#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s LYS 2 N 0.00 0.56 -1.38 2.12 3.01 -1.26 -5.05 119.74 117.74 2wdi s LYS 2 Ca 0.00 -0.08 -0.12 0.00 -1.01 0.00 0.00 55.97 54.76 2wdi s LYS 2 Cb 0.00 -0.22 0.10 0.00 -1.01 0.00 0.00 37.83 36.69 2wdi s LYS 2 CO 0.00 -1.10 2.08 2.41 0.51 0.00 0.00 175.35 179.24 2wdi n THR 3 N 4.96 3.84 0.00 2.17 -1.04 -1.26 -4.77 114.28 118.18 2wdi n THR 3 Ca 0.05 -3.62 0.00 0.00 -2.04 0.00 0.00 64.05 58.45 2wdi n THR 3 Cb 0.51 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.52 2wdi n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdi n TYR 4 N 5.12 0.00 -1.53 -1.42 0.18 -1.26 -4.81 117.16 113.45 2wdi n TYR 4 Ca 0.47 0.00 -0.47 0.00 1.88 0.00 0.00 57.90 59.77 2wdi n TYR 4 Cb 0.38 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.31 2wdi n TYR 4 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 2wdi n VAL 5 N -0.42 1.61 -1.13 -3.48 3.14 -1.26 -5.00 118.33 111.79 2wdi n VAL 5 Ca 0.00 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 2wdi n VAL 5 Cb 0.00 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.16 2wdi n VAL 5 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2wdi n PRO 6 N 1.11 1.08 -4.09 1.45 -0.04 -1.26 -5.13 135.00 128.12 2wdi n PRO 6 Ca 0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 2wdi n PRO 6 Cb 0.27 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.62 2wdi n PRO 6 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wdi s LYS 7 N -0.62 0.62 -0.58 0.54 1.02 -1.26 -5.04 119.74 114.41 2wdi s LYS 7 Ca 0.00 -1.10 -0.12 0.00 0.02 0.00 0.00 55.97 54.77 2wdi s LYS 7 Cb 0.00 0.02 -0.16 0.00 -0.52 0.00 0.00 37.83 37.17 2wdi s LYS 7 CO 0.00 -0.06 1.43 1.04 -0.92 0.00 0.00 175.35 176.85 2wdi n GLN 8 N 0.47 0.00 -0.86 1.68 6.02 -1.26 -4.87 117.38 118.56 2wdi n GLN 8 Ca -0.16 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.58 2wdi n GLN 8 Cb 0.59 -0.74 0.21 0.00 1.02 0.00 0.00 30.24 31.32 2wdi n GLN 8 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wdi n VAL 9 N 3.85 0.00 -4.48 5.09 0.31 -1.26 -5.06 118.33 116.78 2wdi n VAL 9 Ca 0.39 -0.40 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2wdi n VAL 9 Cb 0.05 -1.19 -0.16 0.00 -0.91 0.00 0.00 33.84 31.62 2wdi n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wdi s GLU 10 N -5.06 2.82 -0.46 5.55 2.56 -1.26 -5.07 118.70 117.78 2wdi s GLU 10 Ca 0.59 -0.78 -0.44 0.00 0.00 0.00 0.00 54.97 54.34 2wdi s GLU 10 Cb -0.06 -2.34 -0.18 0.00 2.00 0.00 0.00 34.13 33.55 2wdi s GLU 10 CO 0.45 -0.08 1.92 -0.35 -0.56 0.00 0.00 175.26 176.65 2wdi n PRO 11 N 4.25 0.24 -3.21 4.30 -0.04 -1.26 -4.90 135.00 134.38 2wdi n PRO 11 Ca -0.20 0.08 -0.45 0.00 -0.04 0.00 0.00 63.50 62.89 2wdi n PRO 11 Cb 0.51 -1.67 -0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2wdi n PRO 11 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2wdi s ARG 12 N 4.77 4.13 0.73 0.54 6.06 -1.26 -4.91 118.95 129.01 2wdi s ARG 12 Ca 1.12 -2.96 -0.16 0.00 -2.50 0.00 0.00 55.73 51.23 2wdi s ARG 12 Cb -1.38 -4.71 -0.01 0.00 0.06 0.00 0.00 34.95 28.91 2wdi s ARG 12 CO 0.69 -1.41 0.78 0.91 -2.50 0.00 0.00 175.30 173.78 2wdi n TRP 13 N 3.73 0.04 -3.85 5.12 7.02 -1.26 -3.69 117.44 124.55 2wdi n TRP 13 Ca 0.27 0.37 -0.12 0.00 -1.02 0.00 0.00 57.50 57.01 2wdi n TRP 13 Cb 0.41 -2.01 -0.11 0.00 -2.42 0.00 0.00 31.31 27.18 2wdi n TRP 13 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 2wdi s VAL 14 N -1.89 0.05 0.17 -0.99 1.01 -0.76 -3.71 120.40 114.29 2wdi s VAL 14 Ca 0.70 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.31 2wdi s VAL 14 Cb -0.34 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2wdi s VAL 14 CO 0.54 -0.24 -0.02 -0.22 0.00 0.00 0.00 175.10 175.15 2wdi s LEU 15 N -0.86 3.24 -0.29 3.92 1.98 -1.10 -0.98 118.68 124.59 2wdi s LEU 15 Ca -0.09 -0.43 -0.22 0.00 -2.89 0.00 0.00 54.13 50.49 2wdi s LEU 15 Cb -0.05 -1.90 0.17 0.00 0.66 0.00 0.00 46.19 45.07 2wdi s LEU 15 CO 0.01 0.09 1.23 -0.51 -1.89 0.00 0.00 176.35 175.29 2wdi s ILE 16 N -1.71 0.00 -0.46 6.68 2.07 -0.99 -1.53 121.20 125.26 2wdi s ILE 16 Ca 0.27 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.57 2wdi s ILE 16 Cb -0.09 -1.00 0.23 0.00 0.13 0.00 0.00 42.46 41.73 2wdi s ILE 16 CO 0.18 0.00 0.73 -0.67 -1.91 0.00 0.00 174.94 173.26 2wdi n ASP 17 N 2.35 -1.97 -2.03 4.50 4.64 -1.26 -1.63 116.55 121.16 2wdi n ASP 17 Ca -0.13 -3.02 -0.11 0.00 -1.38 0.00 0.00 54.79 50.15 2wdi n ASP 17 Cb 0.57 0.97 -0.16 0.00 -1.04 0.00 0.00 41.12 41.46 2wdi n ASP 17 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wdi n ALA 18 N 1.85 6.07 -0.58 -1.67 0.00 -1.26 -4.51 120.51 120.41 2wdi n ALA 18 Ca 0.15 -1.73 0.46 0.00 0.00 0.00 0.00 53.44 52.33 2wdi n ALA 18 Cb 0.58 -2.32 0.77 0.00 0.00 0.00 0.00 19.45 18.49 2wdi