#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 8.00 -1.26 -4.97 116.55 111.72 2kby n ASP 3 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 2kby n ASP 3 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 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 3.34 0.29 -3.53 2.01 -1.26 -5.04 115.64 111.45 2kby s THR 4 Ca 0.00 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.24 2kby s THR 4 Cb 0.00 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 2kby s THR 4 CO 0.00 0.16 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.75 2kby s TYR 5 N -1.37 1.98 -0.15 4.92 2.02 -1.26 -5.14 117.35 118.35 2kby s TYR 5 Ca 0.53 -0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2kby s TYR 5 Cb -0.30 -1.18 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 2kby s TYR 5 CO 0.38 0.23 -0.12 0.71 -1.57 0.00 0.00 175.55 175.18 2kby s TYR 6 N -3.06 2.83 -0.31 2.71 2.02 -1.26 -5.09 117.35 115.20 2kby s TYR 6 Ca 0.31 -0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 56.25 2kby s TYR 6 Cb 0.05 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.77 2kby s TYR 6 CO 0.13 -0.29 0.01 -1.17 -1.57 0.00 0.00 175.55 172.66 2kby s LEU 7 N 0.57 3.96 -0.37 -1.29 2.96 -1.26 -5.07 118.68 118.17 2kby s LEU 7 Ca -0.08 -1.27 -0.27 0.00 -0.22 0.00 0.00 54.13 52.29 2kby s LEU 7 Cb -0.16 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.82 2kby s LEU 7 CO 0.03 -0.27 1.01 -1.58 -1.32 0.00 0.00 176.35 174.22 2kby s GLN 8 N 1.27 3.89 -0.12 1.98 0.74 -1.26 -5.00 119.66 121.15 2kby s GLN 8 Ca -0.05 0.73 0.03 0.00 0.05 0.00 0.00 55.36 56.12 2kby s GLN 8 Cb -0.20 -3.80 0.01 0.00 1.10 0.00 0.00 33.01 30.12 2kby s GLN 8 CO -0.01 -1.00 -0.21 0.08 -0.55 0.00 0.00 175.29 173.60 2kby s VAL 9 N 3.69 1.96 -0.10 1.34 1.01 -1.26 -5.12 120.40 121.93 2kby s VAL 9 Ca 0.42 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 2kby s VAL 9 Cb -0.11 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2kby s VAL 9 CO 0.20 0.53 0.25 -0.60 0.00 0.00 0.00 175.10 175.48 2kby s ARG 10 N 0.72 3.81 0.00 2.72 3.00 -1.26 -4.69 118.95 123.24 2kby s ARG 10 Ca -0.10 0.08 0.00 0.00 -1.00 0.00 0.00 55.73 54.71 2kby s ARG 10 Cb -0.16 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.53 2kby s ARG 10 CO 0.01 0.61 0.00 0.41 0.00 0.00 0.00 175.30 176.33 2kby n GLY 11 N 2.33 -0.15 0.16 8.12 0.00 -1.26 -4.55 105.19 109.83 2kby n GLY 11 Ca -0.16 -1.15 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.04 -0.71 1.61 9.65 -1.99 0.61 114.38 123.51 2kby h ARG 12 Ca 0.00 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.98 2kby h ARG 12 Cb 0.00 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.51 2kby h ARG 12 CO 0.00 -0.02 0.35 1.49 2.80 0.00 0.00 179.97 184.58 2kby h GLU 13 N -0.04 0.57 -0.14 0.20 4.81 -2.00 0.41 114.58 118.39 2kby h GLU 13 Ca 0.15 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2kby h GLU 13 Cb 0.26 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2kby h GLU 13 CO -0.33 0.37 0.04 -0.97 -0.73 0.00 0.00 179.01 177.40 2kby h ASN 14 N 0.58 0.22 -0.46 1.04 -0.73 -1.62 -2.45 115.58 112.15 2kby h ASN 14 Ca 0.36 -0.22 0.01 0.00 1.87 0.00 0.00 56.30 58.31 2kby h