#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n LEU 2 N 0.00 0.00 -4.07 -0.89 7.94 -1.26 -4.53 117.00 114.19 2wh4 n LEU 2 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 2wh4 n LEU 2 Cb 0.00 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 43.84 2wh4 n LEU 2 CO 0.00 0.00 -0.37 0.00 -1.11 0.00 0.00 177.39 175.91 2wh4 s MET 3 N -0.05 0.55 1.19 1.96 0.23 -1.26 -4.62 119.30 117.29 2wh4 s MET 3 Ca 0.00 -0.99 -0.14 0.00 -1.03 0.00 0.00 55.69 53.53 2wh4 s MET 3 Cb 0.00 0.02 0.28 0.00 -1.53 0.00 0.00 34.83 33.60 2wh4 s MET 3 CO 0.00 -0.05 0.88 -0.35 -2.03 0.00 0.00 175.02 173.47 2wh4 n PRO 4 N 0.73 -2.50 -0.27 3.16 -0.04 -1.26 -4.96 135.00 129.86 2wh4 n PRO 4 Ca -0.18 -0.70 0.08 0.00 -0.04 0.00 0.00 63.50 62.66 2wh4 n PRO 4 Cb 0.58 -2.10 0.18 0.00 -0.04 0.00 0.00 33.50 32.12 2wh4 n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2wh4 n ARG 5 N -4.65 1.67 0.00 0.54 0.63 -1.26 -5.01 116.66 108.58 2wh4 n ARG 5 Ca 0.02 -2.79 0.00 0.00 -0.92 0.00 0.00 57.85 54.17 2wh4 n ARG 5 Cb 0.55 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.86 2wh4 n ARG 5 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wh4 n ARG 6 N -1.20 0.00 -0.01 -0.14 5.12 -1.26 -5.16 116.66 114.01 2wh4 n ARG 6 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2wh4 n ARG 6 Cb 0.72 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.02 2wh4 n ARG 6 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 2wh4 n MET 7 N 0.00 -0.03 0.15 5.56 0.00 -1.26 -4.82 117.12 116.72 2wh4 n MET 7 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 57.70 57.75 2wh4 n MET 7 Cb 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 33.22 33.28 2wh4 n MET 7 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2wh4 h LYS 8 N 0.01 0.00 -4.81 2.12 1.57 -2.02 -3.45 116.57 109.99 2wh4 h LYS 8 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2wh4 h LYS 8 Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 31.99 2wh4 h LYS 8 CO 0.00 0.50 -0.82 0.71 -0.57 0.00 0.00 179.45 179.27 2wh4 s TYR 9 N -3.06 1.44 0.28 -1.35 1.51 -1.26 -5.05 117.35 109.86 2wh4 s TYR 9 Ca 0.03 -0.46 0.07 0.00 -1.01 0.00 0.00 57.07 55.70 2wh4 s TYR 9 Cb 0.08 -1.02 0.40 0.00 -0.11 0.00 0.00 41.96 41.32 2wh4 s TYR 9 CO 0.74 -0.20 1.66 0.07 -1.11 0.00 0.00 175.55 176.70 2wh4 h ARG 10 N 6.61 0.21 -5.71 -0.62 0.11 -1.92 -3.44 114.38 109.62 2wh4 h ARG 10 Ca -0.32 -0.11 -0.55 0.00 0.10 0.00 0.00 59.98 59.10 2wh4 h ARG 10 Cb 1.18 0.01 -0.29 0.00 1.11 0.00 0.00 29.97 31.98 2wh4 h ARG 10 CO 0.48 0.65 -0.83 0.15 0.10 0.00 0.00 179.97 180.51 2wh4 s LYS 11 N -4.00 1.39 0.07 0.08 1.02 -1.26 -4.81 119.74 112.23 2wh4 s LYS 11 Ca -0.04 -0.68 0.02 0.00 0.02 0.00 0.00 55.97 55.29 2wh4 s LYS 11 Cb 0.13 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 2wh4 s LYS 11 CO 0.78 0.37 -0.07 1.14 -0.92 