n ALA 18 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wdi h GLU 19 N 3.17 0.02 -0.63 0.00 4.11 -1.87 2.72 114.58 122.11 2wdi h GLU 19 Ca 0.18 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2wdi h GLU 19 Cb 1.43 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 2wdi h GLU 19 CO 0.25 0.01 0.00 0.41 0.07 0.00 0.00 179.01 179.75 2wdi n GLY 20 N -1.80 2.74 3.59 1.06 0.00 -1.26 -1.32 105.19 108.19 2wdi n GLY 20 Ca 0.40 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2wdi n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdi s LYS 21 N -2.40 2.14 0.60 1.61 2.20 0.91 -4.52 119.74 120.29 2wdi s LYS 21 Ca 0.48 -1.12 -0.19 0.00 -0.36 0.00 0.00 55.97 54.78 2wdi s LYS 21 Cb 0.36 -2.26 -0.03 0.00 -1.51 0.00 0.00 37.83 34.38 2wdi s LYS 21 CO 0.16 0.47 1.26 0.99 -0.36 0.00 0.00 175.35 177.88 2wdi s THR 22 N -1.46 2.33 0.40 3.43 2.01 -1.25 -1.57 115.64 119.52 2wdi s THR 22 Ca 0.23 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.44 2wdi s THR 22 Cb -0.10 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 2wdi s THR 22 CO 0.15 -0.04 0.63 -1.48 -0.69 0.00 0.00 174.62 173.19 2wdi s LEU 23 N -4.09 3.83 0.00 4.42 2.34 -1.20 -2.36 118.68 121.62 2wdi s LEU 23 Ca 0.78 0.49 0.00 0.00 0.06 0.00 0.00 54.13 55.46 2wdi s LEU 23 Cb -0.35 -3.37 0.00 0.00 -0.56 0.00 0.00 46.19 41.92 2wdi s LEU 23 CO 0.38 -0.47 0.00 0.61 -1.06 0.00 0.00 176.35 175.80 2wdi n GLY 24 N -1.96 1.60 0.29 -3.48 0.00 -1.26 -4.15 105.19 96.22 2wdi n GLY 24 Ca -0.02 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.11 2wdi n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wdi h ARG 25 N 0.00 0.00 0.00 1.61 2.47 -1.98 0.46 114.38 116.94 2wdi h ARG 25 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2wdi h ARG 25 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2wdi h ARG 25 CO 0.00 0.05 -0.87 -0.11 0.56 0.00 0.00 179.97 179.60 2wdi n LEU 26 N -3.25 1.71 0.30 3.04 7.94 -1.00 -4.42 117.00 121.32 2wdi n LEU 26 Ca -0.01 0.30 0.14 0.00 -1.11 0.00 0.00 56.01 55.33 2wdi n LEU 26 Cb 0.23 -0.72 0.71 0.00 0.53 0.00 0.00 43.42 44.18 2wdi n LEU 26 CO 0.26 -0.30 1.12 0.00 -1.11 0.00 0.00 177.39 177.36 2wdi h ALA 27 N -1.12 1.53 -0.08 1.96 0.00 -1.81 0.36 119.26 120.11 2wdi h ALA 27 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2wdi h ALA 27 Cb 0.87 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2wdi h ALA 27 CO 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 179.25 178.84 2wdi h THR 28 N 0.00 0.81 0.00 0.00 1.03 -0.27 0.17 112.91 114.65 2wdi h THR 28 Ca 0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 66.08 2wdi h THR 28 Cb 0.91 0.95 -0.07 0.00 -1.07 0.00 0.00 68.15 68.87 2wdi h THR 28 CO -0.00 0.00 -2.33 0.29 -0.01 0.00 0.00 175.52 173.47 2wdi n LYS 29 N -4.29 0.80 0.33 0.00 5.02 0.12 -3.36 118.16 116.78 2wdi n LYS 29 Ca -0.01 0.04 0.22 0.00 -2.02 0.00 0.00 58.31 56.54 2wdi n LYS 29 Cb 0.17 -1.49 1.16 0.00 -0.02 0.00 0.00 35.03 34.85 2wdi n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2wdi h ILE 30 N 0.00 0.00 0.00 -0.18 2.04 -0.84 0.32 117.51 118.85 2wdi h ILE 30 Ca -0.52 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2wdi h ILE 30 Cb 2.06 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2wdi h ILE 30 CO -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 177.98 2wdi h ALA 31 N 1.93 0.01 -0.73 1.87 0.00 -0.81 -2.84 119.26 118.68 2wdi h ALA 31 Ca 0.00 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.88 2wdi h ALA 31 Cb 0.07 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 2wdi h ALA 31 CO 0.00 0.15 0.16 1.15 0.00 0.00 0.00 179.25 180.71 2wdi h THR 32 N -1.00 0.51 -0.26 0.00 2.02 -1.26 0.40 112.91 113.31 2wdi h THR 32 Ca -0.01 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 2wdi h THR 32 Cb 0.22 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2wdi h THR 32 CO -0.00 0.05 -0.27 -0.07 0.37 0.00 0.00 175.52 175.59 2wdi h LEU 33 N 0.25 0.52 -1.00 2.58 4.07 -0.59 -2.73 115.31 118.42 2wdi h LEU 33 Ca 0.41 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 58.20 2wdi h LEU 33 Cb 0.70 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 42.24 2wdi h LEU 33 CO -0.51 0.78 0.66 0.25 -1.08 0.00 0.00 178.44 178.54 2wdi h LEU 34 N 0.45 1.13 0.00 1.67 5.85 -0.01 -2.04 115.31 122.36 2wdi h LEU 34 Ca 0.06 -0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 2wdi h LEU 34 Cb 0.71 -0.27 0.07 0.00 0.37 0.00 0.00 40.66 41.54 2wdi h LEU 34 CO 0.05 0.80 0.15 0.54 -0.34 0.00 0.00 178.44 179.64 2wdi n ARG 35 N -4.41 -0.27 -2.18 1.25 1.74 -0.34 -3.95 116.66 108.51 2wdi n ARG 35 Ca 0.13 -1.29 -0.39 0.00 -0.77 0.00 0.00 57.85 55.53 2wdi n ARG 35 Cb 0.04 -0.56 0.03 0.00 -1.02 0.00 0.00 32.46 30.95 2wdi n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdi