#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl n PHE 2 N 0.00 0.00 0.00 2.03 7.35 -1.26 -4.68 117.46 120.89 2wdl n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2wdl n PHE 2 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2wdl n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdl n ALA 3 N -3.00 -0.03 -3.25 3.13 0.00 -1.26 -4.13 120.51 111.96 2wdl n ALA 3 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2wdl n ALA 3 Cb 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 2wdl n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wdl s ILE 4 N -2.11 0.00 0.61 0.00 1.01 0.82 -3.31 121.20 118.22 2wdl s ILE 4 Ca 0.00 -2.19 -0.16 0.00 0.00 0.00 0.00 60.65 58.30 2wdl s ILE 4 Cb 0.00 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 2wdl s ILE 4 CO 0.00 -0.93 1.09 0.54 0.00 0.00 0.00 174.94 175.64 2wdl s VAL 5 N 0.33 3.42 -0.05 2.92 0.11 -0.88 -1.91 120.40 124.33 2wdl s VAL 5 Ca 0.31 0.71 0.04 0.00 -2.93 0.00 0.00 61.98 60.12 2wdl s VAL 5 Cb 0.01 -3.23 -0.02 0.00 -1.53 0.00 0.00 36.38 31.61 2wdl s VAL 5 CO -0.15 -0.36 -0.18 -0.75 -3.33 0.00 0.00 175.10 170.33 2wdl s LYS 6 N -3.90 2.51 -0.25 1.54 2.20 -1.19 -0.67 119.74 119.98 2wdl s LYS 6 Ca 0.67 -0.77 -0.34 0.00 -0.36 0.00 0.00 55.97 55.17 2wdl s LYS 6 Cb -0.20 -2.31 0.16 0.00 -1.51 0.00 0.00 37.83 33.98 2wdl s LYS 6 CO 0.36 0.54 1.30 -0.08 -0.36 0.00 0.00 175.35 177.12 2wdl s THR 7 N -0.53 0.00 -0.61 3.43 -1.32 0.14 -4.72 115.64 112.03 2wdl s THR 7 Ca 0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 2wdl s THR 7 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2wdl s THR 7 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 2wdl n GLY 8 N 0.16 0.56 0.95 6.08 0.00 -1.26 -0.97 105.19 110.71 2wdl n GLY 8 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wdl n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 9 N 0.53 0.86 2.92 -0.02 0.00 -1.26 -4.99 105.19 103.23 2wdl n GLY 9 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2wdl n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdl n LYS 10 N -2.00 0.83 -4.13 1.61 5.02 -0.15 -5.17 118.16 114.18 2wdl n LYS 10 Ca 0.00 -2.99 -0.10 0.00 -2.02 0.00 0.00 58.31 53.21 2wdl n LYS 10 Cb 0.00 1.14 -0.10 0.00 -0.02 0.00 0.00 35.03 36.05 2wdl n LYS 10 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wdl s GLN 11 N -3.42 0.72 0.22 1.97 -0.21 -1.26 0.27 119.66 117.94 2wdl s GLN 11 Ca 0.07 -1.22 -0.00 0.00 0.02 0.00 0.00 55.36 54.23 2wdl s GLN 11 Cb 0.00 -0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.89 2wdl s GLN 11 CO 0.05 -0.04 0.12 0.71 -2.12 0.00 0.00 175.29 174.01 2wdl s TYR 12 N -3.44 1.30 -0.90 0.91 2.02 0.15 -4.97 117.35 112.41 2wdl s TYR 12 Ca 0.07 -1.31 -0.05 0.00 -0.37 0.00 0.00 57.07 55.42 2wdl s TYR 12 Cb 0.04 -0.68 0.23 0.00 -0.40 0.00 0.00 41.96 41.15 2wdl s TYR 12 CO -0.06 -0.53 0.82 0.50 -1.57 0.00 0.00 175.55 174.71 2wdl s ARG 13 N -4.11 3.45 0.91 -0.62 3.52 -1.26 -2.08 118.95 118.76 2wdl s ARG 13 Ca 0.39 -3.07 -0.13 0.00 -0.13 0.00 0.00 55.73 52.78 2wdl s ARG 13 Cb 0.07 -4.13 0.14 0.00 -1.56 0.00 0.00 34.95 29.47 2wdl s ARG 13 CO 0.13 -1.25 1.18 0.14 -0.81 0.00 0.00 175.30 174.69 2wdl s VAL 14 N -0.98 1.97 0.26 7.11 -7.23 -1.21 -4.98 120.40 115.34 2wdl s VAL 14 Ca 0.26 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.37 2wdl s VAL 14 Cb -0.10 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 