#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdh s ILE 3 N 0.00 4.75 0.43 0.52 -0.00 -1.26 -5.07 121.20 120.56 2wdh s ILE 3 Ca 0.00 -0.48 -0.24 0.00 -0.00 0.00 0.00 60.65 59.93 2wdh s ILE 3 Cb 0.00 -3.48 -0.08 0.00 -0.00 0.00 0.00 42.46 38.90 2wdh s ILE 3 CO 0.00 -0.02 1.16 0.42 -0.00 0.00 0.00 174.94 176.50 2wdh s THR 4 N 1.62 3.16 0.24 8.37 -4.23 -1.26 -4.87 115.64 118.67 2wdh s THR 4 Ca 0.04 0.93 0.28 0.00 -1.18 0.00 0.00 61.69 61.76 2wdh s THR 4 Cb -0.18 -3.50 0.28 0.00 1.34 0.00 0.00 72.50 70.45 2wdh s THR 4 CO 0.07 0.04 1.85 0.07 -0.54 0.00 0.00 174.62 176.11 2wdh h LYS 5 N 2.38 0.00 0.03 3.99 2.10 -1.99 -1.06 116.57 122.02 2wdh h LYS 5 Ca -0.49 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2wdh h LYS 5 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2wdh h LYS 5 CO 0.61 0.00 -0.01 0.93 -2.00 0.00 0.00 179.45 178.98 2wdh h GLU 6 N 0.00 -0.04 -0.57 0.07 3.07 -1.99 -2.56 114.58 112.56 2wdh h GLU 6 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.98 2wdh h GLU 6 Cb 0.22 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.04 2wdh h GLU 6 CO 0.00 0.42 -0.04 0.93 -1.40 0.00 0.00 179.01 178.92 2wdh h GLU 7 N -0.98 0.08 -0.17 2.33 5.08 -1.64 0.74 114.58 120.02 2wdh h GLU 7 Ca -0.00 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2wdh h GLU 7 Cb 0.48 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 2wdh h GLU 7 CO 0.01 0.05 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.75 2wdh h LYS 8 N 0.08 -0.08 0.33 2.33 3.64 -1.35 -1.98 116.57 119.54 2wdh h LYS 8 Ca 0.29 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2wdh h LYS 8 Cb 0.45 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2wdh h LYS 8 CO -0.51 -0.06 -0.29 1.96 -2.27 0.00 0.00 179.45 178.28 2wdh h GLN 9 N -0.09 -0.62 -1.06 1.90 1.08 -0.64 0.21 115.11 115.90 2wdh h GLN 9 Ca 0.10 0.04 0.31 0.00 -1.45 0.00 0.00 58.65 57.64 2wdh h GLN 9 Cb 0.23 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 2wdh h GLN 9 CO -0.22 -0.41 0.76 1.57 -0.95 0.00 0.00 178.83 179.58 2wdh h LYS 10 N -0.64 0.01 0.23 1.46 5.09 -0.72 -0.75 116.57 121.25 2wdh h LYS 10 Ca -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.71 2wdh h LYS 10 Cb 0.57 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.90 2wdh h LYS 10 CO -0.04 0.00 -0.11 0.28 -2.09 0.00 0.00 179.45 177.50 2wdh h VAL 11 N 0.01 0.15 -0.57 0.07 2.07 -0.46 -3.21 116.25 114.30 2wdh h VAL 11 Ca 0.50 -0.85 0.11 0.00 0.82 0.00 0.00 66.70 67.29 2wdh h VAL 11 Cb 2.01 0.27 -0.11 0.00 -1.52 0.00 0.00 31.29 31.94 2wdh h VAL 11 CO -0.01 0.04 -0.19 0.40 0.02 0.00 0.00 177.57 177.83 2wdh h ILE 12 N -1.06 0.35 0.00 4.57 2.04 0.35 0.71 117.51 124.47 2wdh h ILE 12 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2wdh h ILE 12 Cb 0.31 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2wdh h ILE 12 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2wdh n GLN 13 N -5.42 0.68 -0.00 2.37 6.02 -0.44 -2.15 117.38 118.44 2wdh n GLN 13 Ca 0.06 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.12 