#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdh s ILE 4 N 0.00 5.11 -0.06 -0.18 1.01 -1.21 -3.08 121.20 122.79 2wdh s ILE 4 Ca 0.00 0.70 0.05 0.00 0.00 0.00 0.00 60.65 61.40 2wdh s ILE 4 Cb 0.00 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 2wdh s ILE 4 CO 0.00 0.56 -0.22 -0.60 0.00 0.00 0.00 174.94 174.68 2wdh s ARG 5 N -1.16 2.36 -0.10 2.79 3.52 0.50 -3.00 118.95 123.87 2wdh s ARG 5 Ca 0.23 -0.78 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 2wdh s ARG 5 Cb -0.16 -1.96 0.01 0.00 -1.56 0.00 0.00 34.95 31.29 2wdh s ARG 5 CO 0.12 0.28 -0.16 0.96 -0.81 0.00 0.00 175.30 175.70 2wdh s ILE 6 N 0.03 1.50 -0.20 4.11 -4.36 -1.14 0.67 121.20 121.82 2wdh s ILE 6 Ca -0.07 -0.66 -0.09 0.00 -0.26 0.00 0.00 60.65 59.58 2wdh s ILE 6 Cb -0.14 -1.36 -0.04 0.00 1.25 0.00 0.00 42.46 42.17 2wdh s ILE 6 CO 0.04 0.44 0.09 -0.54 0.24 0.00 0.00 174.94 175.21 2wdh s LYS 7 N 0.83 4.04 -0.13 0.37 -0.14 0.49 -2.90 119.74 122.29 2wdh s LYS 7 Ca -0.10 -0.30 0.03 0.00 -1.36 0.00 0.00 55.97 54.23 2wdh s LYS 7 Cb -0.15 -3.32 0.01 0.00 -1.68 0.00 0.00 37.83 32.69 2wdh s LYS 7 CO 0.01 0.24 -0.22 -0.51 -0.76 0.00 0.00 175.35 174.11 2wdh s LEU 8 N 0.50 2.07 0.00 3.17 1.43 0.29 0.24 118.68 126.39 2wdh s LEU 8 Ca 0.05 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2wdh s LEU 8 Cb -0.12 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.69 2wdh s LEU 8 CO 0.00 0.09 0.00 0.54 0.23 0.00 0.00 176.35 177.21 2wdh n ARG 9 N 3.99 1.44 0.00 1.70 1.74 -1.16 -0.11 116.66 124.25 2wdh n ARG 9 Ca -0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 2wdh n ARG 9 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 2wdh n ARG 9 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdh n GLY 10 N 1.84 0.54 0.27 -0.13 0.00 -1.25 -3.01 105.19 103.45 2wdh n GLY 10 Ca 0.00 -2.18 -0.00 0.00 0.00 0.00 0.00 46.02 43.84 2wdh n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdh n PHE 11 N 1.26 0.00 -2.63 1.61 0.99 -1.26 -3.06 117.46 114.37 2wdh n PHE 11 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 2wdh n PHE 11 Cb 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 39.48 38.45 2wdh n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2wdh s ASP 12 N -4.29 7.21 0.00 4.37 3.68 -1.26 -4.62 116.67 121.76 2wdh s ASP 12 Ca -0.00 1.63 0.00 0.00 2.13 0.00 0.00 52.55 56.30 2wdh s ASP 12 Cb 0.00 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.91 2wdh s ASP 12 CO 0.00 -0.46 0.66 0.00 0.13 0.00 0.00 175.17 175.51 2wdh n HIS 13 N 4.88 0.00 -0.02 -5.34 1.44 -1.26 -3.08 115.22 111.84 2wdh n HIS 13 Ca 0.09 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.75 2wdh n HIS 13 Cb 0.48 -0.04 -0.02 0.00 0.12 0.00 0.00 29.99 30.54 2wdh n HIS 13 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2wdh n LYS 14 N -0.23 0.11 0.00 -1.40 5.02 -1.26 -3.91 118.16 116.48 2wdh n LYS 14 Ca 0.00 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 2wdh n LYS 14 Cb 0.10 -0.69 0.32 0.00 -0.02 0.00 0.00 35.03 34.75 2wdh n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wdh n THR 15 N -3.31 0.76 0.15 -0.18 -2.24 -1.23 -1.51 114.28 106.72 2wdh n THR 15 Ca -0.09 0.19 0.05 0.00 -2.27 0.00 0.00 64.05 61.93 2wdh n THR 15 Cb 0.50 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.69 2wdh n THR 15 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2wdh n LEU 16 N -1.34 0.15 0.09 