0.00 0.00 175.35 176.65 2wh4 s GLN 12 N -0.56 0.66 0.72 1.68 -2.07 -1.26 -5.08 119.66 113.75 2wh4 s GLN 12 Ca 0.07 -1.03 -0.16 0.00 -1.82 0.00 0.00 55.36 52.42 2wh4 s GLN 12 Cb -0.07 -0.23 0.01 0.00 -1.09 0.00 0.00 33.01 31.63 2wh4 s GLN 12 CO -0.00 0.01 0.98 1.04 -1.32 0.00 0.00 175.29 176.00 2wh4 n GLN 13 N 0.76 0.52 0.17 9.60 6.02 -1.26 -4.91 117.38 128.28 2wh4 n GLN 13 Ca -0.18 0.23 0.06 0.00 -0.01 0.00 0.00 57.00 57.11 2wh4 n GLN 13 Cb 0.58 -2.23 0.55 0.00 1.02 0.00 0.00 30.24 30.15 2wh4 n GLN 13 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2wh4 h ARG 14 N -0.24 0.17 0.00 -1.09 2.43 -2.01 -3.49 114.38 110.16 2wh4 h ARG 14 Ca -0.47 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2wh4 h ARG 14 Cb 1.33 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 2wh4 h ARG 14 CO 0.47 0.14 0.00 0.41 -1.51 0.00 0.00 179.97 179.48 2wh4 n GLY 15 N -1.44 -0.43 3.19 2.80 0.00 -1.26 -4.96 105.19 103.07 2wh4 n GLY 15 Ca -0.01 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 2wh4 n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wh4 s ARG 16 N 0.00 0.78 -0.66 1.61 3.52 -1.26 -5.13 118.95 117.82 2wh4 s ARG 16 Ca 0.00 -0.92 0.01 0.00 -0.13 0.00 0.00 55.73 54.69 2wh4 s ARG 16 Cb 0.00 0.31 0.16 0.00 -1.56 0.00 0.00 34.95 33.87 2wh4 s ARG 16 CO 0.00 -0.23 0.46 -0.51 -0.81 0.00 0.00 175.30 174.20 2wh4 s LEU 17 N -2.70 4.95 -0.46 -0.88 1.43 -1.26 -5.04 118.68 114.72 2wh4 s LEU 17 Ca 0.03 -3.24 -0.19 0.00 -1.03 0.00 0.00 54.13 49.69 2wh4 s LEU 17 Cb 0.04 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.53 2wh4 s LEU 17 CO -0.09 -0.24 0.59 -0.54 0.23 0.00 0.00 176.35 176.29 2wh4 s LYS 18 N -0.62 3.18 0.12 1.70 1.02 -1.26 -5.03 119.74 118.85 2wh4 s LYS 18 Ca 0.20 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 2wh4 s LYS 18 Cb -0.17 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 33.11 2wh4 s LYS 18 CO -0.06 -1.05 -0.19 0.41 -0.92 0.00 0.00 175.35 173.53 2wh4 n GLY 19 N 5.10 -0.37 1.49 -3.33 0.00 -1.26 -4.89 105.19 101.94 2wh4 n GLY 19 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2wh4 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 n ALA 20 N -0.44 -2.47 -1.04 4.61 0.00 -1.25 -4.92 120.51 114.99 2wh4 n ALA 20 Ca -0.00 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 2wh4 n ALA 20 Cb 0.09 -0.95 0.13 0.00 0.00 0.00 0.00 19.45 18.73 2wh4 n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wh4 s THR 21 N -0.30 2.17 -0.42 0.00 2.01 -0.85 -4.83 115.64 113.42 2wh4 s THR 21 Ca 0.00 0.07 0.23 0.00 0.31 0.00 0.00 61.69 62.30 2wh4 s THR 21 Cb 0.00 -2.39 0.25 0.00 0.01 0.00 0.00 72.50 70.37 2wh4 s THR 21 CO 0.00 -0.06 1.49 0.50 -0.69 0.00 0.00 174.62 175.86 2wh4 h LYS 22 N -1.10 0.00 0.00 4.92 3.64 -1.93 -3.48 116.57 118.62 2wh4 h LYS 22 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2wh4 