#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 0.00 -1.26 -5.14 120.64 113.00 2kby n GLU 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2kby n GLU 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2kby n GLU 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2kby n ASP 3 N 0.00 0.00 -4.77 -1.84 9.92 -1.26 -4.98 116.55 113.62 2kby n ASP 3 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.87 2kby n ASP 3 Cb 0.28 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.73 2kby n ASP 3 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kby s THR 4 N 0.43 3.25 0.28 -3.53 2.01 -1.26 -5.04 115.64 111.78 2kby s THR 4 Ca 0.00 1.13 0.07 0.00 0.31 0.00 0.00 61.69 63.20 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 0.18 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.73 2kby s TYR 5 N -1.32 1.94 -0.15 4.92 2.02 -1.26 -5.14 117.35 118.35 2kby s TYR 5 Ca 0.52 -0.69 -0.01 0.00 -0.37 0.00 0.00 57.07 56.52 2kby s TYR 5 Cb -0.31 -1.10 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 2kby s TYR 5 CO 0.40 0.28 -0.12 0.71 -1.57 0.00 0.00 175.55 175.25 2kby s TYR 6 N -3.01 2.83 -0.32 2.71 2.02 -1.26 -5.09 117.35 115.23 2kby s TYR 6 Ca 0.29 -0.84 -0.04 0.00 -0.37 0.00 0.00 57.07 56.12 2kby s TYR 6 Cb 0.03 -1.90 0.05 0.00 -0.40 0.00 0.00 41.96 39.74 2kby s TYR 6 CO 0.12 -0.36 0.06 -1.17 -1.57 0.00 0.00 175.55 172.62 2kby s LEU 7 N 0.70 4.15 -0.41 -1.29 2.96 -1.26 -5.07 118.68 118.47 2kby s LEU 7 Ca -0.06 -1.24 -0.28 0.00 -0.22 0.00 0.00 54.13 52.34 2kby s LEU 7 Cb -0.15 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.77 2kby s LEU 7 CO 0.02 -0.30 1.04 -1.58 -1.32 0.00 0.00 176.35 174.20 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 0.02 0.00 0.05 0.00 0.00 55.36 56.01 2kby s GLN 8 Cb -0.20 -3.85 0.01 0.00 1.10 0.00 0.00 33.01 30.07 2kby s GLN 8 CO 0.01 -1.15 -0.20 0.08 -0.55 0.00 0.00 175.29 173.48 2kby s VAL 9 N 3.93 2.22 -0.08 1.34 1.01 -1.26 -5.11 120.40 122.45 2kby s VAL 9 Ca 0.43 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2kby s VAL 9 Cb -0.10 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2kby s VAL 9 CO 0.24 0.54 0.30 -0.60 0.00 0.00 0.00 175.10 175.58 2kby s ARG 10 N 0.82 3.89 0.00 2.72 3.00 -1.26 -4.70 118.95 123.42 2kby s ARG 10 Ca -0.06 0.17 0.00 0.00 -1.00 0.00 0.00 55.73 54.84 2kby s ARG 10 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 34.95 31.52 2kby s ARG 10 CO -0.02 0.58 0.00 0.41 0.00 0.00 0.00 175.30 176.27 2kby n GLY 11 N 2.34 0.02 0.16 8.12 0.00 -1.26 -4.57 105.19 110.00 2kby n GLY 11 Ca -0.15 -1.16 -0.05 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 0.04 -0.58 1.61 9.65 -1.99 -0.40 114.38 122.72 2kby h ARG 12 Ca 0.00 -0.00 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 2kby h ARG 12 Cb 0.00 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 28.50 2kby h ARG 12 CO 0.00 0.03 0.18 1.49 2.80 0.00 0.00 179.97 184.47 2kby h GLU 13 N 0.05 0.33 -0.31 0.20 4.81 -2.00 0.31 114.58 117.96 2kby h GLU 13 Ca 0.18 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2kby h GLU 13 Cb 0.26 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2kby h GLU 13 CO -0.34 0.22 0.07 -0.91 -0.73 0.00 0.00 179.01 177.31 2kby h ASN 