#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwx n VAL 2 N 0.00 4.71 0.06 0.44 0.24 -1.26 -4.44 118.33 118.09 1bwx n VAL 2 Ca 0.00 -4.98 0.00 0.00 -2.04 0.00 0.00 64.34 57.32 1bwx n VAL 2 Cb 0.00 -2.26 0.00 0.00 -1.47 0.00 0.00 33.84 30.11 1bwx n VAL 2 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1bwx n SER 3 N 2.96 0.04 0.02 -1.34 3.41 -1.26 -4.93 113.62 112.52 1bwx n SER 3 Ca 0.34 0.21 -0.22 0.00 -0.26 0.00 0.00 58.87 58.95 1bwx n SER 3 Cb 0.35 0.13 -0.14 0.00 -0.26 0.00 0.00 64.21 64.29 1bwx n SER 3 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1bwx h GLU 4 N 0.00 0.27 -6.48 4.33 -0.00 -2.09 -3.49 114.58 107.13 1bwx h GLU 4 Ca 0.00 -0.47 -0.50 0.00 -0.00 0.00 0.00 59.36 58.40 1bwx h GLU 4 Cb 0.11 0.17 -0.04 0.00 -0.00 0.00 0.00 28.75 29.00 1bwx h GLU 4 CO 0.00 1.22 -0.90 -0.89 -0.00 0.00 0.00 179.01 178.44 1bwx n ILE 5 N -3.86 -3.40 0.00 -1.06 -0.00 -1.26 -4.84 119.36 104.94 1bwx n ILE 5 Ca -0.25 -0.57 0.00 0.00 -0.00 0.00 0.00 62.75 61.93 1bwx n ILE 5 Cb 0.93 -2.85 0.00 0.00 -0.00 0.00 0.00 39.64 37.73 1bwx n ILE 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bwx n GLN 6 N -4.40 0.00 -0.23 0.38 10.64 -1.26 -4.74 117.38 117.77 1bwx n GLN 6 Ca -0.28 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 54.82 1bwx n GLN 6 Cb 0.67 -0.23 0.04 0.00 -0.86 0.00 0.00 30.24 29.85 1bwx n GLN 6 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1bwx h LEU 7 N 0.00 0.93 -0.84 2.61 7.12 -1.91 -1.75 115.31 121.47 1bwx h LEU 7 Ca 0.00 -0.20 -0.04 0.00 0.13 0.00 0.00 57.88 57.77 1bwx h LEU 7 Cb 0.00 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 39.85 1bwx h LEU 7 CO 0.00 0.87 0.34 -0.03 -0.13 0.00 0.00 178.44 179.50 1bwx h MET 8 N 0.93 1.19 -0.45 1.25 4.05 -1.97 -1.67 114.93 118.25 1bwx h MET 8 Ca 0.21 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1bwx h MET 8 Cb 0.27 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1bwx h MET 8 CO -0.01 0.95 0.22 1.25 0.23 0.00 0.00 176.91 179.54 1bwx h HIS 9 N 1.16 0.65 -1.84 1.39 -0.00 -1.77 -2.94 115.15 111.81 1bwx h HIS 9 Ca 0.27 -0.03 -0.74 0.00 -0.00 0.00 0.00 60.37 59.87 1bwx h HIS 9 Cb 0.19 -0.20 -0.29 0.00 -0.00 0.00 0.00 27.41 27.10 1bwx h HIS 9 CO 0.02 0.53 0.78 0.09 -0.00 0.00 0.00 177.93 179.35 1bwx n ASN 10 N -4.65 7.13 -4.32 3.26 3.02 -0.69 -4.93 115.26 114.09 1bwx n ASN 10 Ca 0.01 -3.82 -0.46 0.00 -0.03 0.00 0.00 54.58 50.28 1bwx n ASN 10 Cb 0.12 -0.97 -0.05 0.00 -0.61 0.00 0.00 39.78 38.27 1bwx n ASN 10 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1bwx s LEU 11 N -3.98 6.20 0.17 3.41 2.96 -0.66 -4.79 118.68 121.98 1bwx s LEU 11 Ca 0.52 -1.88 0.00 0.00 -0.22 0.00 0.00 54.13 52.55 1bwx s LEU 11 Cb 0.44 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1bwx s LEU 11 CO -0.35 -0.84 0.00 0.61 -1.32 0.00 0.00 176.35 174.45 1bwx n GLY 12 N 5.09 -0.20 5.00 7.98 0.00 -1.26 -4.67 105.19 117.12 1bwx n GLY 12 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1bwx n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwx n LYS 13 N -3.21 0.00 -0.07 1.61 4.01 -1.26 -2.89 118.16 116.36 1bwx n LYS 13 Ca 0.00 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.67 1bwx n LYS 13 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 1bwx n LYS 13 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1bwx n HIS 14 N 0.00 0.46 -3.63 2.13 -0.00 -1.26 -4.98 115.22 107.94 1bwx n HIS 14 Ca 0.00 0.14 -0.04 0.00 0.46 0.00 0.00 