#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdh s LYS 3 N 0.00 3.68 0.45 0.54 1.02 -1.26 -4.98 119.74 119.19 2wdh s LYS 3 Ca 0.00 0.37 -0.20 0.00 0.02 0.00 0.00 55.97 56.16 2wdh s LYS 3 Cb 0.00 -3.87 -0.15 0.00 -0.52 0.00 0.00 37.83 33.29 2wdh s LYS 3 CO 0.00 -1.12 0.09 1.17 -0.92 0.00 0.00 175.35 174.57 2wdh n LYS 4 N 7.04 0.09 -3.80 1.68 3.00 -1.26 -4.45 118.16 120.46 2wdh n LYS 4 Ca 0.07 0.03 -0.14 0.00 -0.00 0.00 0.00 58.31 58.27 2wdh n LYS 4 Cb 0.48 -1.09 -0.15 0.00 0.00 0.00 0.00 35.03 34.27 2wdh n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wdh s VAL 5 N -1.77 -0.04 0.26 3.15 1.01 -1.26 -0.75 120.40 121.01 2wdh s VAL 5 Ca 0.59 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2wdh s VAL 5 Cb -0.57 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2wdh s VAL 5 CO 0.63 0.05 0.16 -0.76 0.00 0.00 0.00 175.10 175.18 2wdh s LEU 6 N 0.70 1.49 -0.02 3.92 1.02 -0.34 -4.95 118.68 120.50 2wdh s LEU 6 Ca -0.06 -1.50 -0.01 0.00 0.02 0.00 0.00 54.13 52.58 2wdh s LEU 6 Cb -0.08 0.28 0.02 0.00 0.02 0.00 0.00 46.19 46.43 2wdh s LEU 6 CO -0.02 -0.87 0.05 0.42 0.02 0.00 0.00 176.35 175.95 2wdh s THR 7 N -3.80 -0.03 0.30 5.49 -4.23 -1.26 -0.44 115.64 111.67 2wdh s THR 7 Ca 0.38 0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.92 2wdh s THR 7 Cb 0.06 -0.10 0.03 0.00 1.34 0.00 0.00 72.50 73.83 2wdh s THR 7 CO 0.16 0.04 0.53 0.61 -0.54 0.00 0.00 174.62 175.43 2wdh n GLY 8 N 3.65 1.64 3.88 3.99 0.00 -1.15 -4.33 105.19 112.87 2wdh n GLY 8 Ca -0.20 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 2wdh n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdh s VAL 9 N -2.47 5.28 0.35 1.61 1.01 -0.90 -2.39 120.40 122.89 2wdh s VAL 9 Ca 0.17 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 2wdh s VAL 9 Cb -0.03 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 2wdh s VAL 9 CO 0.12 0.33 1.07 -0.69 0.00 0.00 0.00 175.10 175.93 2wdh s VAL 10 N -1.29 3.63 0.00 2.92 1.01 0.13 -1.41 120.40 125.39 2wdh s VAL 10 Ca 0.26 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2wdh s VAL 10 Cb -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2wdh s VAL 10 CO 0.18 0.14 0.58 1.33 0.00 0.00 0.00 175.10 177.33 2wdh n VAL 11 N 0.40 0.33 -3.65 2.92 0.24 -0.42 -3.10 118.33 115.06 2wdh n VAL 11 Ca 0.03 -0.41 -0.03 0.00 -2.04 0.00 0.00 64.34 61.89 2wdh n VAL 11 Cb 0.48 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 2wdh n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wdh s SER 12 N -0.33 -0.09 0.00 -1.34 0.15 -1.25 -4.92 113.70 105.93 2wdh s SER 12 Ca 0.00 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2wdh s SER 12 Cb 0.00 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2wdh s SER 12 CO 0.00 -0.03 0.35 -0.90 1.20 0.00 0.00 173.24 173.86 2wdh n ASP 13 N 1.83 0.51 -2.27 5.45 5.68 -1.26 -2.06 116.55 124.43 2wdh n ASP 13 Ca -0.11 -1.12 -0.05 0.00 -0.50 0.00 0.00 54.79 53.01 2wdh n ASP 13 Cb 0.57 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.47 2wdh n ASP 13 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2wdh n LYS 14 N -0.06 0.89 -3.63 0.11 5.02 -1.26 -4.66 118.16 114.56 2wdh n LYS 14 Ca 0.00 -0.44 -0.12 0.00 -2.02 0.00 0.00 58.31 55.73 2wdh n LYS 14 Cb 0.22 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 2wdh n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2wdh s MET 15 N 2.09 1.01 -0.51 1.97 -1.94 -1.26 -5.09 119.30 115.57 2wdh s MET 15 Ca 0.29 -0.52 -0.28 0.00 -1.71 0.00 0.00 55.69 53.48 2wdh s MET 15 Cb 0.14 0.45 0.03 0.00 2.01 0.00 0.00 34.83 37.46 2wdh s MET 15 CO 0.00 -0.38 1.10 -0.65 -0.01 0.00 0.00 175.02 175.08 2wdh s GLN 16 N -3.14 3.59 -1.52 2.03 -0.21 -1.26 -3.82 119.66 115.34 2wdh s GLN 16 Ca -0.01 0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.70 2wdh s GLN 16 Cb 0.00 -3.95 0.00 0.00 1.00 0.00 0.00 33.01 30.06 2wdh s GLN 16 CO -0.07 -1.45 0.00 1.63 -2.12 0.00 0.00 175.29 173.28 2wdh n LYS 17 N 7.86 -1.22 -4.40 2.91 5.02 -1.26 -5.00 118.16 122.08 2wdh n LYS 17 Ca 0.09 0.90 -0.19 0.00 -2.02 0.00 0.00 58.31 57.09 2wdh n LYS 17 Cb 0.49 -5.21 -0.10 0.00 -0.02 0.00 0.00 35.03 30.18 2wdh n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wdh s THR 18 N -2.72 0.99 -0.30 -0.18 2.01 -1.25 -0.93 115.64 113.26 2wdh s THR 18 Ca 0.00 -2.01 -0.03 0.00 0.31 0.00 0.00 61.69 59.97 2wdh s THR 18 Cb 0.00 -2.69 0.18 0.00 0.01 0.00 0.00 72.50 70.01 2wdh s THR 18 CO 0.00 -0.05 0.64 0.68 -0.69 0.00 0.00 174.62 175.21 2wdh s VAL 19 N -3.44 -0.94 0.08 3.82 -7.23 -0.48 -4.61 120.40 107.60 2wdh s VAL 19 Ca 0.36 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.22 2wdh s VAL 19 Cb 0.08 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.94 2wdh s VAL 19 CO 0.14 0.00 1.62 -0.89 -0.31 0.00 0.00 175.10 175.66 2wdh s THR 20 N 2.87 3.02 -0.08 5.32 2.01 -0.88 -1.59 115.64 126.30 2wdh s THR 20 Ca 0.17 0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.73 2wdh s THR 20 Cb -0.14 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 2wdh s THR 20 CO -0.20 0.01 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.88 2wdh s VAL 21 N 2.33 2.78 -0.41 3.82 1.01 0.84 -1.30 120.40 129.48 2wdh s VAL 21 Ca 0.72 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 2wdh s VAL 21 Cb -0.40 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 33.92 2wdh s VAL 21 CO 0.32 0.56 0.27 -0.22 0.00 0.00 0.00 175.10 176.03 2wdh s LEU 22 N -0.16 5.03 -0.21 3.92 2.96 -0.50 0.27 118.68 129.99 2wdh s LEU 22 Ca -0.01 -1.07 -0.09 0.00 -0.22 0.00 0.00 54.13 52.74 2wdh s LEU 22 Cb -0.14 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2wdh s LEU 22 CO 0.03 -0.46 0.11 -0.69 -1.32 0.00 0.00 176.35 174.03 2wdh s VAL 23 N 1.60 5.13 0.29 1.68 1.01 0.66 -2.11 120.40 128.65 2wdh s VAL 23 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2wdh s VAL 23 Cb -0.20 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2wdh s VAL 23 CO 0.07 0.41 0.49 -1.61 0.00 0.00 0.00 175.10 174.46 2wdh s GLU 24 N 0.67 3.50 -0.28 2.72 2.02 -1.26 -1.24 118.70 124.83 2wdh s GLU 24 Ca 0.06 -0.35 -0.16 0.00 0.02 0.00 0.00 54.97 54.54 2wdh s GLU 24 Cb -0.12 -2.73 0.08 0.00 0.10 0.00 0.00 34.13 31.46 2wdh s GLU 24 CO 0.01 0.25 0.69 0.50 0.02 0.00 0.00 175.26 176.72 2wdh s ARG 25 N -3.97 0.71 0.29 1.61 3.52 0.07 -4.96 118.95 116.21 2wdh s ARG 25 Ca 0.39 1.21 0.09 0.00 -0.13 0.00 0.00 55.73 57.29 2wdh s ARG 25 Cb -0.10 0.15 -0.06 0.00 -1.56 0.00 0.00 34.95 33.38 2wdh s ARG 25 CO 0.33 -0.15 -0.12 1.14 -0.81 0.00 0.00 175.30 175.69 2wdh s GLN 26 N 1.57 1.62 -0.07 5.12 -2.07 -1.26 -1.01 119.66 123.57 2wdh s GLN 26 Ca -0.10 -1.79 -0.32 0.00 -1.82 0.00 0.00 55.36 51.34 2wdh s GLN 26 Cb -0.05 -1.46 0.12 0.00 -1.09 0.00 0.00 33.01 30.53 2wdh s GLN 26 CO -0.19 0.17 1.19 -0.59 -1.32 0.00 0.00 175.29 174.55 2wdh s PHE 27 N -2.76 -0.11 0.04 9.60 -0.12 -0.68 -4.99 117.98 118.95 2wdh s PHE 27 Ca 0.29 0.00 -0.30 0.00 -0.05 0.00 