3.22 -0.00 -1.18 -3.93 117.00 114.00 2wdh n LEU 16 Ca 0.05 -0.16 0.12 0.00 -0.00 0.00 0.00 56.01 56.03 2wdh n LEU 16 Cb 0.12 0.00 0.28 0.00 -0.00 0.00 0.00 43.42 43.82 2wdh n LEU 16 CO 0.11 0.04 0.62 -0.78 -0.00 0.00 0.00 177.39 177.37 2wdh h ASP 17 N 0.00 0.00 0.00 1.96 3.58 -1.39 -3.05 116.42 117.53 2wdh h ASP 17 Ca 0.00 -0.10 -0.15 0.00 0.42 0.00 0.00 57.03 57.20 2wdh h ASP 17 Cb 0.38 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2wdh h ASP 17 CO 0.00 0.05 -1.78 0.00 -2.88 0.00 0.00 179.24 174.63 2wdh n ALA 18 N -1.82 1.95 0.43 -0.78 0.00 -1.02 -3.91 120.51 115.37 2wdh n ALA 18 Ca 0.04 -0.66 0.13 0.00 0.00 0.00 0.00 53.44 52.95 2wdh n ALA 18 Cb 0.44 -0.16 0.29 0.00 0.00 0.00 0.00 19.45 20.02 2wdh n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdh h SER 19 N 0.00 0.00 0.78 0.00 4.64 -1.68 -0.95 113.55 116.34 2wdh h SER 19 Ca -0.23 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 2wdh h SER 19 Cb 1.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 2wdh h SER 19 CO 0.01 0.00 -1.24 0.00 -0.87 0.00 0.00 176.83 174.73 2wdh n ALA 20 N -1.94 2.46 1.07 5.18 0.00 -1.15 -3.37 120.51 122.76 2wdh n ALA 20 Ca 0.05 -0.34 0.11 0.00 0.00 0.00 0.00 53.44 53.26 2wdh n ALA 20 Cb 0.48 -1.02 0.11 0.00 0.00 0.00 0.00 19.45 19.02 2wdh n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdh n GLN 21 N -2.65 0.79 -0.09 0.00 7.27 -1.13 -4.20 117.38 117.38 2wdh n GLN 21 Ca -0.03 -0.60 -0.18 0.00 0.07 0.00 0.00 57.00 56.26 2wdh n GLN 21 Cb 0.61 -1.49 -0.11 0.00 2.41 0.00 0.00 30.24 31.65 2wdh n GLN 21 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2wdh h LYS 22 N 1.46 0.00 -2.09 3.69 3.11 -1.25 -3.36 116.57 118.14 2wdh h LYS 22 Ca 0.00 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 2wdh h LYS 22 Cb 0.62 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.83 2wdh h LYS 22 CO 0.00 0.95 -0.06 -0.89 -2.81 0.00 0.00 179.45 176.64 2wdh n ILE 23 N -4.50 1.77 -0.20 2.00 5.41 -1.22 -1.89 119.36 120.73 2wdh n ILE 23 Ca -0.23 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 62.87 2wdh n ILE 23 Cb 0.59 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 2wdh n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2wdh n VAL 24 N 1.99 0.00 0.00 1.39 0.31 -1.26 -4.73 118.33 116.04 2wdh n VAL 24 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2wdh n VAL 24 Cb 0.49 0.80 0.00 0.00 -0.91 0.00 0.00 33.84 34.22 2wdh n VAL 24 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wdh n GLU 25 N 0.00 2.23 -0.66 5.55 1.02 -0.79 -3.83 120.64 124.16 2wdh n GLU 25 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 2wdh n GLU 25 Cb 0.00 -1.00 0.37 0.00 -0.02 0.00 0.00 31.44 30.79 2wdh n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wdh n ALA 26 N -1.77 3.18 0.00 0.62 0.00 -1.10 -3.60 120.51 117.84 2wdh n ALA 26 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.80 2wdh n ALA 26 Cb 0.28 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2wdh n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdh n ALA 27 N 1.12 1.48 0.05 0.00 0.00 -1.26 -4.46 120.51 117.43 2wdh n ALA 27 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.64 2wdh n ALA 27 Cb 0.93 0.12 0.10 0.00 0.00 0.00 0.00 19.45 20.60 2wdh n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdh h ARG 28 N 0.00 0.38 -0.37 0.00 3.08 -1.70 0.22 114.38 115.99 2wdh h ARG 28 Ca 0.00 