2wdh n GLN 13 Cb 0.32 -1.10 -0.09 0.00 1.02 0.00 0.00 30.24 30.39 2wdh n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wdh n GLU 14 N -0.60 1.67 0.00 -1.09 4.07 0.24 -4.69 120.64 120.25 2wdh n GLU 14 Ca 0.03 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 2wdh n GLU 14 Cb 0.01 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.15 2wdh n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2wdh n PHE 15 N -1.53 0.00 -0.83 4.31 3.01 -0.92 -5.08 117.46 116.42 2wdh n PHE 15 Ca 0.01 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.14 2wdh n PHE 15 Cb 0.28 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.85 2wdh n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wdh n ALA 16 N -0.79 -3.63 1.21 4.37 0.00 -0.99 -4.57 120.51 116.11 2wdh n ALA 16 Ca 0.00 -0.77 0.13 0.00 0.00 0.00 0.00 53.44 52.80 2wdh n ALA 16 Cb 0.00 -1.56 0.30 0.00 0.00 0.00 0.00 19.45 18.19 2wdh n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdh n ARG 17 N -0.64 2.02 0.00 0.00 5.12 -1.26 -4.95 116.66 116.95 2wdh n ARG 17 Ca 0.03 -1.48 0.00 0.00 -1.93 0.00 0.00 57.85 54.47 2wdh n ARG 17 Cb 0.56 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 2wdh n ARG 17 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2wdh n PHE 18 N 0.80 0.00 -1.48 -1.55 1.16 -1.26 -5.06 117.46 110.07 2wdh n PHE 18 Ca 0.16 0.00 -0.47 0.00 -1.87 0.00 0.00 57.45 55.27 2wdh n PHE 18 Cb 0.48 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.29 2wdh n PHE 18 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 2wdh n PRO 19 N -0.07 1.09 0.00 3.97 -0.02 -1.26 -1.75 135.00 136.96 2wdh n PRO 19 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2wdh n PRO 19 Cb 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 30.88 2wdh n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdh n GLY 20 N 6.40 3.92 3.45 -1.23 0.00 -1.26 -5.08 105.19 111.38 2wdh n GLY 20 Ca 0.41 -0.97 -0.46 0.00 0.00 0.00 0.00 46.02 45.00 2wdh n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wdh n ASP 21 N 0.00 1.26 -0.09 1.61 4.64 -0.72 -4.79 116.55 118.47 2wdh n ASP 21 Ca 0.00 0.22 -0.09 0.00 -1.38 0.00 0.00 54.79 53.54 2wdh n ASP 21 Cb 0.00 -1.13 -0.13 0.00 -1.04 0.00 0.00 41.12 38.81 2wdh n ASP 21 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2wdh n THR 22 N 7.32 1.18 0.00 5.18 -2.24 -1.26 -4.65 114.28 119.81 2wdh n THR 22 Ca 0.52 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2wdh n THR 22 Cb 0.17 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2wdh n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdh n GLY 23 N 1.95 0.83 0.29 3.38 0.00 -1.26 -4.78 105.19 105.60 2wdh n GLY 23 Ca -0.28 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.77 2wdh n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wdh n SER 24 N 0.00 -1.71 0.00 1.61 2.88 -1.26 -4.12 113.62 111.01 2wdh n SER 24 Ca 0.00 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2wdh n SER 24 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 