#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdh n PHE 6 N 0.00 -0.88 -0.01 2.11 3.01 -1.26 -4.95 117.46 115.48 2wdh n PHE 6 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 2wdh n PHE 6 Cb 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.35 2wdh n PHE 6 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2wdh h GLU 7 N 0.00 0.23 -5.47 -1.08 4.57 -1.23 -3.48 114.58 108.12 2wdh h GLU 7 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2wdh h GLU 7 Cb 0.00 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2wdh h GLU 7 CO 0.00 1.00 -1.03 -1.91 -1.18 0.00 0.00 179.01 175.89 2wdh n GLU 8 N -4.41 -2.77 -4.16 1.92 2.13 -1.26 -4.94 120.64 107.16 2wdh n GLU 8 Ca -0.10 2.33 -0.33 0.00 0.66 0.00 0.00 57.16 59.71 2wdh n GLU 8 Cb 0.57 -4.08 -0.15 0.00 0.27 0.00 0.00 31.44 28.05 2wdh n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wdh s LYS 9 N -1.29 3.10 0.03 5.31 2.20 0.94 -4.99 119.74 125.05 2wdh s LYS 9 Ca -0.04 -0.78 -0.19 0.00 -0.36 0.00 0.00 55.97 54.61 2wdh s LYS 9 Cb 0.00 -2.67 -0.06 0.00 -1.51 0.00 0.00 37.83 33.60 2wdh s LYS 9 CO 0.56 -0.17 0.54 1.41 -0.36 0.00 0.00 175.35 177.34 2wdh s MET 10 N 1.25 4.19 0.00 4.03 -2.45 -1.26 -0.48 119.30 124.58 2wdh s MET 10 Ca 0.03 0.66 0.00 0.00 -1.25 0.00 0.00 55.69 55.13 2wdh s MET 10 Cb -0.14 -3.28 0.00 0.00 1.25 0.00 0.00 34.83 32.67 2wdh s MET 10 CO -0.09 0.55 0.00 -0.89 1.05 0.00 0.00 175.02 175.64 2wdh n ILE 11 N 2.12 0.00 -3.24 10.11 5.41 0.35 -4.93 119.36 129.18 2wdh n ILE 11 Ca -0.10 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.40 2wdh n ILE 11 Cb 0.51 -0.33 -0.01 0.00 -0.71 0.00 0.00 39.64 39.10 2wdh n ILE 11 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2wdh s LEU 12 N 0.00 3.95 -0.24 1.39 1.98 -1.23 -4.89 118.68 119.64 2wdh s LEU 12 Ca 0.00 0.56 -0.11 0.00 -2.89 0.00 0.00 54.13 51.69 2wdh s LEU 12 Cb 0.00 -3.44 0.09 0.00 0.66 0.00 0.00 46.19 43.50 2wdh s LEU 12 CO 0.00 -0.34 0.54 -0.63 -1.89 0.00 0.00 176.35 174.04 2wdh s ILE 13 N -2.38 -0.43 0.23 6.68 1.01 -1.26 -0.67 121.20 124.39 2wdh s ILE 13 Ca 0.42 0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.16 2wdh s ILE 13 Cb -0.10 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 2wdh s ILE 13 CO 0.37 0.03 0.04 0.00 0.00 0.00 0.00 174.94 175.38 2wdh s ARG 14 N 2.16 1.33 -0.67 2.79 1.70 -1.06 -4.96 118.95 120.24 2wdh s ARG 14 Ca -0.07 -1.69 0.04 0.00 -0.47 0.00 0.00 55.73 53.55 2wdh s ARG 14 Cb -0.09 -0.43 0.30 0.00 -0.57 0.00 0.00 34.95 34.16 2wdh s ARG 14 CO -0.16 -0.18 0.99 -2.13 -1.08 0.00 0.00 175.30 172.74 2wdh n ARG 15 N -0.41 3.27 -0.43 3.89 0.63 -1.26 -2.04 116.66 120.31 2wdh n ARG 15 Ca -0.03 -4.77 -0.12 0.00 -0.92 0.00 0.00 57.85 52.01 2wdh n ARG 15 Cb 0.65 -2.28 0.12 0.00 0.45 0.00 0.00 32.46 31.39 2wdh n ARG 15 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2wdh n THR 16 N 0.25 0.00 -3.81 5.15 -2.24 -0.92 -4.68 114.28 108.03 2wdh n THR 16 Ca 0.32 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.05 2wdh n THR 16 Cb 0.38 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2wdh n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdh s ALA 17 N -2.04 -1.49 0.29 6.98 0.00 -1.26 -3.20 121.76 121.04 2wdh s ALA 17 Ca 0.27 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.10 2wdh s ALA 17 Cb -0.05 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 2wdh s ALA 17 CO 0.22 -1.04 0.31 2.89 0.00 0.00 0.00 175.76 178.14 2wdh n ARG 18 N -0.55 0.45 -4.30 0.00 1.85 -1.05 -5.02 116.66 108.05 2wdh n ARG 18 Ca -0.05 -2.72 -0.17 0.00 -1.00 0.00 0.00 57.85 53.90 2wdh n ARG 18 Cb 0.60 2.37 -0.10 0.00 -1.05 0.00 0.00 32.46 34.27 2wdh n ARG 18 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2wdh s MET 19 N -2.99 1.19 -0.28 2.89 -1.94 -1.26 -2.54 119.30 114.37 2wdh s MET 19 Ca 0.31 -1.46 -0.28 0.00 -1.71 0.00 0.00 55.69 52.55 2wdh s MET 19 Cb 0.01 -0.95 0.18 0.00 2.01 0.00 0.00 34.83 36.08 2wdh s MET 19 CO 0.22 0.16 1.34 -1.14 -0.01 0.00 0.00 175.02 175.59 2wdh s GLN 20 N -3.41 0.13 0.47 2.03 0.74 -0.89 -4.94 119.66 113.80 2wdh s GLN 20 Ca 0.17 0.07 -0.15 0.00 0.05 0.00 0.00 55.36 55.51 2wdh s GLN 20 Cb -0.01 0.06 -0.13 0.00 1.10 0.00 0.00 33.01 34.04 2wdh s GLN 20 CO 0.04 -0.03 -0.18 0.00 -0.55 0.00 0.00 175.29 174.57 2wdh n ALA 21 N 0.95 -3.10 0.00 1.58 0.00 -1.26 -1.01 120.51 117.68 2wdh n ALA 21 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2wdh n ALA 21 Cb 0.58 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2wdh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdh n GLY 22 N 2.20 1.88 0.00 0.00 0.00 -1.26 -4.87 105.19 103.15 2wdh n GLY 22 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2wdh n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdh n GLY 23 N 0.00 -0.52 3.74 -0.02 0.00 -0.18 -5.14 105.19 103.07 2wdh n GLY 23 Ca 0.00 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 2wdh n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wdh s ARG 24 N -1.51 2.68 -0.06 1.61 1.70 -1.26 -2.10 118.95 120.00 2wdh s ARG 24 Ca 0.00 -1.02 0.00 0.00 -0.47 0.00 0.00 55.73 54.25 2wdh s ARG 24 Cb 0.00 -2.50 0.02 0.00 -0.57 0.00 0.00 34.95 31.91 2wdh s ARG 24 CO 0.00 0.46 -0.04 