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.65 2wdh h ARG 28 Cb 0.48 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2wdh h ARG 28 CO 0.00 0.84 -0.40 -0.09 -1.07 0.00 0.00 179.97 179.25 2wdh h ARG 29 N 0.29 0.90 0.00 0.04 2.43 -1.84 -3.25 114.38 112.95 2wdh h ARG 29 Ca 0.00 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2wdh h ARG 29 Cb 1.07 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2wdh h ARG 29 CO 0.10 1.13 -0.82 0.66 -1.51 0.00 0.00 179.97 179.52 2wdh h SER 30 N 0.73 0.00 -4.05 -3.80 4.64 -1.75 -3.48 113.55 105.84 2wdh h SER 30 Ca 0.06 -0.14 -0.52 0.00 -0.47 0.00 0.00 61.79 60.72 2wdh h SER 30 Cb 0.99 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.94 2wdh h SER 30 CO 0.10 0.07 -0.51 -0.83 -0.87 0.00 0.00 176.83 174.78 2wdh s GLY 31 N -3.97 2.48 0.00 -0.77 0.00 0.75 -3.68 107.32 102.13 2wdh s GLY 31 Ca 0.03 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.24 2wdh s GLY 31 CO 0.76 -1.71 0.16 0.00 0.00 0.00 0.00 173.10 172.31 2wdh n ALA 32 N -0.80 0.00 -3.18 3.20 0.00 -1.26 -4.54 120.51 113.93 2wdh n ALA 32 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 2wdh n ALA 32 Cb 0.64 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 20.04 2wdh n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wdh s GLN 33 N -0.33 0.61 -0.11 0.00 -0.21 -1.26 -4.83 119.66 113.53 2wdh s GLN 33 Ca 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.12 2wdh s GLN 33 Cb 0.00 0.27 -0.01 0.00 1.00 0.00 0.00 33.01 34.27 2wdh s GLN 33 CO 0.00 -0.16 -0.20 0.08 -2.12 0.00 0.00 175.29 172.88 2wdh s VAL 34 N -1.42 2.40 0.05 1.09 1.01 -1.26 -0.62 120.40 121.64 2wdh s VAL 34 Ca -0.14 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 60.64 2wdh s VAL 34 Cb -0.06 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.31 2wdh s VAL 34 CO 0.03 0.55 1.49 -0.94 0.00 0.00 0.00 175.10 176.23 2wdh s SER 35 N 0.31 6.76 0.48 3.32 1.04 0.14 -4.93 113.70 120.82 2wdh s SER 35 Ca -0.15 2.28 -0.14 0.00 0.48 0.00 0.00 55.95 58.42 2wdh s SER 35 Cb -0.17 -2.57 -0.12 0.00 0.10 0.00 0.00 66.02 63.26 2wdh s SER 35 CO 0.08 -0.77 -0.21 0.61 0.98 0.00 0.00 173.24 173.93 2wdh n GLY 36 N 3.74 -2.80 3.64 7.32 0.00 -1.26 -3.95 105.19 111.88 2wdh n GLY 36 Ca 0.14 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 2wdh n GLY 36 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdh n PRO 37 N 1.36 2.51 -4.16 1.61 -0.02 -1.26 -4.78 135.00 130.26 2wdh n PRO 37 Ca 0.05 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 62.06 2wdh n PRO 37 Cb 0.39 -3.00 -0.13 0.00 -0.02 0.00 0.00 33.50 30.75 2wdh n PRO 37 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2wdh s ILE 38 N 5.40 3.82 -0.31 4.25 -4.36 0.17 -4.97 121.20 125.20 2wdh s ILE 38 Ca 0.93 -0.36 -0.16 0.00 -0.26 0.00 0.00 60.65 60.80 2wdh s ILE 38 Cb -0.46 -2.71 -0.02 0.00 1.25 0.00 0.00 42.46 40.51 2wdh s ILE 38 CO 0.42 0.45 0.41 -2.16 0.24 0.00 0.00 174.94 174.30 2wdh s PRO 39 N 0.89 3.79 0.91 0.37 0.04 -1.26 0.81 135.00 140.55 2wdh s PRO 39 Ca 0.00 -0.13 -0.14 0.00 0.04 0.00 0.00 61.00 60.77 2wdh s PRO 39 Cb -0.14 -3.74 0.17 0.00 0.04 0.00 0.00 34.50 30.83 2wdh s PRO 39 CO 0.02 -0.45 1.27 -0.48 0.04 0.00 0.00 177.00 177.40 2wdh s LEU 40 N 2.15 2.69 0.10 -3.56 2.34 -1.21 -4.94 118.68 116.24 2wdh s LEU 40 Ca 0.15 0.35 -0.36 0.00 0.06 0.00 0.00 54.13 54.33 2wdh s LEU 40 Cb -0.16 -2.51 -0.17 