ASN 14 Cb 0.40 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 2kby h ASN 14 CO -0.28 0.38 0.30 0.15 -0.37 0.00 0.00 177.43 177.61 2kby h PHE 15 N 0.04 0.56 -0.47 0.67 3.57 -0.28 -2.47 116.94 118.56 2kby h PHE 15 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2kby h PHE 15 Cb 0.25 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2kby h PHE 15 CO 0.01 0.34 0.24 0.93 -2.23 0.00 0.00 178.31 177.59 2kby h GLU 16 N 0.60 0.68 -0.45 1.11 4.39 -0.90 0.49 114.58 120.49 2kby h GLU 16 Ca 0.18 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2kby h GLU 16 Cb -0.04 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2kby h GLU 16 CO -0.06 0.56 0.25 0.82 -1.16 0.00 0.00 179.01 179.43 2kby h ILE 17 N 0.62 1.16 -0.13 3.13 2.04 -1.28 -1.42 117.51 121.64 2kby h ILE 17 Ca 0.16 -0.40 -0.19 0.00 1.00 0.00 0.00 64.86 65.43 2kby h ILE 17 Cb 0.10 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2kby h ILE 17 CO -0.02 0.17 -0.72 -0.07 0.00 0.00 0.00 178.15 177.51 2kby h LEU 18 N 0.59 0.68 -0.01 1.44 3.38 -1.31 -2.54 115.31 117.55 2kby h LEU 18 Ca 0.16 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2kby h LEU 18 Cb 0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2kby h LEU 18 CO -0.03 1.19 0.01 -0.03 0.09 0.00 0.00 178.44 179.67 2kby h MET 19 N 0.41 0.01 -0.51 1.13 4.05 0.23 0.70 114.93 120.94 2kby h MET 19 Ca -0.03 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2kby h MET 19 Cb 1.31 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.08 2kby h MET 19 CO 0.13 0.06 0.34 -0.22 0.23 0.00 0.00 176.91 177.45 2kby h LYS 20 N -0.04 0.63 -0.25 0.39 1.63 -1.32 -1.72 116.57 115.89 2kby h LYS 20 Ca 0.00 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.59 2kby h LYS 20 Cb 0.05 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 2kby h LYS 20 CO -0.00 0.42 -0.56 1.25 -3.45 0.00 0.00 179.45 177.11 2kby h LEU 21 N 0.65 0.86 -1.12 5.20 5.85 -0.86 -1.29 115.31 124.59 2kby h LEU 21 Ca 0.19 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2kby h LEU 21 Cb -0.01 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 2kby h LEU 21 CO -0.05 1.24 0.59 0.50 -0.34 0.00 0.00 178.44 180.39 2kby h LYS 22 N 0.59 1.16 -0.28 1.25 3.11 0.12 0.23 116.57 122.74 2kby h LYS 22 Ca 0.01 -0.07 -0.06 0.00 -2.81 0.00 0.00 60.65 57.72 2kby h LYS 22 Cb 1.15 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 2kby h LYS 22 CO 0.12 0.77 -0.08 1.49 -2.81 0.00 0.00 179.45 178.94 2kby h GLU 23 N 1.19 0.55 -0.14 1.90 4.81 -1.19 -0.19 114.58 121.50 2kby h GLU 23 Ca 0.34 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2kby h GLU 23 Cb -0.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2kby h GLU 23 CO -0.08 0.76 0.06 0.66 -0.73 0.00 0.00 179.01 179.68 2kby h SER 24 N 0.30 0.20 -0.29 1.04 4.64 -0.32 0.22 113.55 119.33 2kby h SER 24 Ca 0.07 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2kby h SER 24 Cb 0.56 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2kby h SER 24 CO 0.03 0.29 0.08 -0.07 -0.87 0.00 0.00 176.83 176.29 2kby h LEU 25 N 0.09 0.42 -0.31 5.97 3.38 -0.61 -2.01 115.31 122.24 2kby h LEU 25 Ca 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2kby