1.03 -1.08 0.00 0.00 175.30 175.66 2wdh s ARG 25 N -3.16 0.93 0.85 3.89 0.52 -1.05 -4.98 118.95 115.95 2wdh s ARG 25 Ca 0.30 -0.10 -0.09 0.00 -0.52 0.00 0.00 55.73 55.32 2wdh s ARG 25 Cb -0.09 -1.00 0.17 0.00 0.52 0.00 0.00 34.95 34.54 2wdh s ARG 25 CO 0.21 -0.14 1.17 -0.06 0.02 0.00 0.00 175.30 176.51 2wdh s PHE 26 N 1.22 1.58 -0.28 -0.53 0.40 -1.26 -2.54 117.98 116.57 2wdh s PHE 26 Ca -0.06 0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 56.06 2wdh s PHE 26 Cb -0.14 -3.60 0.15 0.00 0.51 0.00 0.00 43.02 39.94 2wdh s PHE 26 CO -0.02 -2.23 1.16 0.50 0.70 0.00 0.00 175.22 175.34 2wdh s ARG 27 N -5.55 0.36 0.21 0.44 3.52 -1.19 -4.92 118.95 111.82 2wdh s ARG 27 Ca 0.71 0.39 0.08 0.00 -0.13 0.00 0.00 55.73 56.78 2wdh s ARG 27 Cb -0.04 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 2wdh s ARG 27 CO 0.49 -0.05 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.86 2wdh s PHE 28 N 0.04 2.77 0.11 5.12 0.40 -0.89 -2.17 117.98 123.35 2wdh s PHE 28 Ca 0.04 -0.18 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 2wdh s PHE 28 Cb -0.05 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 2wdh s PHE 28 CO -0.09 0.56 -0.14 0.20 0.70 0.00 0.00 175.22 176.45 2wdh s GLY 29 N -3.26 1.01 -0.03 4.36 0.00 -0.86 -1.12 107.32 107.42 2wdh s GLY 29 Ca 0.29 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 43.79 2wdh s GLY 29 CO 0.19 -1.27 0.04 0.00 0.00 0.00 0.00 173.10 172.06 2wdh s ALA 30 N -1.98 0.05 -0.43 3.20 0.00 -0.85 -2.56 121.76 119.19 2wdh s ALA 30 Ca 0.06 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.23 2wdh s ALA 30 Cb -0.06 -0.29 0.05 0.00 0.00 0.00 0.00 23.12 22.82 2wdh s ALA 30 CO 0.02 -0.13 0.32 -1.17 0.00 0.00 0.00 175.76 174.80 2wdh s LEU 31 N 1.15 5.25 -0.16 0.00 1.98 0.15 -1.14 118.68 125.92 2wdh s LEU 31 Ca -0.08 -1.18 -0.01 0.00 -2.89 0.00 0.00 54.13 49.97 2wdh s LEU 31 Cb -0.13 -2.12 -0.01 0.00 0.66 0.00 0.00 46.19 44.59 2wdh s LEU 31 CO -0.03 -0.53 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.09 2wdh s VAL 32 N 1.60 3.03 -0.16 1.68 1.01 -0.53 0.13 120.40 127.17 2wdh s VAL 32 Ca 0.04 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 2wdh s VAL 32 Cb -0.22 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2wdh s VAL 32 CO 0.07 0.50 0.09 -0.69 0.00 0.00 0.00 175.10 175.07 2wdh s VAL 33 N 0.75 5.07 -0.02 2.92 1.01 0.37 -1.55 120.40 128.95 2wdh s VAL 33 Ca -0.05 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2wdh s VAL 33 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2wdh s VAL 33 CO 0.01 0.52 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 2wdh s VAL 34 N -0.21 1.21 0.16 2.92 1.01 0.11 -0.04 120.40 125.56 2wdh s VAL 34 Ca 0.09 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 2wdh s VAL 34 Cb -0.12 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.29 2wdh s VAL 34 CO 0.01 0.35 0.51 -0.83 0.00 0.00 0.00 175.10 175.14 2wdh s GLY 35 N -0.22 -0.32 0.00 4.51 0.00 -1.26 0.97 107.32 111.00 2wdh s GLY 35 Ca 0.03 0.06 0.18 0.00 0.00 0.00 0.00 44.72 44.99 2wdh s GLY 35 CO 0.00 -0.14 0.96 2.09 0.00 0.00 0.00 173.10 176.01 2wdh n ASP 36 N -0.32 1.94 -2.08 1.64 3.85 -0.61 -0.60 116.55 120.37 2wdh n ASP 36 Ca -0.14 -1.47 -0.17 0.00 -0.71 0.00 0.00 54.79 52.30 2wdh n ASP 36 Cb 0.64 0.37 0.00 0.00 -1.35 0.00 0.00 41.12 40.77 2wdh n ASP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2wdh n ARG 37 N 0.17 -2.08 0.00 0.11 1.74 -0.09 -4.85 116.66 111.66 2wdh n ARG 37 Ca 0.08 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 2wdh n ARG 37 Cb 0.40 -5.25 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 2wdh n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wdh n GLN 38 N -2.84 0.50 0.00 5.56 1.13 -1.26 -4.56 117.38 115.91 2wdh n GLN 38 Ca -0.17 -0.58 0.00 0.00 -1.94 0.00 0.00 57.00 54.31 2wdh n GLN 38 Cb 0.64 -0.67 0.00 0.00 0.11 0.00 0.00 30.24 30.31 2wdh n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wdh n GLY 39 N -0.11 1.20 2.99 1.08 0.00 -0.44 -4.95 105.19 104.97 2wdh n GLY 39 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wdh n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdh s ARG 40 N -0.22 2.13 0.05 1.61 0.52 -1.25 0.27 118.95 122.06 2wdh s ARG 40 Ca 0.00 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 2wdh s ARG 40 Cb 0.00 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 2wdh s ARG 40 CO 0.00 -0.26 -0.03 0.14 0.02 0.00 0.00 175.30 175.17 2wdh s VAL 41 N 1.53 0.25 -0.06 3.52 -7.23 -1.03 -1.57 120.40 115.81 2wdh s VAL 41 Ca 0.05 -1.66 -0.05 0.00 -1.81 0.00 0.00 61.98 58.50 2wdh s VAL 41 Cb -0.13 -1.31 0.02 0.00 0.56 0.00 0.00 36.38 35.51 2wdh s VAL 41 CO -0.10 -0.89 0.16 -0.83 -0.31 0.00 0.00 175.10 173.12 2wdh s GLY 42 N -2.67 -0.11 -0.17 2.32 0.00 0.27 -0.00 107.32 106.96 2wdh s GLY 42 Ca 0.03 0.47 -0.02 0.00 0.00 0.00 0.00 44.72 45.20 2wdh s GLY 42 CO -0.08 0.44 -0.08 -2.27 0.00 0.00 0.00 173.10 171.11 2wdh s LEU 43 N 0.19 2.87 -0.00 0.66 2.96 -1.24 0.05 118.68 124.16 2wdh s LEU 43 Ca -0.01 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2wdh s LEU 43 Cb -0.02 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2wdh s LEU 43 CO -0.00 0.10 