0.00 56.93 56.87 2wdh s PHE 27 Cb 0.00 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.89 2wdh s PHE 27 CO 0.13 -0.32 1.20 -2.14 -0.05 0.00 0.00 175.22 174.04 2wdh s PRO 28 N -2.56 4.41 0.11 1.99 0.02 -1.26 -0.96 135.00 136.75 2wdh s PRO 28 Ca 0.11 1.75 -0.31 0.00 0.02 0.00 0.00 61.00 62.58 2wdh s PRO 28 Cb 0.02 -3.40 -0.10 0.00 0.02 0.00 0.00 34.50 31.04 2wdh s PRO 28 CO -0.04 -0.30 1.81 -1.58 -0.33 0.00 0.00 177.00 176.56 2wdh s HIS 29 N 1.32 2.15 0.52 6.54 2.46 -0.75 -4.86 115.29 122.67 2wdh s HIS 29 Ca 0.58 0.01 0.38 0.00 0.47 0.00 0.00 55.06 56.51 2wdh s HIS 29 Cb -0.29 -4.15 1.55 0.00 -0.13 0.00 0.00 32.58 29.57 2wdh s HIS 29 CO 0.28 -4.75 1.70 -1.00 -2.47 0.00 0.00 174.74 168.50 2wdh h PRO 30 N 8.65 0.05 0.00 2.88 0.13 -1.92 -1.20 132.00 140.59 2wdh h PRO 30 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wdh h PRO 30 Cb 1.22 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wdh h PRO 30 CO 0.95 0.03 -0.16 -0.11 -0.23 0.00 0.00 178.00 178.47 2wdh n LEU 31 N -4.23 0.00 -0.13 1.56 7.94 -1.26 -4.79 117.00 116.09 2wdh n LEU 31 Ca 0.34 -0.34 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 2wdh n LEU 31 Cb 1.49 0.00 0.09 0.00 0.53 0.00 0.00 43.42 45.53 2wdh n LEU 31 CO 0.37 0.00 0.49 -1.22 -1.11 0.00 0.00 177.39 175.93 2wdh n TYR 32 N -0.92 0.00 0.00 1.96 4.02 -1.03 -5.03 117.16 116.17 2wdh n TYR 32 Ca 0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 57.90 57.17 2wdh n TYR 32 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 2wdh n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdh n GLY 33 N -1.00 -0.17 0.22 2.72 0.00 -0.48 -4.79 105.19 101.70 2wdh n GLY 33 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 2wdh n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdh n LYS 34 N 0.00 0.00 -2.09 1.61 4.81 -1.26 -1.81 118.16 119.42 2wdh n LYS 34 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 2wdh n LYS 34 Cb 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 35.03 34.93 2wdh n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2wdh s VAL 35 N 0.05 3.62 0.11 3.15 1.01 -1.26 -2.25 120.40 124.83 2wdh s VAL 35 Ca 0.06 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2wdh s VAL 35 Cb -0.08 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2wdh s VAL 35 CO 0.04 -0.42 0.19 0.27 0.00 0.00 0.00 175.10 175.18 2wdh s ILE 36 N 6.05 5.01 0.18 2.22 -4.36 -0.14 -4.89 121.20 125.27 2wdh s ILE 36 Ca 0.74 -0.70 0.07 0.00 -0.26 0.00 0.00 60.65 60.50 2wdh s ILE 36 Cb -0.22 -3.50 -0.04 0.00 1.25 0.00 0.00 42.46 39.95 2wdh s ILE 36 CO 0.32 0.01 0.01 -0.54 0.24 0.00 0.00 174.94 174.98 2wdh s LYS 37 N -2.83 2.43 -0.15 0.37 1.02 -1.26 -1.69 119.74 117.63 2wdh s LYS 37 Ca 0.33 -1.12 -0.26 0.00 0.02 0.00 0.00 55.97 54.94 2wdh s LYS 37 Cb -0.12 -2.36 0.06 0.00 -0.52 0.00 0.00 37.83 34.90 2wdh s LYS 37 CO 0.26 0.45 0.64 0.50 -0.92 0.00 0.00 175.35 176.28 2wdh s ARG 38 N -3.02 0.89 0.29 1.68 6.06 -0.18 -5.00 118.95 119.68 2wdh s ARG 38 Ca 0.28 0.55 0.06 0.00 -2.50 0.00 0.00 55.73 54.13 2wdh s ARG 38 Cb -0.09 0.42 -0.06 0.00 0.06 0.00 0.00 34.95 35.28 2wdh s ARG 38 CO 0.19 -0.20 -0.04 -1.54 -2.50 0.00 0.00 175.30 171.21 2wdh s SER 39 N -0.44 2.82 -0.06 -2.12 1.04 -1.26 -0.75 113.70 112.92 2wdh s SER 39 Ca -0.06 -1.22 -0.18 0.00 0.48 0.00 0.00 55.95 54.97 2wdh s SER 39 Cb -0.03 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 65.95 2wdh s SER 39 CO 0.05 -0.37 0.42 -0.75 0.98 0.00 