#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 -0.40 0.00 0.00 0.00 177.13 176.73 2kby n ASP 3 N 0.00 0.00 -4.77 -1.84 5.68 -1.26 -4.98 116.55 109.39 2kby n ASP 3 Ca 0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.91 2kby n ASP 3 Cb 0.30 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.25 2kby n ASP 3 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2kby s THR 4 N 0.00 3.37 0.28 2.12 2.01 -1.26 -5.04 115.64 117.11 2kby s THR 4 Ca 0.00 1.19 0.06 0.00 0.31 0.00 0.00 61.69 63.26 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 0.15 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.71 2kby s TYR 5 N -1.39 1.93 -0.16 4.92 2.02 -1.26 -5.14 117.35 118.27 2kby s TYR 5 Ca 0.53 -0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 56.52 2kby s TYR 5 Cb -0.29 -1.10 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 2kby s TYR 5 CO 0.37 0.27 -0.11 0.71 -1.57 0.00 0.00 175.55 175.21 2kby s TYR 6 N -3.03 2.85 -0.33 2.71 2.02 -1.26 -5.08 117.35 115.22 2kby s TYR 6 Ca 0.29 -0.84 -0.05 0.00 -0.37 0.00 0.00 57.07 56.10 2kby s TYR 6 Cb 0.04 -1.93 0.05 0.00 -0.40 0.00 0.00 41.96 39.72 2kby s TYR 6 CO 0.12 -0.38 0.08 -1.17 -1.57 0.00 0.00 175.55 172.63 2kby s LEU 7 N 0.78 4.24 -0.40 -1.29 2.96 -1.26 -5.06 118.68 118.64 2kby s LEU 7 Ca -0.05 -1.22 -0.27 0.00 -0.22 0.00 0.00 54.13 52.37 2kby s LEU 7 Cb -0.15 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.74 2kby s LEU 7 CO 0.01 -0.32 1.02 -1.58 -1.32 0.00 0.00 176.35 174.16 2kby s GLN 8 N 1.35 3.82 -0.13 1.98 0.74 -1.26 -5.00 119.66 121.15 2kby s GLN 8 Ca -0.02 0.63 0.03 0.00 0.05 0.00 0.00 55.36 56.05 2kby s GLN 8 Cb -0.20 -3.83 0.01 0.00 1.10 0.00 0.00 33.01 30.09 2kby s GLN 8 CO 0.01 -1.09 -0.22 0.08 -0.55 0.00 0.00 175.29 173.52 2kby s VAL 9 N 3.83 2.13 -0.07 1.34 1.01 -1.26 -5.11 120.40 122.26 2kby s VAL 9 Ca 0.42 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2kby s VAL 9 Cb -0.10 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2kby s VAL 9 CO 0.23 0.55 0.28 -0.60 0.00 0.00 0.00 175.10 175.55 2kby s ARG 10 N 0.69 3.74 0.00 2.72 3.00 -1.26 -4.73 118.95 123.11 2kby s ARG 10 Ca -0.10 0.14 0.00 0.00 -1.00 0.00 0.00 55.73 54.77 2kby s ARG 10 Cb -0.16 -3.23 0.00 0.00 0.00 0.00 0.00 34.95 31.56 2kby s ARG 10 CO 0.01 0.69 0.00 0.41 0.00 0.00 0.00 175.30 176.41 2kby n GLY 11 N 2.05 -0.96 0.19 8.12 0.00 -1.26 -4.57 105.19 108.76 2kby n GLY 11 Ca -0.16 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.75 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 0.17 -0.52 1.61 9.65 -1.99 -1.26 114.38 122.05 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 0.11 1.49 2.80 0.00 0.00 179.97 184.48 2kby h GLU 13 N 0.18 0.24 -0.24 0.20 4.57 -2.00 0.47 114.58 118.00 2kby h GLU 13 Ca 0.23 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2kby h GLU 13 Cb 0.32 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2kby h GLU 13 CO -0.34 0.16 0.07 -0.97 -1.18 0.00 0.00 179.01 176.75 2kby h ASN 14 N 0.25 0.36 -0.52 1.04 -0.73 -1.70 -2.33 115.58 111.96 2kby h ASN 14 Ca 0.26 -0.22 0.05 0.00 1.87 0.00 0.00 56.30 58.26 2kby h ASN 14 Cb 0.36 -0.10 -0.05 0.00 0.27 0.00 0.00 38.32 