2wdh n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2wdh n THR 25 N -2.76 0.00 -0.19 2.46 -1.04 -1.26 -2.03 114.28 109.46 2wdh n THR 25 Ca -0.01 0.35 0.04 0.00 -2.04 0.00 0.00 64.05 62.40 2wdh n THR 25 Cb 0.14 -1.05 0.10 0.00 -1.82 0.00 0.00 70.33 67.69 2wdh n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2wdh n GLU 26 N -1.55 -0.05 -0.01 -2.82 -0.58 -1.26 0.81 120.64 115.19 2wdh n GLU 26 Ca 0.00 0.81 -0.13 0.00 -0.42 0.00 0.00 57.16 57.42 2wdh n GLU 26 Cb 0.00 -1.23 -0.10 0.00 -0.57 0.00 0.00 31.44 29.54 2wdh n GLU 26 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wdh h VAL 27 N 0.00 1.38 -0.97 2.62 2.07 -1.76 -2.17 116.25 117.41 2wdh h VAL 27 Ca 0.27 -1.31 0.20 0.00 0.82 0.00 0.00 66.70 66.69 2wdh h VAL 27 Cb 0.46 2.25 -0.09 0.00 -1.52 0.00 0.00 31.29 32.39 2wdh h VAL 27 CO -0.52 0.33 0.62 1.56 0.02 0.00 0.00 177.57 179.57 2wdh h GLN 28 N -0.61 0.56 0.00 1.57 4.20 0.10 0.65 115.11 121.58 2wdh h GLN 28 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2wdh h GLN 28 Cb 0.57 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2wdh h GLN 28 CO 0.01 0.37 0.00 0.28 -0.67 0.00 0.00 178.83 178.82 2wdh n VAL 29 N -4.64 0.00 -0.30 -0.54 0.31 0.17 -2.23 118.33 111.10 2wdh n VAL 29 Ca 0.22 1.02 0.05 0.00 -0.01 0.00 0.00 64.34 65.62 2wdh n VAL 29 Cb 0.66 -1.94 0.13 0.00 -0.91 0.00 0.00 33.84 31.78 2wdh n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdh h ALA 30 N -2.00 0.66 -0.43 3.52 0.00 -1.24 1.46 119.26 121.22 2wdh h ALA 30 Ca 0.00 0.32 0.09 0.00 0.00 0.00 0.00 54.91 55.32 2wdh h ALA 30 Cb 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2wdh h ALA 30 CO 0.00 -0.42 0.30 1.25 0.00 0.00 0.00 179.25 180.38 2wdh h LEU 31 N 0.02 0.17 0.02 0.00 5.85 -0.97 -1.78 115.31 118.61 2wdh h LEU 31 Ca 0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 2wdh h LEU 31 Cb 0.70 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2wdh h LEU 31 CO -0.85 0.10 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.27 2wdh h LEU 32 N 0.19 -0.02 -0.82 2.25 3.38 0.22 -3.17 115.31 117.34 2wdh h LEU 32 Ca 0.20 -0.61 0.15 0.00 0.09 0.00 0.00 57.88 57.71 2wdh h LEU 32 Cb 0.55 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2wdh h LEU 32 CO -0.03 0.76 1.01 0.74 0.09 0.00 0.00 178.44 181.01 2wdh h THR 33 N -0.97 0.03 0.10 0.22 2.02 0.65 1.05 112.91 116.01 2wdh h THR 33 Ca -0.00 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.90 2wdh h THR 33 Cb 0.63 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2wdh h THR 33 CO 0.00 0.00 -1.42 0.25 0.37 0.00 0.00 175.52 174.72 2wdh h LEU 34 N 0.00 0.33 -2.43 2.58 5.85 -1.40 -2.73 115.31 117.51 2wdh h LEU 34 Ca 0.25 -0.83 0.01 0.00 0.84 0.00 0.00 57.88 58.15 2wdh h LEU 34 Cb 2.27 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 43.19 2wdh h LEU 34 CO -0.00 1.61 0.04 0.03 -0.34 0.00 0.00 178.44 179.78 2wdh h ARG 35 N -0.36 0.00 0.17 1.25 3.08 0.10 -2.60 114.38 116.02 2wdh h ARG 35 Ca -0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 2wdh h