#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg s ILE 3 N 0.00 4.63 0.43 0.52 -0.00 -1.26 -5.07 121.20 120.45 2wdg s ILE 3 Ca 0.00 -0.56 -0.24 0.00 -0.00 0.00 0.00 60.65 59.85 2wdg s ILE 3 Cb 0.00 -3.43 -0.08 0.00 -0.00 0.00 0.00 42.46 38.95 2wdg s ILE 3 CO 0.00 -0.04 1.18 0.42 -0.00 0.00 0.00 174.94 176.50 2wdg s THR 4 N 1.60 3.07 0.20 8.37 -4.23 -1.26 -4.87 115.64 118.52 2wdg s THR 4 Ca 0.04 0.85 0.27 0.00 -1.18 0.00 0.00 61.69 61.67 2wdg s THR 4 Cb -0.18 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.48 2wdg s THR 4 CO 0.07 0.03 1.80 0.07 -0.54 0.00 0.00 174.62 176.05 2wdg h LYS 5 N 2.31 0.00 0.04 3.99 2.10 -1.99 -1.29 116.57 121.73 2wdg h LYS 5 Ca -0.49 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2wdg h LYS 5 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2wdg h LYS 5 CO 0.61 0.00 -0.02 0.93 -2.00 0.00 0.00 179.45 178.97 2wdg h GLU 6 N 0.00 -0.05 -0.57 0.07 3.07 -1.99 -2.56 114.58 112.54 2wdg h GLU 6 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.98 2wdg h GLU 6 Cb 0.23 0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 28.05 2wdg h GLU 6 CO 0.00 0.32 -0.10 0.93 -1.40 0.00 0.00 179.01 178.76 2wdg h GLU 7 N -0.99 0.03 -0.16 2.33 5.08 -1.69 0.11 114.58 119.28 2wdg h GLU 7 Ca -0.01 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2wdg h GLU 7 Cb 0.39 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2wdg h GLU 7 CO 0.01 0.02 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.68 2wdg h LYS 8 N 0.03 -0.15 0.27 2.33 3.64 -1.38 -1.79 116.57 119.52 2wdg h LYS 8 Ca 0.28 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2wdg h LYS 8 Cb 0.44 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2wdg h LYS 8 CO -0.56 -0.10 -0.28 1.96 -2.27 0.00 0.00 179.45 178.20 2wdg h GLN 9 N -0.15 -0.56 -0.98 1.90 1.08 -0.58 0.18 115.11 115.99 2wdg h GLN 9 Ca 0.10 0.04 0.29 0.00 -1.45 0.00 0.00 58.65 57.63 2wdg h GLN 9 Cb 0.30 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 2wdg h GLN 9 CO -0.26 -0.38 0.72 1.57 -0.95 0.00 0.00 178.83 179.54 2wdg h LYS 10 N -0.58 0.00 0.21 1.46 5.09 -0.59 -0.80 116.57 121.36 2wdg h LYS 10 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 2wdg h LYS 10 Cb 0.54 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.87 2wdg h LYS 10 CO -0.06 0.00 -0.10 0.28 -2.09 0.00 0.00 179.45 177.48 2wdg h VAL 11 N 0.00 0.16 -0.61 0.07 2.07 -0.32 -3.22 116.25 114.40 2wdg h VAL 11 Ca 0.47 -0.87 0.12 0.00 0.82 0.00 0.00 66.70 67.24 2wdg h VAL 11 Cb 1.90 0.28 -0.12 0.00 -1.52 0.00 0.00 31.29 31.84 2wdg h VAL 11 CO -0.00 0.05 -0.20 0.40 0.02 0.00 0.00 177.57 177.83 2wdg h ILE 12 N -1.05 0.32 0.00 4.57 2.04 0.31 0.77 117.51 124.47 2wdg h ILE 12 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2wdg h ILE 12 Cb 0.30 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2wdg h ILE 12 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2wdg n GLN 13 N -5.44 0.68 -0.00 2.37 6.02 -0.47 -2.04 117.38 118.49 2wdg n GLN 13 Ca 0.07 