#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 -5.13 120.64 113.29 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 -0.40 -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 -4.97 116.55 109.46 2kby n ASP 3 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 2kby n ASP 3 Cb 0.34 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.41 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 0.00 3.29 0.30 2.12 2.01 -1.26 -5.04 115.64 117.05 2kby s THR 4 Ca 0.00 1.13 0.06 0.00 0.31 0.00 0.00 61.69 63.19 2kby s THR 4 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 2kby s THR 4 CO 0.00 0.15 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.76 2kby s TYR 5 N -1.37 1.97 -0.15 4.92 2.02 -1.26 -5.14 117.35 118.35 2kby s TYR 5 Ca 0.53 -0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 2kby s TYR 5 Cb -0.30 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 2kby s TYR 5 CO 0.39 0.19 -0.13 0.71 -1.57 0.00 0.00 175.55 175.14 2kby s TYR 6 N -3.10 2.81 -0.31 2.71 2.02 -1.26 -5.09 117.35 115.13 2kby s TYR 6 Ca 0.32 -0.84 -0.03 0.00 -0.37 0.00 0.00 57.07 56.16 2kby s TYR 6 Cb 0.06 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.78 2kby s TYR 6 CO 0.13 -0.35 0.03 -1.17 -1.57 0.00 0.00 175.55 172.62 2kby s LEU 7 N 0.66 4.03 -0.36 -1.29 2.96 -1.26 -5.07 118.68 118.34 2kby s LEU 7 Ca -0.07 -1.28 -0.27 0.00 -0.22 0.00 0.00 54.13 52.29 2kby s LEU 7 Cb -0.15 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.81 2kby s LEU 7 CO 0.02 -0.28 0.99 -1.58 -1.32 0.00 0.00 176.35 174.19 2kby s GLN 8 N 1.28 3.91 -0.14 1.98 0.74 -1.26 -5.00 119.66 121.16 2kby s GLN 8 Ca -0.04 0.74 0.02 0.00 0.05 0.00 0.00 55.36 56.14 2kby s GLN 8 Cb -0.20 -3.79 0.01 0.00 1.10 0.00 0.00 33.01 30.13 2kby s GLN 8 CO -0.00 -0.97 -0.21 0.08 -0.55 0.00 0.00 175.29 173.63 2kby s VAL 9 N 3.62 2.17 -0.04 1.34 1.01 -1.26 -5.11 120.40 122.13 2kby s VAL 9 Ca 0.41 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2kby s VAL 9 Cb -0.12 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 2kby s VAL 9 CO 0.19 0.55 0.30 -0.60 0.00 0.00 0.00 175.10 175.53 2kby s ARG 10 N 0.74 3.71 0.00 2.72 3.00 -1.26 -4.71 118.95 123.15 2kby s ARG 10 Ca -0.09 0.17 0.00 0.00 -1.00 0.00 0.00 55.73 54.81 2kby s ARG 10 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 34.95 31.60 2kby s ARG 10 CO 0.00 0.72 0.00 0.41 0.00 0.00 0.00 175.30 176.43 2kby n GLY 11 N 1.82 -1.12 0.18 8.12 0.00 -1.26 -4.56 105.19 108.38 2kby n GLY 11 Ca -0.16 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 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 0.16 -0.55 1.61 9.65 -1.99 -0.90 114.38 122.37 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 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.47 2kby h ARG 12 CO 0.00 0.11 0.15 1.49 2.80 0.00 0.00 179.97 184.51 2kby h GLU 13 N 0.17 0.29 -0.32 0.20 4.81 -2.00 0.17 114.58 117.90 2kby h GLU 13 Ca 0.22 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2kby h GLU 13 Cb 0.31 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2kby h GLU 13 CO -0.33 0.19 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.13 2kby h ASN 14 N 0.30 0.63 -0.52 1.04 2.35 -1.69 -2.34 115.58 115.34 2kby h ASN 14 Ca 0.28 -0.38 0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2kby h ASN 14 Cb 0.37 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 2kby h ASN 14 CO -0.33 0.87 0.30 0.15 -1.65 0.00 0.00 177.43 176.76 2kby h PHE 15 N 0.39 0.56 -0.30 1.19 3.57 -0.58 -0.56 116.94 121.21 2kby h PHE 15 Ca 0.08 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2kby h PHE 15 Cb 0.60 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2kby h PHE 15 CO 0.05 0.30 0.08 0.93 -2.23 0.00 0.00 178.31 177.44 2kby h GLU 16 N 0.59 0.48 -0.60 1.11 5.08 -0.96 0.64 114.58 120.92 2kby h GLU 16 Ca 0.22 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2kby h GLU 16 Cb 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2kby h GLU 16 CO -0.11 0.55 0.34 0.82 -1.00 0.00 0.00 179.01 179.60 2kby h ILE 17 N 0.32 1.19 -0.08 3.13 2.04 -1.19 -1.52 117.51 121.40 2kby h ILE 17 Ca 0.09 -0.48 -0.20 0.00 1.00 0.00 0.00 64.86 65.27 2kby h ILE 17 Cb 0.28 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2kby h ILE 17 CO 0.00 0.21 -0.78 -0.07 0.00 0.00 0.00 178.15 177.51 2kby h LEU 18 N 0.82 0.61 -0.05 1.44 3.38 -1.00 -2.68 115.31 117.82 2kby h LEU 18 Ca 0.21 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2kby h LEU 18 Cb 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2kby h LEU 18 CO -0.03 1.18 0.03 -0.03 0.09 0.00 0.00 178.44 179.67 2kby h MET 19 N 0.33 0.08 -0.91 1.13 4.05 0.58 0.58 114.93 120.77 2kby h MET 19 Ca -0.05 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.44 2kby h MET 19 Cb 1.38 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 32.10 2kby h MET 19 CO 0.14 0.13 0.57 -0.22 0.23 0.00 0.00 176.91 177.76 2kby h LYS 20 N -0.00 0.98 -0.47 0.39 1.63 -1.34 -1.76 116.57 116.00 2kby h LYS 20 Ca 0.02 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 2kby h LYS 20 Cb 0.08 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 2kby h LYS 20 CO -0.00 0.65 0.15 1.25 -3.45 0.00 0.00 179.45 178.05 2kby h LEU 21 N 1.01 0.68 -1.07 5.20 6.46 -1.02 -0.11 115.31 126.46 2kby h LEU 21 Ca 0.40 -0.20 0.12 0.00 -0.12 0.00 0.00 57.88 58.08 2kby h LEU 21 Cb 0.21 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 39.89 2kby h LEU 21 CO -0.19 0.70 0.62 0.50 -0.62 0.00 0.00 178.44 179.45 2kby h LYS 22 N 0.62 0.92 -0.22 1.25 3.64 0.96 0.20 116.57 123.94 2kby h LYS 22 Ca 0.15 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2kby h LYS 22 Cb 0.26 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2kby h LYS 22 CO -0.01 0.61 -0.11 0.93 -2.27 0.00 0.00 179.45 178.60 2kby h GLU 23 N 0.95 0.47 -0.28 1.90 5.08 -0.65 -0.91 114.58 121.14 2kby h GLU 23 Ca 0.48 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2kby h GLU 23 Cb 0.51 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2kby h GLU 23 CO -0.25 0.74 0.17 0.66 -1.00 0.00 0.00 179.01 179.34 2kby h SER 24 N 0.18 0.33 -0.29 1.42 4.64 0.57 0.34 113.55 120.75 2kby h SER 24 Ca 0.05 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2kby h SER 24 Cb 0.60 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2kby h SER 24 CO 0.03 0.28 0.09 -0.07 -0.87 0.00 0.00 176.83 176.29 2kby h LEU 25 N 0.36 0.43 -0.40 5.97 3.38 -0.70 -0.37 115.31 123.98 2kby h LEU 25 Ca 0.10 