h LEU 25 Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2kby h LEU 25 CO -0.00 0.53 0.04 -0.33 0.09 0.00 0.00 178.44 178.76 2kby h GLU 26 N 0.30 0.53 0.00 1.13 5.08 -1.00 -2.67 114.58 117.94 2kby h GLU 26 Ca 0.09 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2kby h GLU 26 Cb 0.26 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2kby h GLU 26 CO -0.00 0.63 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.46 2kby h LEU 27 N 0.35 0.00 -0.90 1.33 3.38 -0.94 -2.50 115.31 116.03 2kby h LEU 27 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kby h LEU 27 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kby h LEU 27 CO 0.01 0.11 0.04 0.80 0.09 0.00 0.00 178.44 179.49 2kby n MET 28 N -3.84 0.09 0.06 1.13 1.56 -0.76 0.21 117.12 115.58 2kby n MET 28 Ca -0.02 0.57 0.12 0.00 -0.27 0.00 0.00 57.70 58.10 2kby n MET 28 Cb 0.21 -1.83 0.13 0.00 2.15 0.00 0.00 33.22 33.88 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 -0.02 2.12 4.11 -1.60 -3.32 114.58 115.87 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 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2kby h GLU 29 CO 0.00 0.00 -0.17 1.47 0.07 0.00 0.00 179.01 180.38 2kby n LEU 30 N -2.18 2.45 -4.65 3.06 -0.00 0.13 -4.86 117.00 110.95 2kby n LEU 30 Ca 0.03 -0.84 -0.38 0.00 -0.00 0.00 0.00 56.01 54.81 2kby n LEU 30 Cb 0.45 -0.01 -0.08 0.00 -0.00 0.00 0.00 43.42 43.79 2kby n LEU 30 CO 0.37 0.42 0.06 -0.69 -0.00 0.00 0.00 177.39 177.56 2kby s VAL 31 N -2.18 5.21 -0.12 1.47 1.01 -1.12 -5.01 120.40 119.65 2kby s VAL 31 Ca 0.25 0.61 -0.41 0.00 0.00 0.00 0.00 61.98 62.43 2kby s VAL 31 Cb 0.19 -3.70 -0.19 0.00 0.00 0.00 0.00 36.38 32.68 2kby s VAL 31 CO 0.40 0.23 1.26 -2.65 0.00 0.00 0.00 175.10 174.34 2kby n PRO 32 N 4.72 0.18 -0.18 2.72 -0.02 -1.26 -4.76 135.00 136.39 2kby n PRO 32 Ca -0.09 0.07 -0.01 0.00 -2.02 0.00 0.00 63.50 61.45 2kby n PRO 32 Cb 0.51 -1.59 0.08 0.00 -0.02 0.00 0.00 33.50 32.48 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 3.84 0.15 -0.12 -0.52 4.15 -1.94 -1.32 115.11 119.35 2kby h GLN 33 Ca -0.49 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 58.94 2kby h GLN 33 Cb 1.40 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 2kby h GLN 33 CO 0.76 0.10 0.08 -1.00 -1.93 0.00 0.00 178.83 176.84 2kby h PRO 34 N 0.15 0.10 0.03 -2.39 0.13 -2.00 -0.73 132.00 127.29 2kby h PRO 34 Ca 0.29 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 65.19 2kby h PRO 34 Cb 0.44 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2kby h PRO 34 CO -0.44 0.06 -0.99 1.25 -0.23 0.00 0.00 178.00 177.65 2kby h LEU 35 N 0.10 0.31 -0.37 1.56 5.85 -1.62 -2.82 115.31 118.33 2kby h LEU 35 Ca 0.05 -0.28 -0.18 0.00 0.84 0.00 0.00 57.88 58.32 2kby h LEU 35 Cb 0.08 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2kby h LEU 35 CO -0.01 1.12 -0.52 0.58 -0.34 0.00 0.00 178.44 179.28 2kby h VAL 36 N 0.11 1.28 -0.64 1.05 2.07 -0.66 -2.71 116.25 116.75 2kby h VAL 36 Ca -0.07 -1.71 0.04 0.00 0.82 0.00 0.00 66.70 65.78 2kby h VAL 36 Cb 1.65 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 2kby h VAL 36 CO 0.15 0.56 0.38 -0.78 0.02 0.00 0.00 177.57 177.90 