57.72 58.27 1bwx n HIS 14 Cb 0.00 -1.08 -0.06 0.00 -0.12 0.00 0.00 29.99 28.73 1bwx n HIS 14 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1bwx s LEU 15 N -6.11 -0.91 0.31 0.27 1.98 -1.14 -4.88 118.68 108.21 1bwx s LEU 15 Ca -0.16 1.38 0.00 0.00 -2.89 0.00 0.00 54.13 52.46 1bwx s LEU 15 Cb 0.07 2.23 0.00 0.00 0.66 0.00 0.00 46.19 49.15 1bwx s LEU 15 CO 0.77 -0.21 0.00 -3.20 -1.89 0.00 0.00 176.35 171.82 1bwx n ASN 16 N 4.53 -2.64 0.11 3.68 2.85 -1.26 -4.24 115.26 118.29 1bwx n ASN 16 Ca -0.17 0.59 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 1bwx n ASN 16 Cb 0.56 2.61 0.00 0.00 1.24 0.00 0.00 39.78 44.19 1bwx n ASN 16 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1bwx n SER 17 N -3.14 -0.58 0.23 1.20 3.41 -1.26 -4.70 113.62 108.78 1bwx n SER 17 Ca 0.00 0.38 0.08 0.00 -0.26 0.00 0.00 58.87 59.07 1bwx n SER 17 Cb 0.00 0.70 0.55 0.00 -0.26 0.00 0.00 64.21 65.20 1bwx n SER 17 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1bwx h MET 18 N 0.00 0.00 0.05 4.33 4.05 -1.99 -2.28 114.93 119.09 1bwx h MET 18 Ca 0.00 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.19 1bwx h MET 18 Cb 0.00 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1bwx h MET 18 CO 0.00 0.22 -1.08 0.93 0.23 0.00 0.00 176.91 177.21 1bwx h GLU 19 N 0.00 0.11 -1.01 0.39 3.07 -1.89 -3.32 114.58 111.93 1bwx h GLU 19 Ca -0.00 -0.19 -0.54 0.00 -0.50 0.00 0.00 59.36 58.13 1bwx h GLU 19 Cb 0.48 0.07 -0.29 0.00 -0.84 0.00 0.00 28.75 28.16 1bwx h GLU 19 CO 0.03 1.07 0.69 2.89 -1.40 0.00 0.00 179.01 182.29 1bwx n ARG 20 N -3.44 2.30 0.03 2.33 1.85 -0.88 -3.61 116.66 115.23 1bwx n ARG 20 Ca -0.03 -2.97 0.00 0.00 -1.00 0.00 0.00 57.85 53.85 1bwx n ARG 20 Cb 0.96 -2.16 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 1bwx n ARG 20 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1bwx n VAL 21 N -1.03 0.51 -0.02 8.89 3.14 -1.07 -4.48 118.33 124.28 1bwx n VAL 21 Ca 0.59 0.17 -0.06 0.00 -2.96 0.00 0.00 64.34 62.08 1bwx n VAL 21 Cb 1.41 -1.44 0.14 0.00 -1.06 0.00 0.00 33.84 32.89 1bwx n VAL 21 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1bwx h GLU 22 N 0.00 0.58 -0.50 1.45 4.57 -1.77 0.11 114.58 119.01 1bwx h GLU 22 Ca 0.00 -0.25 0.10 0.00 -1.18 0.00 0.00 59.36 58.03 1bwx h GLU 22 Cb 0.49 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.97 1bwx h GLU 22 CO 0.00 0.82 -0.13 2.35 -1.18 0.00 0.00 179.01 180.87 1bwx h TRP 23 N 0.49 -0.28 0.04 0.92 7.01 -1.85 0.16 115.95 122.46 1bwx h TRP 23 Ca 0.06 0.05 -0.26 0.00 2.11 0.00 0.00 58.89 60.85 1bwx h TRP 23 Cb 0.78 0.20 0.01 0.00 -2.10 0.00 0.00 29.16 28.06 1bwx h TRP 23 CO 0.03 -0.22 -1.07 -0.07 -2.79 0.00 0.00 178.44 174.32 1bwx h LEU 24 N -0.00 0.67 -1.61 0.65 -0.00 -1.72 -3.20 115.31 110.10 1bwx h LEU 24 Ca 0.24 -0.57 -0.03 0.00 -0.00 0.00 0.00 57.88 57.51 1bwx h LEU 24 Cb 0.37 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 1bwx h LEU 24 CO -0.52 1.39 -0.12 0.03 -0.00 0.00 0.00 178.44 179.21 1bwx h ARG 25 N 0.25 0.10 -1.32 1.13 3.08 -0.02 -1.90 114.38 115.70 1bwx h ARG 25 Ca -0.12 -0.02 -0.66 0.00 0.07 0.00 0.00 59.98 59.25 1bwx h ARG 25 Cb 1.73 -0.02 -0.34 0.00 0.08 0.00 0.00 29.97 31.42 1bwx h ARG 25 CO 0.19 0.23 0.23 1.17 -1.07 0.00 0.00 179.97 180.73 1bwx n LYS 26 N -4.34 3.06 0.11 0.04 3.00 0.50 -3.72 118.16 116.81 1bwx n LYS 26 Ca -0.02 -3.79 0.00 0.00 -0.00 0.00 0.00 58.31 54.50 1bwx n LYS 26 Cb 0.22 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 