n GLY 36 N 0.55 5.73 0.11 -0.13 0.00 -1.25 -3.93 105.19 106.27 2wdi n GLY 36 Ca 0.09 -2.53 0.12 0.00 0.00 0.00 0.00 46.02 43.70 2wdi n GLY 36 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdi h LYS 37 N 3.31 0.00 0.00 1.61 1.63 -1.84 -3.36 116.57 117.93 2wdi h LYS 37 Ca 0.53 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 60.02 2wdi h LYS 37 Cb 0.17 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 2wdi h LYS 37 CO 1.32 0.00 -2.33 -2.39 -3.45 0.00 0.00 179.45 172.60 2wdi n HIS 38 N -2.52 0.01 -3.36 1.91 1.44 -1.26 -4.91 115.22 106.54 2wdi n HIS 38 Ca 0.02 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.36 2wdi n HIS 38 Cb 0.50 -0.94 -0.06 0.00 0.12 0.00 0.00 29.99 29.61 2wdi n HIS 38 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2wdi s ARG 39 N -2.63 4.30 0.00 -1.40 1.04 -1.26 -4.97 118.95 114.03 2wdi s ARG 39 Ca -0.10 0.39 0.00 0.00 -1.04 0.00 0.00 55.73 54.99 2wdi s ARG 39 Cb 0.07 -3.42 0.00 0.00 -2.04 0.00 0.00 34.95 29.56 2wdi s ARG 39 CO 0.84 0.20 0.00 -0.35 -0.04 0.00 0.00 175.30 175.96 2wdi n PRO 40 N 3.54 0.00 0.05 3.89 -0.04 -1.26 -2.83 135.00 138.35 2wdi n PRO 40 Ca -0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 2wdi n PRO 40 Cb 0.52 -0.99 -0.14 0.00 -0.04 0.00 0.00 33.50 32.85 2wdi n PRO 40 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wdi h ASP 41 N 0.05 0.32 -0.18 3.54 5.19 -1.93 -3.49 116.42 119.91 2wdi h ASP 41 Ca 0.00 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2wdi h ASP 41 Cb 0.00 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.41 2wdi h ASP 41 CO 0.00 1.38 0.00 1.87 -3.12 0.00 0.00 179.24 179.37 2wdi n TRP 42 N -3.40 0.00 -3.62 4.55 -0.00 -1.13 -4.76 117.44 109.08 2wdi n TRP 42 Ca -0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.07 2wdi n TRP 42 Cb 1.04 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 32.24 2wdi n TRP 42 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 2wdi n THR 43 N 0.62 1.28 0.00 5.87 -1.04 -1.26 -4.97 114.28 114.78 2wdi n THR 43 Ca 0.00 -4.71 0.00 0.00 -2.04 0.00 0.00 64.05 57.30 2wdi n THR 43 Cb 0.00 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.44 2wdi n THR 43 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wdi n PRO 44 N 1.67 0.00 -0.46 -2.82 -0.04 -1.26 -0.87 135.00 131.22 2wdi n PRO 44 Ca 0.25 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 2wdi n PRO 44 Cb 0.40 -0.96 0.05 0.00 -0.04 0.00 0.00 33.50 32.95 2wdi n PRO 44 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2wdi n ASN 45 N -0.13 0.77 0.00 3.54 0.23 -1.26 -4.88 115.26 113.53 2wdi n ASN 45 Ca 0.00 -2.36 0.00 0.00 -0.53 0.00 0.00 54.58 51.69 2wdi n ASN 45 Cb 0.00 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 2wdi n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2wdi n VAL 46 N -0.39 0.00 -1.30 3.53 3.14 -0.05 -5.09 118.33 118.17 2wdi n VAL 46 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2wdi n VAL 46 Cb 0.72 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 2wdi n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wdi n ALA 47 N -0.70 -0.44 -3.23 1.55 0.00 -1.25 -4.99 120.51 111.44 2wdi n ALA 47 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2wdi n ALA 47 Cb 0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 2wdi n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi n MET 48 N -1.29 3.76 -4.37 0.00 0.00 -1.26 -4.98 117.12 108.98 2wdi n MET 48 Ca 0.00 -4.54 -0.18 0.00 0.00 0.00 0.00 57.70 52.98 2wdi n MET 48 Cb 0.43 -2.48 -0.10 0.00 0.00 0.00 0.00 33.22 31.07 2wdi n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2wdi s GLY 49 N -0.83 1.71 0.14 3.17 0.00 -1.26 -3.82 107.32 106.43 2wdi s GLY 49 Ca 0.32 -1.85 -0.30 0.00 0.00 0.00 0.00 44.72 42.88 2wdi s GLY 49 CO 0.01 -1.71 1.24 0.99 0.00 0.00 0.00 173.10 173.63 2wdi s ASP 50 N -3.36 7.02 -0.60 1.64 1.01 -0.77 -4.55 116.67 117.07 2wdi s ASP 50 Ca 0.31 2.20 -0.28 0.00 0.71 0.00 0.00 52.55 55.49 2wdi s ASP 50 Cb 0.06 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.41 2wdi s ASP 50 CO 0.11 -0.46 1.39 -0.36 0.21 0.00 0.00 175.17 176.06 2wdi s PHE 51 N 0.48 2.28 -0.16 4.23 0.40 -1.24 -4.27 117.98 119.70 2wdi s PHE 51 Ca 0.57 0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 57.11 2wdi s PHE 51 Cb -0.33 -4.43 -0.04 0.00 0.51 0.00 0.00 43.02 38.74 2wdi s PHE 51 CO 0.33 -1.97 0.49 0.08 0.70 0.00 0.00 175.22 174.86 2wdi s VAL 52 N 6.07 5.15 -0.31 -0.44 1.01 -0.83 -1.82 120.40 129.23 2wdi s VAL 52 Ca 0.49 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 2wdi s VAL 52 Cb -0.10 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.52 2wdi s VAL 52 CO 0.23 0.25 0.01 -0.69 0.00 0.00 0.00 175.10 174.90 2wdi s VAL 53 N 1.12 2.86 -0.10 2.92 1.01 -0.16 -1.80 120.40 