#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdk n PHE 6 N 0.00 0.03 0.24 2.11 3.01 -1.26 -5.01 117.46 116.58 2wdk n PHE 6 Ca 0.00 -0.56 -0.15 0.00 1.01 0.00 0.00 57.45 57.75 2wdk n PHE 6 Cb 0.00 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 2wdk n PHE 6 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2wdk h GLU 7 N 0.00 -0.56 -4.11 -1.08 4.57 -1.09 -3.48 114.58 108.82 2wdk h GLU 7 Ca -0.07 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2wdk h GLU 7 Cb 0.26 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2wdk h GLU 7 CO 0.11 -0.31 -0.80 -1.91 -1.18 0.00 0.00 179.01 174.93 2wdk n GLU 8 N -5.29 -4.52 -3.73 1.92 2.13 -1.25 -4.95 120.64 104.95 2wdk n GLU 8 Ca -0.11 3.22 -0.13 0.00 0.66 0.00 0.00 57.16 60.80 2wdk n GLU 8 Cb 0.28 -3.61 -0.10 0.00 0.27 0.00 0.00 31.44 28.28 2wdk n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wdk s LYS 9 N -1.10 0.51 -0.18 5.31 2.20 0.82 -4.98 119.74 122.32 2wdk s LYS 9 Ca 0.00 0.53 -0.09 0.00 -0.36 0.00 0.00 55.97 56.05 2wdk s LYS 9 Cb 0.00 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 2wdk s LYS 9 CO 0.00 -0.07 0.13 1.41 -0.36 0.00 0.00 175.35 176.46 2wdk s MET 10 N 0.10 3.96 -0.12 4.03 -2.45 -1.26 0.14 119.30 123.71 2wdk s MET 10 Ca -0.01 -0.21 -0.08 0.00 -1.25 0.00 0.00 55.69 54.14 2wdk s MET 10 Cb -0.03 -3.34 -0.26 0.00 1.25 0.00 0.00 34.83 32.45 2wdk s MET 10 CO 0.01 0.43 0.38 0.82 1.05 0.00 0.00 175.02 177.71 2wdk h ILE 11 N 4.50 0.66 -3.98 10.11 2.04 -1.38 -3.48 117.51 125.98 2wdk h ILE 11 Ca -0.45 -2.34 -0.36 0.00 1.00 0.00 0.00 64.86 62.72 2wdk h ILE 11 Cb 1.17 2.51 -0.24 0.00 -0.74 0.00 0.00 36.82 39.52 2wdk h ILE 11 CO 0.71 0.87 -0.76 -0.22 0.00 0.00 0.00 178.15 178.74 2wdk s LEU 12 N -7.11 2.16 -0.02 1.44 1.98 -1.04 -5.00 118.68 111.09 2wdk s LEU 12 Ca -0.22 -0.40 -0.02 0.00 -2.89 0.00 0.00 54.13 50.59 2wdk s LEU 12 Cb 0.06 -0.37 0.00 0.00 0.66 0.00 0.00 46.19 46.55 2wdk s LEU 12 CO 0.77 -0.04 0.06 -0.63 -1.89 0.00 0.00 176.35 174.61 2wdk s ILE 13 N -0.86 0.01 -0.06 6.68 1.01 -1.25 0.29 121.20 127.02 2wdk s ILE 13 Ca -0.02 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 2wdk s ILE 13 Cb -0.07 -0.11 0.08 0.00 0.01 0.00 0.00 42.46 42.37 2wdk s ILE 13 CO 0.01 -0.04 0.73 0.00 0.00 0.00 0.00 174.94 175.64 2wdk s ARG 14 N -0.08 0.99 -0.18 2.79 1.70 -0.69 -4.96 118.95 118.52 2wdk s ARG 14 Ca -0.01 0.20 -0.05 0.00 -0.47 0.00 0.00 55.73 55.40 2wdk s ARG 14 Cb -0.01 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 2wdk s ARG 14 CO 0.00 -0.32 -0.01 0.50 -1.08 0.00 0.00 175.30 174.39 2wdk s ARG 15 N -1.33 3.68 0.00 3.89 3.52 -1.26 0.88 118.95 128.33 2wdk s ARG 15 Ca -0.09 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 2wdk s ARG 15 Cb -0.00 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 2wdk s ARG 15 CO 0.07 0.15 0.00 0.25 -0.81 0.00 0.00 175.30 174.96 2wdk n THR 16 N 3.83 0.00 0.00 4.11 -2.24 0.05 -4.96 114.28 115.07 2wdk n THR 16 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2wdk n THR 16 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2wdk n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdk n ALA 17 N -3.00 0.00 -3.28 6.98 0.00 -1.26 -4.29 120.51 115.65 2wdk n ALA 17 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2wdk n ALA 17 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2wdk n ALA 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2wdk s ARG 18 N -1.86 0.84 0.68 0.00 1.70 -0.51 -4.99 118.95 114.81 2wdk s ARG 18 Ca 0.00 -0.20 -0.13 0.00 -0.47 0.00 0.00 55.73 54.93 2wdk s ARG 18 Cb 0.00 -0.81 0.01 0.00 -0.57 0.00 0.00 34.95 33.58 2wdk s ARG 18 CO 0.00 0.02 1.09 -1.64 -1.08 0.00 0.00 175.30 173.69 2wdk s MET 19 N 0.49 2.76 0.00 3.89 -1.94 -1.26 -2.24 119.30 120.99 2wdk s MET 19 Ca -0.07 1.24 0.00 0.00 -1.71 0.00 0.00 55.69 55.15 2wdk s MET 19 Cb -0.11 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.78 2wdk s MET 19 CO 0.00 -1.26 0.00 0.94 -0.01 0.00 0.00 175.02 174.69 2wdk n GLN 20 N -2.76 0.00 0.00 2.03 0.00 -0.74 -4.89 117.38 111.02 2wdk n GLN 20 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 2wdk n GLN 20 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.77 2wdk n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wdk n ALA 21 N 0.00 -0.39 0.00 1.69 0.00 -1.26 -0.96 120.51 119.59 2wdk n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wdk n ALA 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wdk n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdk n GLY 22 N 0.00 3.05 0.00 0.00 0.00 -1.26 -4.92 105.19 102.06 2wdk n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdk n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdk n GLY 23 N -1.17 -0.50 3.08 -0.02 0.00 -0.14 -5.10 105.19 101.34 2wdk n GLY 23 Ca 0.00 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2wdk n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wdk s ARG 24 N -1.87 2.57 0.01 1.61 1.70 -1.26 -1.80 118.95 119.92 2wdk s ARG 24 Ca 0.00 -0.98 -0.17 0.00 -0.47 0.00 0.00 55.73 54.12 2wdk s ARG 24 Cb 0.00 -2.62 -0.06 0.00 -0.57 0.00 0.00 34.95 31.70 2wdk s ARG 24 CO 0.00 -0.36 0.48 0.50 -1.08 0.00 0.00 