14 N 0.34 0.48 -0.58 1.04 4.21 -1.67 -2.35 115.58 117.05 2kby h ASN 14 Ca 0.29 -0.24 0.04 0.00 1.21 0.00 0.00 56.30 57.60 2kby h ASN 14 Cb 0.38 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 37.41 2kby h ASN 14 CO -0.33 0.60 0.32 0.15 -1.29 0.00 0.00 177.43 176.88 2kby h PHE 15 N 0.34 0.59 -0.36 1.19 3.57 -0.34 -1.31 116.94 120.63 2kby h PHE 15 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2kby h PHE 15 Cb 0.31 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2kby h PHE 15 CO 0.02 0.30 0.12 0.93 -2.23 0.00 0.00 178.31 177.45 2kby h GLU 16 N 0.61 0.55 -0.47 1.11 4.39 -0.87 0.56 114.58 120.47 2kby h GLU 16 Ca 0.25 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 2kby h GLU 16 Cb 0.11 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2kby h GLU 16 CO -0.15 0.56 0.20 0.82 -1.16 0.00 0.00 179.01 179.28 2kby h ILE 17 N 0.43 1.20 -0.20 3.13 2.04 -1.14 -0.60 117.51 122.37 2kby h ILE 17 Ca 0.12 -0.60 -0.19 0.00 1.00 0.00 0.00 64.86 65.18 2kby h ILE 17 Cb 0.23 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2kby h ILE 17 CO -0.01 0.23 -0.63 -0.07 0.00 0.00 0.00 178.15 177.67 2kby h LEU 18 N 0.61 0.90 -0.20 1.44 3.38 -1.17 -2.50 115.31 117.77 2kby h LEU 18 Ca 0.16 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2kby h LEU 18 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2kby h LEU 18 CO -0.02 1.34 0.12 -0.03 0.09 0.00 0.00 178.44 179.94 2kby h MET 19 N 0.51 0.25 -0.78 1.13 4.05 0.25 0.58 114.93 120.93 2kby h MET 19 Ca -0.02 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.44 2kby h MET 19 Cb 1.26 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.95 2kby h MET 19 CO 0.13 0.16 0.51 -0.22 0.23 0.00 0.00 176.91 177.73 2kby h LYS 20 N 0.26 0.83 -0.17 0.39 3.11 -1.14 -1.89 116.57 117.96 2kby h LYS 20 Ca 0.07 -0.05 -0.14 0.00 -2.81 0.00 0.00 60.65 57.72 2kby h LYS 20 Cb -0.02 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 2kby h LYS 20 CO -0.02 0.55 -0.45 1.25 -2.81 0.00 0.00 179.45 177.97 2kby h LEU 21 N 0.86 0.70 -0.99 5.20 5.85 -0.80 -2.38 115.31 123.74 2kby h LEU 21 Ca 0.33 -0.58 0.13 0.00 0.84 0.00 0.00 57.88 58.61 2kby h LEU 21 Cb 0.20 -0.20 -0.09 0.00 0.37 0.00 0.00 40.66 40.94 2kby h LEU 21 CO -0.11 1.15 0.62 0.50 -0.34 0.00 0.00 178.44 180.25 2kby h LYS 22 N 0.28 0.90 -0.31 1.25 3.11 0.81 0.29 116.57 122.90 2kby h LYS 22 Ca -0.01 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.72 2kby h LYS 22 Cb 1.06 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.08 2kby h LYS 22 CO 0.10 0.60 -0.04 1.49 -2.81 0.00 0.00 179.45 178.79 2kby h GLU 23 N 0.93 0.57 0.03 1.90 4.81 -1.32 -0.51 114.58 120.98 2kby h GLU 23 Ca 0.51 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2kby h GLU 23 Cb 0.57 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2kby h GLU 23 CO -0.29 0.73 -0.01 0.66 -0.73 0.00 0.00 179.01 179.37 2kby h SER 24 N 0.35 -0.03 -0.38 1.04 4.64 -0.42 -1.09 113.55 117.66 2kby h SER 24 Ca 0.08 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2kby h SER 24 Cb 0.50 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2kby h SER 24 CO 0.02 0.02 0.20 -0.07 -0.87 0.00 0.00 176.83 176.14 2kby h LEU 25 N -0.08 0.48 -0.45 5.97 3.38 -0.53 -2.38 