126.26 2wdi s VAL 53 Ca 0.25 -1.55 -0.13 0.00 0.00 0.00 0.00 61.98 60.55 2wdi s VAL 53 Cb -0.15 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2wdi s VAL 53 CO 0.10 -0.19 0.30 -0.69 0.00 0.00 0.00 175.10 174.62 2wdi s VAL 54 N 1.20 5.27 0.36 2.92 1.01 -0.74 -2.34 120.40 128.08 2wdi s VAL 54 Ca -0.03 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.59 2wdi s VAL 54 Cb -0.20 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2wdi s VAL 54 CO -0.02 0.50 0.08 0.54 0.00 0.00 0.00 175.10 176.19 2wdi s VAL 55 N -0.33 2.58 -0.69 2.92 0.11 -0.65 -1.50 120.40 122.85 2wdi s VAL 55 Ca 0.18 -1.85 -0.15 0.00 -2.93 0.00 0.00 61.98 57.23 2wdi s VAL 55 Cb -0.14 -2.89 0.02 0.00 -1.53 0.00 0.00 36.38 31.84 2wdi s VAL 55 CO 0.07 -0.13 0.63 -3.20 -3.33 0.00 0.00 175.10 169.13 2wdi n ASN 56 N -1.06 -5.04 0.00 3.54 4.05 -0.48 -4.57 115.26 111.69 2wdi n ASN 56 Ca -0.03 -0.68 0.00 0.00 0.45 0.00 0.00 54.58 54.32 2wdi n ASN 56 Cb 0.63 -1.59 0.00 0.00 1.23 0.00 0.00 39.78 40.05 2wdi n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wdi n ALA 57 N -1.72 0.00 0.00 5.20 0.00 0.84 -4.54 120.51 120.29 2wdi n ALA 57 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2wdi n ALA 57 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 2wdi n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdi n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.29 116.55 116.75 2wdi n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2wdi n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wdi n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wdi n LYS 59 N 0.00 0.00 -0.72 0.11 4.76 -1.26 -4.79 118.16 116.27 2wdi n LYS 59 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 2wdi n LYS 59 Cb 0.00 -0.58 -0.04 0.00 -1.84 0.00 0.00 35.03 32.57 2wdi n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wdi n ILE 60 N 0.00 0.00 -1.72 -0.18 5.41 -0.44 -4.70 119.36 117.73 2wdi n ILE 60 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 2wdi n ILE 60 Cb 0.00 -0.19 0.05 0.00 -0.71 0.00 0.00 39.64 38.79 2wdi n ILE 60 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2wdi s ARG 61 N 1.13 2.79 -0.24 0.38 1.81 -0.61 -4.90 118.95 119.32 2wdi s ARG 61 Ca 0.43 1.33 -0.06 0.00 -1.72 0.00 0.00 55.73 55.71 2wdi s ARG 61 Cb -0.61 -1.95 0.12 0.00 -0.45 0.00 0.00 34.95 32.05 2wdi s ARG 61 CO 0.33 -1.25 0.48 0.54 -0.68 0.00 0.00 175.30 174.73 2wdi s VAL 62 N -2.43 -0.75 0.59 3.52 0.11 -1.26 -3.21 120.40 116.95 2wdi s VAL 62 Ca 0.66 0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.69 2wdi s VAL 62 Cb -0.19 -0.79 0.15 0.00 -1.53 0.00 0.00 36.38 34.01 2wdi s VAL 62 CO 0.43 0.02 0.34 0.41 -3.33 0.00 0.00 175.10 172.97 2wdi n THR 63 N 5.40 0.00 0.00 5.04 -1.04 -1.26 -4.73 114.28 117.69 2wdi n THR 63 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2wdi n THR 63 Cb 0.50 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 2wdi n THR 63 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdi n GLY 64 N -2.26 0.49 1.50 3.41 0.00 -1.26 -2.48 105.19 104.60 2wdi n GLY 64 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2wdi n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdi n LYS 65 N 3.97 3.40 0.00 1.61 4.01 -1.26 -4.68 118.16 125.22 2wdi n LYS 65 Ca 0.00 -2.13 0.00 0.00 -0.51 0.00 0.00 58.31 55.67 2wdi n LYS 65 Cb 0.00 -1.99 0.00 0.00 -0.51 0.00 0.00 35.03 32.53 2wdi n LYS 65 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2wdi n LYS 66 N 0.28 0.00 -4.72 1.97 5.02 -1.03 -2.43 118.16 117.24 2wdi n LYS 66 Ca 0.22 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.18 2wdi n LYS 66 Cb 0.95 -1.17 -0.16 0.00 -0.02 0.00 0.00 35.03 34.64 2wdi n LYS 66 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wdi s LEU 67 N -0.99 2.34 0.00 -0.35 1.02 -1.26 -4.10 118.68 115.33 2wdi s LEU 67 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.65 2wdi s LEU 67 Cb 0.00 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.70 2wdi s LEU 67 CO 0.00 0.11 0.00 -0.62 0.02 0.00 0.00 176.35 175.86 2wdi n GLU 68 N 3.90 0.00 0.00 1.70 -0.58 -1.26 -4.60 120.64 119.80 2wdi n GLU 68 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2wdi n GLU 68 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 2wdi n GLU 68 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wdi n GLN 69 N 0.00 0.75 -4.66 3.49 6.02 -1.02 -4.54 117.38 117.42 2wdi n GLN 69 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2wdi n GLN 69 Cb 0.00 -1.08 -0.17 0.00 1.02 0.00 0.00 30.24 30.02 2wdi n GLN 69 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2wdi s LYS 70 N -1.80 2.80 -0.04 -1.09 2.47 -1.26 -4.85 119.74 115.98 2wdi s LYS 70 Ca 0.00 -0.78 0.02 0.00 -1.56 0.00 0.00 55.97 53.65 2wdi s LYS 70 Cb 0.00 -2.27 0.01 0.00 -1.46 0.00 