38.80 2kby h ASN 14 CO -0.34 0.49 0.26 0.15 -0.37 0.00 0.00 177.43 177.62 2kby h PHE 15 N 0.22 0.47 -0.33 0.67 3.57 -0.58 -1.32 116.94 119.65 2kby h PHE 15 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2kby h PHE 15 Cb 0.26 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2kby h PHE 15 CO 0.01 0.22 0.14 0.93 -2.23 0.00 0.00 178.31 177.38 2kby h GLU 16 N 0.50 0.49 -0.56 1.11 4.39 -0.84 0.60 114.58 120.26 2kby h GLU 16 Ca 0.23 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 2kby h GLU 16 Cb 0.15 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2kby h GLU 16 CO -0.17 0.47 0.26 0.82 -1.16 0.00 0.00 179.01 179.24 2kby h ILE 17 N 0.39 1.21 -0.06 3.13 2.04 -1.14 -0.17 117.51 122.90 2kby h ILE 17 Ca 0.11 -0.59 -0.20 0.00 1.00 0.00 0.00 64.86 65.17 2kby h ILE 17 Cb 0.16 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2kby h ILE 17 CO -0.01 0.24 -0.81 -0.07 0.00 0.00 0.00 178.15 177.49 2kby h LEU 18 N 0.76 0.57 -0.04 1.44 4.07 -1.13 -2.38 115.31 118.60 2kby h LEU 18 Ca 0.19 -0.40 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 2kby h LEU 18 Cb 0.13 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 2kby h LEU 18 CO -0.02 1.17 0.00 -0.03 -1.08 0.00 0.00 178.44 178.48 2kby h MET 19 N 0.30 0.08 -0.83 1.13 4.05 0.41 0.77 114.93 120.84 2kby h MET 19 Ca -0.05 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.40 2kby h MET 19 Cb 1.41 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.15 2kby h MET 19 CO 0.14 0.33 0.54 -0.22 0.23 0.00 0.00 176.91 177.94 2kby h LYS 20 N -0.19 0.92 -0.33 0.39 3.11 -1.10 -1.47 116.57 117.90 2kby h LYS 20 Ca 0.01 -0.06 -0.13 0.00 -2.81 0.00 0.00 60.65 57.67 2kby h LYS 20 Cb 0.29 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 2kby h LYS 20 CO 0.00 0.61 -0.31 1.25 -2.81 0.00 0.00 179.45 178.19 2kby h LEU 21 N 0.95 0.84 -0.97 5.20 6.46 -1.06 -2.71 115.31 124.02 2kby h LEU 21 Ca 0.35 -0.46 0.17 0.00 -0.12 0.00 0.00 57.88 57.82 2kby h LEU 21 Cb 0.17 -0.24 -0.10 0.00 -0.73 0.00 0.00 40.66 39.77 2kby h LEU 21 CO -0.12 1.13 0.57 0.50 -0.62 0.00 0.00 178.44 179.90 2kby h LYS 22 N 0.57 0.73 -0.28 1.25 3.64 0.16 0.85 116.57 123.48 2kby h LYS 22 Ca 0.06 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2kby h LYS 22 Cb 0.88 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2kby h LYS 22 CO 0.08 0.48 -0.09 0.93 -2.27 0.00 0.00 179.45 178.58 2kby h GLU 23 N 0.75 0.56 -0.06 1.90 5.08 -1.30 -1.39 114.58 120.11 2kby h GLU 23 Ca 0.54 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2kby h GLU 23 Cb 0.80 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2kby h GLU 23 CO -0.37 0.77 0.04 0.66 -1.00 0.00 0.00 179.01 179.11 2kby h SER 24 N 0.31 0.08 -0.34 1.42 4.64 -0.61 0.35 113.55 119.40 2kby h SER 24 Ca 0.07 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2kby h SER 24 Cb 0.58 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2kby h SER 24 CO 0.03 0.08 0.12 -0.07 -0.87 0.00 0.00 176.83 176.13 2kby h LEU 25 N 0.06 0.48 -0.43 5.97 3.38 -1.03 -0.40 115.31 123.34 2kby h LEU 25 Ca 0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2kby h LEU 25 Cb 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2kby h LEU 25 CO -0.00 0.53 0.02 -0.33 0.09 0.00 0.00 178.44 178.75 2kby h GLU 26 N 0.40 0.74 -0.08 1.13 5.08 -1.15 -2.91 114.58 117.79 2kby h GLU 26 Ca 0.11 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2kby h GLU 26 Cb 0.