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.13 2wdg n GLN 13 Cb 0.34 -1.09 -0.09 0.00 1.02 0.00 0.00 30.24 30.41 2wdg n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wdg n GLU 14 N -0.59 1.72 0.00 -1.09 4.07 0.27 -4.69 120.64 120.33 2wdg n GLU 14 Ca 0.03 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 2wdg n GLU 14 Cb 0.01 -1.23 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 2wdg n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2wdg n PHE 15 N -1.54 0.00 -0.82 4.31 3.01 -0.87 -5.08 117.46 116.46 2wdg n PHE 15 Ca 0.01 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.13 2wdg n PHE 15 Cb 0.27 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.85 2wdg n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wdg n ALA 16 N -0.81 -3.52 1.23 4.37 0.00 -0.96 -4.57 120.51 116.25 2wdg n ALA 16 Ca 0.00 -0.76 0.13 0.00 0.00 0.00 0.00 53.44 52.81 2wdg n ALA 16 Cb 0.00 -1.59 0.31 0.00 0.00 0.00 0.00 19.45 18.17 2wdg n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdg n ARG 17 N -0.81 2.00 0.00 0.00 5.12 -1.26 -4.95 116.66 116.76 2wdg n ARG 17 Ca 0.04 -1.46 0.00 0.00 -1.93 0.00 0.00 57.85 54.50 2wdg n ARG 17 Cb 0.56 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 2wdg n ARG 17 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2wdg n PHE 18 N 0.77 0.00 -1.49 -1.55 1.16 -1.26 -5.06 117.46 110.03 2wdg n PHE 18 Ca 0.17 0.00 -0.46 0.00 -1.87 0.00 0.00 57.45 55.28 2wdg n PHE 18 Cb 0.48 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.28 2wdg n PHE 18 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 2wdg n PRO 19 N -0.08 1.09 0.00 3.97 -0.02 -1.26 -1.85 135.00 136.85 2wdg n PRO 19 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2wdg n PRO 19 Cb 0.00 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 30.83 2wdg n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdg n GLY 20 N 6.35 3.96 3.44 -1.23 0.00 -1.26 -5.08 105.19 111.36 2wdg n GLY 20 Ca 0.41 -0.95 -0.48 0.00 0.00 0.00 0.00 46.02 45.00 2wdg n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wdg n ASP 21 N 0.00 1.44 -0.08 1.61 4.64 -0.77 -4.79 116.55 118.60 2wdg n ASP 21 Ca 0.00 0.26 -0.08 0.00 -1.38 0.00 0.00 54.79 53.59 2wdg n ASP 21 Cb 0.00 -1.16 -0.13 0.00 -1.04 0.00 0.00 41.12 38.79 2wdg n ASP 21 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2wdg n THR 22 N 7.27 1.12 0.00 5.18 -2.24 -1.26 -4.65 114.28 119.71 2wdg n THR 22 Ca 0.49 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2wdg n THR 22 Cb 0.18 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2wdg n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdg n GLY 23 N 2.02 0.84 0.24 3.38 0.00 -1.26 -4.77 105.19 105.64 2wdg n GLY 23 Ca -0.27 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.78 2wdg n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wdg n SER 24 N 0.00 -1.43 0.00 1.61 2.88 -1.26 -4.15 113.62 111.27 2wdg n SER 24 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2wdg n SER 24 Cb 0.00 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2wdg