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2kby h LEU 25 Cb 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2kby h LEU 25 CO -0.02 0.53 -0.02 -0.33 0.09 0.00 0.00 178.44 178.69 2kby h GLU 26 N 0.31 0.72 -0.16 1.13 5.08 -1.05 -2.97 114.58 117.64 2kby h GLU 26 Ca 0.09 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 2kby h GLU 26 Cb 0.26 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kby h GLU 26 CO -0.00 0.82 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.56 2kby h LEU 27 N 0.55 0.26 -0.79 1.33 3.38 -0.25 -2.61 115.31 117.18 2kby h LEU 27 Ca 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kby h LEU 27 Cb 0.51 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2kby h LEU 27 CO 0.02 0.48 0.17 0.80 0.09 0.00 0.00 178.44 180.01 2kby n MET 28 N -4.20 0.08 0.05 1.13 1.56 -0.15 -0.04 117.12 115.55 2kby n MET 28 Ca -0.01 0.54 0.04 0.00 -0.27 0.00 0.00 57.70 58.00 2kby n MET 28 Cb 0.33 -1.93 -0.06 0.00 2.15 0.00 0.00 33.22 33.71 2kby n MET 28 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2kby n GLU 29 N -1.92 0.62 -0.06 2.12 0.28 -0.98 -3.97 120.64 116.72 2kby n GLU 29 Ca -0.01 0.18 0.11 0.00 -0.16 0.00 0.00 57.16 57.28 2kby n GLU 29 Cb 0.19 -1.81 0.41 0.00 1.43 0.00 0.00 31.44 31.66 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 -2.81 1.57 -4.64 -1.84 -0.00 0.95 -4.79 117.00 105.44 2kby n LEU 30 Ca -0.07 -0.64 -0.37 0.00 -0.00 0.00 0.00 56.01 54.94 2kby n LEU 30 Cb 0.74 -0.09 -0.09 0.00 -0.00 0.00 0.00 43.42 43.98 2kby n LEU 30 CO 0.42 0.32 -0.12 0.54 -0.00 0.00 0.00 177.39 178.55 2kby s VAL 31 N -1.83 5.31 -0.01 1.47 0.11 -1.17 -5.02 120.40 119.26 2kby s VAL 31 Ca 0.33 0.28 -0.40 0.00 -2.93 0.00 0.00 61.98 59.26 2kby s VAL 31 Cb 0.18 -3.55 -0.20 0.00 -1.53 0.00 0.00 36.38 31.28 2kby s VAL 31 CO 0.27 0.30 1.10 -2.65 -3.33 0.00 0.00 175.10 170.79 2kby n PRO 32 N 4.53 0.08 -0.28 1.54 -0.02 -1.26 -4.76 135.00 134.83 2kby n PRO 32 Ca -0.13 0.03 0.10 0.00 -2.02 0.00 0.00 63.50 61.47 2kby n PRO 32 Cb 0.52 -1.54 0.25 0.00 -0.02 0.00 0.00 33.50 32.71 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 3.16 0.27 -0.46 -0.52 4.15 -1.95 -0.10 115.11 119.66 2kby h GLN 33 Ca -0.51 -0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.03 2kby h GLN 33 Cb 1.42 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 2kby h GLN 33 CO 0.67 0.18 0.33 -1.35 -1.93 0.00 0.00 178.83 176.73 2kby h PRO 34 N 0.27 0.00 0.05 -2.39 0.11 -2.00 -1.39 132.00 126.65 2kby h PRO 34 Ca 0.50 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.37 2kby h PRO 34 Cb 0.93 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2kby h PRO 34 CO -0.57 0.00 -1.05 -0.07 -0.21 0.00 0.00 178.00 176.10 2kby h LEU 35 N 0.00 0.42 -0.37 2.35 3.38 -1.34 -2.82 115.31 116.93 2kby h LEU 35 Ca 0.22 -0.39 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2kby h LEU 35 Cb 0.88 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2kby h LEU 35 CO -0.00 1.23 -0.37 0.58 0.09 0.00 0.00 178.44 179.97 2kby h VAL 36 N 0.14 1.27 -0.24 1.22 2.07 -1.15 -1.82 116.25 117.74 2kby h VAL 36 Ca -0.09 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 65.89 2kby h VAL 36 Cb 1.73 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2kby h VAL 36 CO 0.17 