0.00 37.83 34.11 2wdi s LYS 70 CO 0.00 -0.01 -0.08 0.42 0.16 0.00 0.00 175.35 175.84 2wdi s ILE 71 N 0.82 0.76 0.04 5.43 1.01 -1.26 -1.41 121.20 126.60 2wdi s ILE 71 Ca -0.08 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 2wdi s ILE 71 Cb -0.16 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.56 2wdi s ILE 71 CO -0.01 0.25 0.40 -0.31 0.00 0.00 0.00 174.94 175.27 2wdi s TYR 72 N 0.43 3.64 -0.08 3.97 1.51 0.42 -4.91 117.35 122.33 2wdi s TYR 72 Ca -0.07 0.87 0.02 0.00 -1.01 0.00 0.00 57.07 56.88 2wdi s TYR 72 Cb -0.11 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.54 2wdi s TYR 72 CO 0.01 0.57 -0.13 0.99 -1.11 0.00 0.00 175.55 175.88 2wdi s THR 73 N -1.26 1.24 0.04 -0.71 2.01 -1.26 -0.78 115.64 114.91 2wdi s THR 73 Ca 0.29 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.85 2wdi s THR 73 Cb -0.15 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 2wdi s THR 73 CO 0.16 0.38 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.15 2wdi s ARG 74 N 0.88 1.27 -0.27 4.92 0.52 -0.30 -5.00 118.95 120.96 2wdi s ARG 74 Ca -0.10 -0.87 -0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2wdi s ARG 74 Cb -0.15 -1.35 0.08 0.00 0.52 0.00 0.00 34.95 34.05 2wdi s ARG 74 CO 0.01 0.34 0.03 -0.47 0.02 0.00 0.00 175.30 175.24 2wdi s TYR 75 N -0.78 2.08 0.81 -0.53 5.04 -1.26 0.44 117.35 123.14 2wdi s TYR 75 Ca 0.06 -1.76 -0.11 0.00 -2.44 0.00 0.00 57.07 52.82 2wdi s TYR 75 Cb -0.08 -1.72 0.08 0.00 0.35 0.00 0.00 41.96 40.59 2wdi s TYR 75 CO 0.01 -0.81 1.12 -1.54 -1.34 0.00 0.00 175.55 172.99 2wdi s SER 76 N 1.49 4.00 0.00 4.32 1.04 -0.15 -4.85 113.70 119.56 2wdi s SER 76 Ca 0.03 1.98 0.02 0.00 0.48 0.00 0.00 55.95 58.46 2wdi s SER 76 Cb -0.18 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.50 2wdi s SER 76 CO -0.14 -2.38 1.06 0.61 0.98 0.00 0.00 173.24 173.37 2wdi n GLY 77 N -0.64 -0.56 3.92 7.32 0.00 -1.26 -4.73 105.19 109.23 2wdi n GLY 77 Ca 0.10 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2wdi n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wdi s TYR 78 N -2.97 1.57 0.03 1.61 1.51 -1.26 -5.03 117.35 112.81 2wdi s TYR 78 Ca 0.01 0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 56.10 2wdi s TYR 78 Cb 0.02 -4.09 -0.04 0.00 -0.11 0.00 0.00 41.96 37.74 2wdi s TYR 78 CO 0.04 -2.69 1.00 -2.14 -1.11 0.00 0.00 175.55 170.65 2wdi s PRO 79 N -5.87 4.57 0.00 -1.71 0.02 -1.26 -3.30 135.00 127.45 2wdi s PRO 79 Ca 0.74 1.46 0.00 0.00 0.02 0.00 0.00 61.00 63.22 2wdi s PRO 79 Cb -0.04 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.05 2wdi s PRO 79 CO 0.53 -0.02 0.00 0.41 -0.33 0.00 0.00 177.00 177.59 2wdi n GLY 80 N 2.79 0.43 2.00 0.52 0.00 -1.26 -4.83 105.19 104.84 2wdi n GLY 80 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 2wdi n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdi n GLY 81 N -1.99 1.83 3.28 -0.02 0.00 -1.21 -4.72 105.19 102.35 2wdi n GLY 81 Ca 0.00 -0.34 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 2wdi n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdi s LEU 82 N 0.00 6.26 0.05 0.99 2.96 -1.26 -0.98 118.68 126.69 2wdi s LEU 82 Ca 0.19 -2.29 -0.30 0.00 -0.22 0.00 0.00 54.13 51.50 2wdi s LEU 82 Cb 0.09 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 2wdi s LEU 82 CO 0.00 -0.67 1.18 -0.54 -1.32 0.00 0.00 176.35 175.01 2wdi s LYS 83 N 0.80 4.44 -0.00 1.98 -0.14 0.17 -4.93 119.74 122.06 2wdi s LYS 83 Ca 0.11 1.74 0.06 0.00 -1.36 0.00 0.00 55.97 56.52 2wdi s LYS 83 Cb -0.20 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 32.55 2wdi s LYS 83 CO -0.03 -0.26 -0.19 0.15 -0.76 0.00 0.00 175.35 174.27 2wdi s LYS 84 N 1.14 2.21 -0.12 1.68 1.02 -1.26 -1.15 119.74 123.26 2wdi s LYS 84 Ca 0.58 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 55.64 2wdi s LYS 84 Cb -0.29 -2.22 0.06 0.00 -0.52 0.00 0.00 37.83 34.87 2wdi s LYS 84 CO 0.29 0.57 0.26 0.42 -0.92 0.00 0.00 175.35 175.96 2wdi s ILE 85 N -0.80 -0.31 0.34 2.17 1.01 0.04 -4.98 121.20 118.68 2wdi s ILE 85 Ca 0.13 0.25 -0.19 0.00 0.00 0.00 0.00 60.65 60.84 2wdi s ILE 85 Cb -0.10 -0.42 -0.10 0.00 0.01 0.00 0.00 42.46 41.85 2wdi s ILE 85 CO 0.02 0.10 0.82 -2.16 0.00 0.00 0.00 174.94 173.73 2wdi s PRO 86 N 2.10 4.17 0.11 2.79 0.04 -1.26 0.16 135.00 143.10 2wdi s PRO 86 Ca -0.02 0.90 -0.21 0.00 0.04 0.00 0.00 61.00 61.72 2wdi s PRO 86 Cb -0.12 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 2wdi s PRO 86 CO -0.08 0.15 1.22 -0.11 0.04 0.00 0.00 177.00 178.22 2wdi n LEU 87 N -0.18 -0.70 0.00 -3.56 0.00 -0.50 -2.35 117.00 109.70 2wdi n LEU 87 Ca 0.03 1.38 0.00 0.00 0.00 0.00 0.00 56.01 57.43 2wdi n LEU 87 Cb 0.53 -0.25 0.00 0.00 0.00 0.00 0.00 43.42 43.69 2wdi n LEU 87 CO 0.41 -1.06 0.34 -0.62 0.00 0.00 0.00 177.39 176.45 2wdi n GLU 88 N -4.56 0.00 -0.33 1.96 1.02 -1.26 0.38 120.64 117.85 2wdi n GLU 88 Ca 0.01 0.67 0.29 0.00 -0.02 0.00 0.00 57.16 58.12 2wdi n GLU 88 Cb 0.17 -1.02 0.55 0.00 -0.02 0.00 0.00 31.44 31.12 2wdi n GLU 88 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wdi h LYS 89 N 0.00 0.11 0.06 3.49 1.79 -1.86 -0.16 116.57 120.01 2wdi h LYS 89 Ca 0.00 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2wdi h LYS 89 Cb 0.00 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2wdi h LYS 89 CO 0.00 0.07 -0.05 0.52 -1.08 0.00 0.00 179.45 178.92 2wdi h MET 90 N 0.12 -0.10 -0.45 3.15 2.86 -0.04 0.24 114.93 120.70 2wdi h MET 90 Ca 0.81 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 58.50 2wdi h MET 90 Cb 2.06 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 33.68 2wdi h MET 90 CO -0.70 -0.07 -0.41 -0.07 1.06 0.00 0.00 176.91 176.72 2wdi h LEU 91 N -0.11 -1.42 -0.95 1.22 3.38 -0.87 -0.28 115.31 116.28 2wdi h LEU 91 Ca -0.01 0.20 0.14 0.00 0.09 0.00 0.00 57.88 58.30 2wdi h LEU 91 Cb 0.09 0.60 -0.15 0.00 0.09 0.00 0.00 40.66 41.29 2wdi h LEU 91 CO 0.00 -0.25 -0.38 0.00 0.09 0.00 0.00 178.44 177.91 2wdi n ALA 92 N -3.05 -0.13 -3.94 1.53 0.00 -0.19 -2.67 120.51 112.05 2wdi n ALA 92 Ca -0.01 0.94 -0.30 0.00 0.00 0.00 0.00 53.44 54.07 2wdi n ALA 92 Cb 0.22 -0.41 -0.16 0.00 0.00 0.00 0.00 19.45 19.11 2wdi n ALA 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2wdi s THR 93 N -5.88 1.53 -0.12 0.00 -1.32 0.83 -4.78 115.64 105.90 2wdi s THR 93 Ca -0.13 -1.21 -0.01 0.00 -1.21 0.00 0.00 61.69 59.13 2wdi s THR 93 Cb 0.19 -1.79 -0.01 0.00 -1.51 0.00 0.00 72.50 69.38 2wdi s THR 93 CO 0.67 -0.09 0.11 1.41 -2.21 0.00 0.00 174.62 174.51 2wdi n HIS 94 N 4.67 -0.28 0.17 9.09 8.25 -1.08 -4.35 115.22 131.69 2wdi n HIS 94 Ca -0.12 0.10 0.02 0.00 -0.26 0.00 0.00 57.72 57.46 2wdi n HIS 94 Cb 0.44 -2.67 0.31 0.00 1.12 0.00 0.00 29.99 29.18 2wdi n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2wdi h PRO 95 N -0.13 0.00 -0.02 -0.41 0.13 -1.27 -3.12 132.00 127.18 2wdi h PRO 95 Ca -0.07 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2wdi h PRO 95 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2wdi h PRO 95 CO 0.05 0.45 0.03 1.05 -0.23 0.00 0.00 178.00 179.35 2wdi h GLU 96 N 0.00 0.00 -0.36 0.86 9.09 -1.88 -2.51 114.58 119.79 2wdi h GLU 96 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 2wdi h GLU 96 Cb 0.82 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.91 2wdi h GLU 96 CO 0.06 0.00 0.12 0.00 0.05 0.00 0.00 179.01 179.24 2wdi h ARG 97 N 0.00 0.55 -1.19 1.06 3.08 -1.91 -2.53 114.38 113.43 2wdi h ARG 97 Ca 0.01 -0.11 0.38 0.00 0.07 0.00 0.00 59.98 60.32 2wdi h ARG 97 Cb 0.06 -0.08 -0.12 0.00 0.08 0.00 0.00 29.97 29.91 2wdi h ARG 97 CO -0.00 0.56 0.76 0.28 -1.07 0.00 0.00 179.97 180.49 2wdi h VAL 98 N 0.43 0.24 0.05 2.04 2.07 -1.65 0.38 116.25 119.81 2wdi h VAL 98 Ca 0.12 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.40 2wdi h VAL 98 Cb 0.23 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2wdi h VAL 98 CO -0.01 0.03 -0.88 0.25 0.02 0.00 0.00 177.57 176.99 2wdi h LEU 99 N 0.19 0.17 -1.09 2.57 7.12 -1.69 -3.26 115.31 119.32 2wdi h LEU 99 Ca 0.75 -0.82 0.19 0.00 0.13 0.00 0.00 57.88 58.14 2wdi h LEU 99 Cb 2.17 -0.06 -0.10 0.00 -0.53 0.00 0.00 40.66 42.15 2wdi h LEU 99 CO -0.43 1.37 0.61 -0.33 -0.13 0.00 0.00 178.44 179.54 2wdi h GLU 100 N -0.71 0.69 0.00 1.25 5.08 -0.47 0.10 114.58 120.52 2wdi h GLU 100 Ca -0.21 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 2wdi h GLU 100 Cb 1.40 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2wdi h GLU 100 CO -0.02 0.46 -0.13 0.45 -1.00 0.00 0.00 179.01 178.77 2wdi h HIS 101 N 0.71 0.00 0.05 4.33 3.86 -0.48 0.28 115.15 123.90 2wdi h HIS 101 Ca 0.56 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 59.50 2wdi h HIS 101 Cb 0.95 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.39 2wdi h HIS 101 CO -0.00 0.13 -1.47 0.00 0.86 0.00 0.00 177.93 177.44 2wdi h ALA 102 N 1.87 0.47 0.22 2.45 0.00 -0.86 -3.14 119.26 120.27 2wdi h ALA 102 Ca -0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.71 2wdi h ALA 102 Cb 0.51 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2wdi h ALA 102 CO 0.02 1.33 -0.11 0.28 0.00 0.00 0.00 179.25 180.76 2wdi h VAL 103 N 0.03 0.00 -0.94 0.00 2.07 -1.15 -3.23 116.25 113.03 2wdi h VAL 103 Ca -0.20 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.10 2wdi h VAL 103 Cb 1.95 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.60 2wdi h VAL 103 CO 0.12 0.00 -0.50 1.17 0.02 0.00 0.00 177.57 178.38 2wdi n LYS 104 N -3.69 -0.36 0.00 1.57 4.81 0.06 0.25 118.16 120.81 2wdi n LYS 104 Ca -0.04 1.43 0.00 0.00 -0.87 0.00 0.00 58.31 58.84 2wdi n LYS 104 Cb 0.12 -2.11 0.03 0.00 0.02 0.00 0.00 