ARG 35 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.77 2wdh h ARG 35 CO 0.03 0.00 -0.08 0.82 -1.07 0.00 0.00 179.97 179.67 2wdh h ILE 36 N 0.00 0.00 0.00 2.04 2.04 -0.92 -2.93 117.51 117.74 2wdh h ILE 36 Ca 0.02 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2wdh h ILE 36 Cb 0.09 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2wdh h ILE 36 CO -0.00 0.00 0.03 0.59 0.00 0.00 0.00 178.15 178.77 2wdh n ASN 37 N -4.19 0.00 -0.06 1.72 5.03 -1.03 0.42 115.26 117.15 2wdh n ASN 37 Ca -0.03 0.39 -0.04 0.00 0.87 0.00 0.00 54.58 55.77 2wdh n ASN 37 Cb 0.09 -0.39 -0.03 0.00 -1.02 0.00 0.00 39.78 38.43 2wdh n ASN 37 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 2wdh h ARG 38 N 0.00 0.00 -0.76 3.52 2.47 -1.52 -3.20 114.38 114.89 2wdh h ARG 38 Ca 0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2wdh h ARG 38 Cb 0.06 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.33 2wdh h ARG 38 CO 0.00 0.20 0.48 -0.07 0.56 0.00 0.00 179.97 181.13 2wdh h LEU 39 N -1.00 0.78 -0.96 3.04 3.38 -0.68 -0.65 115.31 119.22 2wdh h LEU 39 Ca -0.02 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.25 2wdh h LEU 39 Cb 0.30 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 2wdh h LEU 39 CO -0.01 0.54 0.43 -1.28 0.09 0.00 0.00 178.44 178.20 2wdh h SER 40 N 0.92 0.28 0.31 -0.43 0.87 -0.16 0.29 113.55 115.64 2wdh h SER 40 Ca 0.31 0.20 -0.33 0.00 -1.23 0.00 0.00 61.79 60.74 2wdh h SER 40 Cb 0.03 0.21 0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2wdh h SER 40 CO -0.12 -0.17 -1.56 -0.33 -0.53 0.00 0.00 176.83 174.13 2wdh h GLU 41 N 0.25 0.42 -0.36 2.24 3.07 -1.27 -2.55 114.58 116.38 2wdh h GLU 41 Ca 0.67 -0.71 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2wdh h GLU 41 Cb 1.49 0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 29.65 2wdh h GLU 41 CO -0.65 1.32 0.23 1.25 -1.40 0.00 0.00 179.01 179.76 2wdh h HIS 42 N 0.11 0.46 0.00 4.33 -0.00 0.41 -1.57 115.15 118.90 2wdh h HIS 42 Ca -0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.01 2wdh h HIS 42 Cb 2.10 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 29.34 2wdh h HIS 42 CO 0.10 0.32 -0.46 -0.07 -0.00 0.00 0.00 177.93 177.82 2wdh h LEU 43 N 0.48 0.00 -2.04 0.26 3.38 -0.65 0.26 115.31 117.00 2wdh h LEU 43 Ca 0.13 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2wdh h LEU 43 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2wdh h LEU 43 CO -0.03 0.46 0.13 0.50 0.09 0.00 0.00 178.44 179.60 2wdh h LYS 44 N 0.00 0.00 0.01 1.13 3.64 -0.85 -1.21 116.57 119.28 2wdh h LYS 44 Ca -0.00 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.97 2wdh h LYS 44 Cb 0.83 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 2wdh h LYS 44 CO 0.06 0.00 -2.40 0.28 -2.27 0.00 0.00 179.45 175.12 2wdh n VAL 45 N -4.40 1.53 -2.94 2.00 0.31 -0.81 -4.59 118.33 109.43 2wdh n VAL 45 Ca 0.01 -0.47 -0.37 0.00 -0.01 0.00 0.00 64.34 63.50 2wdh n VAL 45 Cb 0.27 -1.66 -0.01 0.00 -0.91 0.00 0.00 33.84 31.52 2wdh n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2wdh