n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2wdg n THR 25 N -2.69 0.00 -0.20 2.46 -1.04 -1.26 -2.14 114.28 109.41 2wdg n THR 25 Ca -0.01 0.41 0.06 0.00 -2.04 0.00 0.00 64.05 62.47 2wdg n THR 25 Cb 0.11 -1.23 0.12 0.00 -1.82 0.00 0.00 70.33 67.52 2wdg n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2wdg n GLU 26 N -1.73 -0.05 -0.02 -2.82 -0.58 -1.26 0.69 120.64 114.87 2wdg n GLU 26 Ca 0.00 0.85 -0.13 0.00 -0.42 0.00 0.00 57.16 57.46 2wdg n GLU 26 Cb 0.00 -1.31 -0.11 0.00 -0.57 0.00 0.00 31.44 29.45 2wdg n GLU 26 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wdg h VAL 27 N 0.00 1.46 -0.95 2.62 2.07 -1.77 -2.15 116.25 117.54 2wdg h VAL 27 Ca 0.30 -1.44 0.19 0.00 0.82 0.00 0.00 66.70 66.58 2wdg h VAL 27 Cb 0.55 2.42 -0.08 0.00 -1.52 0.00 0.00 31.29 32.66 2wdg h VAL 27 CO -0.55 0.37 0.61 1.56 0.02 0.00 0.00 177.57 179.57 2wdg h GLN 28 N -0.64 0.56 0.00 1.57 4.20 0.79 0.76 115.11 122.37 2wdg h GLN 28 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2wdg h GLN 28 Cb 0.62 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2wdg h GLN 28 CO 0.00 0.37 0.00 0.28 -0.67 0.00 0.00 178.83 178.82 2wdg n VAL 29 N -4.61 0.00 -0.30 -0.54 0.31 0.27 -2.29 118.33 111.17 2wdg n VAL 29 Ca 0.21 1.02 0.05 0.00 -0.01 0.00 0.00 64.34 65.60 2wdg n VAL 29 Cb 0.62 -1.95 0.13 0.00 -0.91 0.00 0.00 33.84 31.73 2wdg n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdg h ALA 30 N -2.00 0.64 -0.41 3.52 0.00 -1.21 1.21 119.26 121.00 2wdg h ALA 30 Ca 0.00 0.33 0.09 0.00 0.00 0.00 0.00 54.91 55.33 2wdg h ALA 30 Cb 0.00 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2wdg h ALA 30 CO 0.00 -0.41 0.29 1.25 0.00 0.00 0.00 179.25 180.37 2wdg h LEU 31 N 0.01 0.14 0.01 0.00 5.85 -0.95 -1.76 115.31 118.61 2wdg h LEU 31 Ca 0.43 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 2wdg h LEU 31 Cb 0.69 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2wdg h LEU 31 CO -0.87 0.09 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.24 2wdg h LEU 32 N 0.16 -0.01 -1.04 2.25 3.38 0.17 -3.17 115.31 117.05 2wdg h LEU 32 Ca 0.19 -0.61 0.23 0.00 0.09 0.00 0.00 57.88 57.78 2wdg h LEU 32 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2wdg h LEU 32 CO -0.03 0.78 1.07 0.74 0.09 0.00 0.00 178.44 181.10 2wdg h THR 33 N -0.99 0.04 0.12 0.22 2.02 0.31 0.92 112.91 115.56 2wdg h THR 33 Ca -0.00 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.92 2wdg h THR 33 Cb 0.62 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2wdg h THR 33 CO 0.00 0.00 -1.31 0.25 0.37 0.00 0.00 175.52 174.83 2wdg h LEU 34 N 0.00 0.38 -2.52 2.58 5.85 -1.39 -2.56 115.31 117.66 2wdg h LEU 34 Ca 0.37 -0.86 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 2wdg h LEU 34 Cb 2.51 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 43.42 2wdg h LEU 34 CO -0.00 1.58 -0.01 0.03 -0.34 0.00 0.00 178.44 179.70 2wdg h ARG 35 N -0.34 0.00 0.13 1.25 3.08 0.77 -2.61 114.38 116.67 2wdg h ARG 35 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2wdg h ARG 35 Cb 1.