115.31 121.69 2kby h LEU 25 Ca -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2kby h LEU 25 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2kby h LEU 25 CO 0.01 0.44 0.22 -0.08 0.09 0.00 0.00 178.44 179.11 2kby h GLU 26 N 0.48 0.65 0.00 1.13 4.22 -1.03 -2.63 114.58 117.40 2kby h GLU 26 Ca 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 2kby h GLU 26 Cb 0.07 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2kby h GLU 26 CO -0.02 0.55 -0.13 -0.07 -2.18 0.00 0.00 179.01 177.16 2kby h LEU 27 N 0.59 0.00 -0.87 1.64 3.38 -1.06 -2.95 115.31 116.04 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 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2kby h LEU 27 CO -0.02 0.13 0.19 0.23 0.09 0.00 0.00 178.44 179.05 2kby n MET 28 N -3.77 0.09 0.07 1.13 2.81 -0.91 0.42 117.12 116.96 2kby n MET 28 Ca -0.02 0.55 0.12 0.00 -1.81 0.00 0.00 57.70 56.54 2kby n MET 28 Cb 0.23 -1.97 0.07 0.00 -0.71 0.00 0.00 33.22 30.84 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 -1.99 0.42 0.00 0.03 0.28 -1.11 -3.94 120.64 114.33 2kby n GLU 29 Ca -0.01 0.08 0.12 0.00 -0.16 0.00 0.00 57.16 57.20 2kby n GLU 29 Cb 0.21 -1.72 0.22 0.00 1.43 0.00 0.00 31.44 31.58 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 -2.30 2.12 -4.65 -1.84 -0.00 0.17 -4.84 117.00 105.66 2kby n LEU 30 Ca 0.02 -0.71 -0.37 0.00 -0.00 0.00 0.00 56.01 54.94 2kby n LEU 30 Cb 0.48 -0.02 -0.09 0.00 -0.00 0.00 0.00 43.42 43.79 2kby n LEU 30 CO 0.39 0.37 -0.07 -0.69 -0.00 0.00 0.00 177.39 177.39 2kby s VAL 31 N -2.18 5.28 -0.20 1.47 1.01 -1.15 -5.02 120.40 119.62 2kby s VAL 31 Ca 0.28 0.38 -0.42 0.00 0.00 0.00 0.00 61.98 62.22 2kby s VAL 31 Cb 0.20 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.79 2kby s VAL 31 CO 0.40 0.28 1.36 -2.65 0.00 0.00 0.00 175.10 174.50 2kby n PRO 32 N 4.58 0.26 -0.22 2.72 -0.02 -1.26 -4.75 135.00 136.31 2kby n PRO 32 Ca -0.12 0.09 0.02 0.00 -2.02 0.00 0.00 63.50 61.48 2kby n PRO 32 Cb 0.52 -1.63 0.13 0.00 -0.02 0.00 0.00 33.50 32.49 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 4.35 0.19 -0.13 -0.52 5.75 -1.93 -0.23 115.11 122.59 2kby h GLN 33 Ca -0.48 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.05 2kby h GLN 33 Cb 1.39 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.89 2kby h GLN 33 CO 0.82 0.13 0.10 -1.35 -2.65 0.00 0.00 178.83 175.87 2kby h PRO 34 N 0.20 0.00 0.10 -2.39 0.11 -2.00 -0.69 132.00 127.33 2kby h PRO 34 Ca 0.35 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.20 2kby h PRO 34 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2kby h PRO 34 CO -0.49 0.00 -1.18 1.25 -0.21 0.00 0.00 178.00 177.37 2kby h LEU 35 N 0.00 0.39 -0.40 2.35 5.85 -1.40 -2.84 115.31 119.27 2kby h LEU 35 Ca 0.06 -0.40 -0.17 0.00 0.84 0.00 0.00 57.88 58.21 2kby h LEU 35 Cb 0.26 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2kby h LEU 35 CO -0.00 1.30 -0.47 0.58 -0.34 0.00 0.00 178.44 179.51 2kby h VAL 36 N 0.08 1.28 -0.74 1.05 2.07 -0.71 -2.69 116.25 116.59 2kby h VAL 36 Ca -0.11 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 65.79 2kby h VAL 36 Cb 1.89 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 33.15 2kby h VAL 36 CO 0.19 0.54 0.46 -0.78 0.02 0.00 0.00 177.57 