n HIS 46 N -3.74 2.90 0.29 3.52 8.25 0.86 -4.79 115.22 122.51 2wdh n HIS 46 Ca -0.48 -3.02 0.16 0.00 -0.26 0.00 0.00 57.72 54.12 2wdh n HIS 46 Cb 0.94 -1.01 0.78 0.00 1.12 0.00 0.00 29.99 31.81 2wdh n HIS 46 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2wdh h LYS 47 N 4.47 0.00 0.00 -0.41 2.10 -1.46 -0.39 116.57 120.88 2wdh h LYS 47 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 2wdh h LYS 47 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2wdh h LYS 47 CO 1.13 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 180.21 2wdh n LYS 48 N -2.71 0.13 -2.97 0.07 4.76 -1.26 -4.43 118.16 111.74 2wdh n LYS 48 Ca -0.01 0.04 -0.44 0.00 -2.87 0.00 0.00 58.31 55.03 2wdh n LYS 48 Cb 0.16 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 2wdh n LYS 48 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2wdh s ASP 49 N -2.86 6.83 0.02 4.39 2.15 -0.16 -4.87 116.67 122.17 2wdh s ASP 49 Ca 0.17 -2.51 -0.20 0.00 0.43 0.00 0.00 52.55 50.44 2wdh s ASP 49 Cb 0.18 -2.38 -0.19 0.00 -0.30 0.00 0.00 42.92 40.22 2wdh s ASP 49 CO 0.46 -0.88 1.20 0.45 -0.17 0.00 0.00 175.17 176.22 2wdh h HIS 50 N 8.04 0.51 -0.38 -5.34 3.86 -1.84 -3.27 115.15 116.72 2wdh h HIS 50 Ca 0.22 -0.22 0.07 0.00 -1.16 0.00 0.00 60.37 59.28 2wdh h HIS 50 Cb 0.96 -0.08 -0.09 0.00 1.06 0.00 0.00 27.41 29.26 2wdh h HIS 50 CO 1.12 0.96 -0.39 0.45 0.86 0.00 0.00 177.93 180.93 2wdh h HIS 51 N -0.09 -1.13 -0.65 2.45 3.86 -1.98 0.47 115.15 118.08 2wdh h HIS 51 Ca -0.02 0.06 0.14 0.00 -1.16 0.00 0.00 60.37 59.39 2wdh h HIS 51 Cb 1.00 0.55 -0.11 0.00 1.06 0.00 0.00 27.41 29.91 2wdh h HIS 51 CO 0.12 -0.43 0.01 0.77 0.86 0.00 0.00 177.93 179.27 2wdh h SER 52 N -0.32 -0.27 -0.83 2.45 0.02 -2.00 0.33 113.55 112.94 2wdh h SER 52 Ca 0.14 0.16 0.18 0.00 -0.84 0.00 0.00 61.79 61.43 2wdh h SER 52 Cb 0.57 0.28 -0.16 0.00 0.14 0.00 0.00 62.40 63.24 2wdh h SER 52 CO -0.55 -0.12 -0.15 -0.74 -1.14 0.00 0.00 176.83 174.13 2wdh h HIS 53 N 0.12 -0.34 -0.84 3.45 6.17 -0.98 0.37 115.15 123.11 2wdh h HIS 53 Ca 0.34 0.07 0.12 0.00 0.71 0.00 0.00 60.37 61.61 2wdh h HIS 53 Cb 0.57 0.28 -0.13 0.00 2.52 0.00 0.00 27.41 30.65 2wdh h HIS 53 CO -0.37 -0.35 -0.44 -0.09 0.71 0.00 0.00 177.93 177.39 2wdh h ARG 54 N 0.02 -0.08 -0.58 5.26 9.65 0.36 0.82 114.38 129.83 2wdh h ARG 54 Ca 0.42 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.42 2wdh h ARG 54 Cb 0.68 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 29.17 2wdh h ARG 54 CO -0.83 -0.05 -0.14 0.78 2.80 0.00 0.00 179.97 182.53 2wdh h GLY 55 N -0.08 0.42 0.30 2.80 0.00 -0.18 -0.98 103.07 105.35 2wdh h GLY 55 Ca 0.25 0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.85 2wdh h GLY 55 CO -0.87 -0.22 0.04 -2.00 0.00 0.00 0.00 176.54 173.50 2wdh h LEU 56 N 0.00 -0.11 -0.65 3.11 5.85 0.10 0.43 115.31 124.04 2wdh h LEU 56 Ca 0.28 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.18 2wdh h LEU 56 Cb 0.42 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 2wdh h LEU 56 CO -0.59 -0.02 0.30 -0.07 -0.34 0.00 0.00 178.44 177.72 2wdh h LEU 57 N 0.16 0.38 -0.56 2.25 3.38 0.04 0.28 115.31 121.24 2wdh h LEU 57 Ca 0.23 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2wdh h LEU 57 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2wdh h LEU 57 CO -0.35 0.22 0.21 0.24 0.09 0.00 0.00 178.44 178.85 2wdh h MET 58 N 0.53 0.85 -0.24 1.13 2.86 -0.04 0.24 114.93 120.27 2wdh h MET 58 Ca 0.32 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2wdh h MET 58 Cb 0.34 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2wdh h MET 58 CO -0.27 0.75 0.07 0.52 1.06 0.00 0.00 176.91 179.04 2wdh h MET 59 N 0.77 0.37 -0.86 1.72 2.86 0.64 -0.87 114.93 119.56 2wdh h MET 59 Ca 0.19 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2wdh h MET 59 Cb 0.23 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 2wdh h MET 59 CO -0.01 0.46 0.50 0.28 1.06 0.00 0.00 176.91 179.20 2wdh h VAL 60 N 0.21 1.24 0.31 -2.22 2.07 -0.28 -0.01 116.25 117.57 2wdh h VAL 60 Ca 0.08 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2wdh h VAL 60 Cb 0.25 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2wdh h VAL 60 CO -0.00 0.26 -0.33 1.23 0.02 0.00 0.00 177.57 178.75 2wdh h GLY 61 N 1.19 -1.07 -0.22 2.17 0.00 -0.21 -0.49 103.07 104.44 2wdh h GLY 61 Ca 0.31 0.49 0.07 0.00 0.00 0.00 0.00 47.33 48.19 2wdh h GLY 61 CO -0.05 -0.34 -0.42 -1.61 0.00 0.00 0.00 176.54 174.12 2wdh h GLN 62 N -0.64 -0.34 -0.98 4.80 5.75 -0.99 0.15 115.11 122.86 2wdh h GLN 62 Ca -0.04 0.02 0.27 0.00 -0.15 0.00 0.00 58.65 58.75 2wdh h GLN 62 Cb 0.56 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.13 2wdh h GLN 62 CO -0.05 -0.23 0.68 -0.09 -2.65 0.00 0.00 178.83 176.50 2wdh h ARG 63 N -0.35 0.14 0.54 1.69 2.43 -0.80 -1.13 114.38 116.89 2wdh h ARG 63 Ca 0.13 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2wdh h ARG 63 Cb 0.59 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2wdh h ARG 63 CO -0.54 0.09 -0.26 -0.09 -1.51 0.00 0.00 179.97 177.67 2wdh h ARG 64 N 0.14 -0.69 -0.68 0.20 2.43 0.99 -1.73 114.38 115.04 2wdh h ARG 64 Ca 0.49 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.81 2wdh h ARG 64 Cb 1.70 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 31.29 2wdh h ARG 64 CO -0.09 -0.40 -0.44 0.00 -1.51 0.00 0.00 179.97 177.53 2wdh h ARG 65 N -1.08 -0.17 0.20 0.20 -0.00 -0.59 -0.24 114.38 112.70 2wdh h ARG 65 Ca -0.07 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.43 2wdh h ARG 65 Cb 0.62 0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.59 2wdh h ARG 65 CO 0.12 -0.11 -0.38 -0.07 0.00 0.00 0.00 179.97 179.53 2wdh h LEU 66 N -0.17 -1.10 -2.18 3.04 4.07 -1.48 0.07 115.31 117.55 2wdh h LEU 66 Ca 0.20 0.11 0.02 0.00 0.08 0.00 0.00 57.88 58.30 2wdh h LEU 66 Cb 0.55 0.40 -0.00 0.00 1.08 0.00 0.00 40.66 42.69 2wdh h LEU 66 CO -0.75 -0.48 0.28 -0.07 -1.08 0.00 0.00 178.44 176.33 2wdh h LEU 67 N -0.67 0.00 0.07 1.67 3.38 -0.47 0.21 115.31 119.50 2wdh h LEU 67 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2wdh h LEU 67 Cb 0.