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.78 2wdg h ARG 35 CO 0.07 0.01 -0.06 0.82 -1.07 0.00 0.00 179.97 179.73 2wdg h ILE 36 N 0.00 0.00 0.00 2.04 2.04 -0.88 -2.96 117.51 117.75 2wdg h ILE 36 Ca -0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2wdg h ILE 36 Cb 0.02 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2wdg h ILE 36 CO 0.00 0.00 0.03 0.59 0.00 0.00 0.00 178.15 178.77 2wdg n ASN 37 N -4.22 0.00 -0.06 1.72 5.03 -0.96 0.28 115.26 117.05 2wdg n ASN 37 Ca -0.02 0.38 -0.02 0.00 0.87 0.00 0.00 54.58 55.79 2wdg n ASN 37 Cb 0.07 -0.38 -0.02 0.00 -1.02 0.00 0.00 39.78 38.43 2wdg n ASN 37 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 2wdg h ARG 38 N 0.00 0.00 -0.73 3.52 2.47 -1.53 -3.22 114.38 114.89 2wdg h ARG 38 Ca 0.00 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.78 2wdg h ARG 38 Cb 0.06 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 2wdg h ARG 38 CO 0.00 0.10 0.43 -0.07 0.56 0.00 0.00 179.97 180.99 2wdg h LEU 39 N -1.00 0.66 -0.95 3.04 3.38 -0.74 0.12 115.31 119.82 2wdg h LEU 39 Ca -0.01 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.28 2wdg h LEU 39 Cb 0.18 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 40.67 2wdg h LEU 39 CO -0.00 0.43 0.37 -1.28 0.09 0.00 0.00 178.44 178.05 2wdg h SER 40 N 0.79 0.18 0.23 -0.43 0.87 -0.30 0.26 113.55 115.16 2wdg h SER 40 Ca 0.32 0.21 -0.35 0.00 -1.23 0.00 0.00 61.79 60.74 2wdg h SER 40 Cb 0.16 0.24 0.03 0.00 -0.44 0.00 0.00 62.40 62.39 2wdg h SER 40 CO -0.17 -0.20 -1.60 -0.33 -0.53 0.00 0.00 176.83 174.00 2wdg h GLU 41 N 0.21 0.48 -0.27 2.24 3.07 -1.17 -2.43 114.58 116.73 2wdg h GLU 41 Ca 0.66 -0.83 0.02 0.00 -0.50 0.00 0.00 59.36 58.71 2wdg h GLU 41 Cb 1.45 0.31 -0.02 0.00 -0.84 0.00 0.00 28.75 29.65 2wdg h GLU 41 CO -0.67 1.40 0.11 1.25 -1.40 0.00 0.00 179.01 179.69 2wdg h HIS 42 N 0.13 0.21 0.00 4.33 -0.00 0.62 -1.32 115.15 119.13 2wdg h HIS 42 Ca -0.30 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.01 2wdg h HIS 42 Cb 2.15 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 29.49 2wdg h HIS 42 CO 0.12 0.11 -0.39 -0.07 -0.00 0.00 0.00 177.93 177.70 2wdg h LEU 43 N 0.25 0.00 -2.10 0.26 3.38 -0.70 0.24 115.31 116.64 2wdg h LEU 43 Ca 0.11 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2wdg h LEU 43 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2wdg h LEU 43 CO -0.10 0.39 0.05 0.50 0.09 0.00 0.00 178.44 179.37 2wdg h LYS 44 N 0.00 0.00 0.01 1.13 3.64 -0.73 -1.36 116.57 119.25 2wdg h LYS 44 Ca -0.00 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.96 2wdg h LYS 44 Cb 0.73 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 2wdg h LYS 44 CO 0.05 0.00 -2.39 0.28 -2.27 0.00 0.00 179.45 175.12 2wdg n VAL 45 N -4.36 1.53 -2.89 2.00 0.31 -0.74 -4.61 118.33 109.58 2wdg n VAL 45 Ca -0.02 -0.46 -0.38 0.00 -0.01 0.00 0.00 64.34 63.48 2wdg n VAL 45 Cb 0.15 -1.69 -0.00 0.00 -0.91 0.00 0.00 33.84 31.39 2wdg n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2wdg