35.03 33.08 2wdi n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wdi n GLY 105 N -1.30 -0.03 0.00 3.14 0.00 -1.19 -1.42 105.19 104.39 2wdi n GLY 105 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2wdi n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wdi n MET 106 N -1.00 0.28 -3.86 1.61 2.81 0.70 -5.03 117.12 112.62 2wdi n MET 106 Ca 0.01 -0.72 -0.32 0.00 -1.81 0.00 0.00 57.70 54.85 2wdi n MET 106 Cb 0.00 -0.92 -0.04 0.00 -0.71 0.00 0.00 33.22 31.55 2wdi n MET 106 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wdi s LEU 107 N -0.28 4.35 0.66 4.03 1.43 -0.51 -5.00 118.68 123.36 2wdi s LEU 107 Ca 0.00 0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.30 2wdi s LEU 107 Cb 0.00 -2.90 -0.12 0.00 0.03 0.00 0.00 46.19 43.21 2wdi s LEU 107 CO 0.00 0.18 -0.03 -2.65 0.23 0.00 0.00 176.35 174.08 2wdi n PRO 108 N 0.52 0.12 0.06 1.29 -0.02 -1.26 -4.88 135.00 130.83 2wdi n PRO 108 Ca -0.07 0.05 0.13 0.00 -2.02 0.00 0.00 63.50 61.60 2wdi n PRO 108 Cb 0.52 -1.27 0.46 0.00 -0.02 0.00 0.00 33.50 33.19 2wdi n PRO 108 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wdi n LYS 109 N 1.00 0.16 -0.45 -0.52 5.02 -1.26 -3.84 118.16 118.27 2wdi n LYS 109 Ca 0.07 0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 56.39 2wdi n LYS 109 Cb 0.50 -1.68 0.07 0.00 -0.02 0.00 0.00 35.03 33.89 2wdi n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdi n GLY 110 N 1.39 -1.85 0.10 0.72 0.00 -1.26 -4.84 105.19 99.44 2wdi n GLY 110 Ca 0.06 -1.58 0.09 0.00 0.00 0.00 0.00 46.02 44.59 2wdi n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdi n PRO 111 N -2.16 0.12 -0.08 1.61 -0.02 -1.26 -2.27 135.00 130.94 2wdi n PRO 111 Ca 0.05 0.47 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 2wdi n PRO 111 Cb 0.17 -1.78 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 2wdi n PRO 111 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wdi h LEU 112 N 0.00 0.00 -1.55 2.45 5.85 -1.91 -2.78 115.31 117.37 2wdi h LEU 112 Ca 0.00 -0.63 0.28 0.00 0.84 0.00 0.00 57.88 58.37 2wdi h LEU 112 Cb 0.18 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 2wdi h LEU 112 CO 0.00 1.10 0.70 1.23 -0.34 0.00 0.00 178.44 181.13 2wdi h GLY 113 N -1.00 0.84 0.92 3.75 0.00 -1.56 1.05 103.07 107.08 2wdi h GLY 113 Ca -0.12 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 2wdi h GLY 113 CO -0.07 -0.09 -0.30 3.21 0.00 0.00 0.00 176.54 179.29 2wdi h ARG 114 N 0.28 0.62 0.24 4.80 3.08 -1.60 -1.80 114.38 120.00 2wdi h ARG 114 Ca 0.57 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2wdi h ARG 114 Cb 1.66 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.74 2wdi h ARG 114 CO -0.21 0.96 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.44 2wdi h ARG 115 N 0.32 -0.31 0.11 0.04 2.43 0.12 -3.00 114.38 114.09 2wdi h ARG 115 Ca 0.03 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2wdi h ARG 115 Cb 0.87 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 2wdi h ARG 115 CO 0.07 -0.20 -0.34 -0.07 -1.51 0.00 0.00 179.97 177.92 2wdi h LEU 116 N -0.34 -0.99 -1.31 3.80 3.38 -0.28 -0.47 115.31 119.10 2wdi h LEU 116 Ca -0.03 0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.25 2wdi h LEU 116 Cb 0.26 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2wdi h LEU 116 CO 0.05 -0.42 0.90 0.15 0.09 0.00 0.00 178.44 179.21 2wdi h PHE 117 N -0.56 0.00 0.00 1.13 3.57 -1.22 1.38 116.94 121.24 2wdi h PHE 117 Ca 0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2wdi h PHE 117 Cb 0.60 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 2wdi h PHE 117 CO -0.31 0.00 -0.09 0.87 -2.23 0.00 0.00 178.31 176.55 2wdi h LYS 118 N 0.00 0.00 -1.00 1.11 1.57 -0.94 -3.15 116.57 114.17 2wdi h LYS 118 Ca 0.32 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.04 2wdi h LYS 118 Cb 2.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.39 2wdi h LYS 118 CO -0.00 0.09 0.08 0.54 -0.57 0.00 0.00 179.45 179.60 2wdi n ARG 119 N -3.12 1.19 -3.74 3.15 5.12 0.47 -4.64 116.66 115.08 2wdi n ARG 119 Ca 0.04 -0.41 -0.28 0.00 -1.93 0.00 0.00 57.85 55.27 2wdi n ARG 119 Cb 0.56 -1.18 -0.16 0.00 -1.16 0.00 0.00 32.46 30.52 2wdi n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wdi s LEU 120 N -0.44 1.42 -0.45 0.55 1.98 -1.19 -1.96 118.68 118.58 2wdi s LEU 120 Ca 0.08 -1.00 -0.07 0.00 -2.89 0.00 0.00 54.13 50.24 2wdi s LEU 120 Cb 0.06 -0.67 0.12 0.00 0.66 0.00 0.00 46.19 46.36 2wdi s LEU 120 CO 0.02 -0.32 0.31 -0.54 -1.89 0.00 0.00 176.35 173.92 2wdi s LYS 121 N 1.80 2.35 -0.14 1.98 3.01 -0.74 -5.02 119.74 122.97 2wdi s LYS 121 Ca 0.01 -1.78 -0.05 0.00 -1.01 0.00 0.00 55.97 53.13 2wdi s LYS 121 Cb -0.17 -3.83 -0.04 0.00 -1.01 0.00 0.00 37.83 32.78 2wdi s LYS 121 CO -0.12 -1.16 0.06 0.08 0.51 0.00 0.00 175.35 174.72 