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.23 2wdh s GLY 44 N 0.76 0.34 -0.20 7.98 0.00 -0.60 -4.59 107.32 111.00 2wdh s GLY 44 Ca -0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.33 2wdh s GLY 44 CO 0.02 -0.27 -0.02 -0.12 0.00 0.00 0.00 173.10 172.71 2wdh s PHE 45 N -0.22 3.00 -0.36 1.90 2.19 -1.26 -1.45 117.98 121.78 2wdh s PHE 45 Ca 0.02 -0.62 -0.01 0.00 0.33 0.00 0.00 56.93 56.65 2wdh s PHE 45 Cb -0.03 -2.08 0.09 0.00 -1.31 0.00 0.00 43.02 39.69 2wdh s PHE 45 CO -0.00 -0.34 0.12 0.20 1.83 0.00 0.00 175.22 177.02 2wdh s GLY 46 N 1.14 1.91 -0.24 13.12 0.00 -0.29 -4.76 107.32 118.20 2wdh s GLY 46 Ca 0.02 -2.32 -0.15 0.00 0.00 0.00 0.00 44.72 42.27 2wdh s GLY 46 CO 0.01 0.92 0.39 0.54 0.00 0.00 0.00 173.10 174.95 2wdh s LYS 47 N 1.13 4.09 0.07 2.90 3.01 -1.26 -2.01 119.74 127.67 2wdh s LYS 47 Ca 0.05 0.13 -0.24 0.00 -1.01 0.00 0.00 55.97 54.90 2wdh s LYS 47 Cb -0.21 -3.60 0.06 0.00 -1.01 0.00 0.00 37.83 33.07 2wdh s LYS 47 CO -0.04 -0.18 0.58 0.00 0.51 0.00 0.00 175.35 176.22 2wdh s ALA 48 N 1.76 -1.50 0.65 5.17 0.00 -0.28 -4.95 121.76 122.62 2wdh s ALA 48 Ca 0.17 0.67 0.14 0.00 0.00 0.00 0.00 51.96 52.94 2wdh s ALA 48 Cb -0.15 0.51 0.69 0.00 0.00 0.00 0.00 23.12 24.17 2wdh s ALA 48 CO 0.09 -0.58 1.37 -1.35 0.00 0.00 0.00 175.76 175.28 2wdh h PRO 49 N 2.51 0.00 -3.94 0.00 0.11 -1.91 -2.37 132.00 126.39 2wdh h PRO 49 Ca -0.31 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.69 2wdh h PRO 49 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 2wdh h PRO 49 CO 0.40 0.00 -0.41 -2.00 -0.21 0.00 0.00 178.00 175.78 2wdh s GLU 50 N -4.11 0.96 0.04 1.05 2.56 -1.26 -4.64 118.70 113.29 2wdh s GLU 50 Ca -0.02 -1.12 -0.24 0.00 0.00 0.00 0.00 54.97 53.59 2wdh s GLU 50 Cb 0.05 0.33 -0.14 0.00 2.00 0.00 0.00 34.13 36.38 2wdh s GLU 50 CO 0.17 -0.31 1.37 0.28 -0.56 0.00 0.00 175.26 176.20 2wdh h VAL 51 N 2.71 0.00 -0.29 3.70 2.07 -1.92 -0.72 116.25 121.80 2wdh h VAL 51 Ca -0.33 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.22 2wdh h VAL 51 Cb 1.21 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2wdh h VAL 51 CO 0.54 0.00 -0.39 -0.65 0.02 0.00 0.00 177.57 177.09 2wdh h PRO 52 N -0.88 -0.26 -0.93 1.57 0.11 -1.99 0.17 132.00 129.79 2wdh h PRO 52 Ca -0.09 0.02 0.27 0.00 0.11 0.00 0.00 66.00 66.31 2wdh h PRO 52 Cb 0.68 0.06 -0.16 0.00 0.11 0.00 0.00 31.00 31.69 2wdh h PRO 52 CO 0.15 -0.18 0.26 -0.07 -0.21 0.00 0.00 178.00 177.95 2wdh h LEU 53 N -0.27 -0.02 0.09 2.35 4.07 -1.96 0.54 115.31 120.11 2wdh h LEU 53 Ca 0.05 0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.23 2wdh h LEU 53 Cb 0.41 0.30 0.00 0.00 1.08 0.00 0.00 40.66 42.46 2wdh h LEU 53 CO -0.42 -0.23 -0.04 0.00 -1.08 0.00 0.00 178.44 176.67 2wdh h ALA 54 N 1.86 -0.12 -0.36 1.53 0.00 0.70 0.47 119.26 123.34 2wdh h ALA 54 Ca 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2wdh h ALA 54 Cb 1.33 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2wdh h ALA 54 CO -0.72 -0.46 0.18 0.28 0.00 0.00 0.00 179.25 178.52 2wdh h VAL 55 N -0.33 1.16 0.34 0.00 2.07 0.15 0.38 116.25 120.02 2wdh h VAL 55 Ca -0.01 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2wdh h VAL 55 Cb 0.28 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2wdh h VAL 55 CO 0.02 0.17 -0.31 -0.61 0.02 0.00 0.00 177.57 176.86 2wdh h GLN 56 N 0.45 -0.65 -0.95 1.57 -0.00 0.04 0.72 115.11 116.29 2wdh h GLN 56 Ca 0.13 0.04 0.20 0.00 -0.00 0.00 0.00 58.65 59.02 2wdh h GLN 56 Cb 0.11 0.15 -0.11 0.00 0.00 0.00 0.00 27.48 27.63 2wdh h GLN 56 CO -0.02 -0.43 0.53 -0.22 0.00 0.00 0.00 178.83 178.69 2wdh h LYS 57 N -0.67 0.59 -0.53 1.69 3.64 0.29 0.23 116.57 121.82 2wdh h LYS 57 Ca -0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2wdh h LYS 57 Cb 0.60 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2wdh h LYS 57 CO -0.04 0.39 0.20 0.00 -2.27 0.00 0.00 179.45 177.73 2wdh h ALA 58 N 1.67 0.69 -0.87 5.00 0.00 0.71 -1.84 119.26 124.62 2wdh h ALA 58 Ca 0.57 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.41 2wdh h ALA 58 Cb 0.98 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2wdh h ALA 58 CO -0.44 0.31 0.51 0.78 0.00 0.00 0.00 179.25 180.42 2wdh h GLY 59 N 0.71 1.35 0.66 0.00 0.00 0.18 0.37 103.07 106.34 2wdh h GLY 59 Ca 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2wdh h GLY 59 CO -0.01 0.16 -0.08 -1.82 0.00 0.00 0.00 176.54 174.79 2wdh h TYR 60 N 0.87 -0.21 -0.34 5.60 3.20 -0.93 -2.15 116.97 123.01 2wdh h TYR 60 Ca 0.41 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.30 2wdh h TYR 60 Cb 0.34 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 2wdh h TYR 60 CO -0.04 0.13 0.23 1.88 -1.64 0.00 0.00 178.16 178.71 2wdh h TYR 61 N -0.57 0.36 0.00 -3.82 0.05 -1.03 0.10 116.97 112.06 2wdh h TYR 61 Ca -0.02 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2wdh h TYR 61 Cb 0.43 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2wdh h TYR 61 CO 0.03 0.22 0.00 0.00 -1.05 0.00 0.00 178.16 177.36 2wdh n ALA 62 N -2.50 -0.17 -0.36 3.88 0.00 0.13 -2.64 120.51 118.84 2wdh n ALA 62 Ca 0.03 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.75 2wdh n ALA 62 Cb 0.12 0.03 0.54 0.00 0.00 0.00 0.00 19.45 20.15 2wdh n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdh h ARG 63 N 0.00 0.23 -0.01 0.00 3.08 -1.32 0.91 114.38 117.27 2wdh h ARG 63 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wdh h ARG 63 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2wdh h ARG 63 CO 0.00 0.15 0.00 -2.13 -1.07 0.00 0.00 179.97 176.92 2wdh n ARG 64 N -4.90 0.09 -3.43 0.04 3.00 0.01 -4.36 116.66 107.11 2wdh n ARG 64 Ca 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.19 2wdh n ARG 64 Cb 1.13 -1.