n HIS 46 N -3.80 2.91 0.29 3.52 8.25 0.76 -4.79 115.22 122.36 2wdg n HIS 46 Ca -0.48 -2.98 0.17 0.00 -0.26 0.00 0.00 57.72 54.17 2wdg n HIS 46 Cb 0.93 -1.03 0.84 0.00 1.12 0.00 0.00 29.99 31.85 2wdg n HIS 46 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 2wdg h LYS 47 N 4.39 0.00 0.00 -0.41 2.10 -1.49 0.47 116.57 121.63 2wdg h LYS 47 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 2wdg h LYS 47 Cb 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2wdg h LYS 47 CO 1.13 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 180.21 2wdg n LYS 48 N -2.73 0.20 -2.98 0.07 4.76 -1.26 -4.45 118.16 111.77 2wdg n LYS 48 Ca -0.01 0.03 -0.44 0.00 -2.87 0.00 0.00 58.31 55.02 2wdg n LYS 48 Cb 0.13 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.80 2wdg n LYS 48 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2wdg s ASP 49 N -2.78 6.82 0.02 4.39 2.15 0.16 -4.87 116.67 122.56 2wdg s ASP 49 Ca 0.20 -2.50 -0.19 0.00 0.43 0.00 0.00 52.55 50.49 2wdg s ASP 49 Cb 0.18 -2.38 -0.21 0.00 -0.30 0.00 0.00 42.92 40.22 2wdg s ASP 49 CO 0.45 -0.88 1.16 0.45 -0.17 0.00 0.00 175.17 176.19 2wdg h HIS 50 N 8.07 0.60 -0.31 -5.34 3.86 -1.84 -3.28 115.15 116.91 2wdg h HIS 50 Ca 0.21 -0.29 0.06 0.00 -1.16 0.00 0.00 60.37 59.19 2wdg h HIS 50 Cb 0.97 -0.08 -0.08 0.00 1.06 0.00 0.00 27.41 29.27 2wdg h HIS 50 CO 1.12 1.08 -0.40 0.45 0.86 0.00 0.00 177.93 181.03 2wdg h HIS 51 N -0.05 -1.16 -0.68 2.45 3.86 -1.98 -0.18 115.15 117.41 2wdg h HIS 51 Ca -0.05 0.06 0.15 0.00 -1.16 0.00 0.00 60.37 59.37 2wdg h HIS 51 Cb 1.17 0.55 -0.12 0.00 1.06 0.00 0.00 27.41 30.08 2wdg h HIS 51 CO 0.13 -0.44 -0.02 0.77 0.86 0.00 0.00 177.93 179.24 2wdg h SER 52 N -0.36 -0.34 -0.84 2.45 0.02 -2.00 0.34 113.55 112.82 2wdg h SER 52 Ca 0.12 0.17 0.20 0.00 -0.84 0.00 0.00 61.79 61.45 2wdg h SER 52 Cb 0.59 0.31 -0.15 0.00 0.14 0.00 0.00 62.40 63.29 2wdg h SER 52 CO -0.51 -0.15 -0.00 -0.74 -1.14 0.00 0.00 176.83 174.29 2wdg h HIS 53 N 0.10 -0.08 -0.75 3.45 6.17 -1.11 0.35 115.15 123.28 2wdg h HIS 53 Ca 0.36 0.06 0.11 0.00 0.71 0.00 0.00 60.37 61.61 2wdg h HIS 53 Cb 0.59 0.17 -0.12 0.00 2.52 0.00 0.00 27.41 30.57 2wdg h HIS 53 CO -0.41 -0.30 -0.43 -0.09 0.71 0.00 0.00 177.93 177.41 2wdg h ARG 54 N 0.07 -0.12 -0.56 5.26 9.65 0.33 0.58 114.38 129.59 2wdg h ARG 54 Ca 0.47 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.47 2wdg h ARG 54 Cb 0.86 0.03 -0.11 0.00 -1.39 0.00 0.00 29.97 29.36 2wdg h ARG 54 CO -0.76 -0.08 -0.17 0.78 2.80 0.00 0.00 179.97 182.54 2wdg h GLY 55 N -0.13 0.34 0.31 2.80 0.00 -0.24 -0.62 103.07 105.54 2wdg h GLY 55 Ca 0.23 0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.87 2wdg h GLY 55 CO -0.80 -0.22 0.03 -2.00 0.00 0.00 0.00 176.54 173.54 2wdg h LEU 56 N -0.03 -0.13 -0.60 3.11 5.85 0.49 0.48 115.31 124.48 2wdg h LEU 56 Ca 0.27 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.17 2wdg h LEU 56 Cb 0.44 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 2wdg h LEU 56 CO -0.59 -0.03 0.25 -0.07 -0.34 0.00 0.00 178.44 177.65 2wdg h LEU 57 N 0.15 0.28 -0.60 2.25 3.38 0.27 0.21 115.31 121.25 2wdg h LEU 57 Ca 0.23 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2wdg h LEU 57 Cb 0.32 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2wdg h LEU 57 CO -0.35 0.17 0.28 0.24 0.09 0.00 0.00 178.44 178.88 2wdg h MET 58 N 0.45 0.87 -0.28 1.13 2.86 -0.02 0.23 114.93 120.16 2wdg h MET 58 Ca 0.29 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2wdg h MET 58 Cb 0.32 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2wdg h MET 58 CO -0.27 0.70 0.10 0.52 1.06 0.00 0.00 176.91 179.03 2wdg h MET 59 N 0.82 0.43 -0.76 1.72 2.86 0.80 -0.97 114.93 119.83 2wdg h MET 59 Ca 0.21 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2wdg h MET 59 Cb 0.13 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 2wdg h MET 59 CO -0.03 0.47 0.44 0.28 1.06 0.00 0.00 176.91 179.14 2wdg h VAL 60 N 0.30 1.22 0.12 -2.22 2.07 -0.39 0.53 116.25 117.89 2wdg h VAL 60 Ca 0.09 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2wdg h VAL 60 Cb 0.21 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2wdg h VAL 60 CO -0.01 0.24 -0.23 1.23 0.02 0.00 0.00 177.57 178.82 2wdg h GLY 61 N 1.05 -1.09 -0.25 2.17 0.00 -0.17 -0.10 103.07 104.67 2wdg h GLY 61 Ca 0.27 0.52 0.07 0.00 0.00 0.00 0.00 47.33 48.19 2wdg h GLY 61 CO -0.05 -0.35 -0.39 -1.61 0.00 0.00 0.00 176.54 174.14 2wdg h GLN 62 N -0.38 -0.29 -0.93 4.80 5.75 -0.98 0.24 115.11 123.32 2wdg h GLN 62 Ca -0.01 0.02 0.25 0.00 -0.15 0.00 0.00 58.65 58.76 2wdg h GLN 62 Cb 0.35 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.92 2wdg h GLN 62 CO -0.08 -0.19 0.65 -0.09 -2.65 0.00 0.00 178.83 176.46 2wdg h ARG 63 N -0.30 0.15 0.58 1.69 2.43 -0.62 -1.40 114.38 116.91 2wdg h ARG 63 Ca 0.15 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2wdg h ARG 63 Cb 0.57 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2wdg h ARG 63 CO -0.56 0.10 -0.28 -0.09 -1.51 0.00 0.00 179.97 177.63 2wdg h ARG 64 N 0.16 -0.75 -0.71 0.20 2.43 0.14 -1.74 114.38 114.10 2wdg h ARG 64 Ca 0.47 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.79 2wdg h ARG 64 Cb 1.57 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 31.17 2wdg h ARG 64 CO -0.09 -0.45 -0.41 0.00 -1.51 0.00 0.00 179.97 177.52 2wdg h ARG 65 N -1.11 -0.14 0.28 0.20 -0.00 -0.67 -0.15 114.38 112.80 2wdg h ARG 65 Ca -0.08 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 2wdg h ARG 65 Cb 0.65 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.62 2wdg h ARG 65 CO 0.13 -0.09 -0.36 -0.07 0.00 0.00 0.00 179.97 179.58 2wdg h LEU 66 N -0.14 -1.00 -2.23 3.04 4.07 -1.48 0.23 115.31 117.80 2wdg h LEU 66 Ca 0.23 0.10 0.02 0.00 0.08 0.00 0.00 57.88 58.31 2wdg h LEU 66 Cb 0.56 0.35 -0.00 0.00 1.08 0.00 0.00 40.66 42.65 2wdg h LEU 66 CO -0.77 -0.48 0.26 -0.07 -1.08 0.00 0.00 178.44 176.29 2wdg h LEU 67 N -0.69 0.00 0.11 1.67 3.38 -0.45 0.22 115.31 119.54 2wdg h LEU 67 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2wdg h