0.00 -0.56 0.00 0.00 46.19 42.79 2wdh s LEU 40 CO 0.11 -2.50 1.33 -0.81 -1.06 0.00 0.00 176.35 173.43 2wdh n PRO 41 N -3.61 1.18 -2.61 1.48 -0.04 -1.26 -4.51 135.00 125.63 2wdh n PRO 41 Ca 0.14 0.43 -0.43 0.00 -0.04 0.00 0.00 63.50 63.59 2wdh n PRO 41 Cb 0.60 -2.06 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 2wdh n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wdh s THR 42 N 0.44 4.15 -0.16 0.52 2.01 -1.26 -4.41 115.64 116.92 2wdh s THR 42 Ca 0.83 -1.71 -0.37 0.00 0.31 0.00 0.00 61.69 60.75 2wdh s THR 42 Cb -0.94 -5.14 -0.14 0.00 0.01 0.00 0.00 72.50 66.29 2wdh s THR 42 CO 0.47 -1.97 1.76 0.54 -0.69 0.00 0.00 174.62 174.73 2wdh n ARG 43 N 8.27 1.59 -3.84 4.92 5.12 -1.21 -4.79 116.66 126.72 2wdh n ARG 43 Ca 0.44 0.58 -0.34 0.00 -1.93 0.00 0.00 57.85 56.60 2wdh n ARG 43 Cb 0.47 -2.33 -0.05 0.00 -1.16 0.00 0.00 32.46 29.39 2wdh n ARG 43 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wdh s VAL 44 N 3.44 5.38 -0.51 1.55 1.01 -1.26 -1.95 120.40 128.06 2wdh s VAL 44 Ca 0.94 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.94 2wdh s VAL 44 Cb -0.90 -3.54 0.15 0.00 0.00 0.00 0.00 36.38 32.08 2wdh s VAL 44 CO 0.58 0.35 0.31 -0.60 0.00 0.00 0.00 175.10 175.74 2wdh s ARG 45 N -1.84 1.60 0.42 2.72 3.00 -1.23 -4.96 118.95 118.66 2wdh s ARG 45 Ca 0.27 -2.41 0.00 0.00 -1.00 0.00 0.00 55.73 52.59 2wdh s ARG 45 Cb -0.13 -2.59 -0.01 0.00 0.00 0.00 0.00 34.95 32.22 2wdh s ARG 45 CO 0.17 -1.21 0.63 1.03 0.00 0.00 0.00 175.30 175.92 2wdh s ARG 46 N -0.19 3.22 -0.29 5.12 0.52 -1.26 -0.20 118.95 125.86 2wdh s ARG 46 Ca 0.21 -0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 54.85 2wdh s ARG 46 Cb -0.16 -2.59 0.14 0.00 0.52 0.00 0.00 34.95 32.86 2wdh s ARG 46 CO -0.06 -0.13 0.93 -0.59 0.02 0.00 0.00 175.30 175.47 2wdh s PHE 47 N -2.48 -0.70 0.20 -0.53 -0.12 -0.94 -4.96 117.98 108.44 2wdh s PHE 47 Ca 0.46 1.33 -0.05 0.00 -0.05 0.00 0.00 56.93 58.62 2wdh s PHE 47 Cb -0.10 0.42 -0.06 0.00 -0.63 0.00 0.00 43.02 42.66 2wdh s PHE 47 CO 0.37 -0.35 0.45 0.99 -0.05 0.00 0.00 175.22 176.63 2wdh s THR 48 N 1.79 5.10 0.06 -4.49 2.01 -1.26 -3.10 115.64 115.75 2wdh s THR 48 Ca -0.07 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 2wdh s THR 48 Cb -0.05 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2wdh s THR 48 CO -0.16 -0.09 0.02 0.54 -0.69 0.00 0.00 174.62 174.24 2wdh s VAL 49 N -1.81 0.20 -0.53 3.82 0.11 -0.97 -4.99 120.40 116.24 2wdh s VAL 49 Ca 0.42 -1.68 -0.16 0.00 -2.93 0.00 0.00 61.98 57.64 2wdh s VAL 49 Cb -0.11 -1.50 0.11 0.00 -1.53 0.00 0.00 36.38 33.35 2wdh s VAL 49 CO 0.26 -0.91 0.49 0.27 -3.33 0.00 0.00 175.10 171.88 2wdh s ILE 50 N -3.91 5.19 0.00 7.04 -0.00 -1.26 -2.28 121.20 125.98 2wdh s ILE 50 Ca 0.07 -1.36 0.00 0.00 -0.00 0.00 0.00 60.65 59.36 2wdh s ILE 50 Cb 0.07 -4.29 0.00 0.00 -0.00 0.00 0.00 42.46 38.24 2wdh s ILE 50 CO -0.10 -0.81 0.26 0.54 -0.00 0.00 0.00 174.94 174.84 2wdh n ARG 51 N 5.30 0.00 -1.55 0.37 1.74 -1.26 -4.60 116.66 116.66 2wdh n ARG 51 Ca -0.13 0.26 -0.38 0.00 -0.77 0.00 0.00 57.85 56.83 2wdh n ARG 51 Cb 0.41 -0.49 0.05 0.00 -1.02 0.00 0.00 32.46 31.41 2wdh n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdh n GLY 52 N -0.77 -0.83 0.08 -0.13 0.00 -1.26 -4.95 105.19 97.33 2wdh n GLY 52 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2wdh n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wdh