34.02 2wdl s VAL 14 CO -0.10 0.00 0.45 -0.62 -0.31 0.00 0.00 175.10 174.52 2wdl n GLU 15 N -3.71 0.64 0.00 4.82 1.02 -1.26 -4.16 120.64 118.00 2wdl n GLU 15 Ca 0.09 -1.69 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 2wdl n GLU 15 Cb 0.60 1.87 0.00 0.00 -0.02 0.00 0.00 31.44 33.88 2wdl n GLU 15 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wdl n PRO 16 N -0.38 0.00 -3.72 3.49 -0.02 -1.26 -4.46 135.00 128.65 2wdl n PRO 16 Ca -0.03 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.38 2wdl n PRO 16 Cb 0.40 -0.10 -0.13 0.00 -0.02 0.00 0.00 33.50 33.65 2wdl n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wdl s GLY 17 N -0.18 -0.15 0.00 -1.23 0.00 -1.24 -3.63 107.32 100.90 2wdl s GLY 17 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.73 2wdl s GLY 17 CO 0.00 1.33 0.00 1.47 0.00 0.00 0.00 173.10 175.90 2wdl n LEU 18 N 4.32 0.00 -1.02 0.66 -0.00 -1.26 -4.90 117.00 114.81 2wdl n LEU 18 Ca -0.24 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 55.81 2wdl n LEU 18 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.92 2wdl n LEU 18 CO 0.13 0.00 -0.23 1.17 -0.00 0.00 0.00 177.39 178.46 2wdl n LYS 19 N -0.42 -1.43 0.00 1.47 3.00 -1.26 -4.61 118.16 114.91 2wdl n LYS 19 Ca 0.00 1.14 0.00 0.00 -0.00 0.00 0.00 58.31 59.45 2wdl n LYS 19 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.17 2wdl n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2wdl n LEU 20 N -3.03 0.00 -4.94 3.14 4.32 -1.26 -4.83 117.00 110.40 2wdl n LEU 20 Ca -0.02 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.71 2wdl n LEU 20 Cb 0.24 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 2wdl n LEU 20 CO 0.01 0.00 -0.04 -0.13 -1.22 0.00 0.00 177.39 176.01 2wdl s ARG 21 N 2.33 3.47 -0.32 3.23 3.00 -1.26 -2.83 118.95 126.57 2wdl s ARG 21 Ca 0.00 -0.53 0.17 0.00 0.00 0.00 0.00 55.73 55.37 2wdl s ARG 21 Cb 0.00 -2.90 0.45 0.00 0.00 0.00 0.00 34.95 32.50 2wdl s ARG 21 CO 0.00 0.45 1.21 1.33 0.00 0.00 0.00 175.30 178.29 2wdl n VAL 22 N -0.78 0.68 -1.11 3.52 0.24 -0.67 -4.90 118.33 115.31 2wdl n VAL 22 Ca -0.06 -2.27 0.00 0.00 -2.04 0.00 0.00 64.34 59.97 2wdl n VAL 22 Cb 0.54 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 2wdl n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdl n GLU 23 N -0.67 -2.88 -0.40 7.34 -0.58 -1.26 -4.36 120.64 117.82 2wdl n GLU 23 Ca 0.00 2.14 -0.14 0.00 -0.42 0.00 0.00 57.16 58.74 2wdl n GLU 23 Cb 0.83 -2.26 -0.01 0.00 -0.57 0.00 0.00 31.44 29.43 2wdl n GLU 23 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdl n LYS 24 N 0.36 0.00 -4.04 3.49 4.76 -1.23 -4.44 118.16 117.06 2wdl n LYS 24 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 2wdl n LYS 24 Cb 0.00 -0.31 -0.16 0.00 -1.84 0.00 0.00 35.03 32.72 2wdl n LYS 24 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wdl s LEU 25 N 0.70 1.45 0.00 -0.35 1.43 -1.26 -4.96 118.68 115.69 2wdl s LEU 25 Ca 0.20 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2wdl s LEU 25 Cb -0.28 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.66 2wdl s LEU 25 CO 0.16 -0.05 0.68 -0.67 0.23 0.00 0.00 176.35 176.71 2wdl n ASP 26 N 3.78 1.92 -4.63 2.29 2.03 -1.26 -4.74 116.55 115.94 2wdl n ASP 26 Ca -0.23 -1.27 -0.38 0.00 0.52 0.00 0.00 54.79 53.44 2wdl n ASP 26 Cb 0.53 -0.37 -0.09 0.00 -0.72 0.00 0.00 41.12 40.46 2wdl n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wdl