#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 -0.67 0.28 -1.26 -5.13 120.64 113.86 2kby n GLU 2 Ca 0.00 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 2kby n GLU 2 Cb 0.00 0.08 0.00 0.00 1.43 0.00 0.00 31.44 32.95 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 9.92 -1.26 -4.98 116.55 113.62 2kby n ASP 3 Ca -0.04 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.84 2kby n ASP 3 Cb 0.45 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.90 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 0.07 3.37 0.29 -3.53 2.01 -1.26 -5.04 115.64 111.54 2kby s THR 4 Ca 0.00 1.20 0.06 0.00 0.31 0.00 0.00 61.69 63.25 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 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.75 2kby s TYR 5 N -1.39 1.94 -0.15 4.92 2.02 -1.26 -5.14 117.35 118.29 2kby s TYR 5 Ca 0.53 -0.78 -0.00 0.00 -0.37 0.00 0.00 57.07 56.45 2kby s TYR 5 Cb -0.29 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 2kby s TYR 5 CO 0.37 0.19 -0.14 0.71 -1.57 0.00 0.00 175.55 175.11 2kby s TYR 6 N -3.11 2.80 -0.32 2.71 2.02 -1.26 -5.09 117.35 115.10 2kby s TYR 6 Ca 0.31 -0.87 -0.04 0.00 -0.37 0.00 0.00 57.07 56.10 2kby s TYR 6 Cb 0.05 -1.88 0.05 0.00 -0.40 0.00 0.00 41.96 39.78 2kby s TYR 6 CO 0.13 -0.37 0.06 -1.17 -1.57 0.00 0.00 175.55 172.62 2kby s LEU 7 N 0.67 4.18 -0.36 -1.29 2.96 -1.26 -5.07 118.68 118.51 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 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2kby s LEU 7 CO 0.02 -0.31 0.99 -1.58 -1.32 0.00 0.00 176.35 174.16 2kby s GLN 8 N 1.32 3.92 -0.13 1.98 0.74 -1.26 -5.01 119.66 121.23 2kby s GLN 8 Ca -0.03 0.77 0.03 0.00 0.05 0.00 0.00 55.36 56.18 2kby s GLN 8 Cb -0.20 -3.78 0.01 0.00 1.10 0.00 0.00 33.01 30.14 2kby s GLN 8 CO 0.01 -0.95 -0.22 0.08 -0.55 0.00 0.00 175.29 173.66 2kby s VAL 9 N 3.60 2.00 -0.08 1.34 1.01 -1.26 -5.12 120.40 121.89 2kby s VAL 9 Ca 0.41 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2kby s VAL 9 Cb -0.12 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2kby s VAL 9 CO 0.18 0.54 0.26 -0.60 0.00 0.00 0.00 175.10 175.48 2kby s ARG 10 N 0.71 3.74 0.00 2.72 3.00 -1.26 -4.74 118.95 123.13 2kby s ARG 10 Ca -0.10 0.09 0.00 0.00 -1.00 0.00 0.00 55.73 54.72 2kby s ARG 10 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 34.95 31.55 2kby s ARG 10 CO 0.01 0.66 0.00 0.41 0.00 0.00 0.00 175.30 176.38 2kby n GLY 11 N 2.15 -0.48 0.17 8.12 0.00 -1.26 -4.60 105.19 109.29 2kby n GLY 11 Ca -0.17 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.69 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 0.10 -0.53 1.61 9.65 -1.99 -0.97 114.38 122.25 2kby h ARG 12 Ca 0.00 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.97 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 0.06 0.12 1.49 2.80 0.00 0.00 179.97 184.44 2kby h GLU 13 N 0.10 0.25 -0.35 0.20 4.81 -2.00 0.19 114.58 117.78 2kby h GLU 13 Ca 0.19 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2kby h GLU 13 Cb 0.