178.00 2kby h ASP 37 N 0.67 0.75 -0.61 0.57 3.58 -1.18 -0.18 116.42 120.02 2kby h ASP 37 Ca 0.04 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.51 2kby h ASP 37 Cb 1.05 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 2kby h ASP 37 CO 0.11 0.51 0.38 0.28 -2.88 0.00 0.00 179.24 177.64 2kby h SER 38 N 0.88 0.64 -0.55 2.28 0.02 -1.33 -1.69 113.55 113.81 2kby h SER 38 Ca 0.30 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2kby h SER 38 Cb 0.05 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 2kby h SER 38 CO -0.12 0.45 0.34 0.22 -1.14 0.00 0.00 176.83 176.58 2kby h TYR 39 N 0.77 0.71 -0.63 3.45 3.20 -1.04 -1.63 116.97 121.80 2kby h TYR 39 Ca 0.24 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.24 2kby h TYR 39 Cb -0.02 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 2kby h TYR 39 CO -0.05 0.47 0.43 0.00 -1.64 0.00 0.00 178.16 177.37 2kby h ARG 40 N 0.74 0.32 -0.23 1.82 3.08 -0.35 0.19 114.38 119.96 2kby h ARG 40 Ca 0.20 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 2kby h ARG 40 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2kby h ARG 40 CO -0.04 0.21 -0.05 0.37 -1.07 0.00 0.00 179.97 179.39 2kby h GLN 41 N 0.33 0.43 0.00 0.04 4.15 -0.44 0.92 115.11 120.54 2kby h GLN 41 Ca 0.30 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2kby h GLN 41 Cb 0.72 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 2kby h GLN 41 CO -0.08 0.66 -0.08 0.37 -1.93 0.00 0.00 178.83 177.78 2kby h GLN 42 N 0.17 0.00 0.07 1.69 4.15 -0.34 -1.97 115.11 118.87 2kby h GLN 42 Ca 0.06 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.34 2kby h GLN 42 Cb 0.50 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.21 2kby h GLN 42 CO 0.02 0.08 -0.59 0.37 -1.93 0.00 0.00 178.83 176.78 2kby h GLN 43 N 0.00 0.28 0.00 1.69 4.15 -0.30 -3.21 115.11 117.73 2kby h GLN 43 Ca -0.00 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 2kby h GLN 43 Cb 0.20 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 2kby h GLN 43 CO 0.01 1.13 -0.00 1.96 -1.93 0.00 0.00 178.83 180.00 2kby h GLN 44 N -0.38 0.00 -0.75 1.69 1.08 -0.26 -2.01 115.11 114.48 2kby h GLN 44 Ca -0.09 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.20 2kby h GLN 44 Cb 1.39 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.75 2kby h GLN 44 CO 0.11 0.00 0.39 1.25 -0.95 0.00 0.00 178.83 179.64 2kby h LEU 45 N 0.00 0.53 0.00 1.46 5.85 -1.37 -3.42 115.31 118.36 2kby h LEU 45 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kby h LEU 45 Cb 0.03 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2kby h LEU 45 CO 0.00 0.30 0.00 0.18 -0.34 0.00 0.00 178.44 178.58 2kby n LEU 46 N -4.82 0.00 -3.51 2.25 4.77 -0.85 -5.05 117.00 109.78 2kby n LEU 46 Ca 0.12 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.91 2kby n LEU 46 Cb 0.27 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2kby n LEU 46 CO 0.25 -0.41 0.03 1.67 -1.33 0.00 0.00 177.39 177.61 2kby n GLN 47 N -2.22 -5.20 0.00 3.23 0.00 -0.82 -5.11 117.38 107.26 2kby n GLN 47 Ca 0.00 0.75 0.00 0.00 -0.00 0.00 0.00 57.00 57.75 2kby n GLN 47 Cb 0.00 -5.54 0.00 0.00 0.00 0.00 0.00 30.24 24.70 2kby n GLN 47 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95