175.30 174.84 2wdk s ARG 25 N 1.26 4.08 0.53 3.89 3.52 -0.95 -4.87 118.95 126.41 2wdk s ARG 25 Ca -0.00 0.54 0.08 0.00 -0.13 0.00 0.00 55.73 56.22 2wdk s ARG 25 Cb -0.16 -3.25 0.05 0.00 -1.56 0.00 0.00 34.95 30.03 2wdk s ARG 25 CO -0.10 0.61 0.57 -0.06 -0.81 0.00 0.00 175.30 175.51 2wdk s PHE 26 N -0.88 1.77 0.14 5.12 0.40 -1.26 -1.43 117.98 121.84 2wdk s PHE 26 Ca 0.26 -0.71 -0.18 0.00 -0.60 0.00 0.00 56.93 55.70 2wdk s PHE 26 Cb -0.18 -2.10 0.04 0.00 0.51 0.00 0.00 43.02 41.29 2wdk s PHE 26 CO 0.15 -0.70 0.46 0.50 0.70 0.00 0.00 175.22 176.33 2wdk s ARG 27 N -4.42 1.14 -0.05 0.44 3.52 -1.26 -4.72 118.95 113.61 2wdk s ARG 27 Ca 0.49 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.48 2wdk s ARG 27 Cb -0.04 0.50 -0.00 0.00 -1.56 0.00 0.00 34.95 33.85 2wdk s ARG 27 CO 0.30 -0.46 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.09 2wdk s PHE 28 N -3.79 1.80 -0.07 5.12 0.40 -0.95 -0.77 117.98 119.72 2wdk s PHE 28 Ca 0.03 -0.52 -0.13 0.00 -0.60 0.00 0.00 56.93 55.71 2wdk s PHE 28 Cb 0.01 -1.21 -0.05 0.00 0.51 0.00 0.00 43.02 42.28 2wdk s PHE 28 CO -0.12 -0.17 0.33 0.20 0.70 0.00 0.00 175.22 176.16 2wdk s GLY 29 N 0.02 2.34 -0.23 4.36 0.00 0.25 -2.74 107.32 111.32 2wdk s GLY 29 Ca -0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.30 2wdk s GLY 29 CO 0.02 0.13 0.04 0.00 0.00 0.00 0.00 173.10 173.29 2wdk s ALA 30 N -0.61 1.30 -0.30 3.20 0.00 -0.38 -1.70 121.76 123.27 2wdk s ALA 30 Ca 0.20 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 2wdk s ALA 30 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2wdk s ALA 30 CO 0.09 -1.32 0.19 -1.17 0.00 0.00 0.00 175.76 173.55 2wdk s LEU 31 N 1.72 4.12 -0.01 0.00 1.98 0.15 -1.28 118.68 125.36 2wdk s LEU 31 Ca 0.01 -0.16 0.04 0.00 -2.89 0.00 0.00 54.13 51.13 2wdk s LEU 31 Cb -0.17 -2.11 -0.01 0.00 0.66 0.00 0.00 46.19 44.56 2wdk s LEU 31 CO -0.13 -0.11 -0.12 -0.69 -1.89 0.00 0.00 176.35 173.41 2wdk s VAL 32 N 1.73 0.99 0.08 1.68 1.01 -0.19 -0.89 120.40 124.81 2wdk s VAL 32 Ca 0.07 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2wdk s VAL 32 Cb -0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2wdk s VAL 32 CO 0.10 0.28 0.06 -0.69 0.00 0.00 0.00 175.10 174.86 2wdk s VAL 33 N -0.23 4.42 -0.07 2.92 1.01 0.38 -1.78 120.40 127.06 2wdk s VAL 33 Ca 0.04 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2wdk s VAL 33 Cb -0.06 -3.12 0.04 0.00 0.00 0.00 0.00 36.38 33.24 2wdk s VAL 33 CO -0.00 0.14 0.13 -0.69 0.00 0.00 0.00 175.10 174.67 2wdk s VAL 34 N -1.36 -0.16 0.22 2.92 1.01 -0.41 -0.13 120.40 122.50 2wdk s VAL 34 Ca 0.28 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 2wdk s VAL 34 Cb -0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2wdk s VAL 34 CO 0.21 0.13 0.37 -0.83 0.00 0.00 0.00 175.10 174.97 2wdk s GLY 35 N 1.86 0.72 -0.01 4.51 0.00 -1.25 -0.46 107.32 112.69 2wdk s GLY 35 Ca -0.01 -1.06 0.07 0.00 0.00 0.00 0.00 44.72 43.72 2wdk s GLY 35 CO -0.05 -0.83 0.19 2.09 0.00 0.00 0.00 173.10 174.50 2wdk n ASP 36 N -0.33 2.33 -0.09 1.64 3.85 -0.97 -0.43 116.55 122.56 2wdk n ASP 36 Ca -0.02 -0.24 -0.00 0.00 -0.71 0.00 0.00 54.79 53.82 2wdk n ASP 36 Cb 0.63 1.19 0.00 0.00 -1.35 0.00 0.00 41.12 41.59 2wdk n ASP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2wdk n ARG 37 N -1.52 -0.03 -0.06 0.11 1.74 -1.15 -4.89 116.66 110.85 2wdk n ARG 37 Ca -0.00 0.01 0.01 0.00 -0.77 0.00 0.00 57.85 57.10 2wdk n ARG 37 Cb 0.15 -3.41 0.01 0.00 -1.02 0.00 0.00 32.46 28.19 2wdk n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wdk n GLN 38 N -0.97 1.04 -0.01 5.56 1.13 -1.22 -4.57 117.38 118.34 2wdk n GLN 38 Ca -0.00 -1.03 0.00 0.00 -1.94 0.00 0.00 57.00 54.03 2wdk n GLN 38 Cb 0.50 -0.73 0.00 0.00 0.11 0.00 0.00 30.24 30.12 2wdk n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wdk n GLY 39 N -0.27 1.75 2.62 1.08 0.00 -0.81 -4.95 105.19 104.61 2wdk n GLY 39 Ca 0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2wdk n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdk s ARG 40 N -0.78 0.16 0.00 1.61 0.52 -1.22 -3.43 118.95 115.82 2wdk s ARG 40 Ca 0.00 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 54.96 2wdk s ARG 40 Cb 0.00 -1.33 -0.01 0.00 0.52 0.00 0.00 34.95 34.13 2wdk s ARG 40 CO 0.00 -0.86 0.02 0.14 0.02 0.00 0.00 175.30 174.62 2wdk s VAL 41 N 2.17 0.06 0.02 3.52 -7.23 -1.25 -2.28 120.40 115.40 2wdk s VAL 41 Ca 0.06 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 2wdk s VAL 41 Cb -0.16 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.58 2wdk s VAL 41 CO -0.24 -0.25 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.45 2wdk s GLY 42 N -0.75 0.19 0.01 2.32 0.00 0.39 -1.76 107.32 107.73 2wdk s GLY 42 Ca -0.08 -0.47 0.05 0.00 0.00 0.00 0.00 44.72 44.22 2wdk s GLY 42 CO -0.00 -0.52 -0.14 -2.27 0.00 0.00 0.00 173.10 170.16 2wdk s LEU 43 N -1.15 2.78 -0.15 0.66 2.96 -1.25 -1.28 118.68 121.24 2wdk s LEU 43 Ca -0.13 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.34 2wdk s LEU 43 Cb -0.08 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 45.04 2wdk s LEU 43 CO -0.01 0.28 0.41 -0.83 -1.32 0.00 0.00 176.35 174.88 2wdk s GLY 44 N -1.28 -0.30 -0.12 7.98 0.00 -0.73 -4.51 107.32 108.36 2wdk s GLY 44 Ca 0.15 1.14 0.03 0.00 0.00 0.00 0.00 44.72 46.03 2wdk s GLY 44 CO 0.05 0.98 -0.22 -0.12 0.00 0.00 0.00 173.10 173.79 2wdk s PHE 45 N 0.20 2.51 0.00 1.90 5.36 -1.26 -1.02 117.98 125.68 2wdk s PHE 45 Ca -0.00 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.80 2wdk s PHE 45 Cb -0.03 -1.71 -0.00 0.00 -0.34 0.00 0.00 43.02 40.94 2wdk s PHE 45 CO 0.01 -0.53 -0.02 0.20 -1.46 0.00 0.00 175.22 173.42 2wdk s GLY 46 N 0.68 0.12 0.36 13.12 0.00 -0.40 -4.87 107.32 116.33 2wdk s GLY 46 Ca -0.11 -0.17 0.08 0.00 0.00 0.00 0.00 44.72 44.52 2wdk s GLY 46 CO 0.02 -0.18 0.03 0.54 0.00 0.00 0.00 173.10 173.51 2wdk s LYS 47 N -0.31 2.05 0.00 2.90 3.01 -1.25 -1.25 119.74 124.88 2wdk s LYS 47 Ca -0.02 -1.85 0.00 0.00 -1.01 0.00 0.00 55.97 53.09 2wdk s LYS 47 Cb -0.02 -1.86 0.00 0.00 -1.01 0.00 0.00 37.83 34.93 2wdk s LYS 47 CO -0.00 0.06 0.00 0.00 0.51 0.00 0.00 175.35 175.92 2wdk n ALA 48 N -0.98 0.00 -0.54 5.17 0.00 -1.11 -4.74 120.51 118.31 2wdk n ALA 48 Ca -0.04 0.00 0.45 0.00 0.00 0.00 0.00 53.44 53.86 2wdk n ALA 48 Cb 0.64 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.87 2wdk n ALA 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wdk h PRO 49 N 0.00 0.00 -6.67 0.00 0.11 -1.90 -2.52 132.00 121.02 2wdk h PRO 49 Ca 0.00 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.45 2wdk h PRO 49 Cb 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 30.87 2wdk h PRO 49 CO 0.00 0.00 -0.86 -2.00 -0.21 0.00 0.00 178.00 174.93 2wdk s GLU 50 N -4.87 1.48 0.00 1.05 2.56 -1.26 -4.69 118.70 112.97 2wdk s GLU 50 Ca -0.05 -1.21 0.00 0.00 0.00 0.00 0.00 54.97 53.71 2wdk s GLU 50 Cb 0.25 -1.81 0.00 0.00 2.00 0.00 0.00 34.13 34.57 2wdk s GLU 50 CO 0.84 0.44 0.86 0.28 -0.56 0.00 0.00 175.26 177.12 2wdk n VAL 51 N 1.30 0.00 -0.20 3.70 0.31 -1.26 -2.34 118.33 119.83 2wdk n VAL 51 Ca -0.18 1.36 0.00 0.00 -0.01 0.00 0.00 64.34 65.51 2wdk n VAL 51 Cb 0.53 -2.14 0.08 0.00 -0.91 0.00 0.00 33.84 31.40 2wdk n VAL 51 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2wdk h PRO 52 N 0.00 0.05 -0.87 5.55 0.11 -1.98 0.32 132.00 135.18 2wdk h PRO 52 Ca 0.00 -0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.35 2wdk h PRO 52 Cb 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 2wdk h PRO 52 CO 0.00 0.03 0.62 1.25 -0.21 0.00 0.00 178.00 179.70 2wdk h LEU 53 N 0.05 0.04 0.08 2.35 6.46 -1.94 1.54 115.31 123.89 2wdk h LEU 53 Ca 0.31 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.77 2wdk h LEU 53 Cb 0.49 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 2wdk h LEU 53 CO -0.58 0.01 -1.56 0.00 -0.62 0.00 0.00 178.44 175.69 2wdk h ALA 54 N 1.57 0.40 -0.03 1.25 0.00 -0.09 -1.55 119.26 120.81 2wdk h ALA 54 Ca 0.42 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 2wdk h ALA 54 Cb 1.62 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2wdk h ALA 54 CO -0.02 1.26 -0.00 0.28 0.00 0.00 0.00 179.25 180.77 2wdk h VAL 55 N 0.05 1.27 -0.09 0.00 2.07 0.19 0.38 116.25 120.11 2wdk h VAL 55 Ca -0.25 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.51 2wdk h VAL 55 Cb 1.99 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 2wdk h VAL 55 CO 0.13 0.22 -0.15 -0.61 0.02 0.00 0.00 177.57 177.18 2wdk h GLN 56 N -0.26 -0.20 -0.84 1.57 -0.00 0.18 0.54 115.11 116.10 2wdk h GLN 56 Ca 0.01 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.74 2wdk h GLN 56 Cb 0.35 0.05 -0.06 0.00 0.00 0.00 0.00 27.48 27.81 2wdk h GLN 56 CO 0.00 -0.13 0.51 -0.22 0.00 0.00 0.00 178.83 178.99 2wdk h LYS 57 N -0.21 0.89 -0.66 1.69 3.64 -1.08 0.69 116.57 121.54 2wdk h LYS 57 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wdk h LYS 57 Cb 0.32 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2wdk h LYS 57 CO -0.21 0.59 0.42 0.00 -2.27 0.00 0.00 179.45 177.98 2wdk h ALA 58 N 1.41 1.50 -0.77 5.00 0.00 0.89 -1.60 119.26 125.69 2wdk h ALA 58 Ca 0.38 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2wdk h ALA 58 Cb 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2wdk h ALA 58 CO -0.19 0.45 0.28 0.78 0.00 0.00 0.00 179.25 180.58 2wdk h GLY 59 N 0.91 1.26 0.50 0.00 0.00 0.13 0.23 103.07 106.10 2wdk h GLY 59 Ca 0.24 -0.71 0.03 0.00 0.00 0.00 0.00 47.33 46.89 2wdk h GLY 59 CO -0.05 0.67 -0.21 -1.82 0.00 0.00 0.00 176.54 175.12 2wdk h TYR 60 N 1.13 -0.57 -0.31 5.60 3.20 -0.48 -2.46 116.97 123.09 2wdk h TYR 60 Ca 0.25 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.99 2wdk h TYR 60 Cb 0.25 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2wdk h TYR 60 CO 0.02 -0.30 -0.41 1.88 -1.64 0.00 0.00 178.16 177.71 2wdk h TYR 61 N -0.34 0.91 -1.17 -3.82 0.05 -1.38 -2.38 116.97 108.84 2wdk h TYR 61 Ca 0.06 -0.27 0.33 0.00 0.05 0.00 0.00 58.73 58.90 2wdk h TYR 61 Cb 0.42 -0.19 -0.09 0.00 1.01 0.00 0.00 36.73 37.88 2wdk h TYR 61 CO -0.26 1.04 0.78 0.00 -1.05 0.00 0.00 178.16 178.67 2wdk h ALA 62 N 0.92 2.59 0.01 3.88 0.00 -0.09 0.84 119.26 127.42 2wdk h ALA 62 Ca 0.05 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 2wdk h ALA 62 Cb 0.96 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2wdk h ALA 62 CO 0.09 -1.05 -1.57 