#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 0.81 0.00 -1.24 0.28 -1.26 -4.73 120.64 114.50 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 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.49 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 0.13 0.00 -4.77 -1.84 8.00 -1.26 -4.96 116.55 111.86 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 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 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 3.35 0.29 -3.53 2.01 -1.26 -5.04 115.64 111.45 2kby s THR 4 Ca 0.00 1.17 0.06 0.00 0.31 0.00 0.00 61.69 63.23 2kby s THR 4 Cb 0.00 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 2kby s THR 4 CO 0.00 0.14 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.72 2kby s TYR 5 N -1.40 1.95 -0.15 4.92 2.02 -1.26 -5.12 117.35 118.31 2kby s TYR 5 Ca 0.54 -0.75 -0.00 0.00 -0.37 0.00 0.00 57.07 56.49 2kby s TYR 5 Cb -0.29 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 2kby s TYR 5 CO 0.37 0.23 -0.13 0.71 -1.57 0.00 0.00 175.55 175.16 2kby s TYR 6 N -3.06 2.81 -0.31 2.71 2.02 -1.26 -5.09 117.35 115.17 2kby s TYR 6 Ca 0.31 -0.83 -0.03 0.00 -0.37 0.00 0.00 57.07 56.15 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 0.12 -0.35 0.03 -1.17 -1.57 0.00 0.00 175.55 172.62 2kby s LEU 7 N 0.64 4.05 -0.38 -1.29 2.96 -1.26 -5.07 118.68 118.33 2kby s LEU 7 Ca -0.07 -1.26 -0.27 0.00 -0.22 0.00 0.00 54.13 52.31 2kby s LEU 7 Cb -0.16 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.80 2kby s LEU 7 CO 0.03 -0.29 1.00 -1.58 -1.32 0.00 0.00 176.35 174.19 2kby s GLN 8 N 1.29 3.86 -0.14 1.98 0.74 -1.26 -5.00 119.66 121.12 2kby s GLN 8 Ca -0.04 0.68 0.02 0.00 0.05 0.00 0.00 55.36 56.06 2kby s GLN 8 Cb -0.20 -3.81 0.01 0.00 1.10 0.00 0.00 33.01 30.11 2kby s GLN 8 CO -0.00 -1.03 -0.19 0.08 -0.55 0.00 0.00 175.29 173.59 2kby s VAL 9 N 3.72 2.29 -0.09 1.34 1.01 -1.26 -5.11 120.40 122.30 2kby s VAL 9 Ca 0.42 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 2kby s VAL 9 Cb -0.11 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2kby s VAL 9 CO 0.21 0.54 0.27 -0.60 0.00 0.00 0.00 175.10 175.51 2kby s ARG 10 N 0.81 3.81 0.00 2.72 3.00 -1.26 -4.71 118.95 123.31 2kby s ARG 10 Ca -0.07 0.12 0.00 0.00 -1.00 0.00 0.00 55.73 54.78 2kby s ARG 10 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.54 2kby s ARG 10 CO -0.01 0.62 0.00 0.41 0.00 0.00 0.00 175.30 176.32 2kby n GLY 11 N 2.26 -0.43 0.16 8.12 0.00 -1.26 -4.58 105.19 109.45 2kby n GLY 11 Ca -0.16 -1.13 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 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 0.07 -0.52 1.61 9.65 -1.99 -0.86 114.38 122.35 2kby h ARG 12 Ca 0.00 -0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.96 2kby h ARG 12 Cb 0.00 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.49 2kby h ARG 12 CO 0.00 0.05 0.12 1.49 2.80 0.00 0.00 179.97 184.42 2kby h GLU 13 N 0.07 0.25 -0.31 0.20 4.81 -2.00 0.29 114.58 117.89 2kby h GLU 13 Ca 0.19 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 2kby h GLU 13 Cb 0.