s ALA 27 N 0.74 3.57 1.01 -1.67 0.00 -1.26 -5.07 121.76 119.08 2wdl s ALA 27 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 2wdl s ALA 27 Cb 0.00 -2.52 -0.16 0.00 0.00 0.00 0.00 23.12 20.44 2wdl s ALA 27 CO 0.00 -0.41 -1.18 0.39 0.00 0.00 0.00 175.76 174.57 2wdl n GLU 28 N 4.75 -0.10 0.00 0.00 1.02 -1.26 -4.84 120.64 120.21 2wdl n GLU 28 Ca -0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2wdl n GLU 28 Cb 0.51 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 2wdl n GLU 28 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2wdl n PRO 29 N 2.12 0.00 -1.56 3.49 -0.04 -1.26 -3.13 135.00 134.62 2wdl n PRO 29 Ca -0.02 0.87 -0.26 0.00 -0.04 0.00 0.00 63.50 64.05 2wdl n PRO 29 Cb 0.68 -1.42 0.07 0.00 -0.04 0.00 0.00 33.50 32.79 2wdl n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdl n GLY 30 N -0.99 5.95 0.00 0.55 0.00 -1.26 -3.76 105.19 105.68 2wdl n GLY 30 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2wdl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdl n ALA 31 N -0.86 0.00 -3.45 4.61 0.00 -1.18 -4.79 120.51 114.83 2wdl n ALA 31 Ca 0.51 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.72 2wdl n ALA 31 Cb 0.87 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.21 2wdl n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wdl s THR 32 N -0.91 -0.19 0.24 0.00 2.01 -1.26 -2.24 115.64 113.28 2wdl s THR 32 Ca 0.00 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 60.96 2wdl s THR 32 Cb 0.00 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.47 2wdl s THR 32 CO 0.00 -0.66 0.71 0.68 -0.69 0.00 0.00 174.62 174.66 2wdl s VAL 33 N 1.92 4.62 -0.20 3.82 -7.23 -0.90 -4.91 120.40 117.52 2wdl s VAL 33 Ca 0.12 1.17 -0.09 0.00 -1.81 0.00 0.00 61.98 61.36 2wdl s VAL 33 Cb -0.16 -3.79 -0.05 0.00 0.56 0.00 0.00 36.38 32.94 2wdl s VAL 33 CO -0.24 0.12 0.11 -0.70 -0.31 0.00 0.00 175.10 174.07 2wdl s GLU 34 N -2.21 4.08 -1.16 4.82 2.12 -1.26 -1.66 118.70 123.43 2wdl s GLU 34 Ca 0.45 -0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.46 2wdl s GLU 34 Cb -0.15 -3.37 0.25 0.00 0.26 0.00 0.00 34.13 31.12 2wdl s GLU 34 CO 0.20 0.23 1.85 1.28 -0.54 0.00 0.00 175.26 178.28 2wdl n LEU 35 N 3.71 7.09 -0.62 2.70 7.99 0.34 -4.80 117.00 133.40 2wdl n LEU 35 Ca -0.16 -5.09 0.49 0.00 -0.01 0.00 0.00 56.01 51.24 2wdl n LEU 35 Cb 0.52 -1.30 0.78 0.00 -0.11 0.00 0.00 43.42 43.31 2wdl n LEU 35 CO 0.36 1.82 1.41 1.55 -1.51 0.00 0.00 177.39 181.01 2wdl h PRO 36 N 4.96 0.01 -5.75 3.23 0.13 -1.85 -3.27 132.00 129.45 2wdl h PRO 36 Ca 0.44 -0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 65.03 2wdl h PRO 36 Cb 0.47 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2wdl h PRO 36 CO 1.38 0.00 1.56 1.33 -0.23 0.00 0.00 178.00 182.05 2wdl n VAL 37 N -4.19 0.11 -3.69 1.56 0.24 -1.26 -4.55 118.33 106.54 2wdl n VAL 37 Ca 0.43 -0.54 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 2wdl n VAL 37 Cb 1.85 -2.36 -0.09 0.00 -1.47 0.00 0.00 33.84 31.77 2wdl n VAL 37 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2wdl s LEU 38 N 9.89 -0.07 0.03 1.34 0.20 -1.25 -3.16 118.68 125.66 2wdl s LEU 38 Ca 1.04 1.04 0.01 0.00 0.69 0.00 0.00 54.13 56.91 2wdl s LEU 38 Cb -0.43 1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 47.02 2wdl s LEU 38 CO 0.35 -0.19 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.41 2wdl s LEU 39 N 