h PRO 53 N 0.32 -0.07 0.00 1.61 0.13 -2.01 -3.42 132.00 128.55 2wdh h PRO 53 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wdh h PRO 53 Cb 1.38 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2wdh h PRO 53 CO 0.49 0.44 0.00 0.34 -0.23 0.00 0.00 178.00 179.04 2wdh n PHE 54 N -4.86 0.00 -3.19 1.56 7.35 -1.26 -4.99 117.46 112.07 2wdh n PHE 54 Ca -0.09 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.65 2wdh n PHE 54 Cb 0.28 -0.17 -0.02 0.00 0.35 0.00 0.00 39.48 39.92 2wdh n PHE 54 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 2wdh s LYS 55 N -0.96 0.22 -0.45 -4.13 -2.85 -1.26 -5.03 119.74 105.27 2wdh s LYS 55 Ca 0.00 0.42 0.07 0.00 -1.00 0.00 0.00 55.97 55.46 2wdh s LYS 55 Cb 0.00 0.24 0.29 0.00 -2.06 0.00 0.00 37.83 36.30 2wdh s LYS 55 CO 0.00 -0.21 0.92 0.72 0.10 0.00 0.00 175.35 176.89 2wdh n HIS 56 N 5.36 -2.34 0.00 1.78 8.25 -1.26 -5.02 115.22 121.99 2wdh n HIS 56 Ca -0.07 -2.40 0.00 0.00 -0.26 0.00 0.00 57.72 55.00 2wdh n HIS 56 Cb 0.53 1.11 0.00 0.00 1.12 0.00 0.00 29.99 32.76 2wdh n HIS 56 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wdh n LYS 57 N 0.89 0.00 0.00 -0.41 4.76 -1.26 -4.53 118.16 117.61 2wdh n LYS 57 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2wdh n LYS 57 Cb 0.65 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 2wdh n LYS 57 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wdh n ASP 58 N -0.17 1.23 -3.16 4.39 8.00 -1.26 -4.85 116.55 120.72 2wdh n ASP 58 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 2wdh n ASP 58 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2wdh n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2wdh n SER 59 N 0.00 -0.08 -2.37 -2.24 3.41 -1.26 -4.72 113.62 106.35 2wdh n SER 59 Ca 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 2wdh n SER 59 Cb 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2wdh n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wdh n ARG 60 N -1.88 0.16 -3.71 4.33 1.74 -1.26 -4.68 116.66 111.37 2wdh n ARG 60 Ca -0.07 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.90 2wdh n ARG 60 Cb 0.16 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.48 2wdh n ARG 60 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2wdh s GLU 61 N -2.14 0.34 -0.03 5.56 2.12 -0.96 -4.86 118.70 118.73 2wdh s GLU 61 Ca 0.00 0.70 0.02 0.00 0.36 0.00 0.00 54.97 56.05 2wdh s GLU 61 Cb 0.00 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.36 2wdh s GLU 61 CO 0.00 -0.15 -0.06 -3.38 -0.54 0.00 0.00 175.26 171.12 2wdh s HIS 62 N 1.29 0.75 0.40 5.30 -3.43 -1.26 -2.30 115.29 116.04 2wdh s HIS 62 Ca -0.09 -0.18 0.06 0.00 -0.80 0.00 0.00 55.06 54.05 2wdh s HIS 62 Cb -0.09 -0.58 -0.07 0.00 -1.43 0.00 0.00 32.58 30.41 2wdh s HIS 62 CO -0.11 -0.11 0.02 -0.59 -2.00 0.00 0.00 174.74 171.95 2wdh s PHE 63 N 0.39 2.37 0.30 0.38 -0.00 -1.18 -4.96 117.98 115.29 2wdh s PHE 63 Ca -0.05 -0.75 0.03 0.00 -0.00 0.00 0.00 56.93 56.16 2wdh s PHE 63 Cb -0.09 -1.66 -0.06 0.00 -0.00 0.00 0.00 43.02 41.21 2wdh s PHE 63 CO 0.00 0.34 0.08 -1.83 -0.00 0.00 0.00 175.22 173.81 2wdh s GLU 64 N -3.76 1.58 -0.58 1.99 -1.05 -1.26 -2.21 118.70 113.41 2wdh s GLU 64 Ca 0.34 -1.88 0.06 0.00 -0.15 0.00 0.00 54.97 53.35 2wdh s GLU 64 Cb 0.09 -0.60 0.23 0.00 -0.44 0.00 0.00 34.13 33.41 2wdh s GLU 64 CO 0.17 -0.25 0.61 -0.11 0.95 0.00 0.00 175.26 176.63 