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2kby h GLU 13 CO -0.34 0.16 0.01 -0.91 -0.73 0.00 0.00 179.01 177.21 2kby h ASN 14 N 0.26 0.53 -0.56 1.04 2.35 -1.71 -2.45 115.58 115.04 2kby h ASN 14 Ca 0.26 -0.30 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2kby h ASN 14 Cb 0.35 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 2kby h ASN 14 CO -0.33 0.70 0.28 0.15 -1.65 0.00 0.00 177.43 176.58 2kby h PHE 15 N 0.35 0.52 -0.42 1.19 3.57 -0.50 -1.33 116.94 120.31 2kby h PHE 15 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2kby h PHE 15 Cb 0.42 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2kby h PHE 15 CO 0.03 0.24 0.17 0.93 -2.23 0.00 0.00 178.31 177.45 2kby h GLU 16 N 0.54 0.63 -0.46 1.11 5.08 -0.88 0.56 114.58 121.16 2kby h GLU 16 Ca 0.25 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2kby h GLU 16 Cb 0.18 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2kby h GLU 16 CO -0.18 0.58 0.19 0.82 -1.00 0.00 0.00 179.01 179.42 2kby h ILE 17 N 0.53 1.20 -0.17 3.13 2.04 -1.09 -0.79 117.51 122.37 2kby h ILE 17 Ca 0.14 -0.61 -0.20 0.00 1.00 0.00 0.00 64.86 65.19 2kby h ILE 17 Cb 0.19 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2kby h ILE 17 CO -0.01 0.23 -0.66 -0.07 0.00 0.00 0.00 178.15 177.64 2kby h LEU 18 N 0.60 0.87 -0.20 1.44 3.38 -1.16 -2.46 115.31 117.78 2kby h LEU 18 Ca 0.15 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.52 2kby h LEU 18 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2kby h LEU 18 CO -0.01 1.33 0.09 -0.03 0.09 0.00 0.00 178.44 179.91 2kby h MET 19 N 0.45 0.19 -0.66 1.13 4.05 0.25 0.63 114.93 120.98 2kby h MET 19 Ca -0.03 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.42 2kby h MET 19 Cb 1.29 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 32.00 2kby h MET 19 CO 0.14 0.13 0.43 -0.22 0.23 0.00 0.00 176.91 177.62 2kby h LYS 20 N 0.20 0.70 -0.25 0.39 3.11 -1.18 -1.91 116.57 117.63 2kby h LYS 20 Ca 0.08 -0.04 -0.19 0.00 -2.81 0.00 0.00 60.65 57.68 2kby h LYS 20 Cb 0.03 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.10 2kby h LYS 20 CO -0.06 0.46 -0.60 1.25 -2.81 0.00 0.00 179.45 177.69 2kby h LEU 21 N 0.72 0.97 -1.11 5.20 5.85 -0.60 -2.42 115.31 123.92 2kby h LEU 21 Ca 0.27 -0.56 0.09 0.00 0.84 0.00 0.00 57.88 58.52 2kby h LEU 21 Cb 0.17 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 2kby h LEU 21 CO -0.08 1.35 0.61 0.50 -0.34 0.00 0.00 178.44 180.48 2kby h LYS 22 N 0.63 0.97 -0.30 1.25 3.11 0.96 0.24 116.57 123.41 2kby h LYS 22 Ca -0.00 -0.06 -0.05 0.00 -2.81 0.00 0.00 60.65 57.73 2kby h LYS 22 Cb 1.22 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 2kby h LYS 22 CO 0.13 0.64 0.00 1.49 -2.81 0.00 0.00 179.45 178.90 2kby h GLU 23 N 1.00 0.54 0.01 1.90 4.81 -1.33 -0.57 114.58 120.94 2kby h GLU 23 Ca 0.43 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2kby h GLU 23 Cb 0.34 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2kby h GLU 23 CO -0.19 0.68 -0.01 0.77 -0.73 0.00 0.00 179.01 179.53 2kby h SER 24 N 0.33 -0.01 -0.35 1.04 0.02 -0.61 -1.28 113.55 112.69 2kby h SER 24 Ca 0.09 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2kby h SER 24 Cb 0.43 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2kby h SER 24 CO 0.02 0.18 0.18 -0.07 -1.14 0.00 0.00 176.83 175.99 2kby h LEU 25 N -0.20 0.45 -0.50 5.07 3.38 -0.61 -2.29 115.31 120.61 2kby h LEU 25 Ca -0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2kby h LEU 25 Cb 0.19 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2kby h LEU 25 CO 0.00 0.43 0.13 -0.33 0.09 0.00 0.00 178.44 178.76 2kby h GLU 26 N 0.44 0.79 0.00 1.13 5.08 -1.11 -2.77 114.58 118.14 2kby h GLU 26 Ca 0.12 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2kby h GLU 26 Cb 0.09 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2kby h GLU 26 CO -0.02 0.76 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.56 2kby h LEU 27 N 0.68 0.00 -0.76 1.33 3.38 -1.09 -2.93 115.31 115.93 2kby h LEU 27 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2kby h LEU 27 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2kby h LEU 27 CO -0.00 0.12 0.18 0.23 0.09 0.00 0.00 178.44 179.06 2kby n MET 28 N -3.77 0.08 0.08 1.13 2.81 -0.87 0.30 117.12 116.87 2kby n MET 28 Ca -0.02 0.53 0.12 0.00 -1.81 0.00 0.00 57.70 56.51 2kby n MET 28 Cb 0.22 -1.93 0.07 0.00 -0.71 0.00 0.00 33.22 30.87 2kby n MET 28 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2kby n GLU 29 N -1.91 0.44 0.00 0.03 0.28 -1.11 -3.96 120.64 114.42 2kby n GLU 29 Ca -0.01 0.09 0.13 0.00 -0.16 0.00 0.00 57.16 57.21 2kby n GLU 29 Cb 0.20 -1.74 0.24 0.00 1.43 0.00 0.00 31.44 31.57 2kby n GLU 29 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2kby n LEU 30 N -2.36 2.04 -4.65 -1.84 -0.00 0.15 -4.84 117.00 105.50 2kby n LEU 30 Ca 0.01 -0.68 -0.37 0.00 -0.00 0.00 0.00 56.01 54.97 2kby n LEU 30 Cb 0.49 -0.02 -0.09 0.00 -0.00 0.00 0.00 43.42 43.80 2kby n LEU 30 CO 0.39 0.35 -0.09 0.54 -0.00 0.00 0.00 177.39 178.58 2kby s VAL 31 N -2.19 5.30 -0.08 1.47 0.11 -1.18 -5.02 120.40 118.81 2kby s VAL 31 Ca 0.28 0.33 -0.41 0.00 -2.93 0.00 0.00 61.98 59.25 2kby s VAL 31 Cb 0.20 -3.57 -0.20 0.00 -1.53 0.00 0.00 36.38 31.28 2kby s VAL 31 CO 0.41 0.29 1.20 -2.65 -3.33 0.00 0.00 175.10 171.02 2kby n PRO 32 N 4.53 0.15 -0.27 1.54 -0.02 -1.26 -4.76 135.00 134.91 2kby n PRO 32 Ca -0.13 0.05 0.08 0.00 -2.02 0.00 0.00 63.50 61.49 2kby n PRO 32 Cb 0.52 -1.57 0.22 0.00 -0.02 0.00 0.00 33.50 32.65 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 3.58 0.27 -0.40 -0.52 4.15 -1.93 0.21 115.11 120.48 2kby h GLN 33 Ca -0.49 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.02 2kby h GLN 33 Cb 1.41 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 29.02 2kby h GLN 33 CO 0.72 0.18 0.30 -1.35 -1.93 0.00 0.00 178.83 176.76 2kby h PRO 34 N 0.28 0.00 0.08 -2.39 0.11 -2.00 -1.36 132.00 126.73 2kby h PRO 34 Ca 0.47 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.32 2kby h PRO 34 Cb 0.84 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.95 2kby h PRO 34 CO -0.54 0.00 -1.13 -0.07 -0.21 0.00 0.00 178.00 176.04 2kby h LEU 35 N 0.00 0.50 -0.37 2.35 3.38 -1.29 -2.82 115.31 117.06 2kby h LEU 35 Ca 0.19 -0.48 -0.16 0.00 0.09 0.00 0.00 57.88 57.52 2kby h LEU 35 Cb 0.79 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2kby h LEU 35 CO -0.00 1.33 -0.38 0.58 0.09 0.00 0.00 178.44 180.05 2kby h VAL 36 N 0.14 1.27 -0.42 1.22 2.07 -1.08 -1.93 116.25 117.53 2kby h VAL 36 Ca -0.12 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 65.85 2kby h VAL 36 Cb 1.82 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 2kby h VAL 36 CO 