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2kby h GLU 26 CO -0.01 0.80 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.46 2kby h LEU 27 N 0.58 0.13 -0.93 1.33 3.38 -0.20 -2.57 115.31 117.03 2kby h LEU 27 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kby h LEU 27 Cb 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kby h LEU 27 CO 0.02 0.41 0.15 0.80 0.09 0.00 0.00 178.44 179.90 2kby n MET 28 N -4.18 0.09 0.06 1.13 1.56 -0.17 -0.08 117.12 115.54 2kby n MET 28 Ca -0.01 0.56 0.05 0.00 -0.27 0.00 0.00 57.70 58.03 2kby n MET 28 Cb 0.35 -1.95 -0.05 0.00 2.15 0.00 0.00 33.22 33.72 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 -2.01 0.62 -0.05 2.12 0.28 -0.97 -3.93 120.64 116.71 2kby n GLU 29 Ca -0.01 0.17 0.12 0.00 -0.16 0.00 0.00 57.16 57.28 2kby n GLU 29 Cb 0.17 -1.81 0.44 0.00 1.43 0.00 0.00 31.44 31.67 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 -2.78 1.58 -4.65 -1.84 -0.00 0.88 -4.78 117.00 105.41 2kby n LEU 30 Ca -0.05 -0.61 -0.37 0.00 -0.00 0.00 0.00 56.01 54.98 2kby n LEU 30 Cb 0.71 -0.06 -0.10 0.00 -0.00 0.00 0.00 43.42 43.97 2kby n LEU 30 CO 0.42 0.30 -0.15 0.54 -0.00 0.00 0.00 177.39 178.50 2kby s VAL 31 N -1.88 5.34 -0.11 1.47 0.11 -1.14 -5.03 120.40 119.16 2kby s VAL 31 Ca 0.35 0.21 -0.41 0.00 -2.93 0.00 0.00 61.98 59.20 2kby s VAL 31 Cb 0.19 -3.52 -0.20 0.00 -1.53 0.00 0.00 36.38 31.32 2kby s VAL 31 CO 0.29 0.32 1.17 -2.65 -3.33 0.00 0.00 175.10 170.90 2kby n PRO 32 N 4.47 0.00 -0.15 1.54 -0.02 -1.26 -4.75 135.00 134.83 2kby n PRO 32 Ca -0.14 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.30 2kby n PRO 32 Cb 0.52 -1.48 0.03 0.00 -0.02 0.00 0.00 33.50 32.55 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 3.40 -0.05 -0.33 -0.52 5.75 -1.94 -0.93 115.11 120.50 2kby h GLN 33 Ca -0.49 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.11 2kby h GLN 33 Cb 1.39 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 2kby h GLN 33 CO 0.71 -0.03 0.27 -1.00 -2.65 0.00 0.00 178.83 176.13 2kby h PRO 34 N -0.05 0.00 0.05 -2.39 0.13 -2.00 -0.43 132.00 127.31 2kby h PRO 34 Ca 0.23 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.12 2kby h PRO 34 Cb 0.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 2kby h PRO 34 CO -0.51 0.00 -1.05 1.25 -0.23 0.00 0.00 178.00 177.46 2kby h LEU 35 N 0.00 0.31 -0.34 1.56 5.85 -1.52 -2.85 115.31 118.31 2kby h LEU 35 Ca 0.16 -0.29 -0.18 0.00 0.84 0.00 0.00 57.88 58.41 2kby h LEU 35 Cb 0.70 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2kby h LEU 35 CO -0.00 1.17 -0.50 0.58 -0.34 0.00 0.00 178.44 179.35 2kby h VAL 36 N 0.09 1.27 -0.65 1.05 2.07 -0.69 -2.70 116.25 116.69 2kby h VAL 36 Ca -0.08 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 65.80 2kby h VAL 36 Cb 1.74 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 2kby h VAL 36 CO 0.16 0.55 0.40 -0.78 0.02 0.00 0.00 177.57 177.92 2kby h ASP 37 N 0.69 