2kby h ASP 37 N 0.64 0.61 -0.65 0.57 1.82 -1.15 0.49 116.42 118.75 2kby h ASP 37 Ca 0.02 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2kby h ASP 37 Cb 1.11 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 40.97 2kby h ASP 37 CO 0.11 0.42 0.42 -1.28 -1.61 0.00 0.00 179.24 177.30 2kby h SER 38 N 0.74 0.71 -0.34 2.28 0.87 -1.38 -1.47 113.55 114.95 2kby h SER 38 Ca 0.26 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2kby h SER 38 Cb 0.06 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2kby h SER 38 CO -0.12 0.50 0.18 0.22 -0.53 0.00 0.00 176.83 177.08 2kby h TYR 39 N 0.84 0.48 -0.56 2.24 3.20 -1.05 -2.03 116.97 120.08 2kby h TYR 39 Ca 0.25 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.21 2kby h TYR 39 Cb -0.04 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2kby h TYR 39 CO -0.04 0.39 0.38 0.00 -1.64 0.00 0.00 178.16 177.26 2kby h ARG 40 N 0.42 0.29 -0.06 1.82 3.08 -0.42 0.14 114.38 119.65 2kby h ARG 40 Ca 0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2kby h ARG 40 Cb 0.08 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2kby h ARG 40 CO -0.02 0.19 -0.02 0.37 -1.07 0.00 0.00 179.97 179.43 2kby h GLN 41 N 0.30 0.12 -0.07 0.04 4.15 -0.65 0.62 115.11 119.61 2kby h GLN 41 Ca 0.26 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.64 2kby h GLN 41 Cb 0.64 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 2kby h GLN 41 CO -0.06 0.46 0.04 0.37 -1.93 0.00 0.00 178.83 177.72 2kby h GLN 42 N -0.24 0.06 0.00 1.69 4.15 -0.42 -0.21 115.11 120.14 2kby h GLN 42 Ca 0.01 -0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.22 2kby h GLN 42 Cb 0.42 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2kby h GLN 42 CO 0.01 0.04 -1.16 0.37 -1.93 0.00 0.00 178.83 176.16 2kby h GLN 43 N 0.07 0.00 0.00 1.69 4.15 -0.61 -3.26 115.11 117.14 2kby h GLN 43 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2kby h GLN 43 Cb 0.02 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2kby h GLN 43 CO -0.00 0.72 -0.05 0.37 -1.93 0.00 0.00 178.83 177.94 2kby h GLN 44 N 0.00 0.00 -0.45 1.69 5.75 0.21 -2.99 115.11 119.32 2kby h GLN 44 Ca -0.10 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.48 2kby h GLN 44 Cb 1.76 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 30.25 2kby h GLN 44 CO 0.10 0.05 0.06 1.25 -2.65 0.00 0.00 178.83 177.64 2kby h LEU 45 N 0.00 -0.06 -7.00 -2.39 5.85 -1.44 -3.43 115.31 106.83 2kby h LEU 45 Ca -0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2kby h LEU 45 Cb 0.39 0.13 -0.23 0.00 0.37 0.00 0.00 40.66 41.33 2kby h LEU 45 CO 0.01 0.00 0.14 -1.48 -0.34 0.00 0.00 178.44 176.77 2kby s LEU 46 N -10.47 -0.80 0.00 2.25 0.05 -1.13 -5.01 118.68 103.57 2kby s LEU 46 Ca -0.13 1.31 0.28 0.00 0.05 0.00 0.00 54.13 55.64 2kby s LEU 46 Cb 0.15 2.22 1.06 0.00 -2.05 0.00 0.00 46.19 47.56 2kby s LEU 46 CO 0.72 -0.21 1.75 0.00 -0.55 0.00 0.00 176.35 178.06 2kby n GLN 47 N 3.89 1.03 0.00 1.48 3.00 -1.26 -4.90 117.38 120.62 2kby n GLN 47 Ca -0.19 -0.51 0.09 0.00 -0.01 0.00 0.00 57.00 56.38 2kby n GLN 47 Cb 0.58 -1.49 0.51 0.00 0.00 0.00 0.00 30.24 29.84 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60