2wdh n LEU 65 N -0.62 2.45 -4.55 1.83 7.94 0.72 -4.95 117.00 119.83 2wdh n LEU 65 Ca -0.02 -5.14 -0.41 0.00 -1.11 0.00 0.00 56.01 49.34 2wdh n LEU 65 Cb 0.66 -0.29 -0.04 0.00 0.53 0.00 0.00 43.42 44.28 2wdh n LEU 65 CO 0.40 1.98 1.96 0.54 -1.11 0.00 0.00 177.39 181.16 2wdh n ARG 66 N 1.37 1.25 -3.15 1.96 1.74 -1.26 -3.50 116.66 115.08 2wdh n ARG 66 Ca 0.26 0.20 -0.45 0.00 -0.77 0.00 0.00 57.85 57.09 2wdh n ARG 66 Cb 0.43 -3.11 -0.03 0.00 -1.02 0.00 0.00 32.46 28.73 2wdh n ARG 66 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2wdh s THR 67 N 10.15 5.09 0.91 0.55 -1.32 -0.82 -4.68 115.64 125.51 2wdh s THR 67 Ca 1.03 -1.67 -0.11 0.00 -1.21 0.00 0.00 61.69 59.74 2wdh s THR 67 Cb -0.40 -4.55 0.14 0.00 -1.51 0.00 0.00 72.50 66.18 2wdh s THR 67 CO 0.34 -1.18 1.12 -1.00 -2.21 0.00 0.00 174.62 171.69 2wdh s HIS 68 N 1.77 1.85 0.01 9.09 3.76 -1.17 -3.33 115.29 127.28 2wdh s HIS 68 Ca 0.19 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.73 2wdh s HIS 68 Cb -0.15 -3.24 -0.01 0.00 1.11 0.00 0.00 32.58 30.29 2wdh s HIS 68 CO -0.03 -2.69 -0.03 -0.80 -0.85 0.00 0.00 174.74 170.34 2wdh s ASN 69 N -2.87 0.28 -0.09 1.40 0.01 -1.26 -3.96 114.94 108.45 2wdh s ASN 69 Ca 0.65 -0.32 -0.22 0.00 -0.71 0.00 0.00 52.86 52.27 2wdh s ASN 69 Cb -0.21 0.05 0.05 0.00 0.41 0.00 0.00 41.25 41.54 2wdh s ASN 69 CO 0.58 -0.17 0.52 -0.60 -1.51 0.00 0.00 177.10 175.92 2wdh s ARG 70 N -0.92 0.79 0.02 -0.60 3.52 0.84 -3.29 118.95 119.32 2wdh s ARG 70 Ca -0.09 0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.80 2wdh s ARG 70 Cb -0.06 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 2wdh s ARG 70 CO -0.00 -0.20 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.06 2wdh s LEU 71 N -0.75 2.14 -0.14 -0.88 2.96 0.24 -0.54 118.68 121.70 2wdh s LEU 71 Ca -0.08 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 2wdh s LEU 71 Cb -0.03 -0.17 0.05 0.00 0.50 0.00 0.00 46.19 46.54 2wdh s LEU 71 CO 0.05 -0.09 0.35 -0.69 -1.32 0.00 0.00 176.35 174.65 2wdh s VAL 72 N -0.79 -0.02 -0.00 1.68 1.01 -1.14 0.42 120.40 121.55 2wdh s VAL 72 Ca -0.05 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2wdh s VAL 72 Cb -0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2wdh s VAL 72 CO 0.00 0.03 -0.14 -1.81 0.00 0.00 0.00 175.10 173.18 2wdh s ASP 73 N 0.99 1.67 -0.01 3.32 1.01 -1.25 -2.87 116.67 119.53 2wdh s ASP 73 Ca -0.07 -0.29 -0.01 0.00 0.71 0.00 0.00 52.55 52.90 2wdh s ASP 73 Cb -0.07 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 2wdh s ASP 73 CO -0.08 0.16 0.10 0.27 0.21 0.00 0.00 175.17 175.83 2wdh s ILE 74 N -0.41 4.87 -0.16 0.77 -4.36 -1.16 0.28 121.20 121.04 2wdh s ILE 74 Ca 0.05 -0.35 -0.10 0.00 -0.26 0.00 0.00 60.65 59.99 2wdh s ILE 74 Cb -0.06 -3.23 -0.23 0.00 1.25 0.00 0.00 42.46 40.19 2wdh s ILE 74 CO -0.00 0.35 0.25 2.30 0.24 0.00 0.00 174.94 178.08 2wdh n ILE 75 N 1.16 1.68 -3.50 8.37 -5.35 0.21 0.75 119.36 122.69 2wdh n ILE 75 Ca -0.13 -0.47 -0.41 0.00 -0.27 0.00 0.00 62.75 61.47 2wdh n ILE 75 Cb 0.53 -1.80 -0.10 0.00 -1.74 0.00 0.00 39.64 36.53 2wdh n ILE 75 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2wdh s ASN 76 N -6.98 6.08 -1.13 7.28 2.47 -1.26 -2.29 114.94 119.12 2wdh s ASN 76 Ca -0.26 -0.53 -0.12 0.00 0.42 0.00 0.00 52.86 52.38 2wdh s ASN 76 Cb 0.07 -2.15 0.22 0.00 -1.45 0.00 0.00 41.25 37.94 2wdh s ASN 76 CO 0.70 -0.30 1.23 -2.16 -3.72 0.00 0.00 177.10 172.85 2wdh s PRO 77 N 1.74 4.09 0.39 0.43 0.04 -1.26 -4.32 135.00 136.11 2wdh s PRO 77 Ca 0.06 -2.81 0.08 0.00 0.04 0.00 0.00 61.00 58.37 2wdh s PRO 77 Cb -0.18 -4.79 -0.04 0.00 0.04 0.00 0.00 34.50 29.53 2wdh s PRO 77 CO 0.11 -1.50 0.24 0.54 0.04 0.00 0.00 177.00 176.42 2wdh s ASN 78 N 2.16 4.72 0.58 6.66 4.22 -1.26 -5.01 114.94 127.01 2wdh s ASN 78 Ca 0.35 -0.88 0.36 0.00 -2.14 0.00 0.00 52.86 50.55 2wdh s ASN 78 Cb -0.07 -0.59 1.72 0.00 1.28 0.00 0.00 41.25 43.60 2wdh s ASN 78 CO -0.05 -0.51 2.13 0.03 -2.04 0.00 0.00 177.10 176.67 2wdh h ARG 79 N 1.33 0.00 -0.46 3.55 2.47 -1.95 -2.05 114.38 117.26 2wdh h ARG 79 Ca -0.43 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.24 2wdh h ARG 79 Cb 1.26 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.56 2wdh h ARG 79 CO 0.64 0.04 0.06 -0.22 0.56 0.00 0.00 179.97 181.05 2wdh h LYS 80 N 0.00 0.77 0.12 0.04 3.11 -1.97 -3.08 116.57 115.57 2wdh h LYS 80 Ca -0.00 -0.21 -0.01 0.00 -2.81 0.00 0.00 60.65 57.62 2wdh h LYS 80 Cb 0.31 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2wdh h LYS 80 CO 0.00 0.79 -0.06 1.79 -2.81 0.00 0.00 179.45 179.17 2wdh h THR 81 N 0.64 0.96 -0.39 1.00 1.35 -1.55 -3.25 112.91 111.67 2wdh h THR 81 Ca 0.14 -1.27 0.11 0.00 -0.55 0.00 0.00 66.41 64.85 2wdh h THR 81 Cb 0.40 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 2wdh h THR 81 CO 0.01 0.26 1.03 0.40 -0.25 0.00 0.00 175.52 176.97 2wdh h ILE 82 N -0.85 0.01 0.11 6.82 1.08 -1.41 -0.76 117.51 122.52 2wdh h ILE 82 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 2wdh h ILE 82 Cb 0.55 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 2wdh h ILE 82 CO 0.03 0.00 -0.05 -0.08 -0.69 0.00 0.00 178.15 177.35 2wdh h GLU 83 N 0.00 -0.14 -0.35 2.37 4.81 -1.56 -2.37 114.58 117.33 2wdh h GLU 83 Ca 0.19 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2wdh h GLU 83 Cb 2.23 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.65 2wdh h GLU 83 CO -0.00 -0.10 0.00 1.04 -0.73 0.00 0.00 179.01 179.22 2wdh n GLN 84 N -4.45 0.13 0.00 1.92 3.00 -0.29 -1.85 117.38 115.84 2wdh n GLN 84 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2wdh n GLN 84 Cb 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 30.24 29.19 2wdh n GLN 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2wdh n LEU 85 N 0.50 0.02 0.04 1.08 4.77 -1.22 -4.09 117.00 118.09 2wdh n LEU 85 Ca 0.00 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 2wdh n LEU 85 Cb 0.04 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.22 2wdh n LEU 85 CO 0.00 -0.51 0.57 0.80 -1.33 0.00 0.00 177.39 176.92 2wdh n MET 86 N -2.54 0.02 0.00 3.23 1.56 -0.89 -3.59 117.12 114.91 2wdh n MET 86 Ca 0.00 0.41 0.00 0.00 -0.27 0.00 0.00 57.70 57.84 2wdh n MET 86 Cb 0.00 -1.73 0.00 0.00 2.15 0.00 0.00 33.22 33.64 2wdh n MET 86 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2wdh n THR 87 N -1.53 0.08 -1.53 1.12 -2.24 -0.77 -4.96 114.28 104.44 2wdh n THR 87 Ca -0.00 0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 2wdh n THR 87 Cb 0.16 -0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 67.30 2wdh n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2wdh n LEU 88 N -2.56 1.15 -4.37 3.22 7.94 -1.24 -4.89 117.00 116.25 2wdh n LEU 88 Ca 0.00 -2.03 -0.34 0.00 -1.11 0.00 0.00 56.01 52.52 2wdh n LEU 88 Cb 0.00 -1.60 -0.14 0.00 0.53 0.00 