0.19 0.52 0.28 -0.78 0.02 0.00 0.00 177.57 177.80 2kby h ASP 37 N 0.72 0.47 -0.58 0.57 3.58 -1.37 -0.34 116.42 119.47 2kby h ASP 37 Ca 0.06 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kby h ASP 37 Cb 0.98 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.88 2kby h ASP 37 CO 0.09 0.34 0.38 0.28 -2.88 0.00 0.00 179.24 177.46 2kby h SER 38 N 0.56 0.67 -0.28 2.28 0.02 -1.37 -2.04 113.55 113.40 2kby h SER 38 Ca 0.16 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2kby h SER 38 Cb -0.06 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2kby h SER 38 CO -0.04 0.50 0.14 0.22 -1.14 0.00 0.00 176.83 176.51 2kby h TYR 39 N 0.79 0.38 -0.62 3.45 3.20 -1.01 -1.83 116.97 121.33 2kby h TYR 39 Ca 0.21 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.18 2kby h TYR 39 Cb -0.08 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.03 2kby h TYR 39 CO -0.03 0.33 0.42 0.00 -1.64 0.00 0.00 178.16 177.24 2kby h ARG 40 N 0.32 0.39 0.03 1.82 3.08 -0.77 0.23 114.38 119.48 2kby h ARG 40 Ca 0.10 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2kby h ARG 40 Cb 0.08 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2kby h ARG 40 CO -0.01 0.26 -0.01 0.37 -1.07 0.00 0.00 179.97 179.50 2kby h GLN 41 N 0.40 -0.04 0.00 0.04 5.75 -0.85 0.34 115.11 120.75 2kby h GLN 41 Ca 0.29 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.78 2kby h GLN 41 Cb 0.61 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 2kby h GLN 41 CO -0.08 0.41 -0.07 0.37 -2.65 0.00 0.00 178.83 176.81 2kby h GLN 42 N -0.50 0.00 0.04 1.69 4.15 -0.45 -1.55 115.11 118.49 2kby h GLN 42 Ca -0.00 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.14 2kby h GLN 42 Cb 0.47 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 2kby h GLN 42 CO 0.01 0.07 -1.46 0.37 -1.93 0.00 0.00 178.83 175.89 2kby h GLN 43 N 0.00 0.08 0.00 1.69 5.75 -0.46 -3.28 115.11 118.89 2kby h GLN 43 Ca -0.00 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2kby h GLN 43 Cb 0.18 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 2kby h GLN 43 CO 0.01 0.83 -0.11 0.37 -2.65 0.00 0.00 178.83 177.28 2kby h GLN 44 N 0.02 0.00 -0.22 1.69 5.75 0.66 -2.84 115.11 120.18 2kby h GLN 44 Ca -0.20 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.34 2kby h GLN 44 Cb 1.94 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.45 2kby h GLN 44 CO 0.12 0.11 -0.03 1.25 -2.65 0.00 0.00 178.83 177.62 2kby h LEU 45 N 0.00 -0.15 -6.78 -2.39 5.85 -1.45 -3.35 115.31 107.04 2kby h LEU 45 Ca -0.00 0.06 -0.60 0.00 0.84 0.00 0.00 57.88 58.17 2kby h LEU 45 Cb 0.43 0.11 -0.40 0.00 0.37 0.00 0.00 40.66 41.17 2kby h LEU 45 CO 0.01 -0.05 -0.79 -0.22 -0.34 0.00 0.00 178.44 177.06 2kby s LEU 46 N -10.39 2.37 -0.37 2.25 2.96 -1.08 -4.99 118.68 109.44 2kby s LEU 46 Ca -0.13 -2.82 -0.04 0.00 -0.22 0.00 0.00 54.13 50.91 2kby s LEU 46 Cb 0.10 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.95 2kby s LEU 46 CO 0.69 -0.23 2.85 1.67 -1.32 0.00 0.00 176.35 180.01 2kby n GLN 47 N 3.25 2.28 0.00 1.98 0.00 -1.20 -4.94 117.38 118.75 2kby n GLN 47 Ca 0.16 -2.05 0.00 0.00 -0.00 0.00 0.00 57.00 55.11 2kby n GLN 47 Cb 0.38 -2.07 0.00 0.00 0.00 0.00 0.00 30.24 28.55 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60