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 2wdh h LEU 67 CO -0.17 0.00 -0.44 -0.09 0.09 0.00 0.00 178.44 177.83 2wdh h ARG 68 N 0.00 0.15 0.25 1.13 2.43 0.38 -2.40 114.38 116.31 2wdh h ARG 68 Ca 0.04 -0.26 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2wdh h ARG 68 Cb 0.59 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2wdh h ARG 68 CO -0.00 1.12 -0.38 -0.92 -1.51 0.00 0.00 179.97 178.28 2wdh h TYR 69 N -0.68 -1.08 -0.74 2.20 3.20 0.11 -1.00 116.97 118.98 2wdh h TYR 69 Ca -0.08 0.02 0.16 0.00 3.14 0.00 0.00 58.73 61.97 2wdh h TYR 69 Cb 1.33 0.44 -0.13 0.00 1.54 0.00 0.00 36.73 39.91 2wdh h TYR 69 CO 0.24 -0.47 -0.08 1.25 -1.64 0.00 0.00 178.16 177.45 2wdh h LEU 70 N -0.67 -0.49 -1.71 2.82 5.85 -0.98 0.68 115.31 120.81 2wdh h LEU 70 Ca -0.03 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.98 2wdh h LEU 70 Cb 0.61 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 2wdh h LEU 70 CO -0.12 -0.21 0.34 -0.61 -0.34 0.00 0.00 178.44 177.50 2wdh h GLN 71 N 0.05 0.33 0.16 1.25 -0.00 -0.88 -1.59 115.11 114.43 2wdh h GLN 71 Ca 0.38 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 59.00 2wdh h GLN 71 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.04 2wdh h GLN 71 CO -0.70 0.22 -0.08 -0.09 0.00 0.00 0.00 178.83 178.18 2wdh h ARG 72 N 0.34 -0.21 0.00 1.69 2.43 0.16 -3.16 114.38 115.64 2wdh h ARG 72 Ca 0.23 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2wdh h ARG 72 Cb 0.45 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2wdh h ARG 72 CO -0.05 -0.14 0.00 0.39 -1.51 0.00 0.00 179.97 178.66 2wdh n GLU 73 N -3.40 0.00 -3.94 0.20 -0.58 -0.18 -4.22 120.64 108.51 2wdh n GLU 73 Ca -0.03 0.51 -0.31 0.00 -0.42 0.00 0.00 57.16 56.91 2wdh n GLU 73 Cb 0.08 -1.22 -0.14 0.00 -0.57 0.00 0.00 31.44 29.60 2wdh n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2wdh s ASP 74 N -2.59 4.62 0.00 1.62 2.15 -0.61 -4.92 116.67 116.94 2wdh s ASP 74 Ca 0.00 -2.65 0.00 0.00 0.43 0.00 0.00 52.55 50.33 2wdh s ASP 74 Cb 0.00 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.95 2wdh s ASP 74 CO 0.00 -0.32 0.17 -0.81 -0.17 0.00 0.00 175.17 174.04 2wdh n PRO 75 N 3.63 0.21 -0.06 4.34 -0.04 -1.19 -2.51 135.00 139.37 2wdh n PRO 75 Ca 0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 2wdh n PRO 75 Cb 0.37 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 2wdh n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wdh n GLU 76 N -0.13 0.34 0.00 0.54 4.07 -1.26 -3.53 120.64 120.67 2wdh n GLU 76 Ca 0.00 0.15 0.05 0.00 -0.06 0.00 0.00 57.16 57.29 2wdh n GLU 76 Cb 0.02 -1.09 0.28 0.00 -0.06 0.00 0.00 31.44 30.60 2wdh n GLU 76 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2wdh n ARG 77 N -3.89 0.54 -0.05 5.31 1.85 -1.04 -1.74 116.66 117.64 2wdh n ARG 77 Ca -0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.58 2wdh n ARG 77 Cb 0.56 -1.27 -0.01 0.00 -1.05 0.00 0.00 32.46 30.69 2wdh n ARG 77 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2wdh n TYR 78 N -0.77 0.25 0.01 2.89 9.36 -1.15 -2.31 117.16 125.45 2wdh n TYR 78 Ca 0.07 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.40 2wdh n TYR 78 Cb 0.03 -0.42 0.02 0.00 -0.63 0.00 0.00 39.34 38.34 2wdh n TYR 78 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wdh n ARG 79 N -3.68 0.00 -0.09 2.98 1.74 -0.89 0.52 116.66 117.24 2wdh n ARG 79 Ca -0.07 0.24 -0.13 0.00 -0.77 0.00 0.00 57.85 57.13 2wdh n ARG 79 Cb 0.24 -1.80 -0.08 0.00 -1.02 0.00 0.00 32.46 29.80 2wdh n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdh n ALA 80 N -1.24 1.61 0.12 7.54 0.00 -0.71 -4.39 120.51 123.44 2wdh n ALA 80 Ca -0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.58 2wdh n ALA 80 Cb 0.29 0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.77 2wdh n ALA 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdh h LEU 81 N -0.00 -0.32 -1.85 0.00 5.85 0.49 0.16 115.31 119.64 2wdh h LEU 81 Ca -0.40 -0.15 0.34 0.00 0.84 0.00 0.00 57.88 58.51 2wdh h LEU 81 Cb 1.62 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.67 2wdh h LEU 81 CO -0.06 0.17 0.85 -0.29 -0.34 0.00 0.00 178.44 178.76 2wdh h ILE 82 N -1.00 0.40 0.13 4.05 -0.00 -1.44 -0.46 117.51 119.17 2wdh h ILE 82 Ca -0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 64.86 64.79 2wdh h ILE 82 Cb 0.45 0.31 0.00 0.00 -0.00 0.00 0.00 36.82 37.58 2wdh h ILE 82 CO 0.06 0.01 -0.06 -0.08 -0.00 0.00 0.00 178.15 178.09 2wdh h GLU 83 N 0.08 -0.16 -1.10 2.19 4.22 -1.70 0.20 114.58 118.31 2wdh h GLU 83 Ca 0.60 0.01 0.36 0.00 0.08 0.00 0.00 59.36 60.41 2wdh h GLU 83 Cb 2.21 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 31.36 2wdh h GLU 83 CO -0.08 -0.10 0.66 0.87 -2.18 0.00 0.00 179.01 178.17 2wdh h LYS 84 N -1.04 0.23 0.00 1.92 1.57 0.46 0.87 116.57 120.57 2wdh h LYS 84 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2wdh h LYS 84 Cb 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wdh h LYS 84 CO 0.03 0.15 -0.58 1.28 -0.57 0.00 0.00 179.45 179.76 2wdh n LEU 85 N -4.92 0.61 -2.88 2.94 4.77 -0.32 -5.01 117.00 112.20 2wdh n LEU 85 Ca 0.33 0.17 -0.03 0.00 -0.03 0.00 0.00 56.01 56.45 2wdh n LEU 85 Cb 1.13 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 2wdh n LEU 85 CO 0.14 -0.00 0.21 0.61 -1.33 0.00 0.00 177.39 177.02 2wdh n GLY 86 N 1.39 -1.22 0.00 -0.72 0.00 0.30 -5.06 105.19 99.88 2wdh n GLY 86 Ca 0.04 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.80 2wdh n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wdh n ILE 87 N -1.14 0.00 -2.89 -0.61 5.41 -0.06 -5.02 119.36 115.06 2wdh n ILE 87 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.78 2wdh n ILE 87 Cb 0.47 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.38 2wdh n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wdh n ARG 88 N 0.00 -2.58 0.00 0.38 1.74 -1.26 -4.94 116.66 110.00 2wdh n ARG 88 Ca 0.00 2.14 0.02 0.00 -0.77 0.00 0.00 57.85 59.24 2wdh n ARG 88 Cb 0.00 -2.84 0.02 0.00 -1.02 0.00 0.00 32.46 28.62 2wdh n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52