0.00 173.24 173.56 2wdh s LYS 40 N -3.74 0.70 -0.16 4.02 2.20 -0.37 -5.00 119.74 117.38 2wdh s LYS 40 Ca 0.31 0.12 -0.04 0.00 -0.36 0.00 0.00 55.97 56.00 2wdh s LYS 40 Cb 0.05 0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 2wdh s LYS 40 CO 0.13 -0.17 -0.02 0.15 -0.36 0.00 0.00 175.35 175.07 2wdh s LYS 41 N -0.85 3.71 -0.12 4.03 1.02 -1.25 -0.25 119.74 126.02 2wdh s LYS 41 Ca -0.09 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.41 2wdh s LYS 41 Cb -0.04 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2wdh s LYS 41 CO 0.04 0.23 -0.17 0.71 -0.92 0.00 0.00 175.35 175.24 2wdh s TYR 42 N 0.42 2.72 -0.38 3.18 1.51 0.14 -4.89 117.35 120.06 2wdh s TYR 42 Ca -0.03 -0.86 -0.27 0.00 -1.01 0.00 0.00 57.07 54.91 2wdh s TYR 42 Cb -0.14 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 2wdh s TYR 42 CO 0.02 -0.33 1.00 -0.51 -1.11 0.00 0.00 175.55 174.62 2wdh s LEU 43 N 0.44 3.92 0.10 -1.29 1.43 -1.26 -0.11 118.68 121.91 2wdh s LEU 43 Ca -0.12 0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 2wdh s LEU 43 Cb -0.16 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2wdh s LEU 43 CO 0.06 -0.93 0.28 0.00 0.23 0.00 0.00 176.35 175.99 2wdh s ALA 44 N 3.68 3.92 -0.31 4.21 0.00 -0.62 -4.20 121.76 128.45 2wdh s ALA 44 Ca 0.42 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 2wdh s ALA 44 Cb -0.11 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 2wdh s ALA 44 CO 0.20 0.72 0.45 -1.58 0.00 0.00 0.00 175.76 175.55 2wdh s HIS 45 N -1.61 3.22 -0.66 0.00 2.46 -0.12 -1.39 115.29 117.20 2wdh s HIS 45 Ca 0.37 0.29 0.02 0.00 0.47 0.00 0.00 55.06 56.22 2wdh s HIS 45 Cb -0.12 -2.74 0.16 0.00 -0.13 0.00 0.00 32.58 29.74 2wdh s HIS 45 CO 0.27 -0.39 0.45 0.34 -2.47 0.00 0.00 174.74 172.94 2wdh s ASP 46 N 1.68 4.89 0.58 9.88 3.68 -0.10 -2.67 116.67 134.62 2wdh s ASP 46 Ca 0.17 -3.40 0.28 0.00 2.13 0.00 0.00 52.55 51.73 2wdh s ASP 46 Cb -0.16 -1.71 1.65 0.00 -1.45 0.00 0.00 42.92 41.25 2wdh s ASP 46 CO 0.11 -0.19 2.11 1.55 0.13 0.00 0.00 175.17 178.88 2wdh h PRO 47 N 6.12 0.00 -0.02 4.34 0.13 -1.95 -0.43 132.00 140.19 2wdh h PRO 47 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2wdh h PRO 47 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2wdh h PRO 47 CO 0.73 0.00 -0.36 0.39 -0.23 0.00 0.00 178.00 178.52 2wdh n GLU 48 N -3.85 1.44 -3.99 0.86 1.02 -1.26 -4.98 120.64 109.88 2wdh n GLU 48 Ca 0.01 -1.18 -0.30 0.00 -0.02 0.00 0.00 57.16 55.68 2wdh n GLU 48 Cb 0.30 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 2wdh n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wdh n GLU 49 N 0.25 -2.21 -0.08 3.49 1.02 -0.17 -4.90 120.64 118.04 2wdh n GLU 49 Ca 0.10 0.32 -0.08 0.00 -0.02 0.00 0.00 57.16 57.49 2wdh n GLU 49 Cb 0.49 -4.08 -0.03 0.00 -0.02 0.00 0.00 31.44 27.81 2wdh n GLU 49 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2wdh n LYS 50 N -4.47 0.45 -1.71 3.49 2.85 -1.26 -4.94 118.16 112.56 2wdh n LYS 50 Ca -0.26 0.18 -0.58 0.00 -1.05 0.00 0.00 58.31 56.60 2wdh n LYS 50 Cb 0.66 -1.29 -0.07 0.00 -0.65 0.00 0.00 35.03 33.68 2wdh n LYS 50 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2wdh n TYR 51 N -4.21 2.05 -3.39 5.58 4.02 -1.26 -4.94 117.16 115.01 2wdh n TYR 51 Ca -0.12 0.56 -0.22 0.00 -0.01 0.00 0.00 57.90 58.11 2wdh n TYR 51 Cb 0.44 -2.45 0.03 0.00 -0.02 0.00 0.00 39.34 37.34 2wdh n TYR 51 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 2wdh s LYS 52 N 3.58 2.30 0.96 -0.72 0.00 -1.26 -4.98 119.74 119.61 2wdh s LYS 52 Ca 0.99 -1.78 -0.12 0.00 0.00 0.00 0.00 55.97 55.05 2wdh s LYS 52 Cb -1.09 -2.42 0.08 0.00 0.00 0.00 0.00 37.83 34.39 2wdh s LYS 52 CO 0.67 -0.73 0.60 -0.11 0.00 0.00 0.00 175.35 175.77 2wdh n LEU 53 N -2.02 0.57 0.00 2.77 7.94 -1.26 -2.31 117.00 122.69 2wdh n LEU 53 Ca 0.08 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 2wdh n LEU 53 Cb 0.63 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.31 2wdh n LEU 53 CO 0.40 -3.21 0.00 0.61 -1.11 0.00 0.00 177.39 174.07 2wdh n GLY 54 N 1.19 0.16 3.82 -3.96 0.00 -1.18 -4.68 105.19 100.54 2wdh n GLY 54 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 2wdh n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wdh s ASP 55 N -2.15 6.95 -0.39 1.61 1.11 -0.98 -1.35 116.67 121.48 2wdh s ASP 55 Ca 0.00 1.60 -0.03 0.00 0.18 0.00 0.00 52.55 54.30 2wdh s ASP 55 Cb 0.00 -2.50 0.10 0.00 1.07 0.00 0.00 42.92 41.59 2wdh s ASP 55 CO 0.00 -0.27 0.17 -0.69 1.18 0.00 0.00 175.17 175.56 2wdh s VAL 56 N -2.04 3.24 0.25 -1.27 1.01 -0.82 0.22 120.40 121.00 2wdh s VAL 56 Ca 0.58 -1.94 0.02 0.00 0.00 0.00 0.00 61.98 60.63 2wdh s VAL 56 Cb -0.11 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2wdh s VAL 56 CO 0.16 -0.59 0.13 1.33 0.00 0.00 0.00 175.10 176.12 2wdh n VAL 57 N 4.60 0.00 -5.11 2.92 0.24 -1.01 0.20 118.33 120.17 2wdh n VAL 57 Ca -0.04 -1.06 -0.30 0.00 -2.04 0.00 0.00 64.34 60.91 2wdh n VAL 57 Cb 0.42 -0.12 -0.15 0.00 -1.47 0.00 0.00 33.84 32.52 2wdh n VAL 57 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2wdh s GLU 58 N -2.99 1.90 -0.01 7.34 2.02 -0.77 -2.92 118.70 123.27 2wdh s GLU 58 Ca 0.10 -0.94 0.04 0.00 0.02 0.00 0.00 54.97 54.19 2wdh s GLU 58 Cb -0.01 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.28 2wdh s GLU 58 CO 0.06 0.51 -0.10 0.42 0.02 0.00 0.00 175.26 176.18 2wdh s ILE 59 N -0.65 3.43 -0.07 -1.63 -1.09 0.42 0.17 121.20 121.78 2wdh s ILE 59 Ca 0.10 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 2wdh s ILE 59 Cb -0.10 -2.45 0.02 0.00 -1.58 0.00 0.00 42.46 38.35 2wdh s ILE 59 CO -0.00 0.44 -0.09 -0.51 -1.23 0.00 0.00 174.94 173.55 2wdh s ILE 60 N -0.92 0.93 -0.27 2.92 2.07 -1.01 -1.19 121.20 123.73 2wdh s ILE 60 Ca 0.15 -0.33 -0.42 0.00 -1.41 0.00 0.00 60.65 58.64 2wdh s ILE 60 Cb -0.11 -0.90 -0.18 0.00 0.13 0.00 0.00 42.46 41.40 2wdh s ILE 60 CO 0.05 0.32 1.54 1.21 -1.91 0.00 0.00 174.94 176.16 2wdh n GLU 61 N 4.14 0.57 -4.33 3.50 2.13 0.08 -2.84 120.64 123.88 2wdh n GLU 61 Ca -0.21 0.21 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 2wdh n GLU 61 Cb 0.51 -1.79 -0.09 0.00 0.27 0.00 0.00 31.44 30.34 2wdh n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2wdh s SER 62 N 2.45 1.60 0.37 4.31 0.01 -0.98 -4.80 113.70 116.66 2wdh s SER 62 Ca 0.98 -1.60 -0.28 0.00 1.31 0.00 0.00 55.95 56.36 2wdh s SER 62 Cb -1.24 0.43 -0.10 0.00 0.21 0.00 0.00 66.02 65.33 2wdh s SER 62 CO 0.68 -0.93 1.37 -0.60 0.41 0.00 0.00 173.24 174.17 2wdh s ARG 63 N -3.75 4.14 -0.03 12.44 3.52 -1.26 -4.59 118.95 129.42 2wdh s ARG 63 Ca 0.36 2.33 -0.37 0.00 -0.13 0.00 0.00 55.73 57.92 2wdh s ARG 63 Cb 0.04 -2.93 -0.15 0.00 -1.56 0.00 0.00 34.95 30.35 2wdh s ARG 63 CO 0.19 -0.41 1.58 -2.30 -0.81 0.00 0.00 175.30 173.55 2wdh n PRO 64 N 0.46 1.49 -0.01 5.12 -0.02 -1.26 -4.72 135.00 136.06 2wdh n PRO 64 Ca 0.02 0.54 0.05 0.00 -2.02 0.00 0.00 63.50 62.08 2wdh n PRO 64 Cb 0.41 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 