LEU 67 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 2wdg h LEU 67 CO -0.11 0.00 -0.68 -0.09 0.09 0.00 0.00 178.44 177.65 2wdg h ARG 68 N 0.00 0.22 0.36 1.13 2.43 0.43 -2.50 114.38 116.45 2wdg h ARG 68 Ca 0.03 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 2wdg h ARG 68 Cb 0.55 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2wdg h ARG 68 CO -0.00 1.18 -0.38 -0.92 -1.51 0.00 0.00 179.97 178.34 2wdg h TYR 69 N -0.52 -1.06 -0.75 2.20 3.20 0.12 -1.17 116.97 118.99 2wdg h TYR 69 Ca -0.13 0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.92 2wdg h TYR 69 Cb 1.50 0.41 -0.14 0.00 1.54 0.00 0.00 36.73 40.05 2wdg h TYR 69 CO 0.21 -0.50 -0.07 1.25 -1.64 0.00 0.00 178.16 177.41 2wdg h LEU 70 N -0.74 -0.49 -1.66 2.82 5.85 -0.98 0.57 115.31 120.67 2wdg h LEU 70 Ca -0.05 0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.96 2wdg h LEU 70 Cb 0.65 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2wdg h LEU 70 CO -0.06 -0.21 0.35 -0.61 -0.34 0.00 0.00 178.44 177.57 2wdg h GLN 71 N 0.05 0.39 0.15 1.25 -0.00 -0.99 -1.57 115.11 114.40 2wdg h GLN 71 Ca 0.39 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 59.01 2wdg h GLN 71 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.06 2wdg h GLN 71 CO -0.71 0.26 -0.07 -0.09 0.00 0.00 0.00 178.83 178.22 2wdg h ARG 72 N 0.41 -0.19 0.00 1.69 2.43 0.13 -3.17 114.38 115.68 2wdg h ARG 72 Ca 0.23 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2wdg h ARG 72 Cb 0.39 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2wdg h ARG 72 CO -0.06 -0.13 0.00 0.39 -1.51 0.00 0.00 179.97 178.66 2wdg n GLU 73 N -3.28 0.00 -3.93 0.20 -0.58 -0.22 -4.18 120.64 108.64 2wdg n GLU 73 Ca -0.02 0.49 -0.32 0.00 -0.42 0.00 0.00 57.16 56.89 2wdg n GLU 73 Cb 0.08 -1.17 -0.14 0.00 -0.57 0.00 0.00 31.44 29.65 2wdg n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2wdg s ASP 74 N -2.64 4.66 0.00 1.62 2.15 -0.61 -4.92 116.67 116.92 2wdg s ASP 74 Ca 0.00 -2.63 0.00 0.00 0.43 0.00 0.00 52.55 50.35 2wdg s ASP 74 Cb 0.00 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.94 2wdg s ASP 74 CO 0.00 -0.32 0.18 -0.81 -0.17 0.00 0.00 175.17 174.05 2wdg n PRO 75 N 3.66 0.23 -0.06 4.34 -0.04 -1.20 -2.57 135.00 139.35 2wdg n PRO 75 Ca 0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 2wdg n PRO 75 Cb 0.37 -1.05 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 2wdg n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wdg n GLU 76 N -0.13 0.35 0.00 0.54 4.07 -1.26 -3.54 120.64 120.68 2wdg n GLU 76 Ca 0.00 0.15 0.05 0.00 -0.06 0.00 0.00 57.16 57.30 2wdg n GLU 76 Cb 0.02 -1.10 0.29 0.00 -0.06 0.00 0.00 31.44 30.59 2wdg n GLU 76 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2wdg n ARG 77 N -3.93 0.51 -0.05 5.31 1.85 -1.06 -1.62 116.66 117.67 2wdg n ARG 77 Ca -0.23 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.58 2wdg n ARG 77 Cb 0.55 -1.30 -0.01 0.00 -1.05 0.00 0.00 32.46 30.65 2wdg n ARG 77 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2wdg