#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 n LEU 2 N 0.00 0.00 -4.04 -0.89 7.94 -1.26 -4.53 117.00 114.22 2wh2 n LEU 2 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2wh2 n LEU 2 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 2wh2 n LEU 2 CO 0.00 0.00 -0.36 0.00 -1.11 0.00 0.00 177.39 175.92 2wh2 s MET 3 N -0.02 0.48 1.19 1.96 0.23 -1.26 -4.63 119.30 117.25 2wh2 s MET 3 Ca 0.00 -0.95 -0.13 0.00 -1.03 0.00 0.00 55.69 53.57 2wh2 s MET 3 Cb 0.00 0.17 0.29 0.00 -1.53 0.00 0.00 34.83 33.75 2wh2 s MET 3 CO 0.00 -0.08 0.92 -0.35 -2.03 0.00 0.00 175.02 173.48 2wh2 n PRO 4 N 0.76 -2.56 -0.29 3.16 -0.04 -1.26 -4.96 135.00 129.81 2wh2 n PRO 4 Ca -0.18 -0.72 0.08 0.00 -0.04 0.00 0.00 63.50 62.64 2wh2 n PRO 4 Cb 0.58 -2.11 0.17 0.00 -0.04 0.00 0.00 33.50 32.10 2wh2 n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2wh2 n ARG 5 N -4.78 1.56 0.00 0.54 0.63 -1.26 -5.01 116.66 108.33 2wh2 n ARG 5 Ca 0.02 -2.84 0.00 0.00 -0.92 0.00 0.00 57.85 54.12 2wh2 n ARG 5 Cb 0.55 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.87 2wh2 n ARG 5 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wh2 n ARG 6 N -1.25 0.00 -0.09 -0.14 5.12 -1.26 -5.16 116.66 113.88 2wh2 n ARG 6 Ca 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2wh2 n ARG 6 Cb 0.70 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.00 2wh2 n ARG 6 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 2wh2 n MET 7 N 0.00 -0.26 0.14 5.56 0.00 -1.26 -4.82 117.12 116.49 2wh2 n MET 7 Ca 0.00 0.19 0.02 0.00 -0.00 0.00 0.00 57.70 57.92 2wh2 n MET 7 Cb 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 33.22 33.07 2wh2 n MET 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2wh2 h LYS 8 N 0.06 0.00 -4.60 2.12 1.57 -2.02 -3.44 116.57 110.26 2wh2 h LYS 8 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2wh2 h LYS 8 Cb 0.02 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.00 2wh2 h LYS 8 CO 0.00 0.52 -0.82 0.71 -0.57 0.00 0.00 179.45 179.29 2wh2 s TYR 9 N -3.07 1.54 0.35 -1.35 1.51 -1.26 -5.05 117.35 110.02 2wh2 s TYR 9 Ca 0.03 -0.58 0.09 0.00 -1.01 0.00 0.00 57.07 55.60 2wh2 s TYR 9 Cb 0.08 -1.12 0.63 0.00 -0.11 0.00 0.00 41.96 41.45 2wh2 s TYR 9 CO 0.74 -0.29 1.81 0.07 -1.11 0.00 0.00 175.55 176.76 2wh2 h ARG 10 N 6.98 0.18 -5.55 -0.62 0.11 -1.92 -3.43 114.38 110.13 2wh2 h ARG 10 Ca -0.30 -0.07 -0.53 0.00 0.10 0.00 0.00 59.98 59.19 2wh2 h ARG 10 Cb 1.19 -0.01 -0.29 0.00 1.11 0.00 0.00 29.97 31.97 2wh2 h ARG 10 CO 0.47 0.47 -0.83 0.15 0.10 0.00 0.00 179.97 180.34 2wh2 s LYS 11 N -4.37 1.32 0.05 0.08 1.02 -1.26 -4.81 119.74 111.78 2wh2 s LYS 11 Ca -0.04 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.36 2wh2 s LYS 11 Cb 0.14 -1.28 -0.03 0.00 -0.52 0.00 0.00 37.83 36.14 2wh2 s LYS 11 CO 0.75 0.35 -0.07 1.14 -0.92 0.00 0.00 175.35 176.60 2wh2 s GLN 12 N -0.43 0.59 0.69 1.68 -2.07 -1.26 -5.08 119.66 113.78 2wh2 s GLN 12 Ca 0.06 -0.92 -0.16 0.00 -1.82 0.00 0.00 55.36 52.52 2wh2 s GLN 12 Cb -0.06 -0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 31.64 2wh2 s GLN 12 CO -0.00 0.01 0.84 1.04 -1.32 0.00 0.00 175.29 175.86 2wh2 n GLN 13 N 1.00 0.53 0.17 9.60 6.02 -1.26 -4.90 117.38 128.55 2wh2 n GLN 13 Ca -0.20 0.23 0.06 0.00 -0.01 0.00 0.00 57.00 57.08 2wh2 n GLN 13 Cb 0.57 -2.09 0.54 0.00 1.02 0.00 0.00 30.24 30.27 2wh2 n GLN 13 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2wh2 h ARG 14 N -0.12 0.16 0.00 -1.09 2.43 -2.01 -3.49 114.38 110.26 2wh2 h ARG 14 Ca -0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2wh2 h ARG 14 Cb 1.35 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2wh2 h ARG 14 CO 0.47 0.16 0.00 0.41 -1.51 0.00 0.00 179.97 179.50 2wh2 n GLY 15 N -1.37 -0.45 3.17 2.80 0.00 -1.26 -4.96 105.19 103.11 2wh2 n GLY 15 Ca -0.01 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 2wh2 n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wh2 s ARG 16 N 0.00 0.78 -0.65 1.61 3.52 -1.26 -5.13 118.95 117.82 2wh2 s ARG 16 Ca 0.00 -1.06 0.02 0.00 -0.13 0.00 0.00 55.73 54.56 2wh2 s ARG 16 Cb 0.00 0.30 0.16 0.00 -1.56 0.00 0.00 34.95 33.85 2wh2 s ARG 16 CO 0.00 -0.22 0.45 -0.51 -0.81 0.00 0.00 175.30 174.21 2wh2 s LEU 17 N -2.89 4.86 -0.45 -0.88 1.43 -1.26 -5.05 118.68 114.45 2wh2 s LEU 17 Ca 0.06 -3.32 -0.20 0.00 -1.03 0.00 0.00 54.13 49.64 2wh2 s LEU 17 Cb 0.06 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.57 2wh2 s LEU 17 CO -0.10 -0.22 0.60 -0.54 0.23 0.00 0.00 176.35 176.33 2wh2 s LYS 18 N -0.73 3.22 0.14 1.70 1.02 -1.26 -5.03 119.74 118.80 2wh2 s LYS 18 Ca 0.21 -0.52 -0.04 0.00 0.02 0.00 0.00 55.97 55.64 2wh2 s LYS 18 Cb -0.16 -3.98 -0.03 0.00 -0.52 0.00 0.00 37.83 33.15 2wh2 s LYS 18 CO -0.07 -1.01 -0.20 0.41 -0.92 0.00 0.00 175.35 173.55 2wh2 n GLY 19 N 5.07 -0.41 1.53 -3.33 0.00 -1.26 -4.89 105.19 101.90 2wh2 n GLY 19 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2wh2 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh2 n ALA 20 N -0.51 -2.43 -0.92 4.61 0.00 -1.26 -4.93 120.51 115.07 2wh2 n ALA 20 Ca -0.00 0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.40 2wh2 n ALA 20 Cb 0.10 -1.01 0.14 0.00 0.00 0.00 0.00 19.45 18.68 2wh2 n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wh2 s THR 21 N -0.32 2.25 -0.36 0.00 2.01 -0.83 -4.84 115.64 113.55 2wh2 s THR 21 Ca 0.00 0.09 0.22 0.00 0.31 0.00 0.00 61.69 62.32 2wh2 s THR 21 Cb 0.00 -2.30 0.22 0.00 0.01 0.00 0.00 72.50 70.43 2wh2 s THR 21 CO 0.00 -0.10 1.42 0.50 -0.69 0.00 0.00 174.62 175.75 2wh2 h LYS 22 N -1.41 0.00 0.00 4.92 3.64 -1.93 -3.48 116.57 118.31 2wh2 h LYS 22 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2wh2 h LYS 22 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2wh2 h LYS 22 CO 0.45 0.02 0.00 0.41 -2.27 0.00 0.00 179.45 178.06 2wh2 n GLY 23 N 1.13 0.55 1.24 5.01 0.00 -1.26 -5.03 105.19 106.83 2wh2 n GLY 23 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2wh2 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh2 n GLY 24 N -0.32 0.91 0.08 -0.02 0.00 -1.26 -4.84 105.19 99.75 2wh2 n GLY 24 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 2wh2 n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2wh2 h ASP 25 N 0.00 0.00 -2.63 1.61 -0.00 -1.93 0.15 116.42 113.62 2wh2 h ASP 25 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 57.03 56.49 2wh2 h ASP 25 Cb 0.75 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.06 2wh2 h ASP 25 CO 0.00 0.87 -0.43 -0.72 -0.00 0.00 0.00 179.24 178.96 2wh2 s TYR 26 N -2.71 3.49 -0.47 4.15 -0.85 -1.26 -4.67 117.35 115.02 2wh2 s TYR 26 Ca -0.03 0.18 -0.20 0.00 -0.52 0.00 0.00 57.07 56.49 2wh2 s TYR 26 Cb 0.08 -1.72 0.04 0.00 0.38 0.00 0.00 41.96 40.75 2wh2 s TYR 26 CO 0.82 0.48 0.63 0.54 -1.52 0.00 0.00 175.55 176.50 2wh2 s VAL 27 N -1.78 4.85 -0.24 -3.49 0.11 -1.26 -4.88 120.40 113.71 2wh2 s VAL 27 Ca 0.36 -0.19 0.12 0.00 -2.93 0.00 0.00 61.98 59.34 2wh2 s VAL 27 Cb -0.11 -4.25 0.52 0.00 -1.53 0.00 0.00 36.38 31.01 2wh2 s VAL 27 CO 0.29 -0.70 1.46 0.00 -3.33 0.00 0.00 175.10 172.82 2wh2 n ALA 28 N 6.22 3.73 -0.35 1.54 0.00 -1.26 -4.85 120.51 125.54 2wh2 n ALA 28 Ca -0.04 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.65 2wh2 n ALA 28 Cb 0.47 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2wh2 n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wh2 n PHE 29 N -0.86 0.00 -2.58 0.00 3.01 -1.26 -5.15 117.46 110.62 2wh2 n PHE 29 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.75 2wh2 n PHE 29 Cb 0.99 0.20 0.00 0.00 -0.01 0.00 0.00 39.48 40.67 2wh2 n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wh2 n GLY 30 N 2.20 1.55 0.06 1.37 0.00 -1.26 -5.03 105.19 104.07 2wh2 n GLY 30 Ca 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.94 2wh2 n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wh2 h ASP 31 N 0.00 -0.10 -2.93 1.61 3.32 -1.60 -3.44 116.42 113.28 2wh2 h ASP 31 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2wh2 h ASP 31 Cb 0.00 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.49 2wh2 h ASP 31 CO 0.00 0.03 -0.60 -0.31 -1.72 0.00 0.00 179.24 176.64 2wh2 s TYR 32 N -1.96 3.09 0.28 4.55 1.51 -1.15 -2.25 117.35 121.43 2wh2 s TYR 32 Ca -0.02 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 2wh2 s TYR 32 Cb 0.00 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.31 2wh2 s TYR 32 CO 0.05 0.51 0.29 0.20 -1.11 0.00 0.00 175.55 175.49 2wh2 s GLY 33 N -2.80 1.67 -0.12 0.71 0.00 -0.08 -0.47 107.32 106.24 2wh2 s GLY 33 Ca 0.29 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.33 2wh2 s GLY 33 CO 0.22 -1.26 -0.20 -2.27 0.00 0.00 0.00 173.10 169.58 2wh2 s LEU 34 N -3.24 1.96 -0.02 0.66 2.96 0.51 -2.06 118.68 119.45 2wh2 s LEU 34 Ca 0.36 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 2wh2 s LEU 34 Cb 0.03 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 2wh2 s LEU 34 CO 0.19 0.07 -0.24 0.54 -1.32 0.00 0.00 176.35 175.59 2wh2 s VAL 35 N 0.79 2.22 0.18 1.68 0.11 -0.13 -0.34 120.40 124.91 2wh2 s VAL 35 Ca -0.09 -1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 57.61 2wh2 s VAL 35 Cb -0.16 -1.78 -0.07 0.00 -1.53 0.00 0.00 36.38 32.84 2wh2 s VAL 35 CO 0.00 0.58 0.95 0.00 -3.33 0.00 0.00 175.10 173.31 2wh2 s ALA 36 N -0.63 3.30 -0.24 1.54 0.00 -0.19 -0.66 121.76 124.87 2wh2 s ALA 36 Ca 0.10 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.72 2wh2 s ALA 36 Cb -0.10 -3.25 -0.19 0.00 0.00 0.00 0.00 23.12 19.58 2wh2 s ALA 36 CO -0.01 0.09 -0.15 1.28 0.00 0.00 0.00 175.76 176.98 2wh2 n LEU 37 N 2.12 2.25 -4.45 0.00 4.77 0.02 -0.13 117.00 121.57 2wh2 n LEU 37 Ca 0.00 -0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.57 2wh2 n LEU 37 Cb 0.48 -0.57 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 2wh2 n LEU 37 CO 0.51 0.83 -0.49 -1.83 -1.33 0.00 0.00 177.39 175.07 2wh2 s GLU 38 N -2.51 2.09 0.62 3.23 -1.05 -1.25 -4.44 118.70 115.39 2wh2 s GLU 38 Ca -0.29 -0.97 -0.18 0.00 -0.15 0.00 0.00 54.97 53.38 2wh2 s GLU 38 Cb 0.08 -2.19 -0.02 0.00 -0.44 0.00 0.00 34.13 31.56 2wh2 s GLU 38 CO 0.66 0.54 1.25 -1.25 0.95 0.00 0.00 175.26 177.41 2wh2 s PRO 39 N -1.35 2.78 0.00 -4.83 0.04 -1.26 -4.58 135.00 125.80 2wh2 s PRO 39 Ca 0.14 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2wh2 s PRO 39 Cb -0.10 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2wh2 s PRO 39 CO 0.05 -1.39 0.00 0.00 0.04 0.00 0.00 177.00 175.70 2wh2 n ALA 40 N -1.73 0.00 -2.56 8.56 0.00 0.53 -5.00 120.51 120.30 2wh2 n ALA 40 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 2wh2 n ALA 40 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 2wh2 n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wh2 s TRP 41 N -2.00 3.22 0.08 0.00 0.51 -1.26 -1.03 118.94 118.46 2wh2 s TRP 41 Ca 0.00 0.06 -0.16 0.00 -2.12 0.00 0.00 56.10 53.88 2wh2 s TRP 41 Cb 0.00 -2.54 -0.06 0.00 -0.81 0.00 0.00 33.47 30.06 2wh2 s TRP 41 CO 0.00 -0.31 0.51 0.42 -0.51 0.00 0.00 176.95 177.06 2wh2 s ILE 42 N 1.91 4.87 0.40 2.03 1.09 0.16 -4.83 121.20 126.83 2wh2 s ILE 42 Ca 0.10 0.96 -0.06 0.00 -1.10 0.00 0.00 60.65 60.55 2wh2 s ILE 42 Cb -0.16 -3.79 -0.05 0.00 -1.06 0.00 0.00 42.46 37.40 2wh2 s ILE 42 CO 0.11 0.45 0.71 0.42 -0.10 0.00 0.00 174.94 176.53 2wh2 s THR 43 N -1.23 4.92 0.18 2.92 -4.23 -1.26 0.33 115.64 117.27 2wh2 s THR 43 Ca 0.31 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.91 2wh2 s THR 43 Cb -0.17 -3.80 0.08 0.00 1.34 0.00 0.00 72.50 69.95 2wh2 s THR 43 CO 0.18 -0.61 1.82 0.00 -0.54 0.00 0.00 174.62 175.47 2wh2 h ALA 44 N 0.89 0.71 -0.71 3.99 0.00 -1.32 -1.00 119.26 121.81 2wh2 h ALA 44 Ca -0.47 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.50 2wh2 h ALA 44 Cb 1.20 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2wh2 h ALA 44 CO 0.63 0.05 0.47 -0.56 0.00 0.00 0.00 179.25 179.84 2wh2 h GLN 45 N 0.66 0.65 -0.01 0.00 -0.00 -1.84 -2.28 115.11 112.30 2wh2 h GLN 45 Ca 0.22 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.79 2wh2 h GLN 45 Cb 0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 27.48 27.35 2wh2 h GLN 45 CO -0.09 0.43 -0.15 1.96 -0.00 0.00 0.00 178.83 180.98 2wh2 h GLN 46 N 0.67 0.12 -0.05 0.06 4.20 -1.62 -1.33 115.11 117.16 2wh2 h GLN 46 Ca 0.32 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.94 2wh2 h GLN 46 Cb 0.36 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 2wh2 h GLN 46 CO -0.11 0.82 -0.49 0.82 -0.67 0.00 0.00 178.83 179.21 2wh2 h ILE 47 N -0.53 0.06 0.28 2.54 2.04 -0.97 -2.25 117.51 118.67 2wh2 h ILE 47 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2wh2 h ILE 47 Cb 0.87 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2wh2 h ILE 47 CO 0.03 0.00 -0.46 -0.08 0.00 0.00 0.00 178.15 177.64 2wh2 h GLU 48 N -0.60 -0.78 0.00 2.37 4.57 -1.51 -1.20 114.58 117.44 2wh2 h GLU 48 Ca 0.04 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2wh2 h GLU 48 Cb 0.69 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2wh2 h GLU 48 CO -0.38 -0.52 0.05 0.00 -1.18 0.00 0.00 179.01 176.98 2wh2 n ALA 49 N -2.83 0.82 -0.01 2.92 0.00 -0.50 0.55 120.51 121.46 2wh2 n ALA 49 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 2wh2 n ALA 49 Cb 0.41 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 2wh2 n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 n ALA 50 N -0.92 1.96 -0.17 0.00 0.00 -0.68 -3.95 120.51 116.76 2wh2 n ALA 50 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 2wh2 n ALA 50 Cb 0.05 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2wh2 n ALA 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wh2 h ARG 51 N 0.00 0.95 -0.01 0.00 2.43 0.12 -1.00 114.38 116.88 2wh2 h ARG 51 Ca -0.08 -0.37 -0.04 0.00 -0.81 0.00 0.00 59.98 58.69 2wh2 h ARG 51 Cb 0.99 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2wh2 h ARG 51 CO 0.00 1.03 -0.13 -0.39 -1.51 0.00 0.00 179.97 178.97 2wh2 h VAL 52 N 0.80 1.54 -1.04 0.20 -1.51 -1.56 -2.52 116.25 112.16 2wh2 h VAL 52 Ca 0.12 -1.78 0.36 0.00 -1.23 0.00 0.00 66.70 64.18 2wh2 h VAL 52 Cb 0.69 2.67 -0.15 0.00 -2.13 0.00 0.00 31.29 32.37 2wh2 h VAL 52 CO 0.05 0.48 0.60 0.00 -1.23 0.00 0.00 177.57 177.47 2wh2 h ALA 53 N 0.30 2.11 0.04 5.19 0.00 -1.66 0.58 119.26 125.82 2wh2 h ALA 53 Ca -0.01 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wh2 h ALA 53 Cb 0.85 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wh2 h ALA 53 CO 0.03 -0.77 -0.02 1.98 0.00 0.00 0.00 179.25 180.46 2wh2 h MET 54 N 0.21 -0.05 0.03 0.00 -1.53 -1.05 -2.68 114.93 109.85 2wh2 h MET 54 Ca 0.77 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 57.04 2wh2 h MET 54 Cb 1.94 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.99 2wh2 h MET 54 CO -0.62 -0.04 -0.11 -0.39 0.14 0.00 0.00 176.91 175.89 2wh2 h VAL 55 N -0.06 0.00 -0.60 -5.77 -1.51 -0.73 -1.64 116.25 105.94 2wh2 h VAL 55 Ca -0.01 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 65.65 2wh2 h VAL 55 Cb 0.04 0.00 -0.11 0.00 -2.13 0.00 0.00 31.29 29.09 2wh2 h VAL 55 CO 0.01 0.00 0.09 -1.14 -1.23 0.00 0.00 177.57 175.30 2wh2 n ARG 56 N -3.07 -0.04 0.37 5.19 3.00 0.06 0.13 116.66 122.29 2wh2 n ARG 56 Ca -0.02 0.88 -0.17 0.00 -0.00 0.00 0.00 57.85 58.54 2wh2 n ARG 56 Cb 0.09 -1.44 -0.09 0.00 0.00 0.00 0.00 32.46 31.02 2wh2 n ARG 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2wh2 h HIS 57 N 0.00 -1.14 -2.90 -0.14 2.76 -0.94 -3.16 115.15 109.63 2wh2 h HIS 57 Ca 0.40 -0.01 -0.76 0.00 -2.20 0.00 0.00 60.37 57.80 2wh2 h HIS 57 Cb 0.91 0.41 -0.31 0.00 1.55 0.00 0.00 27.41 29.96 2wh2 h HIS 57 CO -0.23 -0.64 0.45 1.97 -1.30 0.00 0.00 177.93 178.19 2wh2 n PHE 58 N -5.12 2.98 -1.62 5.26 1.16 0.34 -5.04 117.46 115.42 2wh2 n PHE 58 Ca -0.13 -3.12 -0.48 0.00 -1.87 0.00 0.00 57.45 51.86 2wh2 n PHE 58 Cb 0.44 -1.18 -0.04 0.00 -1.61 0.00 0.00 39.48 37.09 2wh2 n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wh2 n ARG 59 N 1.46 1.57 -3.48 3.97 1.85 -0.60 -3.10 116.66 118.34 2wh2 n ARG 59 Ca 0.26 0.56 -0.23 0.00 -1.00 0.00 0.00 57.85 57.45 2wh2 n ARG 59 Cb 0.35 -2.17 0.05 0.00 -1.05 0.00 0.00 32.46 29.64 2wh2 n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wh2 n ARG 60 N 2.20 -1.58 0.00 2.89 1.74 -1.26 -5.00 116.66 115.65 2wh2 n ARG 60 Ca 0.15 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 2wh2 n ARG 60 Cb 0.26 -4.78 0.00 0.00 -1.02 0.00 0.00 32.46 26.93 2wh2 n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh2 n GLY 61 N -1.54 5.53 0.00 -0.13 0.00 -1.18 -5.17 105.19 102.70 2wh2 n GLY 61 Ca -0.09 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2wh2 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh2 n GLY 62 N 1.23 -1.32 3.05 -0.02 0.00 -1.23 -5.03 105.19 101.88 2wh2 n GLY 62 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 2wh2 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wh2 s LYS 63 N 0.00 1.21 -0.14 1.61 2.20 -0.36 -4.98 119.74 119.29 2wh2 s LYS 63 Ca 0.00 -0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 2wh2 s LYS 63 Cb 0.00 -1.10 -0.03 0.00 -1.51 0.00 0.00 37.83 35.18 2wh2 s LYS 63 CO 0.00 0.17 0.01 0.42 -0.36 0.00 0.00 175.35 175.59 2wh2 s ILE 64 N 0.08 4.30 -0.24 5.43 1.01 -1.26 -0.49 121.20 130.02 2wh2 s ILE 64 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 2wh2 s ILE 64 Cb -0.09 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.51 2wh2 s ILE 64 CO 0.01 0.53 -0.03 -0.36 0.00 0.00 0.00 174.94 175.09 2wh2 s PHE 65 N -0.09 3.02 -0.35 3.97 0.08 0.92 -5.01 117.98 120.52 2wh2 s PHE 65 Ca 0.04 -1.14 -0.13 0.00 0.12 0.00 0.00 56.93 55.82 2wh2 s PHE 65 Cb -0.13 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 2wh2 s PHE 65 CO 0.02 -0.61 0.26 0.96 -0.10 0.00 0.00 175.22 175.75 2wh2 s ILE 66 N 1.43 5.27 -0.23 0.64 -4.36 -1.26 -1.98 121.20 120.71 2wh2 s ILE 66 Ca 0.03 -0.25 0.14 0.00 -0.26 0.00 0.00 60.65 60.32 2wh2 s ILE 66 Cb -0.15 -3.76 0.65 0.00 1.25 0.00 0.00 42.46 40.45 2wh2 s ILE 66 CO -0.03 -0.06 1.59 0.54 0.24 0.00 0.00 174.94 177.22 2wh2 n ARG 67 N 5.14 3.52 -4.42 0.37 1.74 0.16 -4.92 116.66 118.26 2wh2 n ARG 67 Ca -0.12 -3.01 -0.20 0.00 -0.77 0.00 0.00 57.85 53.75 2wh2 n ARG 67 Cb 0.49 -2.03 -0.14 0.00 -1.02 0.00 0.00 32.46 29.76 2wh2 n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2wh2 s ILE 68 N -2.89 0.89 -0.10 0.55 -4.36 -1.25 -4.89 121.20 109.15 2wh2 s ILE 68 Ca 0.48 -0.61 -0.02 0.00 -0.26 0.00 0.00 60.65 60.25 2wh2 s ILE 68 Cb 0.39 -0.77 0.03 0.00 1.25 0.00 0.00 42.46 43.36 2wh2 s ILE 68 CO 0.11 0.16 0.00 0.12 0.24 0.00 0.00 174.94 175.57 2wh2 s PHE 69 N -0.44 0.80 -0.70 1.37 5.36 -1.26 -5.08 117.98 118.03 2wh2 s PHE 69 Ca 0.03 -0.34 -0.26 0.00 -0.96 0.00 0.00 56.93 55.40 2wh2 s PHE 69 Cb -0.05 -0.88 -0.07 0.00 -0.34 0.00 0.00 43.02 41.68 2wh2 s PHE 69 CO -0.00 -0.40 2.15 -1.25 -1.46 0.00 0.00 175.22 174.27 2wh2 s PRO 70 N 1.93 2.22 -0.11 10.12 0.04 -1.26 -4.65 135.00 143.29 2wh2 s PRO 70 Ca 0.04 0.56 0.17 0.00 0.04 0.00 0.00 61.00 61.80 2wh2 s PRO 70 Cb -0.13 -4.70 0.26 0.00 0.04 0.00 0.00 34.50 29.96 2wh2 s PRO 70 CO -0.06 -3.45 1.13 -0.40 0.04 0.00 0.00 177.00 174.26 2wh2 n ASP 71 N 15.31 2.24 -4.36 6.66 5.68 -1.04 -4.24 116.55 136.81 2wh2 n ASP 71 Ca 0.36 -2.96 -0.36 0.00 -0.50 0.00 0.00 54.79 51.34 2wh2 n ASP 71 Cb 0.49 -0.38 -0.13 0.00 -1.14 0.00 0.00 41.12 39.96 2wh2 n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2wh2 