0.67 2.23 0.35 -0.68 2.01 -0.80 -3.17 118.68 119.30 2wdl s LEU 39 Ca -0.03 -0.50 0.00 0.00 0.01 0.00 0.00 54.13 53.61 2wdl s LEU 39 Cb -0.05 -0.06 0.00 0.00 0.01 0.00 0.00 46.19 46.09 2wdl s LEU 39 CO -0.05 -0.23 0.00 0.18 1.01 0.00 0.00 176.35 177.27 2wdl n LEU 40 N 1.61 -0.65 0.00 1.79 7.99 -1.12 -0.13 117.00 126.50 2wdl n LEU 40 Ca -0.23 1.48 -0.02 0.00 -0.01 0.00 0.00 56.01 57.24 2wdl n LEU 40 Cb 0.55 -3.57 0.00 0.00 -0.11 0.00 0.00 43.42 40.30 2wdl n LEU 40 CO 0.21 -2.48 0.08 0.61 -1.51 0.00 0.00 177.39 174.30 2wdl n GLY 41 N -3.82 2.13 0.55 -0.72 0.00 -1.26 -4.19 105.19 97.88 2wdl n GLY 41 Ca -0.02 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 44.97 2wdl n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdl n GLY 42 N -0.10 0.12 0.30 -0.02 0.00 -1.26 -4.01 105.19 100.23 2wdl n GLY 42 Ca -0.01 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.55 2wdl n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdl n GLU 43 N 0.25 1.14 -2.16 1.61 -0.58 -1.26 -4.89 120.64 114.74 2wdl n GLU 43 Ca 0.14 -2.52 -0.01 0.00 -0.42 0.00 0.00 57.16 54.35 2wdl n GLU 43 Cb 0.44 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 2wdl n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wdl n LYS 44 N -1.11 -0.74 -0.04 3.49 5.02 -1.26 -5.01 118.16 118.52 2wdl n LYS 44 Ca 0.14 1.04 0.04 0.00 -2.02 0.00 0.00 58.31 57.51 2wdl n LYS 44 Cb 0.68 -3.39 -0.16 0.00 -0.02 0.00 0.00 35.03 32.14 2wdl n LYS 44 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2wdl n THR 45 N -1.04 0.42 -0.73 -0.18 -1.04 -1.26 -4.91 114.28 105.54 2wdl n THR 45 Ca 0.02 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 2wdl n THR 45 Cb 0.40 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 2wdl n THR 45 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2wdl n VAL 46 N -2.38 0.00 -3.55 12.58 3.14 -1.26 -4.72 118.33 122.14 2wdl n VAL 46 Ca -0.12 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.11 2wdl n VAL 46 Cb 0.73 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.38 2wdl n VAL 46 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2wdl s VAL 47 N 0.00 -0.41 0.00 1.55 -7.23 -1.26 -2.78 120.40 110.27 2wdl s VAL 47 Ca 0.00 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 2wdl s VAL 47 Cb 0.00 -0.59 0.00 0.00 0.56 0.00 0.00 36.38 36.35 2wdl s VAL 47 CO 0.00 -0.04 0.23 0.61 -0.31 0.00 0.00 175.10 175.59 2wdl n GLY 48 N 5.34 -1.69 0.00 2.32 0.00 -1.25 -4.44 105.19 105.47 2wdl n GLY 48 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2wdl n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdl n THR 49 N -0.61 0.00 0.17 2.61 -1.04 -1.26 -4.91 114.28 109.23 2wdl n THR 49 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2wdl n THR 49 Cb 0.00 0.00 0.28 0.00 -1.82 0.00 0.00 70.33 68.79 2wdl n THR 49 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2wdl h PRO 50 N 0.00 0.00 -6.08 -2.82 0.11 -2.02 -3.45 132.00 117.74 2wdl h PRO 50 Ca 0.00 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.54 2wdl h PRO 50 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 2wdl h PRO 50 CO 0.00 0.48 -0.77 0.08 -0.21 0.00 0.00 178.00 177.58 2wdl s VAL 51 N -3.80 2.18 -0.60 3.15 1.01 -1.26 -4.70 120.40 116.38 2wdl s VAL 51 Ca -0.01 -2.22 -0.19 0.00 0.00 0.00 0.00 61.98 59.55 2wdl s VAL 51 Cb 0.13 -2.14 0.10 0.00 0.00 0.00 0.00 36.38 34.47 2wdl s VAL 51 CO 0.73 -0.38 