby s GLN 8 CO 0.00 -0.94 -0.21 0.08 -0.55 0.00 0.00 175.29 173.66 2kby s VAL 9 N 3.26 1.96 -0.08 1.34 1.01 -1.26 -5.12 120.40 121.51 2kby s VAL 9 Ca 0.33 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 2kby s VAL 9 Cb -0.12 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2kby s VAL 9 CO 0.19 0.53 0.25 -0.60 0.00 0.00 0.00 175.10 175.47 2kby s ARG 10 N 0.69 3.69 0.00 2.72 3.00 -1.26 -4.72 118.95 123.07 2kby s ARG 10 Ca -0.11 0.09 0.00 0.00 -1.00 0.00 0.00 55.73 54.71 2kby s ARG 10 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 34.95 31.57 2kby s ARG 10 CO 0.02 0.70 0.00 0.41 0.00 0.00 0.00 175.30 176.43 2kby n GLY 11 N 2.05 -0.98 0.16 8.12 0.00 -1.26 -4.52 105.19 108.75 2kby n GLY 11 Ca -0.17 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.08 -0.61 1.61 9.65 -1.98 -0.32 114.38 122.65 2kby h ARG 12 Ca 0.00 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.99 2kby h ARG 12 Cb 0.00 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.52 2kby h ARG 12 CO 0.00 -0.05 0.20 1.49 2.80 0.00 0.00 179.97 184.40 2kby h GLU 13 N -0.08 0.34 -0.33 0.20 4.81 -1.99 0.36 114.58 117.89 2kby h GLU 13 Ca 0.12 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2kby h GLU 13 Cb 0.26 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2kby h GLU 13 CO -0.27 0.23 0.06 -0.97 -0.73 0.00 0.00 179.01 177.32 2kby h ASN 14 N 0.35 0.51 -0.21 1.04 -0.73 -1.68 -2.55 115.58 112.31 2kby h ASN 14 Ca 0.32 -0.26 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 2kby h ASN 14 Cb 0.43 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 2kby h ASN 14 CO -0.35 0.64 0.00 0.15 -0.37 0.00 0.00 177.43 177.50 2kby h PHE 15 N 0.37 0.40 -0.88 0.67 3.57 -0.40 -2.50 116.94 118.17 2kby h PHE 15 Ca 0.10 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2kby h PHE 15 Cb 0.34 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 2kby h PHE 15 CO 0.02 0.55 0.57 0.93 -2.23 0.00 0.00 178.31 178.15 2kby h GLU 16 N 0.13 0.94 -0.25 1.11 5.08 -0.30 0.98 114.58 122.28 2kby h GLU 16 Ca 0.06 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2kby h GLU 16 Cb 0.39 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2kby h GLU 16 CO 0.01 0.62 -0.15 0.82 -1.00 0.00 0.00 179.01 179.32 2kby h ILE 17 N 0.97 1.30 -0.00 3.13 2.04 -1.35 -0.35 117.51 123.25 2kby h ILE 17 Ca 0.38 -1.25 -0.17 0.00 1.00 0.00 0.00 64.86 64.82 2kby h ILE 17 Cb 0.23 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2kby h ILE 17 CO -0.14 0.39 -0.79 -0.07 0.00 0.00 0.00 178.15 177.53 2kby h LEU 18 N 0.26 0.01 -0.14 1.44 3.38 -0.99 -2.20 115.31 117.08 2kby h LEU 18 Ca 0.05 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 2kby h LEU 18 Cb 0.66 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 2kby h LEU 18 CO 0.04 0.80 -0.88 -0.03 0.09 0.00 0.00 178.44 178.46 2kby h MET 19 N 0.01 0.68 0.00 1.13 4.05 0.10 0.46 114.93 121.36 2kby h MET 19 Ca -0.01 -0.63 -0.08 0.00 -0.28 0.00 0.00 59.70 58.70 2kby h MET 19 Cb 1.40 0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 32.34 2kby h MET 19 CO 0.10 1.23 -0.39 -0.22 0.23 0.00 0.00 176.91 177.86 2kby h LYS 20 N 0.43 0.00 0.00 0.39 3.11 -1.06 -2.48 116.57 116.96 2kby h LYS 20 Ca -0.08 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.58 2kby h LYS 20 Cb 1.52 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.76 2kby h LYS 20 CO 0.17 0.39 -0.72 1.25 -2.81 0.00 0.00 179.45 177.74 2kby h LEU 21 N 0.00 0.63 -1.02 5.20 5.85 -1.11 -2.68 115.31 122.18 2kby h LEU 21 Ca -0.00 -0.76 0.10 0.00 0.84 0.00 0.00 57.88 58.06 2kby h LEU 21 Cb 0.79 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 2kby h LEU 21 CO 0.05 1.30 0.64 0.50 -0.34 0.00 0.00 178.44 180.59 2kby h LYS 22 N 0.02 1.01 -0.30 1.25 