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2kby h GLU 13 CO -0.33 0.17 0.01 -0.91 -0.73 0.00 0.00 179.01 177.22 2kby h ASN 14 N 0.26 0.60 -0.50 1.04 2.35 -1.71 -2.42 115.58 115.20 2kby h ASN 14 Ca 0.27 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2kby h ASN 14 Cb 0.37 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 2kby h ASN 14 CO -0.34 0.76 0.27 0.15 -1.65 0.00 0.00 177.43 176.62 2kby h PHE 15 N 0.43 0.50 -0.33 1.19 3.57 -0.49 -1.31 116.94 120.49 2kby h PHE 15 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2kby h PHE 15 Cb 0.44 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2kby h PHE 15 CO 0.03 0.26 0.14 0.93 -2.23 0.00 0.00 178.31 177.44 2kby h GLU 16 N 0.53 0.49 -0.54 1.11 5.08 -0.92 0.59 114.58 120.92 2kby h GLU 16 Ca 0.22 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2kby h GLU 16 Cb 0.10 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2kby h GLU 16 CO -0.13 0.49 0.28 0.82 -1.00 0.00 0.00 179.01 179.47 2kby h ILE 17 N 0.39 1.19 -0.14 3.13 2.04 -1.20 -0.94 117.51 121.99 2kby h ILE 17 Ca 0.11 -0.50 -0.21 0.00 1.00 0.00 0.00 64.86 65.26 2kby h ILE 17 Cb 0.17 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2kby h ILE 17 CO -0.01 0.21 -0.75 -0.07 0.00 0.00 0.00 178.15 177.52 2kby h LEU 18 N 0.73 0.81 -0.08 1.44 3.38 -1.12 -2.50 115.31 117.96 2kby h LEU 18 Ca 0.19 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 2kby h LEU 18 Cb 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2kby h LEU 18 CO -0.03 1.31 0.04 -0.03 0.09 0.00 0.00 178.44 179.83 2kby h MET 19 N 0.47 0.11 -0.48 1.13 4.05 0.38 0.63 114.93 121.22 2kby h MET 19 Ca -0.04 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.40 2kby h MET 19 Cb 1.37 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.12 2kby h MET 19 CO 0.15 0.13 0.32 -0.22 0.23 0.00 0.00 176.91 177.52 2kby h LYS 20 N 0.05 0.49 -0.20 0.39 3.11 -1.22 -1.71 116.57 117.48 2kby h LYS 20 Ca 0.03 -0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.71 2kby h LYS 20 Cb 0.06 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 2kby h LYS 20 CO -0.00 0.32 -0.39 1.25 -2.81 0.00 0.00 179.45 177.82 2kby h LEU 21 N 0.51 0.69 -1.16 5.20 6.46 -0.78 -1.90 115.31 124.32 2kby h LEU 21 Ca 0.20 -0.55 0.15 0.00 -0.12 0.00 0.00 57.88 57.56 2kby h LEU 21 Cb 0.16 -0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 39.81 2kby h LEU 21 CO -0.05 1.11 0.60 0.50 -0.62 0.00 0.00 178.44 179.98 2kby h LYS 22 N 0.30 0.77 -0.37 1.25 3.64 0.11 0.32 116.57 122.58 2kby h LYS 22 Ca 0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2kby h LYS 22 Cb 0.99 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2kby h LYS 22 CO 0.09 0.51 0.12 1.49 -2.27 0.00 0.00 179.45 179.39 2kby h GLU 23 N 0.79 0.58 0.12 1.90 4.81 -1.17 -1.45 114.58 120.17 2kby h GLU 23 Ca 0.49 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2kby h GLU 23 Cb 0.69 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2kby h GLU 23 CO -0.25 0.59 -0.06 0.77 -0.73 0.00 0.00 179.01 179.33 2kby h SER 24 N 0.46 -0.14 -0.43 1.04 0.02 0.29 -1.27 113.55 113.52 2kby h SER 24 Ca 0.12 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2kby h SER 24 Cb 0.25 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2kby h SER 24 CO -0.00 0.12 0.26 -0.07 -1.14 0.00 0.00 176.83 176.00 2kby h LEU 25 N -0.41 0.51 -0.43 5.07 3.38 -0.69 -2.32 115.31 120.42 2kby h LEU 25 Ca -0.02 