2wdh n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wdh n ILE 65 N 3.66 0.14 -3.60 4.25 5.41 -0.84 -5.05 119.36 123.33 2wdh n ILE 65 Ca 0.21 -0.34 0.02 0.00 1.00 0.00 0.00 62.75 63.64 2wdh n ILE 65 Cb 0.21 0.06 -0.00 0.00 -0.71 0.00 0.00 39.64 39.19 2wdh n ILE 65 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wdh s SER 66 N -3.69 -0.05 0.83 4.38 1.04 -1.18 -5.02 113.70 110.02 2wdh s SER 66 Ca -0.05 -0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.16 2wdh s SER 66 Cb 0.08 0.12 0.08 0.00 0.10 0.00 0.00 66.02 66.39 2wdh s SER 66 CO 0.54 -0.21 1.07 1.17 0.98 0.00 0.00 173.24 176.79 2wdh n LYS 67 N -0.45 0.05 0.00 4.02 4.81 -1.26 -1.98 118.16 123.34 2wdh n LYS 67 Ca -0.08 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2wdh n LYS 67 Cb 0.63 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.35 2wdh n LYS 67 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2wdh n ARG 68 N -3.09 0.00 -3.58 1.64 3.00 -1.26 -4.84 116.66 108.53 2wdh n ARG 68 Ca 0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.57 2wdh n ARG 68 Cb 0.51 -2.48 -0.09 0.00 0.00 0.00 0.00 32.46 30.40 2wdh n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2wdh s LYS 69 N 0.00 2.49 -0.27 -0.14 2.20 -0.84 -4.51 119.74 118.67 2wdh s LYS 69 Ca 0.00 -1.87 0.13 0.00 -0.36 0.00 0.00 55.97 53.87 2wdh s LYS 69 Cb 0.00 -3.90 0.48 0.00 -1.51 0.00 0.00 37.83 32.90 2wdh s LYS 69 CO 0.00 -1.19 1.16 0.54 -0.36 0.00 0.00 175.35 175.51 2wdh n ARG 70 N 4.70 2.83 -3.69 4.03 3.00 -1.26 -1.99 116.66 124.29 2wdh n ARG 70 Ca -0.05 -3.88 -0.10 0.00 -0.01 0.00 0.00 57.85 53.82 2wdh n ARG 70 Cb 0.41 -1.99 -0.10 0.00 0.00 0.00 0.00 32.46 30.78 2wdh n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2wdh s PHE 71 N -3.61 -0.65 -0.14 -1.55 0.08 -1.26 -2.32 117.98 108.53 2wdh s PHE 71 Ca 0.42 1.36 -0.08 0.00 0.12 0.00 0.00 56.93 58.75 2wdh s PHE 71 Cb 0.38 0.29 -0.04 0.00 -0.57 0.00 0.00 43.02 43.08 2wdh s PHE 71 CO 0.00 -0.37 0.13 1.03 -0.10 0.00 0.00 175.22 175.92 2wdh s ARG 72 N 1.51 3.63 0.48 0.44 0.52 -1.13 -0.94 118.95 123.46 2wdh s ARG 72 Ca -0.09 -0.16 -0.24 0.00 -0.52 0.00 0.00 55.73 54.72 2wdh s ARG 72 Cb -0.08 -3.24 -0.07 0.00 0.52 0.00 0.00 34.95 32.07 2wdh s ARG 72 CO -0.13 0.65 1.39 0.08 0.02 0.00 0.00 175.30 177.31 2wdh s VAL 73 N -0.65 2.11 -0.14 3.52 1.01 -1.09 -2.40 120.40 122.77 2wdh s VAL 73 Ca 0.13 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2wdh s VAL 73 Cb -0.12 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2wdh s VAL 73 CO 0.02 0.01 -0.29 -0.11 0.00 0.00 0.00 175.10 174.73 2wdh n LEU 74 N -0.50 1.74 -3.58 3.92 -0.00 0.45 -4.87 117.00 114.16 2wdh n LEU 74 Ca 0.07 0.29 -0.11 0.00 -0.00 0.00 0.00 56.01 56.26 2wdh n LEU 74 Cb 0.43 -0.68 -0.05 0.00 -0.00 0.00 0.00 43.42 43.12 2wdh n LEU 74 CO 0.56 -0.34 0.75 0.00 -0.00 0.00 0.00 177.39 178.36 2wdh s ARG 75 N -2.71 0.61 0.36 1.96 1.70 -1.25 -4.95 118.95 114.69 2wdh s ARG 75 Ca -0.24 0.20 -0.26 0.00 -0.47 0.00 0.00 55.73 54.96 2wdh s ARG 75 Cb 0.03 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 2wdh s ARG 75 CO 0.36 -0.18 1.12 -1.17 -1.08 0.00 0.00 175.30 174.35 2wdh s LEU 76 N -0.97 4.29 -0.20 -1.89 2.96 -1.26 -1.85 118.68 119.75 2wdh s LEU 76 Ca -0.02 2.26 0.17 0.00 -0.22 0.00 0.00 54.13 56.32 2wdh s LEU 76 Cb -0.01 -3.94 0.46 0.00 0.50 0.00 0.00 46.19 43.20 2wdh s LEU 76 CO 0.01 -0.47 1.17 0.52 -1.32 0.00 0.00 176.35 176.26 