0.00 0.00 0.00 0.00 179.25 176.72 2wdk h ARG 63 N 0.22 0.03 -0.05 0.00 3.08 -1.30 -3.30 114.38 113.06 2wdk h ARG 63 Ca 0.66 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.68 2wdk h ARG 63 Cb 2.00 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.07 2wdk h ARG 63 CO -0.26 0.66 0.16 -0.09 -1.07 0.00 0.00 179.97 179.36 2wdk h ARG 64 N 0.01 0.00 -4.98 0.04 9.65 0.12 -3.41 114.38 115.81 2wdk h ARG 64 Ca -0.24 0.00 -0.43 0.00 -1.10 0.00 0.00 59.98 58.22 2wdk h ARG 64 Cb 1.97 0.00 -0.28 0.00 -1.39 0.00 0.00 29.97 30.27 2wdk h ARG 64 CO 0.09 0.00 -0.79 1.21 2.80 0.00 0.00 179.97 183.28 2wdk s ASN 65 N -5.11 1.32 0.00 -3.80 2.47 -0.54 -5.06 114.94 104.21 2wdk s ASN 65 Ca -0.04 -0.25 0.00 0.00 0.42 0.00 0.00 52.86 52.99 2wdk s ASN 65 Cb 0.12 -0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.79 2wdk s ASN 65 CO 0.41 0.11 0.00 0.23 -3.72 0.00 0.00 177.10 174.13 2wdk n MET 66 N 2.64 0.00 -3.55 0.43 2.81 -1.26 -3.57 117.12 114.62 2wdk n MET 66 Ca -0.15 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.64 2wdk n MET 66 Cb 0.56 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.05 2wdk n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2wdk s VAL 67 N -2.77 0.00 -0.89 2.03 0.11 -0.72 -4.87 120.40 113.29 2wdk s VAL 67 Ca 0.00 -0.28 0.18 0.00 -2.93 0.00 0.00 61.98 58.94 2wdk s VAL 67 Cb 0.00 -1.30 0.16 0.00 -1.53 0.00 0.00 36.38 33.71 2wdk s VAL 67 CO 0.00 0.00 1.55 -1.84 -3.33 0.00 0.00 175.10 171.48 2wdk n GLU 68 N -0.39 0.04 -2.68 1.54 0.28 -1.26 -3.90 120.64 114.27 2wdk n GLU 68 Ca -0.13 0.27 -0.06 0.00 -0.16 0.00 0.00 57.16 57.08 2wdk n GLU 68 Cb 0.63 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.92 2wdk n GLU 68 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2wdk n VAL 69 N -1.66 -0.70 -1.56 3.84 0.31 -1.22 -4.63 118.33 112.70 2wdk n VAL 69 Ca 0.04 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 2wdk n VAL 69 Cb 0.20 -0.63 -0.08 0.00 -0.91 0.00 0.00 33.84 32.42 2wdk n VAL 69 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wdk n PRO 70 N -0.89 0.45 -2.09 5.55 -0.02 -1.26 -4.54 135.00 132.19 2wdk n PRO 70 Ca -0.07 -1.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.12 2wdk n PRO 70 Cb 0.15 -3.67 0.03 0.00 -0.02 0.00 0.00 33.50 29.99 2wdk n PRO 70 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wdk s LEU 71 N 14.98 3.14 -0.30 2.45 1.43 -1.26 -4.13 118.68 134.99 2wdk s LEU 71 Ca 0.91 1.07 -0.05 0.00 -1.03 0.00 0.00 54.13 55.03 2wdk s LEU 71 Cb -0.13 -3.95 0.18 0.00 0.03 0.00 0.00 46.19 42.32 2wdk s LEU 71 CO 0.11 -1.08 0.74 -1.10 0.23 0.00 0.00 176.35 175.25 2wdk s GLN 72 N -5.16 0.46 -1.82 1.70 -0.21 0.46 -4.91 119.66 110.19 2wdk s GLN 72 Ca 0.55 0.83 0.00 0.00 0.02 0.00 0.00 55.36 56.76 2wdk s GLN 72 Cb -0.11 0.46 0.00 0.00 1.00 0.00 0.00 33.01 34.37 2wdk s GLN 72 CO 0.50 -0.48 0.00 -1.71 -2.12 0.00 0.00 175.29 171.48 2wdk n ASN 73 N 5.43 -5.33 0.00 5.90 4.05 -1.26 -1.42 115.26 122.64 2wdk n ASN 73 Ca -0.03 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.25 2wdk n ASN 73 Cb 0.52 -4.44 0.00 0.00 1.23 0.00 0.00 39.78 37.09 2wdk n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wdk n GLY 74 N -0.83 0.71 3.31 8.20 0.00 -1.26 -4.87 105.19 110.45 2wdk n GLY 74 Ca -0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2wdk n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wdk s THR 75 N -2.21 0.20 0.41 2.61 -1.32 -0.51 0.72 115.64 115.53 2wdk s THR 75 Ca 0.00 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.29 2wdk s THR 75 Cb 0.00 -2.49 -0.10 0.00 -1.51 0.00 0.00 72.50 68.39 2wdk s THR 75 CO 0.00 0.00 0.90 -0.63 -2.21 0.00 0.00 174.62 172.68 2wdk s ILE 76 N -3.62 4.48 0.07 5.08 1.01 -1.26 -0.40 121.20 126.56 2wdk s ILE 76 Ca 0.37 1.31 -0.26 0.00 0.00 0.00 0.00 60.65 62.07 2wdk s ILE 76 Cb 0.04 -3.62 -0.16 0.00 0.01 0.00 0.00 42.46 38.73 2wdk s ILE 76 CO 0.19 -0.32 1.63 1.55 0.00 0.00 0.00 174.94 178.00 2wdk h PRO 77 N 1.89 -0.22 0.00 2.79 0.13 -1.84 -3.43 132.00 131.33 2wdk h PRO 77 Ca -0.48 0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2wdk h PRO 77 Cb 1.18 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2wdk h PRO 77 CO 0.62 -0.09 -0.12 -2.39 -0.23 0.00 0.00 178.00 175.80 2wdk n HIS 78 N -5.15 -0.13 -3.94 1.56 1.44 -1.26 -4.94 115.22 102.79 2wdk n HIS 78 Ca -0.09 -0.70 -0.34 0.00 -2.01 0.00 0.00 57.72 54.58 2wdk n HIS 78 Cb 0.14 0.05 -0.06 0.00 0.12 0.00 0.00 29.99 30.24 2wdk n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2wdk s GLU 79 N -2.36 3.37 0.05 -1.40 8.01 -1.25 -4.23 118.70 120.89 2wdk s GLU 79 Ca 0.09 -0.30 -0.18 0.00 0.01 0.00 0.00 54.97 54.59 2wdk s GLU 79 Cb 0.00 -3.07 0.04 0.00 -4.31 0.00 0.00 34.13 26.78 2wdk s GLU 79 CO 0.06 0.70 0.41 0.96 0.01 0.00 0.00 175.26 177.39 2wdk s ILE 80 N -1.22 0.06 -0.06 -1.63 -4.36 0.15 -4.96 121.20 109.17 2wdk s ILE 80 Ca 0.23 -0.47 0.05 0.00 -0.26 0.00 0.00 60.65 60.20 2wdk s ILE 80 Cb -0.12 -0.96 -0.01 0.00 1.25 0.00 0.00 42.46 42.62 2wdk s ILE 80 CO 0.14 -0.26 -0.23 -1.61 0.24 0.00 0.00 174.94 173.22 2wdk s GLU 81 N -2.53 2.41 -0.02 0.37 2.02 -1.26 0.47 118.70 120.15 2wdk s GLU 81 Ca -0.05 