s LYS 72 N -2.62 3.43 -0.05 0.11 2.20 -0.79 -4.99 119.74 117.03 2wh2 s LYS 72 Ca 0.28 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 2wh2 s LYS 72 Cb 0.25 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.37 2wh2 s LYS 72 CO 0.03 -0.22 1.47 -2.14 -0.36 0.00 0.00 175.35 174.12 2wh2 s PRO 73 N 1.52 4.23 -0.18 4.03 0.02 -1.26 -1.32 135.00 142.05 2wh2 s PRO 73 Ca 0.06 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.96 2wh2 s PRO 73 Cb -0.15 -3.75 -0.05 0.00 0.02 0.00 0.00 34.50 30.57 2wh2 s PRO 73 CO -0.01 -0.70 0.17 -0.47 -0.33 0.00 0.00 177.00 175.67 2wh2 s TYR 74 N 3.19 3.45 0.36 6.54 5.04 -0.91 -4.55 117.35 130.47 2wh2 s TYR 74 Ca 0.65 0.43 0.08 0.00 -2.44 0.00 0.00 57.07 55.80 2wh2 s TYR 74 Cb -0.30 -2.17 -0.06 0.00 0.35 0.00 0.00 41.96 39.78 2wh2 s TYR 74 CO 0.25 0.34 0.05 0.95 -1.34 0.00 0.00 175.55 175.81 2wh2 s THR 75 N 0.17 2.53 -0.28 4.34 -4.23 -1.26 0.10 115.64 117.01 2wh2 s THR 75 Ca 0.11 -1.90 -0.19 0.00 -1.18 0.00 0.00 61.69 58.53 2wh2 s THR 75 Cb -0.12 -2.87 0.12 0.00 1.34 0.00 0.00 72.50 70.98 2wh2 s THR 75 CO 0.00 -0.14 0.92 -0.75 -0.54 0.00 0.00 174.62 174.12 2wh2 s LYS 76 N -3.76 0.50 0.30 3.99 2.20 -0.54 -4.80 119.74 117.63 2wh2 s LYS 76 Ca 0.36 0.77 -0.28 0.00 -0.36 0.00 0.00 55.97 56.46 2wh2 s LYS 76 Cb 0.01 0.15 -0.09 0.00 -1.51 0.00 0.00 37.83 36.39 2wh2 s LYS 76 CO 0.20 -0.09 1.05 0.15 -0.36 0.00 0.00 175.35 176.31 2wh2 s LYS 77 N 1.03 4.58 1.08 4.03 1.02 -1.26 -3.43 119.74 126.79 2wh2 s LYS 77 Ca -0.05 1.67 -0.22 0.00 0.02 0.00 0.00 55.97 57.39 2wh2 s LYS 77 Cb -0.04 -3.06 -0.00 0.00 -0.52 0.00 0.00 37.83 34.20 2wh2 s LYS 77 CO -0.13 0.20 -0.55 -2.30 -0.92 0.00 0.00 175.35 171.66 2wh2 n PRO 78 N 0.97 -1.02 -3.01 -1.68 -0.02 -1.26 -4.93 135.00 124.06 2wh2 n PRO 78 Ca 0.00 -0.29 -0.36 0.00 -2.02 0.00 0.00 63.50 60.84 2wh2 n PRO 78 Cb 0.46 -1.45 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 2wh2 n PRO 78 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wh2 s LEU 79 N 2.06 4.28 -0.22 2.45 0.20 -1.26 -3.94 118.68 122.26 2wh2 s LEU 79 Ca 0.49 1.52 0.00 0.00 0.69 0.00 0.00 54.13 56.83 2wh2 s LEU 79 Cb -0.04 -3.81 0.00 0.00 -0.43 0.00 0.00 46.19 41.91 2wh2 s LEU 79 CO 0.66 -0.04 0.00 -0.62 -0.29 0.00 0.00 176.35 176.06 2wh2 n GLU 80 N 0.47 -1.13 -3.91 1.98 1.02 -1.26 -5.00 120.64 112.81 2wh2 n GLU 80 Ca -0.00 0.40 -0.33 0.00 -0.02 0.00 0.00 57.16 57.21 2wh2 n GLU 80 Cb 0.51 -4.31 -0.05 0.00 -0.02 0.00 0.00 31.44 27.57 2wh2 n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wh2 s VAL 81 N -1.58 5.43 0.42 2.62 0.11 -1.25 -5.10 120.40 121.04 2wh2 s VAL 81 Ca 0.00 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 2wh2 s VAL 81 Cb 0.00 -3.53 -0.01 0.00 -1.53 0.00 0.00 36.38 31.31 2wh2 s VAL 81 CO 0.00 0.34 0.63 0.00 -3.33 0.00 0.00 175.10 172.73 2wh2 s ARG 82 N -1.90 3.20 0.55 1.54 1.70 -1.26 -4.96 118.95 117.82 2wh2 s ARG 82 Ca 0.27 -0.45 -0.18 0.00 -0.47 0.00 0.00 55.73 54.90 2wh2 s ARG 82 Cb -0.13 -2.60 -0.10 0.00 -0.57 0.00 0.00 34.95 31.56 2wh2 s ARG 82 CO 0.18 -0.13 0.43 -1.33 -1.08 0.00 0.00 175.30 173.37 2wh2 n MET 83 N -1.98 0.44 0.00 3.89 2.81 -1.26 -4.77 117.12 116.25 2wh2 n MET 83 Ca -0.01 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2wh2 n MET 83 Cb 0.57 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 2wh2 n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wh2 n GLY 84 N 1.89 -1.12 3.68 3.03 0.00 -1.26 -5.02 105.19 106.39 2wh2 n GLY 84 Ca 0.11 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 2wh2 n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh2 n LYS 85 N 0.00 -5.47 0.00 1.61 4.76 -1.26 -4.77 118.16 113.03 2wh2 n LYS 85 Ca 0.00 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 2wh2 n LYS 85 Cb 0.00 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 27.81 2wh2 n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh2 n GLY 86 N -1.55 -1.98 3.77 0.72 0.00 -1.26 -4.95 105.19 99.94 2wh2 n GLY 86 Ca -0.23 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 2wh2 n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wh2 s LYS 87 N -2.62 4.44 1.17 1.61 2.20 -1.26 -5.02 119.74 120.26 2wh2 s LYS 87 Ca 0.00 1.62 -0.17 0.00 -0.36 0.00 0.00 55.97 57.06 2wh2 s LYS 87 Cb 0.00 -2.88 0.20 0.00 -1.51 0.00 0.00 37.83 33.64 2wh2 s LYS 87 CO 0.00 0.08 0.38 0.41 -0.36 0.00 0.00 175.35 175.86 2wh2 n GLY 88 N 0.80 -2.61 3.97 5.54 0.00 -1.26 -5.00 105.19 106.62 2wh2 n GLY 88 Ca 0.02 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 2wh2 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s ASN 89 N -2.13 6.25 0.35 1.61 2.20 -1.22 -4.70 114.94 117.29 2wh2 s ASN 89 Ca 0.57 0.09 -0.28 0.00 -0.94 0.00 0.00 52.86 52.30 2wh2 s ASN 89 Cb -0.14 -1.78 -0.12 0.00 -2.00 0.00 0.00 41.25 37.22 2wh2 s ASN 89 CO 0.59 -0.18 1.43 0.52 -2.94 0.00 0.00 177.10 176.52 2wh2 n VAL 90 N -1.52 1.80 -0.06 3.54 0.31 -1.26 -1.46 118.33 119.67 2wh2 n VAL 90 Ca -0.07 -0.45 -0.09 0.00 -0.01 0.00 0.00 64.34 63.73 2wh2 n VAL 90 Cb 0.57 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.67 2wh2 n VAL 90 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wh2 n GLU 91 N 0.81 0.41 0.00 5.55 4.07 0.29 -4.82 120.64 126.95 2wh2 n GLU 91 Ca 0.04 0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 2wh2 n GLU 91 Cb 0.37 -1.22 0.00 0.00 -0.06 0.00 0.00 31.44 30.53 2wh2 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wh2 n GLY 92 N 1.90 3.91 3.03 8.31 0.00 -1.18 -5.03 105.19 116.12 2wh2 n GLY 92 Ca -0.14 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2wh2 n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh2 s TYR 93 N 0.13 0.05 0.23 1.61 2.02 -1.26 -2.15 117.35 117.98 2wh2 s TYR 93 Ca 0.00 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.64 2wh2 s TYR 93 Cb 0.00 -0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.45 2wh2 s TYR 93 CO 0.00 -0.18 0.00 0.14 -1.57 0.00 0.00 175.55 173.94 2wh2 s VAL 94 N -0.91 1.02 -0.08 0.71 -7.23 -0.44 -0.88 120.40 112.60 2wh2 s VAL 94 Ca -0.10 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.07 2wh2 s VAL 94 Cb -0.06 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.53 2wh2 s VAL 94 CO 0.00 -0.31 -0.18 0.00 -0.31 0.00 0.00 175.10 174.31 2wh2 s ALA 95 N -3.43 1.68 0.35 1.32 0.00 0.15 -1.88 121.76 119.96 2wh2 s ALA 95 Ca 0.29 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 2wh2 s ALA 95 Cb 0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 23.12 22.41 2wh2 s ALA 95 CO 0.09 0.19 1.15 0.08 0.00 0.00 0.00 175.76 177.27 2wh2 s VAL 96 N 0.52 3.29 -0.15 0.00 1.01 -1.26 -0.66 120.40 123.14 2wh2 s VAL 96 Ca -0.17 1.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.92 2wh2 s VAL 96 Cb -0.17 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.61 2wh2 s VAL 96 CO 0.06 0.17 0.29 -0.69 0.00 0.00 0.00 175.10 174.93 2wh2 s VAL 97 N -1.34 -0.45 0.28 2.92 1.01 -0.20 -4.89 120.40 117.73 2wh2 s VAL 97 Ca 0.52 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.78 2wh2 s VAL 97 Cb -0.31 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2wh2 s VAL 97 CO 0.39 0.06 0.13 -0.54 0.00 0.00 0.00 175.10 175.14 2wh2 s LYS 98 N 2.44 2.58 0.09 2.72 1.02 -1.26 -0.35 119.74 126.98 2wh2 s LYS 98 Ca 0.02 -1.30 -0.36 0.00 0.02 0.00 0.00 55.97 54.36 2wh2 s LYS 98 Cb -0.13 -2.34 -0.15 0.00 -0.52 0.00 0.00 37.83 34.69 2wh2 s LYS 98 CO -0.10 0.30 1.47 -2.30 -0.92 0.00 0.00 175.35 173.80 2wh2 n PRO 99 N -1.10 1.57 0.00 -1.68 -0.02 -1.26 -2.52 135.00 129.98 2wh2 n PRO 99 Ca -0.06 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2wh2 n PRO 99 Cb 0.59 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2wh2 n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh2 n GLY 100 N 3.01 1.35 3.68 -1.23 0.00 0.81 -1.97 105.19 110.84 2wh2 n GLY 100 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wh2 n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wh2 s ARG 101 N -0.73 4.25 -0.68 1.61 6.06 -1.05 -4.22 118.95 124.19 2wh2 s ARG 101 Ca 0.00 1.91 -0.25 0.00 -2.50 0.00 0.00 55.73 54.88 2wh2 s ARG 101 Cb 0.00 -3.71 0.04 0.00 0.06 0.00 0.00 34.95 31.35 2wh2 s ARG 101 CO 0.00 -0.65 1.14 0.08 -2.50 0.00 0.00 175.30 173.37 2wh2 s VAL 102 N 3.01 4.00 -0.04 7.11 1.01 0.54 -1.02 120.40 135.00 2wh2 s VAL 102 Ca 0.63 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 2wh2 s VAL 102 Cb -0.29 -4.80 -0.07 0.00 0.00 0.00 0.00 36.38 31.23 2wh2 s VAL 102 CO 0.24 -1.62 0.56 0.24 0.00 0.00 0.00 175.10 174.51 2wh2 h MET 103 N 9.78 -0.45 -5.89 2.72 0.00 -0.99 -3.43 114.93 116.67 2wh2 h MET 103 Ca -0.28 0.03 -0.57 0.00 0.00 0.00 0.00 59.70 58.88 2wh2 h MET 103 Cb 1.06 0.10 -0.08 0.00 0.00 0.00 0.00 31.60 32.68 2wh2 h MET 103 CO 1.22 -0.30 -0.47 -0.06 0.00 0.00 0.00 176.91 177.31 2wh2 s PHE 104 N -3.07 2.49 -0.29 -0.22 2.99 -1.14 0.38 117.98 119.11 2wh2 s PHE 104 Ca -0.07 -0.62 -0.17 0.00 0.00 0.00 0.00 56.93 56.07 2wh2 s PHE 104 Cb 0.01 -1.96 0.18 0.00 0.00 0.00 0.00 43.02 41.25 2wh2 s PHE 104 CO 0.20 0.10 1.14 -1.83 -0.00 0.00 0.00 175.22 174.84 2wh2 s GLU 105 N -3.96 0.21 0.21 0.44 -1.05 -0.84 -0.37 118.70 113.34 2wh2 s GLU 105 Ca 0.39 0.34 0.02 0.00 -0.15 0.00 0.00 54.97 55.57 2wh2 s GLU 105 Cb 0.03 0.05 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 2wh2 s GLU 105 CO 0.22 -0.04 0.36 0.14 0.95 0.00 0.00 175.26 176.89 2wh2 s VAL 106 N 1.09 5.25 0.02 1.83 -7.23 0.38 -0.06 120.40 121.67 2wh2 s VAL 106 Ca -0.07 -0.61 -0.05 0.00 -1.81 0.00 0.00 61.98 59.44 2wh2 s VAL 106 Cb -0.03 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.13 2wh2 s VAL 106 CO -0.12 -0.22 0.09 0.00 -0.31 0.00 0.00 175.10 174.54 