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 2kby h LEU 25 Cb 0.33 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2kby h LEU 25 CO 0.03 0.41 -0.11 -0.33 0.09 0.00 0.00 178.44 178.53 2kby h GLU 26 N 0.57 0.83 -0.33 1.13 5.08 -1.30 -3.11 114.58 117.44 2kby h GLU 26 Ca 0.15 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2kby h GLU 26 Cb -0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2kby h GLU 26 CO -0.03 0.95 0.13 -0.07 -1.00 0.00 0.00 179.01 178.99 2kby h LEU 27 N 0.66 0.42 -0.85 1.33 3.38 -1.06 -2.70 115.31 116.49 2kby h LEU 27 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kby h LEU 27 Cb 0.65 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kby h LEU 27 CO 0.04 0.39 0.20 0.23 0.09 0.00 0.00 178.44 179.39 2kby n MET 28 N -4.40 0.09 0.07 1.13 2.81 -0.89 -0.25 117.12 115.67 2kby n MET 28 Ca 0.02 0.55 0.06 0.00 -1.81 0.00 0.00 57.70 56.51 2kby n MET 28 Cb 0.14 -1.98 -0.04 0.00 -0.71 0.00 0.00 33.22 30.63 2kby n MET 28 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 2kby h GLU 29 N 0.00 0.00 -0.01 0.03 4.11 -1.67 -3.32 114.58 113.71 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 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2kby h GLU 29 CO 0.00 0.15 -0.06 1.47 0.07 0.00 0.00 179.01 180.63 2kby n LEU 30 N -2.79 1.24 -4.64 3.06 -0.00 0.65 -4.76 117.00 109.77 2kby n LEU 30 Ca -0.05 -0.39 -0.37 0.00 -0.00 0.00 0.00 56.01 55.21 2kby n LEU 30 Cb 0.70 -0.04 -0.10 0.00 -0.00 0.00 0.00 43.42 43.98 2kby n LEU 30 CO 0.41 0.21 -0.18 0.54 -0.00 0.00 0.00 177.39 178.38 2kby s VAL 31 N -2.14 5.32 -0.17 1.47 0.11 -1.16 -5.03 120.40 118.81 2kby s VAL 31 Ca 0.35 0.17 -0.42 0.00 -2.93 0.00 0.00 61.98 59.15 2kby s VAL 31 Cb 0.21 -3.49 -0.20 0.00 -1.53 0.00 0.00 36.38 31.37 2kby s VAL 31 CO 0.39 0.33 1.28 -2.65 -3.33 0.00 0.00 175.10 171.11 2kby n PRO 32 N 4.45 0.10 -0.23 1.54 -0.02 -1.26 -4.76 135.00 134.82 2kby n PRO 32 Ca -0.15 0.04 0.03 0.00 -2.02 0.00 0.00 63.50 61.40 2kby n PRO 32 Cb 0.52 -1.55 0.15 0.00 -0.02 0.00 0.00 33.50 32.60 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 3.87 0.25 -0.29 -0.52 5.75 -1.91 -0.35 115.11 121.90 2kby h GLN 33 Ca -0.48 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.09 2kby h GLN 33 Cb 1.40 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.88 2kby h GLN 33 CO 0.77 0.16 0.21 -1.35 -2.65 0.00 0.00 178.83 175.98 2kby h PRO 34 N 0.25 0.00 0.02 -2.39 0.11 -2.00 -0.77 132.00 127.22 2kby h PRO 34 Ca 0.37 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.27 2kby h PRO 34 Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2kby h PRO 34 CO -0.47 0.00 -0.94 1.25 -0.21 0.00 0.00 178.00 177.62 2kby h LEU 35 N 0.00 0.26 -0.34 2.35 5.85 -1.41 -2.82 115.31 119.20 2kby h LEU 35 Ca 0.14 -0.23 -0.18 0.00 0.84 0.00 0.00 57.88 58.46 2kby h LEU 35 Cb 0.56 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2kby h LEU 35 CO -0.00 1.06 -0.49 0.58 -0.34 0.00 0.00 178.44 179.25 2kby h VAL 36 N 0.09 1.27 -0.72 1.05 2.07 -0.79 -2.62 116.25 116.61 2kby h VAL 36 Ca -0.05 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 65.84 2kby h VAL 36 Cb 1.60 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.86 2kby h VAL 36 CO 0.14 0.55 