0.73 0.54 0.00 0.00 0.00 175.10 176.71 2wdl s VAL 52 N -2.40 4.78 0.00 2.92 0.11 -1.19 -3.83 120.40 120.79 2wdl s VAL 52 Ca 0.24 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 2wdl s VAL 52 Cb -0.05 -4.51 0.00 0.00 -1.53 0.00 0.00 36.38 30.30 2wdl s VAL 52 CO 0.11 -1.16 0.05 -0.62 -3.33 0.00 0.00 175.10 170.15 2wdl n GLU 53 N 6.45 0.00 -2.33 1.54 1.02 -1.26 -3.04 120.64 123.02 2wdl n GLU 53 Ca -0.09 0.05 -0.35 0.00 -0.02 0.00 0.00 57.16 56.75 2wdl n GLU 53 Cb 0.43 -0.23 -0.03 0.00 -0.02 0.00 0.00 31.44 31.58 2wdl n GLU 53 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wdl s GLY 54 N 0.00 0.86 -0.30 0.62 0.00 -1.26 -4.78 107.32 102.46 2wdl s GLY 54 Ca 0.00 -2.26 -0.17 0.00 0.00 0.00 0.00 44.72 42.29 2wdl s GLY 54 CO 0.00 3.09 1.17 0.00 0.00 0.00 0.00 173.10 177.37 2wdl s ALA 55 N 7.41 -3.17 0.01 3.20 0.00 -1.17 -4.72 121.76 123.31 2wdl s ALA 55 Ca 0.59 1.80 0.01 0.00 0.00 0.00 0.00 51.96 54.36 2wdl s ALA 55 Cb -0.01 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 2wdl s ALA 55 CO 0.03 -1.05 -0.04 -1.54 0.00 0.00 0.00 175.76 173.16 2wdl s SER 56 N 2.32 0.41 -0.23 0.00 1.04 -0.80 -4.56 113.70 111.88 2wdl s SER 56 Ca -0.01 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 2wdl s SER 56 Cb -0.04 0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.10 2wdl s SER 56 CO -0.15 -0.12 -0.04 0.54 0.98 0.00 0.00 173.24 174.45 2wdl s VAL 57 N -0.76 3.29 0.10 5.02 0.11 -1.23 -2.93 120.40 123.99 2wdl s VAL 57 Ca -0.06 -0.60 -0.27 0.00 -2.93 0.00 0.00 61.98 58.11 2wdl s VAL 57 Cb -0.06 -2.53 -0.06 0.00 -1.53 0.00 0.00 36.38 32.20 2wdl s VAL 57 CO -0.00 0.37 0.86 -0.69 -3.33 0.00 0.00 175.10 172.31 2wdl s VAL 58 N 1.45 4.56 -0.03 2.04 1.01 0.30 -0.50 120.40 129.23 2wdl s VAL 58 Ca 0.05 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 2wdl s VAL 58 Cb -0.15 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2wdl s VAL 58 CO -0.03 0.37 0.05 0.00 0.00 0.00 0.00 175.10 175.49 2wdl s ALA 59 N -0.21 -0.07 -0.09 5.51 0.00 -0.67 -0.08 121.76 126.15 2wdl s ALA 59 Ca 0.42 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 2wdl s ALA 59 Cb -0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2wdl s ALA 59 CO 0.27 -0.07 0.19 -2.00 0.00 0.00 0.00 175.76 174.14 2wdl s GLU 60 N 0.57 3.52 -0.05 0.00 2.12 -0.72 -2.12 118.70 122.01 2wdl s GLU 60 Ca -0.05 -0.05 -0.25 0.00 0.36 0.00 0.00 54.97 54.98 2wdl s GLU 60 Cb -0.06 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 2wdl s GLU 60 CO -0.02 0.76 0.77 0.54 -0.54 0.00 0.00 175.26 176.77 2wdl s VAL 61 N -1.06 5.00 -0.58 3.70 0.11 -0.95 -0.36 120.40 126.26 2wdl s VAL 61 Ca 0.17 1.60 0.23 0.00 -2.93 0.00 0.00 61.98 61.06 2wdl s VAL 61 Cb -0.13 -4.11 -0.10 0.00 -1.53 0.00 0.00 36.38 30.51 2wdl s VAL 61 CO 0.06 0.23 1.05 0.18 -3.33 0.00 0.00 175.10 173.29 2wdl n LEU 62 N 3.80 0.62 0.00 2.54 7.99 0.22 -4.24 117.00 127.92 2wdl n LEU 62 Ca 0.01 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 2wdl n LEU 62 Cb 0.51 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 2wdl n LEU 62 CO 0.48 0.02 0.00 0.61 -1.51 0.00 0.00 177.39 176.99 2wdl n GLY 63 N 1.35 -0.46 0.16 -0.72 0.00 -1.23 -4.88 105.19 99.43 2wdl n GLY 63 Ca 0.02 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 2wdl n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdl n HIS 64 N 3.41 0.01 0.00 1.61 8.25 -1.26 -0.78 115.22 126.45 2wdl n