2wdh n VAL 77 N 0.37 1.51 0.00 1.68 0.31 0.13 -4.97 118.33 117.36 2wdh n VAL 77 Ca 0.03 -2.90 0.00 0.00 -0.01 0.00 0.00 64.34 61.46 2wdh n VAL 77 Cb 0.47 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.67 2wdh n VAL 77 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2wdh n GLU 78 N -0.48 0.00 -3.17 5.55 0.28 -1.25 -4.88 120.64 116.68 2wdh n GLU 78 Ca 0.19 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.99 2wdh n GLU 78 Cb 0.90 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.82 2wdh n GLU 78 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2wdh s SER 79 N 0.00 5.04 -0.32 -1.84 0.15 -1.26 -1.94 113.70 113.53 2wdh s SER 79 Ca 0.00 -0.90 -0.05 0.00 0.70 0.00 0.00 55.95 55.70 2wdh s SER 79 Cb 0.00 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 2wdh s SER 79 CO 0.00 -1.29 0.16 0.61 1.20 0.00 0.00 173.24 173.93 2wdh n GLY 80 N -2.16 -3.12 2.66 9.45 0.00 -1.20 -4.91 105.19 105.91 2wdh n GLY 80 Ca 0.13 0.64 -0.00 0.00 0.00 0.00 0.00 46.02 46.78 2wdh n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdh n ARG 81 N 0.49 1.47 0.25 1.61 5.12 -0.45 -4.91 116.66 120.23 2wdh n ARG 81 Ca 0.03 -2.71 0.15 0.00 -1.93 0.00 0.00 57.85 53.38 2wdh n ARG 81 Cb 0.17 -0.89 0.67 0.00 -1.16 0.00 0.00 32.46 31.25 2wdh n ARG 81 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 2wdh h MET 82 N 1.99 0.00 -0.83 5.56 2.86 -1.93 0.28 114.93 122.86 2wdh h MET 82 Ca -0.24 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 2wdh h MET 82 Cb 1.32 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.94 2wdh h MET 82 CO 0.06 0.00 0.50 0.38 1.06 0.00 0.00 176.91 178.91 2wdh h ASP 83 N 0.00 1.01 -0.19 1.22 2.03 -1.95 0.71 116.42 119.25 2wdh h ASP 83 Ca 0.07 -0.07 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 2wdh h ASP 83 Cb 1.08 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 39.32 2wdh h ASP 83 CO -0.00 0.78 -0.20 -0.07 -1.03 0.00 0.00 179.24 178.72 2wdh h LEU 84 N 1.15 0.50 -1.30 0.15 3.38 -0.85 -2.85 115.31 115.49 2wdh h LEU 84 Ca 0.30 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2wdh h LEU 84 Cb -0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2wdh h LEU 84 CO -0.05 0.88 0.49 0.58 0.09 0.00 0.00 178.44 180.43 2wdh h VAL 85 N 0.13 1.10 -0.07 1.22 2.07 -1.26 -2.68 116.25 116.77 2wdh h VAL 85 Ca 0.03 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2wdh h VAL 85 Cb 0.75 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2wdh h VAL 85 CO 0.05 0.16 -0.10 -0.33 0.02 0.00 0.00 177.57 177.38 2wdh h GLU 86 N 0.90 -0.06 -0.48 1.57 4.39 0.67 -1.57 114.58 120.00 2wdh h GLU 86 Ca 0.30 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.05 2wdh h GLU 86 Cb 0.07 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 2wdh h GLU 86 CO -0.09 -0.04 -0.31 0.87 -1.16 0.00 0.00 179.01 178.27 2wdh h LYS 87 N -0.07 -0.04 -1.03 2.33 1.79 -1.45 0.40 116.57 118.51 2wdh h LYS 87 Ca 0.01 0.00 0.34 0.00 -2.18 0.00 0.00 60.65 58.83 2wdh h LYS 87 Cb 0.10 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 30.61 2wdh h LYS 87 CO -0.10 -0.02 0.59 -0.92 -1.08 0.00 0.00 179.45 177.91 2wdh h TYR 88 N -0.04 0.88 -0.11 -1.35 3.20 -1.39 0.47 116.97 118.63 2wdh h TYR 88 Ca 0.08 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 61.75 2wdh h TYR 88 Cb 0.24 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.29 2wdh h TYR 88 CO -0.93 -0.22 -0.83 -0.07 -1.64 0.00 0.00 178.16 174.47 2wdh h LEU 89 N 0.26 