2wh2 s ALA 107 N -1.89 -0.15 -1.00 1.32 0.00 0.35 -1.38 121.76 119.01 2wh2 s ALA 107 Ca 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.96 2wh2 s ALA 107 Cb -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2wh2 s ALA 107 CO 0.30 -0.23 0.84 0.41 0.00 0.00 0.00 175.76 177.08 2wh2 n GLY 108 N 1.29 -0.32 3.37 0.00 0.00 -1.26 -1.22 105.19 107.05 2wh2 n GLY 108 Ca -0.22 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2wh2 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh2 s VAL 109 N -3.31 0.03 0.57 1.61 1.01 -1.26 -3.55 120.40 115.50 2wh2 s VAL 109 Ca 0.05 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 2wh2 s VAL 109 Cb -0.01 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 2wh2 s VAL 109 CO 0.62 -0.16 1.11 0.42 0.00 0.00 0.00 175.10 177.10 2wh2 s THR 110 N -3.32 3.28 0.61 3.92 -4.23 -1.26 -4.80 115.64 109.84 2wh2 s THR 110 Ca -0.00 0.74 0.33 0.00 -1.18 0.00 0.00 61.69 61.57 2wh2 s THR 110 Cb 0.00 -3.27 0.38 0.00 1.34 0.00 0.00 72.50 70.95 2wh2 s THR 110 CO -0.09 -0.23 2.25 1.05 -0.54 0.00 0.00 174.62 177.06 2wh2 h GLU 111 N 0.92 0.00 -0.11 3.99 4.11 -2.01 0.31 114.58 121.79 2wh2 h GLU 111 Ca -0.49 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.94 2wh2 h GLU 111 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2wh2 h GLU 111 CO 0.56 0.00 0.06 1.05 0.07 0.00 0.00 179.01 180.75 2wh2 h GLU 112 N 0.00 0.15 0.00 1.06 4.11 -1.97 -2.04 114.58 115.90 2wh2 h GLU 112 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2wh2 h GLU 112 Cb 0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wh2 h GLU 112 CO -0.00 0.20 -0.17 1.04 0.07 0.00 0.00 179.01 180.15 2wh2 n GLN 113 N -4.95 0.11 -0.02 1.06 6.02 0.60 -4.02 117.38 116.18 2wh2 n GLN 113 Ca -0.05 0.07 -0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2wh2 n GLN 113 Cb 0.08 -1.60 -0.00 0.00 1.02 0.00 0.00 30.24 29.74 2wh2 n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wh2 h ALA 114 N 2.81 0.00 0.00 -1.58 0.00 -0.30 -2.69 119.26 117.50 2wh2 h ALA 114 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wh2 h ALA 114 Cb 0.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2wh2 h ALA 114 CO 0.00 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 2wh2 n MET 115 N -2.88 0.15 0.00 0.00 2.81 -0.79 -1.71 117.12 114.70 2wh2 n MET 115 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2wh2 n MET 115 Cb 0.00 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 2wh2 n MET 115 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wh2 n GLU 116 N 0.89 0.00 0.05 0.03 4.07 -1.25 -4.38 120.64 120.05 2wh2 n GLU 116 Ca 0.00 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.16 2wh2 n GLU 116 Cb 0.07 -0.12 0.29 0.00 -0.06 0.00 0.00 31.44 31.63 2wh2 n GLU 116 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wh2 n ALA 117 N -2.40 1.39 -0.12 4.31 0.00 -0.69 -1.27 120.51 121.73 2wh2 n ALA 117 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 2wh2 n ALA 117 Cb 0.04 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.17 2wh2 n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh2 n LEU 118 N -1.74 2.15 -0.19 0.00 4.77 -0.82 -3.57 117.00 117.60 2wh2 n LEU 118 Ca 0.02 0.27 0.25 0.00 -0.03 0.00 0.00 56.01 56.52 2wh2 n LEU 118 Cb 0.12 -0.89 0.66 0.00 -2.33 0.00 0.00 43.42 40.97 2wh2 n LEU 118 CO 0.10 0.59 1.24 -0.09 -1.33 0.00 0.00 177.39 177.91 2wh2 h ARG 119 N -0.76 0.11 0.01 3.23 2.43 -1.55 0.16 114.38 118.01 2wh2 h ARG 119 Ca -0.58 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.54 2wh2 h ARG 119 Cb 1.62 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 2wh2 h ARG 119 CO -0.29 0.08 -0.14 0.82 -1.51 0.00 0.00 179.97 178.93 2wh2 h ILE 120 N 0.12 1.63 -0.89 1.20 1.08 -1.36 -3.26 117.51 116.03 2wh2 h ILE 120 Ca 0.43 -2.04 0.09 0.00 -0.39 0.00 0.00 64.86 62.95 2wh2 h ILE 120 Cb 1.51 2.97 -0.07 0.00 -3.07 0.00 0.00 36.82 38.17 2wh2 h ILE 120 CO -0.06 0.54 0.54 0.00 -0.69 0.00 0.00 178.15 178.48 2wh2 h ALA 121 N 0.18 1.27 -0.99 1.87 0.00 -1.17 -1.40 119.26 119.02 2wh2 h ALA 121 Ca -0.02 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.12 2wh2 h ALA 121 Cb 0.97 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 2wh2 h ALA 121 CO 0.03 0.22 0.63 0.78 0.00 0.00 0.00 179.25 180.90 2wh2 h GLY 122 N 0.93 1.35 2.00 0.00 0.00 -0.81 0.64 103.07 107.18 2wh2 h GLY 122 Ca 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2wh2 h GLY 122 CO -0.22 -0.08 0.00 1.42 0.00 0.00 0.00 176.54 177.66 2wh2 n HIS 123 N -4.65 0.05 1.15 5.60 -0.00 -0.53 -1.60 115.22 115.24 2wh2 n HIS 123 Ca 0.23 0.02 0.12 0.00 -0.00 0.00 0.00 57.72 58.10 2wh2 n HIS 123 Cb 0.71 -0.53 0.22 0.00 -0.00 0.00 0.00 29.99 30.39 2wh2 n HIS 123 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2wh2 n LYS 124 N -1.55 1.95 -4.27 -0.41 4.76 0.22 -4.91 