0.64 -0.60 0.57 3.58 -1.24 -0.18 116.42 119.87 2kby h ASP 37 Ca 0.03 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.50 2kby h ASP 37 Cb 1.10 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.99 2kby h ASP 37 CO 0.11 0.44 0.39 -1.28 -2.88 0.00 0.00 179.24 176.02 2kby h SER 38 N 0.77 0.66 -0.52 2.28 0.87 -1.40 -2.17 113.55 114.05 2kby h SER 38 Ca 0.27 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2kby h SER 38 Cb 0.05 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 2kby h SER 38 CO -0.12 0.47 0.30 0.22 -0.53 0.00 0.00 176.83 177.17 2kby h TYR 39 N 0.78 0.69 -0.65 2.24 3.20 -1.06 -2.04 116.97 120.14 2kby h TYR 39 Ca 0.23 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.21 2kby h TYR 39 Cb -0.05 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 37.96 2kby h TYR 39 CO -0.04 0.50 0.44 -0.09 -1.64 0.00 0.00 178.16 177.32 2kby h ARG 40 N 0.69 0.36 0.06 1.82 2.43 -0.55 0.80 114.38 119.98 2kby h ARG 40 Ca 0.18 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2kby h ARG 40 Cb 0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2kby h ARG 40 CO -0.03 0.24 -0.03 0.37 -1.51 0.00 0.00 179.97 179.01 2kby h GLN 41 N 0.37 -0.08 0.00 0.20 5.75 -0.76 0.48 115.11 121.07 2kby h GLN 41 Ca 0.31 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.80 2kby h GLN 41 Cb 0.70 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.27 2kby h GLN 41 CO -0.08 0.20 -0.07 0.37 -2.65 0.00 0.00 178.83 176.59 2kby h GLN 42 N -0.35 0.00 0.06 1.69 4.15 -0.86 -2.18 115.11 117.62 2kby h GLN 42 Ca -0.01 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.20 2kby h GLN 42 Cb 0.31 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.02 2kby h GLN 42 CO 0.01 0.07 -0.85 0.37 -1.93 0.00 0.00 178.83 176.50 2kby h GLN 43 N 0.00 0.47 0.00 1.69 -0.00 -0.60 -3.20 115.11 113.48 2kby h GLN 43 Ca -0.00 -0.59 -0.01 0.00 -0.00 0.00 0.00 58.65 58.05 2kby h GLN 43 Cb 0.18 0.19 -0.00 0.00 0.00 0.00 0.00 27.48 27.84 2kby h GLN 43 CO 0.01 1.23 -0.06 0.37 0.00 0.00 0.00 178.83 180.37 2kby h GLN 44 N -0.01 0.00 -0.30 1.69 5.75 -0.35 -2.39 115.11 119.49 2kby h GLN 44 Ca -0.12 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.42 2kby h GLN 44 Cb 1.57 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.08 2kby h GLN 44 CO 0.17 0.06 0.05 1.25 -2.65 0.00 0.00 178.83 177.71 2kby h LEU 45 N 0.00 -0.01 0.00 -2.39 5.85 -1.40 -3.41 115.31 113.96 2kby h LEU 45 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2kby h LEU 45 Cb 0.26 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2kby h LEU 45 CO 0.01 0.03 0.00 0.18 -0.34 0.00 0.00 178.44 178.32 2kby n LEU 46 N -5.10 0.00 -2.59 2.25 4.77 -1.06 -4.98 117.00 110.29 2kby n LEU 46 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2kby n LEU 46 Cb 0.14 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2kby n LEU 46 CO 0.25 -0.08 -0.18 1.67 -1.33 0.00 0.00 177.39 177.72 2kby n GLN 47 N -1.52 -2.57 0.00 3.23 0.00 -0.92 -5.12 117.38 110.48 2kby n GLN 47 Ca 0.00 0.91 0.00 0.00 -0.00 0.00 0.00 57.00 57.91 2kby n GLN 47 Cb 0.00 -5.61 0.00 0.00 0.00 0.00 0.00 30.24 24.63 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60