HIS 64 Ca 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2wdl n HIS 64 Cb 0.00 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.09 2wdl n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdl n GLY 65 N 4.73 3.50 3.73 -1.41 0.00 -0.92 -4.84 105.19 109.98 2wdl n GLY 65 Ca -0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2wdl n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdl s ARG 66 N -1.15 4.21 0.96 1.61 0.52 -1.26 -2.20 118.95 121.65 2wdl s ARG 66 Ca 0.00 2.39 -0.13 0.00 -0.52 0.00 0.00 55.73 57.47 2wdl s ARG 66 Cb 0.00 -3.12 0.17 0.00 0.52 0.00 0.00 34.95 32.52 2wdl s ARG 66 CO 0.00 -0.56 1.13 0.20 0.02 0.00 0.00 175.30 176.09 2wdl s GLY 67 N 0.82 1.58 0.18 -3.53 0.00 0.15 -4.94 107.32 101.58 2wdl s GLY 67 Ca 0.66 -0.56 -0.33 0.00 0.00 0.00 0.00 44.72 44.49 2wdl s GLY 67 CO 0.37 0.05 1.68 1.17 0.00 0.00 0.00 173.10 176.38 2wdl n LYS 68 N -3.96 2.54 -1.69 2.90 3.00 -1.26 -4.53 118.16 115.15 2wdl n LYS 68 Ca 0.07 0.92 -0.43 0.00 -0.00 0.00 0.00 58.31 58.87 2wdl n LYS 68 Cb 0.59 -2.74 -0.01 0.00 0.00 0.00 0.00 35.03 32.87 2wdl n LYS 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2wdl n LYS 69 N 3.96 2.12 -5.15 1.64 4.81 -1.26 -4.77 118.16 119.50 2wdl n LYS 69 Ca 0.17 0.75 -0.32 0.00 -0.87 0.00 0.00 58.31 58.03 2wdl n LYS 69 Cb 0.33 -2.35 -0.17 0.00 0.02 0.00 0.00 35.03 32.86 2wdl n LYS 69 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wdl s ILE 70 N -0.79 2.03 -0.24 3.15 1.01 0.10 -4.97 121.20 121.50 2wdl s ILE 70 Ca 0.59 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.06 2wdl s ILE 70 Cb -0.59 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 2wdl s ILE 70 CO 0.58 0.55 0.51 -0.76 0.00 0.00 0.00 174.94 175.83 2wdl s LEU 71 N 0.39 4.09 -0.40 2.97 1.43 -1.26 -1.49 118.68 124.42 2wdl s LEU 71 Ca -0.18 0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 2wdl s LEU 71 Cb -0.18 -2.68 0.08 0.00 0.03 0.00 0.00 46.19 43.45 2wdl s LEU 71 CO 0.08 -0.24 0.20 0.68 0.23 0.00 0.00 176.35 177.30 2wdl s VAL 72 N 2.02 3.79 -0.15 -1.59 -7.23 -0.41 -4.99 120.40 111.84 2wdl s VAL 72 Ca 0.22 -1.55 -0.04 0.00 -1.81 0.00 0.00 61.98 58.80 2wdl s VAL 72 Cb -0.15 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.39 2wdl s VAL 72 CO 0.09 -0.48 -0.02 -0.94 -0.31 0.00 0.00 175.10 173.44 2wdl s SER 73 N 1.89 4.94 -0.05 4.85 1.04 -1.26 -1.86 113.70 123.25 2wdl s SER 73 Ca 0.03 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.39 2wdl s SER 73 Cb -0.22 -1.78 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 2wdl s SER 73 CO 0.00 0.19 -0.05 -0.54 0.98 0.00 0.00 173.24 173.82 2wdl s LYS 74 N 0.25 2.76 -0.15 4.02 1.02 0.24 -4.96 119.74 122.93 2wdl s LYS 74 Ca -0.02 -0.56 -0.07 0.00 0.02 0.00 0.00 55.97 55.34 2wdl s LYS 74 Cb -0.14 -2.62 0.06 0.00 -0.52 0.00 0.00 37.83 34.61 2wdl s LYS 74 CO 0.02 0.66 0.34 0.12 -0.92 0.00 0.00 175.35 175.57 2wdl s PHE 75 N -0.89 -0.52 -0.19 3.18 2.19 -1.26 -0.74 117.98 119.75 2wdl s PHE 75 Ca 0.14 1.13 0.01 0.00 0.33 0.00 0.00 56.93 58.53 2wdl s PHE 75 Cb -0.11 0.16 0.02 0.00 -1.31 0.00 0.00 43.02 41.78 2wdl s PHE 75 CO 0.04 -0.33 -0.18 0.15 1.83 0.00 0.00 175.22 176.73 2wdl s LYS 76 N 1.72 2.99 0.94 10.12 1.02 -0.72 -5.04 119.74 130.78 2wdl s LYS 76 Ca -0.06 -0.84 -0.10 0.00 0.02 0.00 0.00 55.97 54.99 2wdl s LYS 76 Cb -0.10 -2.64 0.16 0.00 -0.52 0.00 0.00 37.83 34.73 2wdl s LYS 76 CO -0.11 -0.23 