3.64 0.12 0.28 116.57 122.59 2kby h LYS 22 Ca -0.09 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 2kby h LYS 22 Cb 1.42 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2kby h LYS 22 CO 0.14 0.67 0.04 1.49 -2.27 0.00 0.00 179.45 179.52 2kby h GLU 23 N 1.05 0.50 0.04 1.90 4.81 -1.48 -0.48 114.58 120.92 2kby h GLU 23 Ca 0.47 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2kby h GLU 23 Cb 0.39 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2kby h GLU 23 CO -0.23 0.61 -0.02 0.77 -0.73 0.00 0.00 179.01 179.41 2kby h SER 24 N 0.31 -0.04 -0.35 1.04 0.02 -0.66 0.11 113.55 113.98 2kby h SER 24 Ca 0.09 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2kby h SER 24 Cb 0.36 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2kby h SER 24 CO 0.01 0.07 0.15 -0.07 -1.14 0.00 0.00 176.83 175.84 2kby h LEU 25 N -0.15 0.48 -0.57 5.07 3.38 -0.54 -1.68 115.31 121.30 2kby h LEU 25 Ca -0.01 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2kby h LEU 25 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2kby h LEU 25 CO 0.01 0.51 -0.12 -0.33 0.09 0.00 0.00 178.44 178.59 2kby h GLU 26 N 0.42 1.02 0.00 1.13 5.08 -1.08 -2.48 114.58 118.68 2kby h GLU 26 Ca 0.12 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2kby h GLU 26 Cb 0.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kby h GLU 26 CO -0.01 1.07 0.00 -0.07 -1.00 0.00 0.00 179.01 179.00 2kby h LEU 27 N 0.90 0.00 -0.41 1.33 3.38 -0.72 -2.78 115.31 117.01 2kby h LEU 27 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kby h LEU 27 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2kby h LEU 27 CO 0.05 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.81 2kby n MET 28 N -2.84 0.05 0.08 1.13 2.81 -0.65 -0.53 117.12 117.17 2kby n MET 28 Ca 0.00 0.48 0.12 0.00 -1.81 0.00 0.00 57.70 56.49 2kby n MET 28 Cb 0.23 -1.64 0.07 0.00 -0.71 0.00 0.00 33.22 31.17 2kby n MET 28 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 2kby h GLU 29 N 0.00 0.00 -0.03 0.03 4.11 -1.67 -3.34 114.58 113.69 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 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kby h GLU 29 CO 0.00 0.00 -0.10 1.47 0.07 0.00 0.00 179.01 180.45 2kby n LEU 30 N -2.34 2.61 -4.65 3.06 -0.00 0.31 -4.85 117.00 111.14 2kby n LEU 30 Ca 0.02 -0.88 -0.37 0.00 -0.00 0.00 0.00 56.01 54.77 2kby n LEU 30 Cb 0.49 -0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.81 2kby n LEU 30 CO 0.38 0.44 -0.17 0.54 -0.00 0.00 0.00 177.39 178.59 2kby s VAL 31 N -2.11 5.35 -0.21 1.47 0.11 -1.17 -5.03 120.40 118.82 2kby s VAL 31 Ca 0.27 0.18 -0.42 0.00 -2.93 0.00 0.00 61.98 59.08 2kby s VAL 31 Cb 0.20 -3.51 -0.19 0.00 -1.53 0.00 0.00 36.38 31.35 2kby s VAL 31 CO 0.37 0.33 1.39 -2.65 -3.33 0.00 0.00 175.10 171.20 2kby n PRO 32 N 4.44 0.30 -0.11 1.54 -0.02 -1.26 -4.78 135.00 135.11 2kby n PRO 32 Ca -0.15 0.11 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 2kby n PRO 32 Cb 0.52 -1.65 0.01 0.00 -0.02 0.00 0.00 33.50 32.36 2kby n PRO 32 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2kby h GLN 33 N 4.51 -0.03 -0.16 -0.52 4.20 -1.94 -1.12 115.11 120.04 2kby h GLN 33 Ca -0.47 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.29 2kby h GLN 33 Cb 1.38 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 2kby h GLN 33 CO 0.83 -0.02 0.14 -1.00 -0.67 0.00 0.00 178.83 178.11 2kby h PRO 34 N -0.03 0.00 0.03 1.46 0.13 -2.00 -0.28 132.00 131.31 2kby h PRO 34 Ca 0.18 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.10 2kby h PRO 34 Cb 0.