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.13 2wdk s GLU 81 Cb -0.01 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.23 2wdk s GLU 81 CO -0.03 0.32 -0.02 0.08 0.02 0.00 0.00 175.26 175.63 2wdk s VAL 82 N -0.03 0.29 -0.46 2.63 1.01 -0.36 -4.99 120.40 118.49 2wdk s VAL 82 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2wdk s VAL 82 Cb -0.14 -0.32 0.12 0.00 0.00 0.00 0.00 36.38 36.04 2wdk s VAL 82 CO 0.04 0.14 0.22 -1.61 0.00 0.00 0.00 175.10 173.89 2wdk s GLU 83 N 0.63 1.96 -0.61 2.72 2.02 -1.26 -1.37 118.70 122.79 2wdk s GLU 83 Ca -0.07 -2.16 -0.19 0.00 0.02 0.00 0.00 54.97 52.57 2wdk s GLU 83 Cb -0.10 -3.45 0.10 0.00 0.10 0.00 0.00 34.13 30.79 2wdk s GLU 83 CO -0.01 -1.06 0.75 0.12 0.02 0.00 0.00 175.26 175.08 2wdk s PHE 84 N 0.51 2.97 0.00 1.61 5.36 0.04 -4.89 117.98 123.58 2wdk s PHE 84 Ca 0.13 -0.95 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 2wdk s PHE 84 Cb -0.22 -4.05 0.00 0.00 -0.34 0.00 0.00 43.02 38.41 2wdk s PHE 84 CO -0.04 -1.34 0.00 0.41 -1.46 0.00 0.00 175.22 172.79 2wdk n GLY 85 N 5.27 0.01 0.29 13.12 0.00 -1.26 -2.67 105.19 119.95 2wdk n GLY 85 Ca -0.08 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 44.99 2wdk n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdk n ALA 86 N 5.57 2.49 -2.76 4.61 0.00 -1.26 -4.77 120.51 124.39 2wdk n ALA 86 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 53.44 52.80 2wdk n ALA 86 Cb 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 2wdk n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wdk s SER 87 N -1.09 5.86 0.27 0.00 0.01 -1.09 -1.70 113.70 115.95 2wdk s SER 87 Ca 0.14 0.07 0.11 0.00 1.31 0.00 0.00 55.95 57.57 2wdk s SER 87 Cb 0.07 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 2wdk s SER 87 CO 0.10 0.09 -0.09 -0.75 0.41 0.00 0.00 173.24 173.00 2wdk s LYS 88 N 0.89 2.02 -0.00 12.44 2.20 -0.83 -0.78 119.74 135.67 2wdk s LYS 88 Ca 0.06 -1.57 -0.25 0.00 -0.36 0.00 0.00 55.97 53.85 2wdk s LYS 88 Cb -0.13 -1.99 0.06 0.00 -1.51 0.00 0.00 37.83 34.25 2wdk s LYS 88 CO 0.03 0.35 0.57 -1.50 -0.36 0.00 0.00 175.35 174.44 2wdk s ILE 89 N -2.39 0.02 0.10 5.43 2.07 -0.47 -2.54 121.20 123.41 2wdk s ILE 89 Ca 0.31 -0.15 0.07 0.00 -1.41 0.00 0.00 60.65 59.46 2wdk s ILE 89 Cb -0.06 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2wdk s ILE 89 CO 0.18 -0.08 -0.16 0.68 -1.91 0.00 0.00 174.94 173.64 2wdk s VAL 90 N -1.76 1.41 -0.19 4.00 -7.23 -0.81 -1.22 120.40 114.60 2wdk s VAL 90 Ca -0.09 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2wdk s VAL 90 Cb -0.01 -1.40 0.06 0.00 0.56 0.00 0.00 36.38 35.59 2wdk s VAL 90 CO 0.04 -0.23 0.01 -0.76 -0.31 0.00 0.00 175.10 173.84 2wdk s LEU 91 N -2.05 1.51 -0.21 1.32 2.01 0.18 -3.51 118.68 117.93 2wdk s LEU 91 Ca 0.05 -0.85 0.01 0.00 0.01 0.00 0.00 54.13 53.35 2wdk s LEU 91 Cb -0.08 -0.75 0.05 0.00 0.01 0.00 0.00 46.19 45.42 2wdk s LEU 91 CO 0.03 -0.27 -0.08 -0.54 1.01 0.00 0.00 176.35 176.51 2wdk s LYS 92 N 1.74 1.79 0.18 1.70 1.02 0.84 0.30 119.74 127.30 2wdk s LYS 92 Ca -0.02 -0.88 -0.32 0.00 0.02 0.00 0.00 55.97 54.78 2wdk s LYS 92 Cb -0.17 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 2wdk s LYS 92 CO -0.07 -0.50 1.71 -1.25 -0.92 0.00 0.00 175.35 174.31 2wdk s PRO 93 N 1.42 4.15 0.28 -1.68 0.04 -1.26 0.82 135.00 138.76 2wdk s PRO 93 Ca -0.03 2.55 0.09 0.00 0.04 0.00 0.00 61.00 63.64 2wdk s PRO 93 Cb -0.17 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2wdk s PRO 93 CO -0.07 -0.74 0.07 0.00 0.04 0.00 0.00 177.00 176.30 2wdk s ALA 94 N 1.55 3.33 1.06 8.56 0.00 -1.14 -4.82 121.76 130.31 2wdk s ALA 94 Ca 0.75 -1.62 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 2wdk s ALA 94 Cb -0.47 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 21.75 2wdk s ALA 94 CO 0.33 0.22 -0.36 0.00 0.00 0.00 0.00 175.76 175.94 2wdk n ALA 95 N -1.02 -4.45 -0.89 0.00 0.00 -1.26 -4.62 120.51 108.28 2wdk n ALA 95 Ca -0.06 -1.20 -0.32 0.00 0.00 0.00 0.00 53.44 51.87 2wdk n ALA 95 Cb 0.59 -1.36 0.15 0.00 0.00 0.00 0.00 19.45 18.83 2wdk n ALA 95 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wdk s PRO 96 N -3.04 1.35 -0.89 0.00 0.02 -1.26 -2.98 135.00 128.19 2wdk s PRO 96 Ca 0.50 1.59 -0.05 0.00 0.02 0.00 0.00 61.00 63.06 2wdk s PRO 96 Cb -0.08 -1.76 0.05 0.00 0.02 0.00 0.00 34.50 32.73 2wdk s PRO 96 CO 0.67 -2.40 0.22 0.41 -0.33 0.00 0.00 177.00 175.58 2wdk n GLY 97 N 0.18 -0.49 0.13 0.52 0.00 -1.26 -4.80 105.19 99.47 2wdk n GLY 97 Ca 0.12 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2wdk n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wdk h THR 98 N -0.41 1.02 0.00 2.61 2.02 -1.78 -3.51 112.91 112.87 2wdk h THR 98 Ca -0.28 -2.42 0.00 0.00 0.77 0.00 0.00 66.41 64.49 2wdk h THR 98 Cb 1.19 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 2wdk h THR 98 CO 0.36 0.73 0.00 0.61 0.37 0.00 0.00 175.52 177.58 2wdk n GLY 99 N 1.76 1.98 3.61 2.16 0.00 -0.90 -4.95 105.19 108.85 2wdk n GLY 99 Ca -0.25 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 2wdk n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdk s VAL 100 N -2.54 5.14 -0.41 1.61 1.01 -1.01 -2.73 120.40 121.47 2wdk s VAL 100 