0.92 0.06 2.82 3.38 0.64 -2.98 115.31 120.41 2wdh h LEU 89 Ca 0.75 -0.66 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wdh h LEU 89 Cb 1.83 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2wdh h LEU 89 CO -0.61 1.44 -0.03 0.40 0.09 0.00 0.00 178.44 179.73 2wdh h ILE 90 N 0.47 1.10 -0.65 1.22 1.08 0.31 -0.58 117.51 120.46 2wdh h ILE 90 Ca -0.07 -0.55 0.13 0.00 -0.39 0.00 0.00 64.86 63.98 2wdh h ILE 90 Cb 1.47 1.46 -0.12 0.00 -3.07 0.00 0.00 36.82 36.57 2wdh h ILE 90 CO 0.17 0.14 -0.11 0.03 -0.69 0.00 0.00 178.15 177.68 2wdh h ARG 91 N -0.33 0.03 -0.45 2.37 3.08 -0.85 -0.27 114.38 117.96 2wdh h ARG 91 Ca -0.01 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2wdh h ARG 91 Cb 0.29 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2wdh h ARG 91 CO 0.01 0.02 0.22 -0.09 -1.07 0.00 0.00 179.97 179.06 2wdh h ARG 92 N 0.03 0.42 -0.91 0.04 2.43 -1.32 -2.63 114.38 112.43 2wdh h ARG 92 Ca 0.32 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 2wdh h ARG 92 Cb 0.51 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 2wdh h ARG 92 CO -0.64 0.28 0.60 1.96 -1.51 0.00 0.00 179.97 180.67 2wdh h GLN 93 N 0.44 1.13 0.00 0.20 4.20 0.56 -2.08 115.11 119.56 2wdh h GLN 93 Ca 0.20 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2wdh h GLN 93 Cb 0.11 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 2wdh h GLN 93 CO -0.15 0.75 -0.00 -0.91 -0.67 0.00 0.00 178.83 177.85 2wdh h ASN 94 N 1.17 0.00 -0.22 1.46 2.35 -0.98 -2.07 115.58 117.29 2wdh h ASN 94 Ca 0.36 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.15 2wdh h ASN 94 Cb -0.02 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 2wdh h ASN 94 CO -0.10 0.00 -0.06 1.88 -1.65 0.00 0.00 177.43 177.50 2wdh h TYR 95 N 0.00 -0.13 0.00 1.19 0.05 -1.40 -0.70 116.97 115.97 2wdh h TYR 95 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2wdh h TYR 95 Cb 0.05 0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2wdh h TYR 95 CO 0.00 -0.10 0.48 -1.91 -1.05 0.00 0.00 178.16 175.57 2wdh n GLU 96 N -5.22 0.05 -0.64 4.88 2.13 -0.78 0.12 120.64 121.18 2wdh n GLU 96 Ca -0.02 0.49 0.01 0.00 0.66 0.00 0.00 57.16 58.30 2wdh n GLU 96 Cb 0.14 -2.14 0.21 0.00 0.27 0.00 0.00 31.44 29.92 2wdh n GLU 96 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2wdh n SER 97 N -1.85 2.78 -0.04 4.31 3.41 -0.27 -4.38 113.62 117.58 2wdh n SER 97 Ca -0.00 -3.54 0.01 0.00 -0.26 0.00 0.00 58.87 55.08 2wdh n SER 97 Cb 0.49 -0.59 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 2wdh n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wdh n LEU 98 N -1.00 1.22 0.00 1.04 4.77 0.31 -5.05 117.00 118.30 2wdh n LEU 98 Ca 0.28 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 2wdh n LEU 98 Cb 0.95 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2wdh n LEU 98 CO 0.15 0.33 0.00 -1.54 -1.33 0.00 0.00 177.39 175.01 2wdh n SER 99 N -0.39 0.00 -2.77 -1.43 3.41 -1.25 -5.06 113.62 106.13 2wdh n SER 99 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.56 2wdh n SER 99 Cb 0.40 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.38 2wdh n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wdh n LYS 100 N 0.00 0.65 0.00 4.33 5.02 -1.26 -5.18 118.16 121.73 2wdh n LYS 100 Ca 0.00 -1.93 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 2wdh n LYS 100 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2wdh n LYS 100 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75