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.54 2wdh n ARG 64 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2wdh s ASN 65 N -1.85 -0.41 0.00 6.15 2.47 0.31 -5.00 114.94 116.61 2wdh s ASN 65 Ca 0.00 0.59 0.00 0.00 0.42 0.00 0.00 52.86 53.87 2wdh s ASN 65 Cb 0.00 1.39 0.00 0.00 -1.45 0.00 0.00 41.25 41.19 2wdh s ASN 65 CO 0.00 -0.08 0.00 0.23 -3.72 0.00 0.00 177.10 173.53 2wdh n MET 66 N 4.44 0.00 -3.60 0.43 2.81 -1.26 -3.67 117.12 116.27 2wdh n MET 66 Ca -0.11 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.61 2wdh n MET 66 Cb 0.55 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.99 2wdh n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2wdh s VAL 67 N -2.23 0.02 -0.71 2.03 0.11 0.99 -4.93 120.40 115.68 2wdh s VAL 67 Ca 0.00 -0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 58.71 2wdh s VAL 67 Cb 0.00 -0.88 0.11 0.00 -1.53 0.00 0.00 36.38 34.08 2wdh s VAL 67 CO 0.00 -0.08 0.88 -1.83 -3.33 0.00 0.00 175.10 170.74 2wdh s GLU 68 N -1.24 3.24 -0.53 1.54 -1.05 -1.26 -2.47 118.70 116.94 2wdh s GLU 68 Ca -0.12 -1.39 -0.28 0.00 -0.15 0.00 0.00 54.97 53.03 2wdh s GLU 68 Cb -0.02 -4.43 0.02 0.00 -0.44 0.00 0.00 34.13 29.26 2wdh s GLU 68 CO 0.08 -1.65 1.37 0.08 0.95 0.00 0.00 175.26 176.09 2wdh s VAL 69 N 2.86 3.86 0.00 1.83 1.01 0.75 -4.87 120.40 125.84 2wdh s VAL 69 Ca 0.20 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2wdh s VAL 69 Cb -0.16 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.79 2wdh s VAL 69 CO 0.02 -1.09 0.00 -2.65 0.00 0.00 0.00 175.10 171.39 2wdh n PRO 70 N 8.46 0.00 -0.89 2.72 -0.02 -1.26 -4.54 135.00 139.47 2wdh n PRO 70 Ca 0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.18 2wdh n PRO 70 Cb 0.49 -1.36 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 2wdh n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wdh n LEU 71 N 1.25 0.54 -4.23 2.45 4.77 -1.26 -4.56 117.00 115.95 2wdh n LEU 71 Ca 0.00 0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 56.05 2wdh n LEU 71 Cb 0.00 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.39 2wdh n LEU 71 CO 0.00 -0.55 0.19 -1.10 -1.33 0.00 0.00 177.39 174.61 2wdh s GLN 72 N 4.21 3.00 -1.00 3.23 -1.52 -0.49 -4.59 119.66 122.51 2wdh s GLN 72 Ca 0.85 -2.29 -0.03 0.00 -1.95 0.00 0.00 55.36 51.94 2wdh s GLN 72 Cb -1.06 -4.10 0.00 0.00 -0.22 0.00 0.00 33.01 27.63 2wdh s GLN 72 CO 0.47 -1.24 0.85 -1.71 -0.25 0.00 0.00 175.29 173.42 2wdh n ASN 73 N 4.11 -3.53 0.00 5.90 4.05 -1.26 -2.54 115.26 121.98 2wdh n ASN 73 Ca 0.05 -0.46 0.00 0.00 0.45 0.00 0.00 54.58 54.62 2wdh n ASN 73 Cb 0.42 -4.12 0.00 0.00 1.23 0.00 0.00 39.78 37.31 2wdh n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wdh n GLY 74 N -1.36 2.06 0.00 8.20 0.00 -1.26 -4.89 105.19 107.94 2wdh n GLY 74 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2wdh n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wdh n THR 75 N -2.00 0.00 -4.15 2.61 5.66 -1.05 -0.40 114.28 114.94 2wdh n THR 75 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 2wdh n THR 75 Cb 0.00 -0.07 -0.07 0.00 -1.55 0.00 0.00 70.33 68.64 2wdh n THR 75 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2wdh s ILE 76 N 1.01 3.98 -0.27 1.09 2.07 -1.26 -1.39 121.20 126.43 2wdh s ILE 76 Ca 0.00 -1.22 0.27 0.00 -1.41 0.00 0.00 60.65 58.29 2wdh s ILE 76 Cb 0.00 -2.98 0.30 0.00 0.13 0.00 0.00 42.46 39.91 2wdh s ILE 76 CO 0.00 -0.04 1.81 1.55 -1.91 0.00 0.00 174.94 176.35 2wdh h PRO 77 N 2.85 0.00 -2.26 3.50 0.13 -1.90 -3.43 132.00 130.88 2wdh h PRO 77 Ca -0.47 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.90 2wdh h PRO 77 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 2wdh h PRO 77 CO 0.60 0.00 0.72 -3.38 -0.23 0.00 0.00 178.00 175.71 2wdh s HIS 78 N -3.45 0.03 -0.12 1.56 -3.43 -1.26 -5.00 115.29 103.63 2wdh s HIS 78 Ca 0.03 -0.29 -0.17 0.00 -0.80 0.00 0.00 55.06 53.83 2wdh s HIS 78 Cb 0.09 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.83 2wdh s HIS 78 CO 0.45 -0.61 0.42 -1.21 -2.00 0.00 0.00 174.74 171.78 2wdh s GLU 79 N -2.20 4.29 0.19 -0.38 8.01 -1.26 -4.38 118.70 122.97 2wdh s GLU 79 Ca 0.23 0.34 0.02 0.00 0.01 0.00 0.00 54.97 55.57 2wdh s GLU 79 Cb -0.01 -3.42 -0.05 0.00 -4.31 0.00 0.00 34.13 26.34 2wdh s GLU 79 CO 0.02 0.22 0.02 0.96 0.01 0.00 0.00 175.26 176.49 2wdh s ILE 80 N 0.47 0.67 -0.02 -1.63 -4.36 -0.45 -4.99 121.20 110.89 2wdh s ILE 80 Ca 0.23 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 2wdh s ILE 80 Cb -0.15 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.34 2wdh s ILE 80 CO 0.08 -0.36 -0.01 -1.61 0.24 0.00 0.00 174.94 173.28 2wdh s GLU 81 N -3.94 0.31 -0.07 0.37 2.02 -1.26 -1.47 118.70 114.66 2wdh s GLU 81 Ca 0.27 0.00 -0.00 0.00 0.02 0.00 0.00 54.97 55.27 2wdh s GLU 81 Cb 0.06 -0.42 0.02 0.00 0.10 0.00 0.00 34.13 33.90 2wdh s GLU 81 CO 0.06 -0.06 -0.03 0.08 0.02 0.00 0.00 175.26 175.33 2wdh s VAL 82 N 0.64 0.57 -0.50 2.63 1.01 -0.71 -4.97 120.40 119.08 2wdh s VAL 82 Ca -0.06 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 2wdh s VAL 82 Cb -0.10 -0.65 0.11 0.00 0.00 0.00 0.00 36.38 35.74 2wdh s VAL 82 CO -0.01 0.27 0.42 -1.61 0.00 0.00 0.00 175.10 174.17 2wdh s GLU 83 N 1.47 2.87 -1.41 2.72 2.02 -1.26 -2.33 118.70 122.78 2wdh s GLU 83 Ca -0.02 -1.60 -0.09 0.00 0.02 0.00 0.00 54.97 53.28 2wdh s GLU 83 Cb -0.13 -4.15 0.07 0.00 0.10 0.00 0.00 34.13 30.02 2wdh s GLU 83 CO -0.03 -1.19 2.36 0.34 0.02 0.00 0.00 175.26 176.75 2wdh n PHE 84 N 5.15 2.81 0.00 1.61 7.35 0.56 -4.87 117.46 130.08 2wdh n PHE 84 Ca -0.12 -2.90 0.00 0.00 -0.76 0.00 0.00 57.45 53.66 2wdh n PHE 84 Cb 0.41 -2.15 0.00 0.00 0.35 0.00 0.00 39.48 38.09 2wdh n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wdh n GLY 85 N 2.87 0.26 0.22 7.13 0.00 -1.26 -2.71 105.19 111.70 2wdh n GLY 85 Ca 0.58 0.52 -0.07 0.00 0.00 0.00 0.00 46.02 47.05 2wdh n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdh h ALA 86 N -0.72 -0.76 -1.97 4.61 0.00 -1.96 -3.45 119.26 115.02 2wdh h ALA 86 Ca 0.00 -0.05 -0.45 0.00 0.00 0.00 0.00 54.91 54.41 2wdh h ALA 86 Cb 0.00 0.65 0.03 0.00 0.00 0.00 0.00 17.79 18.46 2wdh h ALA 86 CO 0.00 -0.81 -0.13 -1.12 0.00 0.00 0.00 179.25 177.18 2wdh s SER 87 N -3.42 5.76 0.16 0.00 0.01 -1.10 -2.68 113.70 112.43 2wdh s SER 87 Ca -0.07 0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.36 2wdh s SER 87 Cb 0.03 -1.35 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 2wdh s SER 87 CO 0.27 -0.73 -0.05 -0.75 0.41 0.00 0.00 173.24 172.39 2wdh s LYS 88 N -4.52 1.09 -0.27 12.44 2.20 -0.51 -0.32 119.74 129.85 2wdh s LYS 88 Ca 0.49 -1.50 -0.23 0.00 -0.36 0.00 0.00 55.97 54.37 2wdh s LYS 88 Cb -0.10 -0.47 0.08 0.00 -1.51 0.00 0.00 37.83 35.83 2wdh s LYS 88 CO 0.37 -0.03 0.76 -1.50 -0.36 0.00 0.00 175.35 174.59 2wdh s ILE 89 N -3.48 0.00 -0.03 5.43 2.07 -0.99 -2.98 121.20 121.23 2wdh s ILE 89 Ca 0.20 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.51 2wdh s ILE 89 Cb 0.04 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 2wdh s ILE 89 CO 0.02 0.00 -0.24 0.68 -1.91 0.00 0.00 174.94 173.49 2wdh s VAL 90 N 0.57 2.24 -0.08 4.00 -7.23 -0.35 -1.73 120.40 117.81 2wdh s VAL 90 Ca -0.01 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2wdh s VAL 90 Cb -0.05 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.12 2wdh s VAL 90 CO -0.04 0.58 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.51 2wdh s LEU 91 N -0.62 1.21 -0.07 1.32 1.02 -0.54 -2.43 118.68 118.57 2wdh s LEU 91 Ca 0.10 -0.23 0.03 0.00 0.02 0.00 0.00 54.13 54.05 2wdh s LEU 91 Cb -0.10 -0.69 0.01 0.00 0.02 0.00 0.00 46.19 45.43 2wdh s LEU 91 CO -0.01 -0.08 -0.14 -0.54 0.02 0.00 0.00 176.35 175.60 2wdh s LYS 92 N 1.36 1.86 0.38 1.70 1.02 0.24 -1.34 119.74 124.96 2wdh s LYS 92 Ca -0.03 -0.49 -0.27 0.00 0.02 0.00 0.00 55.97 55.20 2wdh s LYS 92 Cb -0.14 -1.52 -0.11 0.00 -0.52 0.00 0.00 37.83 35.54 2wdh s LYS 92 CO -0.03 0.08 1.29 -0.35 -0.92 0.00 0.00 175.35 175.42 2wdh n PRO 93 N 3.68 2.08 -4.47 -1.68 -0.04 -1.26 0.60 135.00 133.92 2wdh n PRO 93 Ca -0.22 0.73 -0.31 0.00 -0.04 0.00 0.00 63.50 63.67 2wdh n PRO 93 Cb 0.52 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 2wdh n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdh s ALA 94 N -1.14 4.32 -0.02 0.55 0.00 -1.21 -4.63 121.76 119.62 2wdh s ALA 94 Ca 0.57 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.95 2wdh s ALA 94 Cb -0.54 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 2wdh s ALA 94 CO 0.61 -0.17 0.24 0.00 0.00 0.00 0.00 175.76 176.43 2wdh s ALA 95 N -2.86 3.86 0.34 0.00 0.00 -1.26 -4.88 121.76 116.96 2wdh s ALA 95 Ca 0.13 -0.60 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 2wdh s ALA 95 Cb -0.00 -2.04 -0.13 0.00 0.00 0.00 0.00 23.12 20.95 2wdh s ALA 95 CO 0.08 0.65 0.95 -2.30 0.00 0.00 0.00 175.76 175.14 2wdh n PRO 96 N 1.30 1.24 -2.59 0.00 -0.02 -1.26 -2.52 135.00 131.15 2wdh n PRO 96 Ca -0.13 0.44 -0.05 0.00 -2.02 0.00 0.00 63.50 61.74 2wdh n PRO 96 Cb 0.53 -1.85 0.01 0.00 -0.02 0.00 0.00 33.50 32.18 2wdh n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdh n GLY 97 N 1.28 0.49 0.01 -1.23 0.00 -1.26 -4.93 105.19 99.55 2wdh n GLY 97 Ca 0.10 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.62 2wdh n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdh n THR 98 N -3.32 0.10 -0.31 2.61 -1.04 -1.05 -5.13 114.28 106.14 2wdh n THR 98 Ca -0.01 -0.16 0.04 0.00 -2.04 0.00 0.00 64.05 61.88 2wdh n THR 98 Cb 0.52 0.02 -0.01 0.00 -1.82 0.00 0.00 70.33 69.04 2wdh n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdh n GLY 99 N 2.32 -1.73 3.27 3.41 0.00 -1.17 -4.70 105.19 106.58 2wdh n GLY 99 Ca -0.03 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 2wdh n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdh s VAL 100 N -1.74 4.44 -0.64 1.61 1.01 -1.24 -3.21 120.40 120.64 2wdh s VAL 100 