Ca 0.00 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 2wdk s VAL 100 Cb 0.00 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.73 2wdk s VAL 100 CO 0.00 0.14 0.22 0.27 0.00 0.00 0.00 175.10 175.73 2wdk s ILE 101 N 2.14 3.75 0.21 2.22 -0.00 -0.89 -4.99 121.20 123.65 2wdk s ILE 101 Ca 0.17 -1.69 -0.10 0.00 -0.00 0.00 0.00 60.65 59.04 2wdk s ILE 101 Cb -0.16 -3.40 0.04 0.00 -0.00 0.00 0.00 42.46 38.94 2wdk s ILE 101 CO 0.10 -0.57 0.50 0.00 -0.00 0.00 0.00 174.94 174.96 2wdk n ALA 102 N 4.77 -1.16 -2.88 2.27 0.00 -1.26 -2.13 120.51 120.12 2wdk n ALA 102 Ca -0.07 -0.73 -0.25 0.00 0.00 0.00 0.00 53.44 52.39 2wdk n ALA 102 Cb 0.42 0.55 -0.04 0.00 0.00 0.00 0.00 19.45 20.38 2wdk n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wdk s GLY 103 N -2.34 1.64 0.00 0.00 0.00 -1.26 -4.81 107.32 100.55 2wdk s GLY 103 Ca 0.10 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.66 2wdk s GLY 103 CO 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 173.10 172.00 2wdk n ALA 104 N -0.59 0.00 -0.00 3.20 0.00 -1.26 -1.69 120.51 120.17 2wdk n ALA 104 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.36 2wdk n ALA 104 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 2wdk n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdk h VAL 105 N 0.00 0.00 0.00 0.00 2.07 -1.95 -3.08 116.25 113.29 2wdk h VAL 105 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2wdk h VAL 105 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2wdk h VAL 105 CO 0.00 0.00 0.32 1.55 0.02 0.00 0.00 177.57 179.46 2wdk h PRO 106 N -0.01 0.00 0.12 1.57 0.13 -1.70 -1.25 132.00 130.86 2wdk h PRO 106 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2wdk h PRO 106 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2wdk h PRO 106 CO 0.00 0.00 -0.06 -0.09 -0.23 0.00 0.00 178.00 177.62 2wdk h ARG 107 N 0.00 -0.16 -0.70 0.86 2.43 -1.46 -2.65 114.38 112.71 2wdk h ARG 107 Ca 0.00 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 2wdk h ARG 107 Cb 0.65 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 2wdk h ARG 107 CO 0.00 0.32 0.47 0.00 -1.51 0.00 0.00 179.97 179.25 2wdk h ALA 108 N -0.22 2.17 0.07 2.80 0.00 -1.14 0.42 119.26 123.36 2wdk h ALA 108 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wdk h ALA 108 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wdk h ALA 108 CO 0.03 -0.35 -0.04 0.82 0.00 0.00 0.00 179.25 179.71 2wdk h ILE 109 N 0.35 1.21 0.00 0.00 2.04 -1.53 -3.15 117.51 116.42 2wdk h ILE 109 Ca 0.34 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 2wdk h ILE 109 Cb 0.83 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 2wdk h ILE 109 CO -0.09 0.28 -0.31 -0.07 0.00 0.00 0.00 178.15 177.96 2wdk h LEU 110 N -0.64 0.00 0.37 1.44 3.38 -1.05 -0.84 115.31 117.98 2wdk h LEU 110 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2wdk h LEU 110 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2wdk h LEU 110 CO 0.02 0.31 -0.18 -0.33 0.09 0.00 0.00 178.44 178.35 2wdk h GLU 111 N 0.00 -0.48 0.00 1.13 5.08 -1.04 -1.67 114.58 117.59 2wdk h GLU 111 Ca -0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wdk h GLU 111 Cb 0.92 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2wdk h GLU 111 CO 0.04 -0.32 0.00 1.28 -1.00 0.00 0.00 179.01 179.01 2wdk n LEU 112 N -4.27 0.00 -0.01 1.33 4.77 -1.19 -2.24 117.00 115.39 2wdk n LEU 112 Ca -0.06 0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.80 2wdk n LEU 112 Cb 0.20 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.08 2wdk n LEU 112 CO 0.15 -0.04 -0.04 0.00 -1.33 0.00 0.00 177.39 176.12 2wdk h ALA 113 N 2.72 0.04 0.00 -1.18 0.00 -1.01 -3.03 119.26 116.81 2wdk h ALA 113 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2wdk h ALA 113 Cb 0.03 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wdk h ALA 113 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2wdk n GLY 114 N 1.65 1.08 3.51 0.00 0.00 -0.95 -1.92 105.19 108.56 2wdk n GLY 114 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 2wdk n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdk s VAL 115 N -1.44 2.29 0.00 1.61 1.01 -0.65 -4.66 120.40 118.56 2wdk s VAL 115 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 59.71 2wdk s VAL 115 Cb 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2wdk s VAL 115 CO 0.00 -0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.17 2wdk n THR 116 N -0.72 0.00 -3.76 3.92 -2.24 0.22 -4.57 114.28 107.13 2wdk n THR 116 Ca -0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 2wdk n THR 116 Cb 0.62 0.04 -0.13 0.00 -2.10 0.00 0.00 70.33 68.76 2wdk n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wdk s ASP 117 N 0.00 3.77 -0.08 3.42 1.01 -0.85 -2.12 116.67 121.82 2wdk s ASP 117 Ca 0.00 -2.88 -0.18 0.00 0.71 0.00 0.00 52.55 50.20 2wdk s ASP 117 Cb 0.00 -1.18 0.04 0.00 1.01 0.00 0.00 42.92 42.79 2wdk s ASP 117 CO 0.00 -0.23 0.43 -0.51 0.21 0.00 0.00 175.17 175.07 2wdk s ILE 118 N -0.00 0.03 -0.12 0.77 1.10 -1.10 -2.87 121.20 119.00 2wdk s ILE 118 Ca 0.19 -0.22 -0.02 0.00 -0.51 0.00 0.00 60.65 60.10 2wdk s ILE 118 Cb -0.20 -0.70 -0.03 0.00 0.15 0.00 0.00 42.46 41.68 2wdk s ILE 118 CO -0.03 -0.12 -0.06 -0.76 -2.11 0.00 0.00 174.94 171.86 2wdk s LEU 119 N -0.76 3.15 -0.01 8.50 1.43 0.24 -2.09 118.68 129.14 2wdk s LEU 119 Ca -0.08 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 2wdk s LEU 119 Cb -0.03 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2wdk s LEU 119 CO 0.04 0.24 0.21 0.42 0.23 0.00 0.00 176.35 177.49 2wdk s THR 120 N -0.07 0.07 0.01 5.49 -4.23 -0.91 -0.11 115.64 115.88 2wdk s THR 120 Ca 0.01 -0.