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 2kby h PRO 34 CO -0.41 0.00 -1.00 1.25 -0.23 0.00 0.00 178.00 177.61 2kby h LEU 35 N 0.00 0.14 -0.31 1.56 5.85 -1.58 -2.82 115.31 118.15 2kby h LEU 35 Ca 0.08 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 2kby h LEU 35 Cb 0.36 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2kby h LEU 35 CO -0.00 1.05 -0.23 0.58 -0.34 0.00 0.00 178.44 179.50 2kby h VAL 36 N 0.04 1.30 -1.00 1.05 2.07 -0.40 -2.71 116.25 116.60 2kby h VAL 36 Ca -0.04 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.15 2kby h VAL 36 Cb 1.71 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.93 2kby h VAL 36 CO 0.14 0.44 0.65 0.44 0.02 0.00 0.00 177.57 179.26 2kby h ASP 37 N 0.45 1.05 -0.65 0.57 3.32 -1.34 -1.06 116.42 118.77 2kby h ASP 37 Ca 0.06 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.13 2kby h ASP 37 Cb 0.78 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2kby h ASP 37 CO 0.06 0.69 0.42 -1.28 -1.72 0.00 0.00 179.24 177.41 2kby h SER 38 N 1.21 0.70 -0.48 6.45 0.87 -1.28 -2.05 113.55 118.97 2kby h SER 38 Ca 0.42 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2kby h SER 38 Cb 0.09 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2kby h SER 38 CO -0.15 0.50 0.29 0.22 -0.53 0.00 0.00 176.83 177.15 2kby h TYR 39 N 0.83 0.64 -0.78 2.24 3.20 -1.01 -2.37 116.97 119.72 2kby h TYR 39 Ca 0.25 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.22 2kby h TYR 39 Cb -0.04 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 37.95 2kby h TYR 39 CO -0.04 0.45 0.42 0.00 -1.64 0.00 0.00 178.16 177.35 2kby h ARG 40 N 0.64 0.68 -0.33 1.82 3.08 -0.68 0.14 114.38 119.73 2kby h ARG 40 Ca 0.17 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2kby h ARG 40 Cb -0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2kby h ARG 40 CO -0.03 0.45 0.18 0.37 -1.07 0.00 0.00 179.97 179.86 2kby h GLN 41 N 0.70 0.46 -0.95 0.04 4.15 -1.07 0.55 115.11 118.99 2kby h GLN 41 Ca 0.39 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.77 2kby h GLN 41 Cb 0.39 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 2kby h GLN 41 CO -0.27 0.39 0.63 0.37 -1.93 0.00 0.00 178.83 178.02 2kby h GLN 42 N 0.41 1.21 0.00 1.69 4.15 -0.72 -1.05 115.11 120.79 2kby h GLN 42 Ca 0.11 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 2kby h GLN 42 Cb 0.06 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 2kby h GLN 42 CO -0.02 0.80 -0.42 0.37 -1.93 0.00 0.00 178.83 177.64 2kby h GLN 43 N 1.25 0.00 0.00 1.69 4.15 -0.70 -3.10 115.11 118.39 2kby h GLN 43 Ca 0.36 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.76 2kby h GLN 43 Cb -0.07 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.61 2kby h GLN 43 CO -0.09 0.36 -0.10 0.37 -1.93 0.00 0.00 178.83 177.44 2kby h GLN 44 N 0.00 0.00 -0.57 1.69 5.75 0.14 -0.40 115.11 121.72 2kby h GLN 44 Ca -0.01 0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.63 2kby h GLN 44 Cb 1.29 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.81 2kby h GLN 44 CO 0.05 0.10 0.40 1.25 -2.65 0.00 0.00 178.83 177.97 2kby h LEU 45 N 0.00 0.13 0.00 -2.39 5.85 -1.32 -3.37 115.31 114.21 2kby h LEU 45 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kby h LEU 45 Cb 0.45 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2kby h LEU 45 CO 0.01 0.07 0.00 0.18 -0.34 0.00 0.00 178.44 178.37 2kby n LEU 46 N -4.42 0.28 -1.46 2.25 4.32 -0.94 -5.00 117.00 112.02 2kby n LEU 46 Ca 0.10 0.05 -0.18 0.00 -0.02 0.00 0.00 56.01 55.96 2kby n LEU 46 Cb 0.54 -0.07 -0.07 0.00 -1.62 0.00 0.00 43.42 42.20 2kby n LEU 46 CO 0.36 -0.57 -0.18 1.67 -1.22 0.00 0.00 177.39 177.44 2kby n GLN 47 N -2.78 -1.27 0.00 3.23 -0.06 -0.20 -5.15 117.38 111.16 2kby n GLN 47 Ca 0.00 1.10 0.00 0.00 -2.00 0.00 0.00 57.00 56.10 2kby n GLN 47 Cb 0.00 -5.39 0.00 0.00 -4.06 0.00 0.00 30.24 20.79 2kby n GLN 47 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75