1.14 0.00 -0.92 0.00 0.00 175.35 175.23 2wdl s ALA 77 N 1.30 1.25 -1.22 5.17 0.00 -1.26 -3.71 121.76 123.30 2wdl s ALA 77 Ca 0.04 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 2wdl s ALA 77 Cb -0.14 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2wdl s ALA 77 CO -0.11 -2.90 0.04 1.63 0.00 0.00 0.00 175.76 174.42 2wdl n LYS 78 N -4.32 -0.91 0.00 0.00 5.02 -1.26 -4.65 118.16 112.05 2wdl n LYS 78 Ca 0.11 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2wdl n LYS 78 Cb 0.52 -2.79 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 2wdl n LYS 78 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2wdl n VAL 79 N -3.91 0.00 -3.29 -0.18 3.14 -1.25 -5.03 118.33 107.80 2wdl n VAL 79 Ca -0.25 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 60.94 2wdl n VAL 79 Cb 0.55 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.39 2wdl n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wdl n GLN 80 N 0.00 -5.96 -3.73 1.45 1.13 -1.26 -4.99 117.38 104.03 2wdl n GLN 80 Ca 0.00 0.66 -0.38 0.00 -1.94 0.00 0.00 57.00 55.34 2wdl n GLN 80 Cb 0.10 -5.16 -0.12 0.00 0.11 0.00 0.00 30.24 25.17 2wdl n GLN 80 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2wdl s TYR 81 N -3.22 3.36 0.02 1.08 6.14 -1.24 -5.05 117.35 118.44 2wdl s TYR 81 Ca 0.43 -1.76 0.05 0.00 0.64 0.00 0.00 57.07 56.43 2wdl s TYR 81 Cb -0.19 -2.72 -0.02 0.00 0.42 0.00 0.00 41.96 39.45 2wdl s TYR 81 CO 0.54 -0.84 -0.16 1.03 0.64 0.00 0.00 175.55 176.75 2wdl s ARG 82 N 1.33 1.15 -0.15 4.97 3.00 -1.26 -1.75 118.95 126.24 2wdl s ARG 82 Ca 0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 55.73 54.96 2wdl s ARG 82 Cb -0.22 -1.17 0.07 0.00 0.00 0.00 0.00 34.95 33.63 2wdl s ARG 82 CO 0.00 0.30 0.28 1.03 0.00 0.00 0.00 175.30 176.92 2wdl s ARG 83 N -0.90 0.18 -0.22 3.54 1.81 0.08 -4.97 118.95 118.47 2wdl s ARG 83 Ca 0.05 0.71 -0.05 0.00 -1.72 0.00 0.00 55.73 54.72 2wdl s ARG 83 Cb -0.07 -0.14 -0.02 0.00 -0.45 0.00 0.00 34.95 34.27 2wdl s ARG 83 CO 0.01 -0.34 -0.01 0.21 -0.68 0.00 0.00 175.30 174.49 2wdl s LYS 84 N 2.44 3.50 -0.10 3.54 2.20 -1.26 -0.59 119.74 129.46 2wdl s LYS 84 Ca 0.02 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2wdl s LYS 84 Cb -0.13 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 2wdl s LYS 84 CO -0.10 -0.12 -0.10 0.21 -0.36 0.00 0.00 175.35 174.88 2wdl s LYS 85 N 1.33 1.66 -0.30 4.03 2.47 -0.78 -5.03 119.74 123.12 2wdl s LYS 85 Ca 0.04 -0.34 -0.16 0.00 -1.56 0.00 0.00 55.97 53.95 2wdl s LYS 85 Cb -0.15 -1.57 -0.02 0.00 -1.46 0.00 0.00 37.83 34.63 2wdl s LYS 85 CO -0.00 -0.16 0.40 0.20 0.16 0.00 0.00 175.35 175.96 2wdl s GLY 86 N 1.30 1.87 -0.06 5.54 0.00 -1.26 -1.29 107.32 113.42 2wdl s GLY 86 Ca -0.02 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.79 2wdl s GLY 86 CO -0.04 1.05 -0.19 -1.58 0.00 0.00 0.00 173.10 172.35 2wdl s HIS 87 N 2.13 1.94 -0.16 1.90 2.46 -0.55 -4.97 115.29 118.04 2wdl s HIS 87 Ca 0.15 -0.66 -0.02 0.00 0.47 0.00 0.00 55.06 55.00 2wdl s HIS 87 Cb -0.16 -1.32 0.05 0.00 -0.13 0.00 0.00 32.58 31.02 2wdl s HIS 87 CO 0.11 -0.26 0.00 1.03 -2.47 0.00 0.00 174.74 173.16 2wdl s ARG 88 N 0.23 0.84 -0.01 2.88 0.52 -1.26 0.01 118.95 122.17 2wdl s ARG 88 Ca -0.10 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 54.49 2wdl s ARG 88 Cb -0.14 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 2wdl s ARG 88 CO 0.04 -0.51 1.06 -0.65 0.02 0.00 0.00 175.30 175.27 2wdl s GLN 89 N 1.83 4.48 0.15 3.54 -1.52 -1.26 -4.66 119.66 122.22 2wdl s GLN 89 Ca 0.01 1.53 -0.18 0.00 -1.95 0.00 0.00 55.36 54.77 2wdl s GLN 89 Cb -0.15 -3.45 -0.07 0.00 -0.22 0.00 0.00 33.01 29.11 2wdl s GLN 89 CO -0.07 -0.19 0.63 -1.25 -0.25 0.00 0.00 175.29 174.16 2wdl s PRO 90 N 1.31 4.16 0.30 2.91 0.04 -1.26 0.31 135.00 142.76 2wdl s PRO 90 Ca 0.54 0.72 0.03 0.00 0.04 0.00 0.00 61.00 62.32 2wdl s PRO 90 Cb -0.23 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2wdl s PRO 90 CO 0.26 0.50 0.12 2.48 0.04 0.00 0.00 177.00 180.39 2wdl n TYR 91 N 1.05 0.04 -3.73 0.56 0.18 -0.93 -3.55 117.16 110.78 2wdl n TYR 91 Ca -0.06 -1.94 -0.17 0.00 1.88 0.00 0.00 57.90 57.62 2wdl n TYR 91 Cb 0.51 0.02 -0.16 0.00 -0.38 0.00 0.00 39.34 39.32 2wdl n TYR 91 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2wdl s THR 92 N -2.70 -0.09 -0.26 -3.48 -4.23 -1.26 -2.16 115.64 101.46 2wdl s THR 92 Ca 0.16 0.30 -0.20 0.00 -1.18 0.00 0.00 61.69 60.77 2wdl s THR 92 Cb 0.01 -0.14 -0.02 0.00 1.34 0.00 0.00 72.50 73.69 2wdl s THR 92 CO 0.12 0.12 0.63 -1.61 -0.54 0.00 0.00 174.62 173.34 2wdl s GLU 93 N 1.55 4.11 0.31 3.99 2.02 0.04 -1.67 118.70 129.04 2wdl s GLU 93 Ca -0.03 0.54 0.07 0.00 0.02 0.00 0.00 54.97 55.56 2wdl s GLU 93 Cb -0.12 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 2wdl s GLU 93 CO -0.04 -0.41 0.30 -0.51 0.02 0.00 0.00 175.26 174.62 2wdl s LEU 94 N 2.50 3.75 -0.30 1.80 1.43 -1.13 0.69 118.68 127.42 2wdl s LEU 94 Ca 0.26 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2wdl s LEU 94 Cb -0.15 -2.37 0.10 0.00 0.03 0.00 0.00 46.19 43.79 2wdl s LEU 94 CO 0.08 -0.28 0.11 -0.22 0.23 0.00 0.00 176.35 176.28 2wdl s LEU 95 N -3.99 1.56 -0.00 1.79 0.20 0.52 -4.31 118.68 114.45 2wdl s LEU 95 Ca 0.39 -1.51 -0.35 0.00 0.69 0.00 0.00 54.13 53.35 2wdl s LEU 95 Cb -0.07 -0.66 -0.14 0.00 -0.43 0.00 0.00 46.19 44.89 2wdl s LEU 95 CO 0.27 -0.42 1.67 -0.38 -0.29 0.00 0.00 176.35 177.20 2wdl n ILE 96 N 5.00 0.25 0.00 6.68 2.08 -1.26 -1.76 119.36 130.35 2wdl n ILE 96 Ca -0.03 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.23 2wdl n ILE 96 Cb 0.42 -1.50 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 2wdl n ILE 96 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2wdl n LYS 97 N 4.72 0.00 -3.93 0.38 4.76 0.89 -3.59 118.16 121.39 2wdl n LYS 97 Ca 0.21 0.12 -0.10 0.00 -2.87 0.00 0.00 58.31 55.66 2wdl n LYS 97 Cb 0.25 -0.57 -0.12 0.00 -1.84 0.00 0.00 35.03 32.76 2wdl n LYS 97 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2wdl s GLU 98 N -0.87 0.22 -0.80 1.97 -1.05 -1.09 -4.66 118.70 112.42 2wdl s GLU 98 Ca 0.00 -0.36 -0.01 0.00 -0.15 0.00 0.00 54.97 54.45 2wdl s GLU 98 Cb 0.00 0.08 0.36 0.00 -0.44 0.00 0.00 34.13 34.13 2wdl s GLU 98 CO 0.00 -0.04 1.93 0.44 0.95 0.00 0.00 175.26 178.55 2wdl n ILE 99 N 2.14 3.47 -1.71 1.83 -0.00 -1.26 -0.54 119.36 123.29 2wdl n ILE 99 Ca -0.19 -4.30 -0.41 0.00 -0.00 0.00 0.00 62.75 57.84 2wdl n ILE 99 Cb 0.57 -1.24 -0.03 0.00 -0.00 0.00 0.00 39.64 38.94 2wdl n ILE 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wdl s ARG 100 N -4.01 2.94 0.00 6.28 1.70 -1.15 -4.85 118.95 119.86 2wdl s ARG 100 Ca 0.52 1.69 0.00 0.00 -0.47 0.00 0.00 55.73 57.47 2wdl s ARG 100 Cb 0.44 -4.38 0.00 0.00 -0.57 0.00 0.00 34.95 30.44 2wdl s ARG 100 CO -0.38 -2.32 0.41 0.41 -1.08 0.00 0.00 175.30 172.34