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 2wdk s THR 120 Cb -0.13 -0.50 -0.01 0.00 1.34 0.00 0.00 72.50 73.20 2wdk s THR 120 CO 0.03 -0.31 -0.04 -0.75 -0.54 0.00 0.00 174.62 173.01 2wdk s LYS 121 N -1.25 0.31 -0.46 3.99 2.47 -1.23 -4.58 119.74 118.98 2wdk s LYS 121 Ca -0.13 -0.24 -0.14 0.00 -1.56 0.00 0.00 55.97 53.90 2wdk s LYS 121 Cb -0.06 -0.23 0.08 0.00 -1.46 0.00 0.00 37.83 36.15 2wdk s LYS 121 CO 0.03 0.06 0.36 -1.21 0.16 0.00 0.00 175.35 174.75 2wdk s GLU 122 N -0.38 2.88 0.39 4.03 2.02 -1.26 -1.92 118.70 124.45 2wdk s GLU 122 Ca -0.02 -1.40 0.07 0.00 0.02 0.00 0.00 54.97 53.65 2wdk s GLU 122 Cb -0.03 -4.05 -0.00 0.00 0.10 0.00 0.00 34.13 30.15 2wdk s GLU 122 CO -0.00 -1.03 0.50 -0.51 0.02 0.00 0.00 175.26 174.25 2wdk s LEU 123 N 1.58 3.73 0.00 1.80 1.43 -1.05 -4.90 118.68 121.26 2wdk s LEU 123 Ca 0.04 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2wdk s LEU 123 Cb -0.24 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.38 2wdk s LEU 123 CO 0.05 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.62 2wdk n GLY 124 N -1.72 2.13 3.68 -3.19 0.00 -1.26 -1.96 105.19 102.86 2wdk n GLY 124 Ca 0.04 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2wdk n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdk s SER 125 N -4.00 6.95 0.00 1.61 0.15 -0.69 -4.90 113.70 112.83 2wdk s SER 125 Ca 0.00 1.17 0.07 0.00 0.70 0.00 0.00 55.95 57.88 2wdk s SER 125 Cb 0.00 -2.44 0.29 0.00 -1.71 0.00 0.00 66.02 62.16 2wdk s SER 125 CO 0.00 -0.33 1.21 0.54 1.20 0.00 0.00 173.24 175.86 2wdk n ARG 126 N 4.89 1.24 -1.68 5.44 1.74 -1.26 -4.32 116.66 122.71 2wdk n ARG 126 Ca 0.03 -0.37 -0.58 0.00 -0.77 0.00 0.00 57.85 56.16 2wdk n ARG 126 Cb 0.49 -1.13 -0.07 0.00 -1.02 0.00 0.00 32.46 30.73 2wdk n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wdk n ASN 127 N -0.25 1.90 0.00 0.55 2.85 -1.26 -4.80 115.26 114.25 2wdk n ASN 127 Ca 0.06 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.64 2wdk n ASN 127 Cb 0.10 -1.10 0.00 0.00 1.24 0.00 0.00 39.78 40.02 2wdk n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2wdk n PRO 128 N 4.31 0.00 -0.33 1.20 -0.02 -1.26 -1.14 135.00 137.76 2wdk n PRO 128 Ca 0.25 0.76 0.01 0.00 -2.02 0.00 0.00 63.50 62.50 2wdk n PRO 128 Cb 0.11 -1.36 0.07 0.00 -0.02 0.00 0.00 33.50 32.30 2wdk n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wdk n ILE 129 N -2.26 -0.43 0.02 4.25 5.41 -1.26 -1.07 119.36 124.02 2wdk n ILE 129 Ca 0.00 2.04 -0.19 0.00 1.00 0.00 0.00 62.75 65.60 2wdk n ILE 129 Cb 0.00 -2.73 -0.14 0.00 -0.71 0.00 0.00 39.64 36.05 2wdk n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2wdk h ASN 130 N 0.00 0.37 -0.75 4.38 2.35 -1.90 -2.63 115.58 117.39 2wdk h ASN 130 Ca 0.35 -0.96 0.22 0.00 -0.55 0.00 0.00 56.30 55.36 2wdk h ASN 130 Cb 0.57 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 2wdk h ASN 130 CO -0.88 1.30 0.54 -0.29 -1.65 0.00 0.00 177.43 176.45 2wdk h ILE 131 N -0.50 0.62 0.27 2.81 -0.00 -0.71 -0.46 117.51 119.54 2wdk h ILE 131 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.74 2wdk h ILE 131 Cb 1.49 0.62 0.00 0.00 -0.00 0.00 0.00 36.82 38.94 2wdk h ILE 131 CO 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 178.15 178.14 2wdk h ALA 132 N 1.62 -0.49 -0.78 0.18 0.00 -1.12 -2.75 119.26 115.93 2wdk h ALA 132 Ca 0.36 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.41 2wdk h ALA 132 Cb 1.44 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2wdk h ALA 132 CO -0.00 -0.46 0.83 1.88 0.00 0.00 0.00 179.25 181.50 2wdk h TYR 133 N -0.78 0.00 0.08 0.00 0.99 -0.94 0.63 116.97 116.95 2wdk h TYR 133 Ca -0.04 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.41 2wdk h TYR 133 Cb 0.28 0.00 0.03 0.00 1.00 0.00 0.00 36.73 38.04 2wdk h TYR 133 CO 0.03 0.00 -1.16 0.00 -0.00 0.00 0.00 178.16 177.03 2wdk h ALA 134 N 1.07 0.03 -0.61 3.88 0.00 -1.12 -2.62 119.26 119.89 2wdk h ALA 134 Ca 0.37 -0.74 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2wdk h ALA 134 Cb 2.03 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.88 2wdk h ALA 134 CO -0.00 0.67 0.41 1.15 0.00 0.00 0.00 179.25 181.47 2wdk h THR 135 N 0.28 0.93 0.28 0.00 2.02 0.58 0.37 112.91 117.37 2wdk h THR 135 Ca -0.17 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2wdk h THR 135 Cb 1.83 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2wdk h THR 135 CO 0.22 0.09 -0.13 0.24 0.37 0.00 0.00 175.52 176.31 2wdk h MET 136 N 0.47 -0.36 0.00 6.66 2.07 -1.39 -2.60 114.93 119.79 2wdk h MET 136 Ca 0.28 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.93 2wdk h MET 136 Cb 0.46 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.28 2wdk h MET 136 CO -0.08 -0.24 0.08 0.39 1.07 0.00 0.00 176.91 178.14 2wdk n GLU 137 N -3.40 0.00 -0.03 1.72 -0.58 -0.85 -0.81 120.64 116.68 2wdk n GLU 137 Ca -0.05 0.12 -0.01 0.00 -0.42 0.00 0.00 57.16 56.81 2wdk n GLU 137 Cb 0.15 -1.58 -0.00 0.00 -0.57 0.00 0.00 31.44 29.43 2wdk n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdk h ALA 138 N 1.19 0.00 -0.22 0.62 0.00 -0.57 -3.33 119.26 116.94 2wdk h ALA 138 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2wdk h ALA 138 Cb 0.17 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2wdk h ALA 138 CO 0.00 0.12 0.04 -0.07 0.00 0.00 0.00 179.25 179.33 2wdk h LEU 139 N -0.56 -0.00 0.00 0.00 3.38 -0.66 -0.75 115.31 116.72 2wdk h LEU 139 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wdk h LEU 139 Cb 0.12 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2wdk h LEU 139 CO 0.00 0.03 0.08 -1.14 0.09 0.00 0.00 178.44 177.50 2wdk n ARG 140 N -5.09 0.00 0.00 1.13 0.63 -0.12 1.00 116.66 114.20 2wdk n ARG 140 Ca -0.02 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 2wdk n ARG 140 Cb 0.10 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.43 2wdk n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wdk n GLN 141 N -1.02 1.25 -1.39 -0.14 6.02 -0.29 -5.02 117.38 116.78 2wdk n GLN 141 Ca 0.00 -1.02 -0.31 0.00 -0.01 0.00 0.00 57.00 55.66 2wdk n GLN 141 Cb 0.08 -0.95 0.08 0.00 1.02 0.00 0.00 30.24 30.46 2wdk n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wdk s LEU 142 N -0.54 3.02 0.08 1.08 1.43 0.28 -5.07 118.68 118.95 2wdk s LEU 142 Ca 0.00 1.70 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 2wdk s LEU 142 Cb 0.00 -4.46 -0.01 0.00 0.03 0.00 0.00 46.19 41.76 2wdk s LEU 142 CO 0.00 -1.83 0.15 -0.13 0.23 0.00 0.00 176.35 174.78 2wdk s ARG 143 N -4.97 0.78 0.12 1.70 1.81 -1.26 -4.96 118.95 112.18 2wdk s ARG 143 Ca 0.60 -0.96 0.10 0.00 -1.72 0.00 0.00 55.73 53.76 2wdk s ARG 143 Cb -0.16 0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.62 2wdk s ARG 143 CO 0.56 -0.23 -0.25 0.95 -0.68 0.00 0.00 175.30 175.64 2wdk s THR 144 N -3.70 2.39 0.59 0.02 -4.23 -1.26 -4.64 115.64 104.81 2wdk s THR 144 Ca 0.04 -1.69 0.31 0.00 -1.18 0.00 0.00 61.69 59.18 2wdk s THR 144 Cb 0.05 -2.06 0.45 0.00 1.34 0.00 0.00 72.50 72.27 2wdk s THR 144 CO -0.10 0.10 1.62 0.50 -0.54 0.00 0.00 174.62 176.20 2wdk h LYS 145 N 3.88 0.00 0.00 3.99 3.64 -2.00 -1.21 116.57 124.88 2wdk h LYS 145 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2wdk h LYS 145 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wdk h LYS 145 CO 0.41 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.59 2wdk n ALA 146 N -2.43 0.00 0.14 5.00 0.00 -1.26 -1.72 120.51 120.25 2wdk n ALA 146 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.70 2wdk n ALA 146 Cb 1.23 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.99 2wdk n ALA 146 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdk n ASP 147 N -0.16 0.29 0.04 0.00 3.85 -1.08 -0.53 116.55 118.95 2wdk n ASP 147 Ca 0.00 0.52 -0.11 0.00 -0.71 0.00 0.00 54.79 54.49 2wdk n ASP 147 Cb 0.00 -0.47 -0.08 0.00 -1.35 0.00 0.00 41.12 39.22 2wdk n ASP 147 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 2wdk h VAL 148 N 0.00 0.96 0.00 2.12 2.07 -1.24 -2.78 116.25 117.38 2wdk h VAL 148 Ca 0.00 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2wdk h VAL 148 Cb 0.58 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2wdk h VAL 148 CO 0.00 0.25 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 2wdk n GLU 149 N -4.89 0.22 0.02 1.57 1.02 0.30 -2.12 120.64 116.76 2wdk n GLU 149 Ca -0.08 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.22 2wdk n GLU 149 Cb 0.27 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.54 2wdk n GLU 149 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2wdk n ARG 150 N -1.38 0.09 -0.00 3.49 0.63 -0.01 -3.02 116.66 116.45 2wdk n ARG 150 Ca 0.10 0.04 0.09 0.00 -0.92 0.00 0.00 57.85 57.16 2wdk n ARG 150 Cb 0.26 -1.57 -0.11 0.00 0.45 0.00 0.00 32.46 31.49 2wdk n ARG 150 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wdk n LEU 151 N -1.70 0.69 -2.26 6.15 4.77 -0.90 -4.17 117.00 119.57 2wdk n LEU 151 Ca 0.05 -0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 55.34 2wdk n LEU 151 Cb 0.37 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 2wdk n LEU 151 CO 0.33 0.17 0.82 0.54 -1.33 0.00 0.00 177.39 177.91 2wdk n ARG 152 N -1.58 3.15 0.00 3.23 1.74 -1.14 -4.92 116.66 117.15 2wdk n ARG 152 Ca 0.02 -3.79 0.00 0.00 -0.77 0.00 0.00 57.85 53.32 2wdk n ARG 152 Cb 0.33 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 2wdk n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdk n LYS 153 N -0.76 0.00 0.00 5.56 4.76 -1.23 -4.96 118.16 121.53 2wdk n LYS 153 Ca 0.52 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2wdk n LYS 153 Cb 0.76 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.95 2wdk n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdk n GLY 154 N 3.84 0.08 0.00 0.72 0.00 -1.26 -5.11 105.19 103.46 2wdk n GLY 154 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2wdk n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11