32.98 1bwx n LYS 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1bwx n LYS 27 N -0.68 0.00 0.07 1.64 3.00 -0.96 -4.85 118.16 116.37 1bwx n LYS 27 Ca 0.52 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.63 1bwx n LYS 27 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.54 1bwx n LYS 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1bwx h LEU 28 N 0.00 0.82 -1.93 3.14 3.38 -1.59 -3.21 115.31 115.92 1bwx h LEU 28 Ca 0.00 -0.70 0.06 0.00 0.09 0.00 0.00 57.88 57.33 1bwx h LEU 28 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1bwx h LEU 28 CO 0.00 1.51 0.20 1.56 0.09 0.00 0.00 178.44 181.79 1bwx h GLN 29 N 0.32 0.08 -0.30 1.13 4.20 -1.73 -1.88 115.11 116.93 1bwx h GLN 29 Ca -0.14 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 1bwx h GLN 29 Cb 1.76 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.52 1bwx h GLN 29 CO 0.21 0.06 -0.18 -0.44 -0.67 0.00 0.00 178.83 177.81 1bwx h ASP 30 N 0.09 0.67 0.00 1.46 5.19 -1.82 -3.45 116.42 118.55 1bwx h ASP 30 Ca 0.13 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1bwx h ASP 30 Cb 0.41 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1bwx h ASP 30 CO -0.01 0.95 0.00 0.52 -3.12 0.00 0.00 179.24 177.57 1bwx n VAL 31 N -4.37 0.00 -4.05 -1.35 0.31 -0.76 -4.89 118.33 103.21 1bwx n VAL 31 Ca -0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.94 1bwx n VAL 31 Cb 0.40 -0.04 -0.02 0.00 -0.91 0.00 0.00 33.84 33.27 1bwx n VAL 31 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1bwx n HIS 32 N -0.09 -1.49 -3.34 3.52 -0.00 -0.88 -2.02 115.22 110.91 1bwx n HIS 32 Ca 0.00 0.43 -0.18 0.00 -0.00 0.00 0.00 57.72 57.96 1bwx n HIS 32 Cb 0.00 -3.10 0.06 0.00 -0.00 0.00 0.00 29.99 26.95 1bwx n HIS 32 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1bwx n ASN 33 N -2.63 -6.39 0.24 0.26 2.85 -1.26 -4.90 115.26 103.43 1bwx n ASN 33 Ca -0.21 -0.77 0.09 0.00 -0.11 0.00 0.00 54.58 53.57 1bwx n ASN 33 Cb 0.63 -4.80 0.59 0.00 1.24 0.00 0.00 39.78 37.44 1bwx n ASN 33 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 1bwx h PHE 34 N -1.23 0.00 -0.18 1.20 -5.15 -1.75 -2.68 116.94 107.15 1bwx h PHE 34 Ca -0.61 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.08 1bwx h PHE 34 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.47 1bwx h PHE 34 CO 0.31 0.18 -0.23 -0.24 -2.00 0.00 0.00 178.31 176.33 1bwx h VAL 35 N 0.00 1.24 -2.74 0.88 3.04 -1.90 -3.39 116.25 113.38 1bwx h VAL 35 Ca -0.00 -1.10 -0.54 0.00 -1.01 0.00 0.00 66.70 64.04 1bwx h VAL 35 Cb 0.39 1.35 -0.40 0.00 -2.01 0.00 0.00 31.29 30.63 1bwx h VAL 35 CO 0.02 0.34 -0.80 0.00 -1.01 0.00 0.00 177.57 176.13 1bwx s ALA 36 N -4.53 0.68 -0.18 3.17 0.00 -1.01 -5.12 121.76 114.77 1bwx s ALA 36 Ca -0.06 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 1bwx s ALA 36 Cb 0.14 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.82 1bwx s ALA 36 CO 0.76 -1.76 1.02 -1.17 0.00 0.00 0.00 175.76 174.61 1bwx s LEU 37 N 1.86 4.16 -1.02 0.00 0.20 -1.24 -4.86 118.68 117.79 1bwx s LEU 37 Ca 0.11 1.43 -0.02 0.00 0.69 0.00 0.00 54.13 56.34 1bwx s LEU 37 Cb -0.18 -3.53 0.32 0.00 -0.43 0.00 0.00 46.19 42.37 1bwx s LEU 37 CO -0.28 -0.57 1.67 0.61 -0.29 0.00 0.00 176.35 177.49 1bwx n GLY 38 N 3.24 5.81 0.00 7.98 0.00 -1.26 -5.17 105.19 115.79 1bwx n GLY 38 Ca 0.10 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.50 1bwx n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32