n TYR 78 N -0.80 0.26 0.03 2.89 9.36 -1.15 -2.11 117.16 125.62 2wdg n TYR 78 Ca 0.07 0.11 0.01 0.00 3.32 0.00 0.00 57.90 61.41 2wdg n TYR 78 Cb 0.03 -0.41 0.04 0.00 -0.63 0.00 0.00 39.34 38.37 2wdg n TYR 78 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wdg n ARG 79 N -3.60 0.01 -0.09 2.98 1.74 -0.88 0.58 116.66 117.39 2wdg n ARG 79 Ca -0.06 0.26 -0.14 0.00 -0.77 0.00 0.00 57.85 57.15 2wdg n ARG 79 Cb 0.22 -1.84 -0.09 0.00 -1.02 0.00 0.00 32.46 29.73 2wdg n ARG 79 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdg n ALA 80 N -1.25 1.60 0.14 7.54 0.00 -0.64 -4.36 120.51 123.53 2wdg n ALA 80 Ca -0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 2wdg n ALA 80 Cb 0.31 0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 2wdg n ALA 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdg h LEU 81 N -0.04 -0.36 -1.84 0.00 5.85 0.68 -0.22 115.31 119.38 2wdg h LEU 81 Ca -0.43 -0.13 0.35 0.00 0.84 0.00 0.00 57.88 58.52 2wdg h LEU 81 Cb 1.64 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.70 2wdg h LEU 81 CO -0.08 0.11 0.87 -0.29 -0.34 0.00 0.00 178.44 178.71 2wdg h ILE 82 N -1.02 0.38 0.14 4.05 -0.00 -1.41 -0.76 117.51 118.88 2wdg h ILE 82 Ca -0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 64.86 64.78 2wdg h ILE 82 Cb 0.47 0.29 0.00 0.00 -0.00 0.00 0.00 36.82 37.58 2wdg h ILE 82 CO 0.07 0.01 -0.07 -0.08 -0.00 0.00 0.00 178.15 178.09 2wdg h GLU 83 N 0.08 -0.18 -1.07 2.19 4.22 -1.70 -0.10 114.58 118.01 2wdg h GLU 83 Ca 0.62 0.01 0.36 0.00 0.08 0.00 0.00 59.36 60.43 2wdg h GLU 83 Cb 2.27 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 31.41 2wdg h GLU 83 CO -0.09 -0.12 0.63 0.87 -2.18 0.00 0.00 179.01 178.12 2wdg h LYS 84 N -0.96 0.21 0.00 1.92 1.57 0.31 0.84 116.57 120.46 2wdg h LYS 84 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2wdg h LYS 84 Cb 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2wdg h LYS 84 CO 0.03 0.14 -0.52 1.28 -0.57 0.00 0.00 179.45 179.81 2wdg n LEU 85 N -4.98 0.60 -2.86 2.94 4.77 -0.43 -5.01 117.00 112.02 2wdg n LEU 85 Ca 0.34 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 2wdg n LEU 85 Cb 1.13 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2wdg n LEU 85 CO 0.11 -0.00 0.19 0.61 -1.33 0.00 0.00 177.39 176.97 2wdg n GLY 86 N 1.39 -1.23 0.00 -0.72 0.00 0.29 -5.06 105.19 99.87 2wdg n GLY 86 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2wdg n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wdg n ILE 87 N -1.01 0.00 -2.86 -0.61 5.41 -0.15 -5.02 119.36 115.12 2wdg n ILE 87 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.78 2wdg n ILE 87 Cb 0.47 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.38 2wdg n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wdg n ARG 88 N 0.00 -2.77 0.00 0.38 1.74 -1.26 -4.94 116.66 109.82 2wdg n ARG 88 Ca 0.00 2.26 0.02 0.00 -0.77 0.00 0.00 57.85 59.36 2wdg n ARG 88 Cb 0.00 -3.09 0.02 0.00 -1.02 0.00 0.00 32.46 28.37 2wdg n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52