Ca 0.00 -1.50 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 2wdh s VAL 100 Cb 0.00 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.68 2wdh s VAL 100 CO 0.00 -0.64 0.84 0.27 0.00 0.00 0.00 175.10 175.57 2wdh s ILE 101 N 1.45 4.59 0.13 2.22 -0.00 -1.14 -4.99 121.20 123.44 2wdh s ILE 101 Ca 0.04 -0.72 -0.16 0.00 -0.00 0.00 0.00 60.65 59.81 2wdh s ILE 101 Cb -0.25 -4.59 0.03 0.00 -0.00 0.00 0.00 42.46 37.65 2wdh s ILE 101 CO 0.02 -1.30 0.39 0.00 -0.00 0.00 0.00 174.94 174.05 2wdh s ALA 102 N 3.32 -0.88 1.37 2.27 0.00 -1.26 -2.66 121.76 123.92 2wdh s ALA 102 Ca 0.17 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.82 2wdh s ALA 102 Cb -0.20 0.69 0.32 0.00 0.00 0.00 0.00 23.12 23.93 2wdh s ALA 102 CO 0.07 -0.64 0.87 0.41 0.00 0.00 0.00 175.76 176.48 2wdh n GLY 103 N -0.22 -3.50 0.00 0.00 0.00 -1.26 -4.61 105.19 95.60 2wdh n GLY 103 Ca -0.16 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2wdh n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdh n ALA 104 N -5.27 -0.08 -0.07 4.61 0.00 -1.26 -2.39 120.51 116.05 2wdh n ALA 104 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2wdh n ALA 104 Cb 0.55 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 20.13 2wdh n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdh h VAL 105 N 0.00 0.00 -1.03 0.00 2.07 -1.98 -0.70 116.25 114.61 2wdh h VAL 105 Ca 0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 2wdh h VAL 105 Cb 0.00 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.67 2wdh h VAL 105 CO 0.00 0.00 0.66 1.55 0.02 0.00 0.00 177.57 179.80 2wdh h PRO 106 N -0.39 0.42 0.29 1.57 0.13 -1.92 -1.54 132.00 130.55 2wdh h PRO 106 Ca 0.05 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2wdh h PRO 106 Cb 0.52 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2wdh h PRO 106 CO -0.44 0.28 -0.14 -0.09 -0.23 0.00 0.00 178.00 177.38 2wdh h ARG 107 N 0.43 -0.38 -0.80 0.86 2.43 -1.08 -2.56 114.38 113.28 2wdh h ARG 107 Ca 0.60 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 60.02 2wdh h ARG 107 Cb 1.44 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 31.05 2wdh h ARG 107 CO -0.32 -0.09 1.12 0.00 -1.51 0.00 0.00 179.97 179.17 2wdh h ALA 108 N -0.73 2.72 0.00 2.80 0.00 -0.14 0.17 119.26 124.07 2wdh h ALA 108 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wdh h ALA 108 Cb 0.46 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wdh h ALA 108 CO 0.07 -1.53 -0.46 -0.89 0.00 0.00 0.00 179.25 176.44 2wdh n ILE 109 N -3.14 1.16 0.12 0.00 5.41 -0.90 -4.35 119.36 117.66 2wdh n ILE 109 Ca 0.18 0.26 0.20 0.00 1.00 0.00 0.00 62.75 64.39 2wdh n ILE 109 Cb 1.36 -2.22 0.75 0.00 -0.71 0.00 0.00 39.64 38.81 2wdh n ILE 109 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wdh h LEU 110 N -0.81 0.00 0.15 1.39 3.38 -0.68 -1.13 115.31 117.61 2wdh h LEU 110 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wdh h LEU 110 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2wdh h LEU 110 CO 0.00 0.00 -0.07 -0.33 0.09 0.00 0.00 178.44 178.13 2wdh h GLU 111 N 0.00 -0.20 0.00 1.13 5.08 -1.25 -0.95 114.58 118.39 2wdh h GLU 111 Ca 0.17 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2wdh h GLU 111 Cb 1.04 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2wdh h GLU 111 CO -0.00 0.11 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.01 2wdh h LEU 112 N -0.52 0.00 -1.51 1.33 3.38 -1.56 -2.23 115.31 114.20 2wdh h LEU 112 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2wdh h LEU 112 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wdh h LEU 112 CO 0.03 0.04 -0.13 0.00 0.09 0.00 0.00 178.44 178.48 2wdh h ALA 113 N 1.96 1.08 0.00 1.53 0.00 -1.11 -0.20 119.26 122.52 2wdh h ALA 113 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wdh h ALA 113 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wdh h ALA 113 CO 0.01 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2wdh n GLY 114 N -0.16 0.73 3.36 0.00 0.00 -0.84 -1.33 105.19 106.96 2wdh n GLY 114 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2wdh n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdh s VAL 115 N -1.38 2.87 -0.02 1.61 1.01 -0.38 -4.69 120.40 119.42 2wdh s VAL 115 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.30 2wdh s VAL 115 Cb 0.00 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.12 2wdh s VAL 115 CO 0.00 0.54 0.12 0.41 0.00 0.00 0.00 175.10 176.17 2wdh n THR 116 N 3.30 0.06 -3.51 3.92 -1.04 0.47 -4.57 114.28 112.91 2wdh n THR 116 Ca -0.18 -0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.45 2wdh n THR 116 Cb 0.53 0.16 -0.14 0.00 -1.82 0.00 0.00 70.33 69.06 2wdh n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2wdh s ASP 117 N -2.87 2.18 -0.14 8.00 1.01 -1.06 -3.07 116.67 120.72 2wdh s ASP 117 Ca -0.02 -0.67 -0.19 0.00 0.71 0.00 0.00 52.55 52.38 2wdh s ASP 117 Cb 0.04 0.08 0.05 0.00 1.01 0.00 0.00 42.92 44.09 2wdh s ASP 117 CO 0.25 -0.37 0.49 -0.51 0.21 0.00 0.00 175.17 175.24 2wdh s ILE 118 N 2.23 0.01 -0.16 0.77 1.10 -1.20 -3.31 121.20 120.65 2wdh s ILE 118 Ca 0.07 -0.09 -0.07 0.00 -0.51 0.00 0.00 60.65 60.04 2wdh s ILE 118 Cb -0.16 -0.73 -0.04 0.00 0.15 0.00 0.00 