118.16 113.96 2wh2 n LYS 124 Ca 0.04 -1.49 -0.34 0.00 -2.87 0.00 0.00 58.31 53.65 2wh2 n LYS 124 Cb 0.19 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 31.83 2wh2 n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wh2 s LEU 125 N -2.08 3.65 0.00 -0.35 1.43 -0.63 -4.89 118.68 115.81 2wh2 s LEU 125 Ca 0.29 0.10 0.11 0.00 -1.03 0.00 0.00 54.13 53.60 2wh2 s LEU 125 Cb 0.20 -1.99 0.61 0.00 0.03 0.00 0.00 46.19 45.03 2wh2 s LEU 125 CO 0.35 0.32 1.14 -0.81 0.23 0.00 0.00 176.35 177.58 2wh2 n PRO 126 N 1.67 0.27 -4.51 1.29 -0.04 -1.26 -4.79 135.00 127.63 2wh2 n PRO 126 Ca -0.16 0.07 -0.26 0.00 -0.04 0.00 0.00 63.50 63.11 2wh2 n PRO 126 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2wh2 n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wh2 s ILE 127 N -2.21 0.54 0.04 0.52 -4.36 -1.26 -5.11 121.20 109.36 2wh2 s ILE 127 Ca 0.14 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.34 2wh2 s ILE 127 Cb 0.07 -2.33 -0.06 0.00 1.25 0.00 0.00 42.46 41.39 2wh2 s ILE 127 CO 0.14 0.00 0.57 -0.54 0.24 0.00 0.00 174.94 175.34 2wh2 s LYS 128 N -3.68 4.23 0.23 0.37 1.02 -1.26 -4.96 119.74 115.68 2wh2 s LYS 128 Ca 0.24 0.71 0.05 0.00 0.02 0.00 0.00 55.97 56.99 2wh2 s LYS 128 Cb 0.02 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 2wh2 s LYS 128 CO 0.15 0.55 -0.05 0.95 -0.92 0.00 0.00 175.35 176.04 2wh2 s THR 129 N -0.80 1.30 0.01 2.17 -4.23 -1.26 -0.80 115.64 112.03 2wh2 s THR 129 Ca 0.29 -2.08 -0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2wh2 s THR 129 Cb -0.19 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 2wh2 s THR 129 CO 0.18 -0.41 -0.01 -0.75 -0.54 0.00 0.00 174.62 173.09 2wh2 s LYS 130 N -3.78 0.21 0.07 3.99 2.47 0.16 -4.91 119.74 117.95 2wh2 s LYS 130 Ca 0.26 -0.38 -0.10 0.00 -1.56 0.00 0.00 55.97 54.19 2wh2 s LYS 130 Cb 0.04 0.08 -0.06 0.00 -1.46 0.00 0.00 37.83 36.43 2wh2 s LYS 130 CO 0.08 -0.04 0.40 0.42 0.16 0.00 0.00 175.35 176.38 2wh2 s ILE 131 N -0.95 5.09 0.08 5.43 1.01 -1.26 -0.95 121.20 129.64 2wh2 s ILE 131 Ca -0.10 0.49 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 2wh2 s ILE 131 Cb -0.06 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2wh2 s ILE 131 CO -0.01 0.31 0.05 0.68 0.00 0.00 0.00 174.94 175.98 2wh2 s VAL 132 N -1.37 0.18 0.03 2.92 -7.23 -0.87 -4.98 120.40 109.07 2wh2 s VAL 132 Ca 0.32 -1.64 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 2wh2 s VAL 132 Cb -0.14 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 2wh2 s VAL 132 CO 0.18 -0.80 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.42 2wh2 s ARG 133 N -3.92 0.95 0.05 4.82 3.52 -1.26 -0.90 118.95 122.21 2wh2 s ARG 133 Ca 0.09 -0.71 -0.33 0.00 -0.13 0.00 0.00 55.73 54.65 2wh2 s ARG 133 Cb 0.07 -0.95 -0.17 0.00 -1.56 0.00 0.00 34.95 32.33 2wh2 s ARG 133 CO -0.08 0.24 0.83 0.54 -0.81 0.00 0.00 175.30 176.02 2wh2 n ARG 134 N 2.03 0.00 0.00 5.12 1.74 -0.95 -4.89 116.66 119.70 2wh2 n ARG 134 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 2wh2 n ARG 134 Cb 0.55 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 2wh2 n ARG 134 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wh2 n ASP 135 N 1.47 0.00 0.00 0.55 8.00 -1.26 -5.08 116.55 120.23 2wh2 n ASP 135 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2wh2 n ASP 135 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2wh2 n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wh2 n ALA 136 N -3.00 -0.20 -2.46 2.24 0.00 -1.26 -4.51 120.51 111.33 2wh2 n ALA 136 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2wh2 n ALA 136 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 2wh2 n ALA 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2wh2 s TYR 137 N -2.39 2.96 0.04 0.00 6.14 -1.26 -4.97 117.35 117.86 2wh2 s TYR 137 Ca 0.00 1.10 -0.01 0.00 0.64 0.00 0.00 57.07 58.79 2wh2 s TYR 137 Cb 0.00 -3.46 -0.03 0.00 0.42 0.00 0.00 41.96 38.89 2wh2 s TYR 137 CO 0.00 -1.49 -0.01 -0.51 0.64 0.00 0.00 175.55 174.18 2wh2 s ASP 138 N 1.81 0.36 -1.18 4.32 1.01 -1.26 -4.76 116.67 116.97 2wh2 s ASP 138 Ca 0.53 -0.77 -0.10 0.00 0.71 0.00 0.00 52.55 52.93 2wh2 s ASP 138 Cb -0.21 0.17 0.22 0.00 1.01 0.00 0.00 42.92 44.11 2wh2 s ASP 138 CO 0.14 -0.49 1.42 -0.62 0.21 0.00 0.00 175.17 175.84 2wh2 n GLU 139 N 0.70 3.64 -1.52 8.23 -0.58 -1.26 -4.96 120.64 124.89 2wh2 n GLU 139 Ca -0.18 -4.09 -0.01 0.00 -0.42 0.00 0.00 57.16 52.46 2wh2 n GLU 139 Cb 0.59 -2.79 0.00 0.00 -0.57 0.00 0.00 31.44 28.67 2wh2 n GLU 139 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wh2 n ALA 140 N 3.77 -0.31 -1.96 0.62 0.00 -1.26 -5.30 120.51 116.07 2wh2 n ALA 140 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2wh2 n ALA 140 Cb 0.39 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wh2 n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54