0.45 0.44 0.02 0.00 0.00 177.57 179.17 2kby h ASP 37 N 0.71 0.73 -0.62 0.57 3.32 -1.21 0.03 116.42 119.95 2kby h ASP 37 Ca 0.03 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2kby h ASP 37 Cb 1.09 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 2kby h ASP 37 CO 0.11 0.49 0.40 -1.28 -1.72 0.00 0.00 179.24 177.24 2kby h SER 38 N 0.86 0.67 -0.35 6.45 0.87 -1.35 -1.73 113.55 118.97 2kby h SER 38 Ca 0.30 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2kby h SER 38 Cb 0.06 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2kby h SER 38 CO -0.13 0.47 0.18 0.22 -0.53 0.00 0.00 176.83 177.05 2kby h TYR 39 N 0.79 0.49 -0.61 2.24 3.20 -0.99 -2.40 116.97 119.70 2kby h TYR 39 Ca 0.24 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.19 2kby h TYR 39 Cb -0.04 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 2kby h TYR 39 CO -0.04 0.40 0.41 0.00 -1.64 0.00 0.00 178.16 177.29 2kby h ARG 40 N 0.44 0.40 -0.01 1.82 3.08 -0.55 -0.55 114.38 119.01 2kby h ARG 40 Ca 0.12 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 2kby h ARG 40 Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2kby h ARG 40 CO -0.02 0.27 0.00 1.96 -1.07 0.00 0.00 179.97 181.11 2kby h GLN 41 N 0.42 0.02 0.00 0.04 4.20 -0.84 0.25 115.11 119.20 2kby h GLN 41 Ca 0.28 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 2kby h GLN 41 Cb 0.55 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 2kby h GLN 41 CO -0.08 0.29 -0.05 0.37 -0.67 0.00 0.00 178.83 178.69 2kby h GLN 42 N -0.25 0.00 0.20 1.46 4.15 -0.95 -1.80 115.11 117.93 2kby h GLN 42 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.10 2kby h GLN 42 Cb 0.28 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.99 2kby h GLN 42 CO 0.00 0.05 -1.52 0.37 -1.93 0.00 0.00 178.83 175.80 2kby h GLN 43 N 0.00 0.43 0.00 1.69 4.15 -0.78 -3.26 115.11 117.34 2kby h GLN 43 Ca -0.00 -0.74 -0.01 0.00 0.77 0.00 0.00 58.65 58.67 2kby h GLN 43 Cb 0.14 0.28 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2kby h GLN 43 CO 0.01 1.34 -0.07 0.37 -1.93 0.00 0.00 178.83 178.55 2kby h GLN 44 N 0.12 0.00 -0.23 1.69 5.75 0.24 -1.06 115.11 121.61 2kby h GLN 44 Ca -0.26 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.29 2kby h GLN 44 Cb 2.11 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.62 2kby h GLN 44 CO 0.23 0.07 -0.05 1.25 -2.65 0.00 0.00 178.83 177.68 2kby h LEU 45 N 0.00 -0.20 0.00 -2.39 5.85 -1.39 -3.39 115.31 113.78 2kby h LEU 45 Ca -0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2kby h LEU 45 Cb 0.38 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2kby h LEU 45 CO 0.01 -0.07 -0.14 0.18 -0.34 0.00 0.00 178.44 178.08 2kby n LEU 46 N -5.21 0.35 -3.60 2.25 7.99 -1.12 -5.01 117.00 112.66 2kby n LEU 46 Ca -0.02 0.06 -0.26 0.00 -0.01 0.00 0.00 56.01 55.78 2kby n LEU 46 Cb 0.14 -0.38 0.05 0.00 -0.11 0.00 0.00 43.42 43.12 2kby n LEU 46 CO 0.23 -0.49 0.16 1.67 -1.51 0.00 0.00 177.39 177.45 2kby n GLN 47 N -2.85 -6.56 0.00 3.23 0.00 -0.42 -5.13 117.38 105.66 2kby n GLN 47 Ca -0.02 0.76 0.00 0.00 -0.00 0.00 0.00 57.00 57.74 2kby n GLN 47 Cb 0.07 -5.72 0.00 0.00 0.00 0.00 0.00 30.24 24.59 2kby n GLN 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60