42.46 41.68 2wdh s ILE 118 CO -0.21 -0.05 0.08 -0.76 -2.11 0.00 0.00 174.94 171.89 2wdh s LEU 119 N -0.25 3.93 -0.02 8.50 1.43 0.20 -2.91 118.68 129.56 2wdh s LEU 119 Ca -0.04 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 2wdh s LEU 119 Cb -0.03 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2wdh s LEU 119 CO 0.03 0.24 0.26 0.42 0.23 0.00 0.00 176.35 177.53 2wdh s THR 120 N -0.01 0.06 -0.02 5.49 -4.23 -1.09 0.81 115.64 116.65 2wdh s THR 120 Ca 0.07 -0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2wdh s THR 120 Cb -0.12 -0.54 0.01 0.00 1.34 0.00 0.00 72.50 73.19 2wdh s THR 120 CO 0.01 -0.26 0.06 -0.75 -0.54 0.00 0.00 174.62 173.14 2wdh s LYS 121 N -1.16 0.10 -0.30 3.99 2.47 -1.02 -4.65 119.74 119.18 2wdh s LYS 121 Ca -0.12 0.05 -0.11 0.00 -1.56 0.00 0.00 55.97 54.23 2wdh s LYS 121 Cb -0.05 0.05 -0.03 0.00 -1.46 0.00 0.00 37.83 36.33 2wdh s LYS 121 CO 0.03 -0.01 0.19 -1.21 0.16 0.00 0.00 175.35 174.50 2wdh s GLU 122 N -0.07 3.68 0.30 4.03 2.02 -1.26 -1.22 118.70 126.18 2wdh s GLU 122 Ca -0.01 -0.50 0.11 0.00 0.02 0.00 0.00 54.97 54.59 2wdh s GLU 122 Cb -0.01 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 2wdh s GLU 122 CO 0.00 -0.30 -0.11 -0.51 0.02 0.00 0.00 175.26 174.36 2wdh s LEU 123 N 1.71 2.79 0.00 1.80 1.43 -1.16 -5.01 118.68 120.24 2wdh s LEU 123 Ca 0.06 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2wdh s LEU 123 Cb -0.16 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.81 2wdh s LEU 123 CO 0.09 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.24 2wdh n GLY 124 N -0.75 0.41 3.50 -3.19 0.00 -1.26 -1.43 105.19 102.46 2wdh n GLY 124 Ca -0.05 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 2wdh n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wdh n SER 125 N -0.59 -0.66 -0.00 1.61 2.88 -1.09 -4.83 113.62 110.94 2wdh n SER 125 Ca 0.00 0.76 0.04 0.00 -1.33 0.00 0.00 58.87 58.35 2wdh n SER 125 Cb 0.00 -1.21 -0.06 0.00 -0.75 0.00 0.00 64.21 62.19 2wdh n SER 125 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2wdh n ARG 126 N -0.19 3.08 -1.69 -1.46 0.63 -1.26 -4.21 116.66 111.55 2wdh n ARG 126 Ca 0.12 -0.02 -0.64 0.00 -0.92 0.00 0.00 57.85 56.39 2wdh n ARG 126 Cb 0.47 -0.99 -0.09 0.00 0.45 0.00 0.00 32.46 32.29 2wdh n ARG 126 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2wdh n ASN 127 N -1.37 1.21 0.00 6.15 2.85 -1.26 -4.74 115.26 118.10 2wdh n ASN 127 Ca 0.01 1.16 0.00 0.00 -0.11 0.00 0.00 54.58 55.64 2wdh n ASN 127 Cb 0.16 -0.94 0.00 0.00 1.24 0.00 0.00 39.78 40.24 2wdh n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2wdh n PRO 128 N 3.72 0.00 -0.35 1.20 -0.02 -1.26 -0.66 135.00 137.63 2wdh n PRO 128 Ca 0.28 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 62.42 2wdh n PRO 128 Cb 0.01 -1.24 -0.08 0.00 -0.02 0.00 0.00 33.50 32.16 2wdh n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wdh n ILE 129 N -2.09 -0.57 -0.05 4.25 5.41 -1.26 -0.22 119.36 124.83 2wdh n ILE 129 Ca 0.00 2.25 0.03 0.00 1.00 0.00 0.00 62.75 66.03 2wdh n ILE 129 Cb 0.00 -2.80 0.38 0.00 -0.71 0.00 0.00 39.64 36.51 2wdh n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2wdh h ASN 130 N 0.00 0.57 -0.23 4.38 2.35 -1.89 -1.41 115.58 119.36 2wdh h ASN 130 Ca 0.13 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 2wdh h ASN 130 Cb 0.34 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2wdh h ASN 130 CO -0.79 0.41 -0.11 0.40 -1.65 0.00 0.00 177.43 175.70 2wdh h ILE 131 N 0.67 1.30 0.00 2.81 1.08 0.11 -1.94 117.51 121.54 2wdh h ILE 131 Ca 0.18 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 2wdh h ILE 131 Cb -0.07 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2wdh h ILE 131 CO -0.04 0.36 0.00 0.00 -0.69 0.00 0.00 178.15 177.78 2wdh n ALA 132 N -2.41 -0.23 -0.29 1.87 0.00 0.70 0.23 120.51 120.38 2wdh n ALA 132 Ca -0.04 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.68 2wdh n ALA 132 Cb 0.33 0.21 0.53 0.00 0.00 0.00 0.00 19.45 20.52 2wdh n ALA 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdh n TYR 133 N -2.18 1.05 0.10 0.00 4.02 -0.58 0.97 117.16 120.53 2wdh n TYR 133 Ca 0.00 1.06 -0.13 0.00 -0.01 0.00 0.00 57.90 58.81 2wdh n TYR 133 Cb 0.00 -1.47 -0.08 0.00 -0.02 0.00 0.00 39.34 37.77 2wdh n TYR 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdh h ALA 134 N 1.79 -0.24 -0.53 -0.72 0.00 -0.28 -2.67 119.26 116.60 2wdh h ALA 134 Ca 0.76 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.63 2wdh h ALA 134 Cb 2.03 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.80 2wdh h ALA 134 CO -0.69 -0.51 -0.24 1.15 0.00 0.00 0.00 179.25 178.96 2wdh h THR 135 N -0.50 0.29 0.00 0.00 2.02 0.50 -2.15 112.91 113.08 2wdh h THR 135 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2wdh h THR 135 Cb 0.38 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2wdh h THR 135 CO 0.04 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.16 2wdh n MET 136 N -5.42 0.00 0.05 6.66 2.00 -0.63 -1.48 117.12 118.30 2wdh n MET 136 Ca 0.04 0.46 0.01 0.00 0.00 0.00 0.00 57.70 58.21 2wdh n MET 136 Cb 0.33 -1.27 0.04 0.00 0.00 0.00 0.00 33.22 32.32 2wdh n MET 136 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2wdh