0.51 0.15 -0.78 0.02 0.00 0.00 177.57 177.65 2kby h ASP 37 N 0.73 0.26 -0.54 0.57 1.82 -1.40 -0.59 116.42 117.26 2kby h ASP 37 Ca 0.06 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2kby h ASP 37 Cb 0.96 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.89 2kby h ASP 37 CO 0.09 0.19 0.35 0.28 -1.61 0.00 0.00 179.24 178.55 2kby h SER 38 N 0.32 0.63 -0.30 2.28 0.02 -1.40 -2.18 113.55 112.91 2kby h SER 38 Ca 0.09 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2kby h SER 38 Cb -0.03 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2kby h SER 38 CO -0.03 0.47 0.16 0.22 -1.14 0.00 0.00 176.83 176.51 2kby h TYR 39 N 0.74 0.42 -0.63 3.45 3.20 -1.08 -2.26 116.97 120.81 2kby h TYR 39 Ca 0.20 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.17 2kby h TYR 39 Cb -0.07 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.03 2kby h TYR 39 CO -0.03 0.35 0.42 0.00 -1.64 0.00 0.00 178.16 177.26 2kby h ARG 40 N 0.36 0.37 -0.43 1.82 3.08 -0.83 0.97 114.38 119.71 2kby h ARG 40 Ca 0.11 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 2kby h ARG 40 Cb 0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2kby h ARG 40 CO -0.02 0.24 0.00 0.37 -1.07 0.00 0.00 179.97 179.50 2kby h GLN 41 N 0.38 0.77 -0.02 0.04 5.75 -0.83 0.32 115.11 121.51 2kby h GLN 41 Ca 0.30 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2kby h GLN 41 Cb 0.65 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 2kby h GLN 41 CO -0.08 0.84 0.02 0.37 -2.65 0.00 0.00 178.83 177.33 2kby h GLN 42 N 0.61 0.00 0.13 1.69 4.15 -0.41 -0.59 115.11 120.69 2kby h GLN 42 Ca 0.12 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.23 2kby h GLN 42 Cb 0.49 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 2kby h GLN 42 CO 0.02 0.00 -1.54 0.37 -1.93 0.00 0.00 178.83 175.75 2kby h GLN 43 N 0.00 0.28 -0.01 1.69 -0.00 -0.72 -3.28 115.11 113.07 2kby h GLN 43 Ca 0.01 -0.47 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 2kby h GLN 43 Cb 0.05 0.18 -0.00 0.00 0.00 0.00 0.00 27.48 27.71 2kby h GLN 43 CO -0.00 1.15 0.03 1.96 0.00 0.00 0.00 178.83 181.97 2kby h GLN 44 N 0.08 0.00 -0.27 1.69 1.08 0.12 -2.19 115.11 115.62 2kby h GLN 44 Ca -0.25 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.00 2kby h GLN 44 Cb 2.03 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.41 2kby h GLN 44 CO 0.17 0.00 -0.02 1.25 -0.95 0.00 0.00 178.83 179.28 2kby h LEU 45 N 0.00 -0.15 -6.68 1.46 5.85 -1.44 -3.43 115.31 110.92 2kby h LEU 45 Ca 0.01 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.90 2kby h LEU 45 Cb 0.06 0.12 -0.21 0.00 0.37 0.00 0.00 40.66 41.00 2kby h LEU 45 CO -0.00 -0.04 -0.05 -1.48 -0.34 0.00 0.00 178.44 176.53 2kby s LEU 46 N -10.42 -1.01 -1.21 2.25 0.05 -0.82 -5.05 118.68 102.47 2kby s LEU 46 Ca -0.13 1.22 -0.04 0.00 0.05 0.00 0.00 54.13 55.22 2kby s LEU 46 Cb 0.11 2.08 0.17 0.00 -2.05 0.00 0.00 46.19 46.50 2kby s LEU 46 CO 0.69 -0.19 2.27 1.67 -0.55 0.00 0.00 176.35 180.24 2kby n GLN 47 N 5.33 4.68 0.00 1.48 -0.06 -1.25 -4.90 117.38 122.66 2kby n GLN 47 Ca -0.09 -3.70 0.00 0.00 -2.00 0.00 0.00 57.00 51.21 2kby n GLN 47 Cb 0.50 -2.57 0.00 0.00 -4.06 0.00 0.00 30.24 24.12 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40