0.00 43.42 42.22 2wdh n LEU 88 CO 0.00 -3.15 -0.39 -1.81 -1.11 0.00 0.00 177.39 170.93 2wdh s ASP 89 N 8.44 4.38 -0.30 1.96 1.01 -1.26 -4.55 116.67 126.35 2wdh s ASP 89 Ca 0.82 -0.31 0.19 0.00 0.71 0.00 0.00 52.55 53.96 2wdh s ASP 89 Cb -0.10 -1.73 0.48 0.00 1.01 0.00 0.00 42.92 42.58 2wdh s ASP 89 CO 0.16 0.07 1.05 0.18 0.21 0.00 0.00 175.17 176.83 2wdh n LEU 90 N 4.20 1.93 -4.42 1.23 4.32 -1.26 -5.05 117.00 117.94 2wdh n LEU 90 Ca -0.18 -3.55 -0.45 0.00 -0.02 0.00 0.00 56.01 51.82 2wdh n LEU 90 Cb 0.52 0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 42.64 2wdh n LEU 90 CO 0.30 1.39 0.90 -2.16 -1.22 0.00 0.00 177.39 176.61 2wdh s PRO 91 N -3.50 3.67 0.31 3.23 0.04 -1.26 -4.91 135.00 132.59 2wdh s PRO 91 Ca 0.30 -2.03 0.06 0.00 0.04 0.00 0.00 61.00 59.37 2wdh s PRO 91 Cb 0.39 -4.82 0.88 0.00 0.04 0.00 0.00 34.50 30.98 2wdh s PRO 91 CO -0.01 -1.66 1.61 0.00 0.04 0.00 0.00 177.00 176.98 2wdh h THR 92 N 5.43 0.15 0.00 1.26 1.03 -1.97 -3.24 112.91 115.57 2wdh h THR 92 Ca 0.16 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.53 2wdh h THR 92 Cb 1.01 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.12 2wdh h THR 92 CO 1.04 0.02 0.00 0.61 -0.01 0.00 0.00 175.52 177.18 2wdh n GLY 93 N -1.39 0.52 3.84 2.99 0.00 -1.26 -5.13 105.19 104.76 2wdh n GLY 93 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2wdh n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdh s VAL 94 N 0.00 3.35 0.22 1.61 1.01 -1.23 -4.63 120.40 120.73 2wdh s VAL 94 Ca 0.00 0.44 0.10 0.00 0.00 0.00 0.00 61.98 62.52 2wdh s VAL 94 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2wdh s VAL 94 CO 0.00 -0.57 -0.13 -0.70 0.00 0.00 0.00 175.10 173.70 2wdh s GLU 95 N -5.24 1.93 -0.11 2.72 2.56 -1.16 -4.81 118.70 114.60 2wdh s GLU 95 Ca 0.59 -1.46 -0.08 0.00 0.00 0.00 0.00 54.97 54.02 2wdh s GLU 95 Cb -0.13 -2.02 0.03 0.00 2.00 0.00 0.00 34.13 34.02 2wdh s GLU 95 CO 0.53 0.39 0.27 0.96 -0.56 0.00 0.00 175.26 176.85 2wdh s ILE 96 N -2.01 -0.01 0.03 -3.70 -0.00 -1.26 -3.00 121.20 111.26 2wdh s ILE 96 Ca 0.27 0.05 0.03 0.00 -0.00 0.00 0.00 60.65 60.99 2wdh s ILE 96 Cb -0.07 -0.40 -0.02 0.00 -0.00 0.00 0.00 42.46 41.97 2wdh s ILE 96 CO 0.15 0.02 -0.09 -1.61 -0.00 0.00 0.00 174.94 173.41 2wdh s GLU 97 N 0.54 0.59 -0.13 0.37 0.41 0.14 -4.93 118.70 115.69 2wdh s GLU 97 Ca -0.03 -0.65 -0.01 0.00 -0.41 0.00 0.00 54.97 53.87 2wdh s GLU 97 Cb -0.05 -0.46 0.03 0.00 -1.78 0.00 0.00 34.13 31.88 2wdh s GLU 97 CO -0.03 0.10 -0.05 0.42 -0.49 0.00 0.00 175.26 175.22 2wdh s ILE 98 N -1.02 0.90 0.21 -1.63 1.09 -1.25 -0.38 121.20 119.11 2wdh s ILE 98 Ca -0.05 -0.35 0.08 0.00 -1.10 0.00 0.00 60.65 59.23 2wdh s ILE 98 Cb -0.08 -1.03 -0.05 0.00 -1.06 0.00 0.00 42.46 40.24 2wdh s ILE 98 CO 0.01 0.22 -0.15 -0.54 -0.10 0.00 0.00 174.94 174.38 2wdh s LYS 99 N 1.74 1.35 0.22 2.79 -0.14 0.21 -4.94 119.74 120.97 2wdh s LYS 99 Ca 0.03 -1.59 -0.12 0.00 -1.36 0.00 0.00 55.97 52.93 2wdh s LYS 99 Cb -0.14 -1.16 -0.01 0.00 -1.68 0.00 0.00 37.83 34.85 2wdh s LYS 99 CO -0.07 0.20 0.42 0.95 -0.76 0.00 0.00 175.35 176.08 2wdh s THR 100 N -2.92 0.01 0.00 2.17 -4.23 -1.26 0.19 115.64 109.60 2wdh s THR 100 Ca 0.23 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 2wdh s THR 100 Cb -0.01 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2wdh s THR 100 CO 0.07 -0.06 0.00 1.33 -0.54 0.00 0.00 174.62 175.42