n GLU 137 N -1.59 0.01 -0.06 0.03 0.00 -1.02 0.51 120.64 118.52 2wdh n GLU 137 Ca 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 57.16 57.30 2wdh n GLU 137 Cb 0.00 -2.00 -0.08 0.00 0.00 0.00 0.00 31.44 29.36 2wdh n GLU 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wdh h ALA 138 N 0.41 0.00 -0.68 4.31 0.00 -0.58 -3.19 119.26 119.53 2wdh h ALA 138 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.68 2wdh h ALA 138 Cb 0.92 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2wdh h ALA 138 CO 0.00 0.00 0.45 -0.07 0.00 0.00 0.00 179.25 179.63 2wdh h LEU 139 N -1.00 0.52 -2.09 0.00 3.38 0.35 0.17 115.31 116.64 2wdh h LEU 139 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wdh h LEU 139 Cb 0.64 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2wdh h LEU 139 CO -0.00 0.32 -0.07 -0.09 0.09 0.00 0.00 178.44 178.69 2wdh h ARG 140 N 0.58 0.00 -0.69 1.13 2.43 -1.56 -2.14 114.38 114.13 2wdh h ARG 140 Ca 0.31 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.40 2wdh h ARG 140 Cb 0.44 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 2wdh h ARG 140 CO -0.10 0.07 0.09 1.04 -1.51 0.00 0.00 179.97 179.56 2wdh n GLN 141 N -3.43 4.06 -3.48 0.20 6.02 0.61 -4.94 117.38 116.42 2wdh n GLN 141 Ca -0.02 -2.74 -0.38 0.00 -0.01 0.00 0.00 57.00 53.86 2wdh n GLN 141 Cb 0.21 -2.15 -0.06 0.00 1.02 0.00 0.00 30.24 29.25 2wdh n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wdh s LEU 142 N -2.49 4.44 -0.02 1.08 1.43 -0.81 -5.08 118.68 117.24 2wdh s LEU 142 Ca 0.48 0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 54.51 2wdh s LEU 142 Cb 0.37 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 44.03 2wdh s LEU 142 CO 0.13 0.27 0.03 -0.13 0.23 0.00 0.00 176.35 176.89 2wdh s ARG 143 N -0.80 -0.04 0.54 1.70 1.81 -1.26 -4.94 118.95 115.95 2wdh s ARG 143 Ca 0.24 0.22 -0.09 0.00 -1.72 0.00 0.00 55.73 54.38 2wdh s ARG 143 Cb -0.16 -0.30 -0.04 0.00 -0.45 0.00 0.00 34.95 34.00 2wdh s ARG 143 CO 0.13 -0.20 0.91 0.95 -0.68 0.00 0.00 175.30 176.41 2wdh s THR 144 N 1.27 4.78 0.62 0.02 -4.23 -1.26 -4.83 115.64 112.01 2wdh s THR 144 Ca -0.07 0.62 0.25 0.00 -1.18 0.00 0.00 61.69 61.31 2wdh s THR 144 Cb -0.13 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 70.18 2wdh s THR 144 CO -0.03 -0.95 1.69 0.50 -0.54 0.00 0.00 174.62 175.29 2wdh h LYS 145 N 0.12 0.00 0.00 3.99 3.11 -1.99 -2.35 116.57 119.45 2wdh h LYS 145 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2wdh h LYS 145 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2wdh h LYS 145 CO 0.62 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 177.26 2wdh n ALA 146 N -2.11 0.00 0.05 5.00 0.00 -1.26 -1.87 120.51 120.32 2wdh n ALA 146 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.66 2wdh n ALA 146 Cb 0.79 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.46 2wdh n ALA 146 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2wdh h ASP 147 N 0.00 0.00 0.31 0.00 -0.00 -1.90 0.69 116.42 115.52 2wdh h ASP 147 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.01 2wdh h ASP 147 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2wdh h ASP 147 CO 0.00 0.00 -0.15 0.58 -0.00 0.00 0.00 179.24 179.67 2wdh h VAL 148 N 0.00 0.71 -0.95 4.15 2.07 -1.39 -2.84 116.25 118.00 2wdh h VAL 148 Ca 0.25 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2wdh h VAL 148 Cb 2.48 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 33.17 2wdh h VAL 148 CO -0.00 0.09 0.63 -0.33 0.02 0.00 0.00 177.57 177.98 2wdh h GLU 149 N -0.68 1.22 0.00 1.57 4.39 0.11 0.01 114.58 121.21 2wdh h GLU 149 Ca -0.04 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2wdh h GLU 149 Cb 0.47 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2wdh h GLU 149 CO 0.07 0.81 0.05 -2.13 -1.16 0.00 0.00 179.01 176.65 2wdh n ARG 150 N -4.40 0.08 -0.09 2.33 0.63 -0.99 -1.07 116.66 113.16 2wdh n ARG 150 Ca 0.12 0.56 -0.09 0.00 -0.92 0.00 0.00 57.85 57.52 2wdh n ARG 150 Cb 0.04 -1.82 -0.14 0.00 0.45 0.00 0.00 32.46 31.00 2wdh n ARG 150 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wdh n LEU 151 N -1.94 0.15 -3.72 6.15 4.77 -0.05 -4.52 117.00 117.84 2wdh n LEU 151 Ca -0.01 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 2wdh n LEU 151 Cb 0.07 0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2wdh n LEU 151 CO 0.06 0.45 1.20 0.54 -1.33 0.00 0.00 177.39 178.31 2wdh n ARG 152 N -2.67 4.87 0.00 3.23 1.74 -0.23 -4.94 116.66 118.66 2wdh n ARG 152 Ca -0.29 -4.64 0.00 0.00 -0.77 0.00 0.00 57.85 52.15 2wdh n ARG 152 Cb 1.06 -2.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2wdh n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdh n LYS 153 N 0.46 3.81 0.00 5.56 4.76 -1.20 -4.90 118.16 126.66 2wdh n LYS 153 Ca 0.38 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 2wdh n LYS 153 Cb 0.30 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.49 2wdh n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdh n GLY 154 N 5.00 -1.38 0.00 0.72 0.00 -1.26 -5.14 105.19 103.13 2wdh n GLY 154 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2wdh n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11