2wdi s VAL 122 N 1.30 4.75 0.04 3.17 1.01 -1.26 -1.80 120.40 127.62 2wdi s VAL 122 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2wdi s VAL 122 Cb -0.25 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2wdi s VAL 122 CO -0.02 0.54 -0.05 -0.31 0.00 0.00 0.00 175.10 175.27 2wdi s TYR 123 N -0.30 0.50 -0.36 5.22 1.51 -0.56 -4.98 117.35 118.38 2wdi s TYR 123 Ca 0.08 -0.70 -0.09 0.00 -1.01 0.00 0.00 57.07 55.35 2wdi s TYR 123 Cb -0.12 -0.33 0.03 0.00 -0.11 0.00 0.00 41.96 41.43 2wdi s TYR 123 CO 0.02 -0.20 0.17 0.00 -1.11 0.00 0.00 175.55 174.42 2wdi s ALA 124 N -2.30 3.20 0.00 3.71 0.00 -1.26 -0.11 121.76 125.00 2wdi s ALA 124 Ca -0.06 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2wdi s ALA 124 Cb -0.04 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2wdi s ALA 124 CO -0.03 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.81 2wdi n GLY 125 N 4.94 -0.63 0.00 0.00 0.00 -1.26 -4.71 105.19 103.53 2wdi n GLY 125 Ca -0.12 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2wdi n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdi n PRO 126 N 0.00 2.17 -0.55 1.61 -0.04 -1.26 -4.68 135.00 132.25 2wdi n PRO 126 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2wdi n PRO 126 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2wdi n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdi n ASP 127 N 0.00 -1.04 -4.24 3.54 9.92 -1.26 -4.61 116.55 118.86 2wdi n ASP 127 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 2wdi n ASP 127 Cb 0.00 -0.52 -0.14 0.00 -0.64 0.00 0.00 41.12 39.82 2wdi n ASP 127 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2wdi s HIS 128 N 0.00 3.09 -0.68 1.24 -3.43 -1.26 -4.90 115.29 109.35 2wdi s HIS 128 Ca 0.00 -1.38 0.00 0.00 -0.80 0.00 0.00 55.06 52.88 2wdi s HIS 128 Cb 0.00 -2.12 0.00 0.00 -1.43 0.00 0.00 32.58 29.03 2wdi s HIS 128 CO 0.00 -0.68 0.36 -0.35 -2.00 0.00 0.00 174.74 172.07 2wdi n PRO 129 N 4.73 0.00 -3.95 -0.38 -0.04 -1.26 -3.99 135.00 130.10 2wdi n PRO 129 Ca -0.16 0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 2wdi n PRO 129 Cb 0.47 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 2wdi n PRO 129 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2wdi s HIS 130 N -1.72 3.27 -0.36 0.54 -3.43 -1.26 -5.05 115.29 107.28 2wdi s HIS 130 Ca 0.00 -2.97 -0.14 0.00 -0.80 0.00 0.00 55.06 51.15 2wdi s HIS 130 Cb 0.00 -2.74 -0.01 0.00 -1.43 0.00 0.00 32.58 28.40 2wdi s HIS 130 CO 0.00 -0.84 0.28 -1.14 -2.00 0.00 0.00 174.74 171.03 2wdi s GLN 131 N 0.39 3.38 0.00 -0.38 2.00 -1.26 -4.82 119.66 118.98 2wdi s GLN 131 Ca 0.14 -0.70 0.00 0.00 -2.00 0.00 0.00 55.36 52.80 2wdi s GLN 131 Cb -0.22 -3.85 0.00 0.00 0.80 0.00 0.00 33.01 29.74 2wdi s GLN 131 CO -0.05 -0.53 0.00 0.00 -0.50 0.00 0.00 175.29 174.21 2wdi n ALA 132 N 5.17 0.00 -0.58 1.58 0.00 -1.26 -5.11 120.51 120.31 2wdi n ALA 132 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wdi n ALA 132 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2wdi n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdi n GLN 133 N 0.00 -1.66 0.00 0.00 7.27 -1.26 -5.05 117.38 116.68 2wdi n GLN 133 Ca 0.00 1.24 0.00 0.00 0.07 0.00 0.00 57.00 58.31 2wdi n GLN 133 Cb 0.00 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.23 2wdi n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2wdi n ARG 134 N -1.09 0.00 -1.48 3.69 -4.01 -1.26 -4.94 116.66 107.56 2wdi n ARG 134 Ca 0.00 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.39 2wdi n ARG 134 Cb 0.02 0.00 -0.12 0.00 -3.04 0.00 0.00 32.46 29.33 2wdi n ARG 134 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 2wdi n PRO 135 N 0.00 0.29 -1.44 2.89 -0.02 -1.24 -3.63 135.00 131.84 2wdi n PRO 135 Ca 0.00 0.02 -0.38 0.00 -2.02 0.00 0.00 63.50 61.12 2wdi n PRO 135 Cb 0.00 -1.96 0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2wdi n PRO 135 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wdi n GLU 136 N 8.49 0.45 -3.71 -0.52 0.00 -1.26 -2.69 120.64 121.40 2wdi n GLU 136 Ca 0.57 0.18 -0.13 0.00 0.00 0.00 0.00 57.16 57.78 2wdi n GLU 136 Cb 0.14 -1.62 -0.13 0.00 0.00 0.00 0.00 31.44 29.83 2wdi n GLU 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2wdi s LYS 137 N -1.96 0.18 -1.36 5.31 1.02 -0.59 -4.72 119.74 117.63 2wdi s LYS 137 Ca 0.67 0.56 -0.15 0.00 0.02 0.00 0.00 55.97 57.08 2wdi s LYS 137 Cb -0.45 -0.11 0.01 0.00 -0.52 0.00 0.00 37.83 36.75 2wdi s LYS 137 CO 0.56 -0.19 2.20 1.28 -0.92 0.00 0.00 175.35 178.28 2wdi n LEU 138 N 4.49 6.50 0.00 3.17 4.77 -1.26 -4.54 117.00 130.12 2wdi n LEU 138 Ca -0.21 -3.95 0.00 0.00 -0.03 0.00 0.00 56.01 51.82 2wdi n LEU 138 Cb 0.52 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2wdi n LEU 138 CO 0.12 0.91 0.00 1.21 -1.33 0.00 0.00 177.39 178.30