h LYS 22 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2wh4 h LYS 22 CO 0.46 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.05 2wh4 n GLY 23 N 1.14 0.83 1.13 5.01 0.00 -1.26 -5.03 105.19 107.01 2wh4 n GLY 23 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2wh4 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 24 N -0.35 0.95 0.08 -0.02 0.00 -1.26 -4.84 105.19 99.74 2wh4 n GLY 24 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 2wh4 n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2wh4 h ASP 25 N 0.00 0.00 -2.77 1.61 -0.00 -1.93 0.16 116.42 113.49 2wh4 h ASP 25 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.03 56.48 2wh4 h ASP 25 Cb 0.69 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.99 2wh4 h ASP 25 CO 0.00 1.00 -0.39 -0.72 -0.00 0.00 0.00 179.24 179.12 2wh4 s TYR 26 N -2.62 3.49 -0.48 4.15 -0.85 -1.26 -4.65 117.35 115.12 2wh4 s TYR 26 Ca -0.04 0.27 -0.20 0.00 -0.52 0.00 0.00 57.07 56.58 2wh4 s TYR 26 Cb 0.08 -1.79 0.04 0.00 0.38 0.00 0.00 41.96 40.67 2wh4 s TYR 26 CO 0.82 0.45 0.67 0.54 -1.52 0.00 0.00 175.55 176.52 2wh4 s VAL 27 N -1.77 4.79 -0.27 -3.49 0.11 -1.26 -4.88 120.40 113.62 2wh4 s VAL 27 Ca 0.37 -0.14 0.11 0.00 -2.93 0.00 0.00 61.98 59.39 2wh4 s VAL 27 Cb -0.11 -4.29 0.53 0.00 -1.53 0.00 0.00 36.38 30.97 2wh4 s VAL 27 CO 0.28 -0.76 1.49 0.00 -3.33 0.00 0.00 175.10 172.78 2wh4 n ALA 28 N 6.39 3.98 -0.60 1.54 0.00 -1.26 -4.85 120.51 125.70 2wh4 n ALA 28 Ca -0.03 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.57 2wh4 n ALA 28 Cb 0.47 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2wh4 n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wh4 n PHE 29 N -0.91 0.00 -2.14 0.00 3.01 -1.26 -5.15 117.46 111.00 2wh4 n PHE 29 Ca 0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.78 2wh4 n PHE 29 Cb 1.05 0.14 0.00 0.00 -0.01 0.00 0.00 39.48 40.65 2wh4 n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wh4 n GLY 30 N 2.00 1.15 0.07 1.37 0.00 -1.26 -5.04 105.19 103.48 2wh4 n GLY 30 Ca 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 44.02 2wh4 n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wh4 h ASP 31 N 0.00 -0.11 -2.97 1.61 3.32 -1.62 -3.44 116.42 113.21 2wh4 h ASP 31 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.45 2wh4 h ASP 31 Cb 0.00 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.48 2wh4 h ASP 31 CO 0.00 0.08 -0.62 -0.31 -1.72 0.00 0.00 179.24 176.66 2wh4 s TYR 32 N -1.92 3.01 0.29 4.55 1.51 -1.15 -2.19 117.35 121.46 2wh4 s TYR 32 Ca -0.02 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 2wh4 s TYR 32 Cb 0.00 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 2wh4 s TYR 32 CO 0.06 0.51 0.31 0.20 -1.11 0.00 0.00 175.55 175.52 2wh4 s GLY 33 N -2.78 1.72 -0.13 0.71 0.00 -0.19 -0.57 107.32 106.08 2wh4 s GLY 33 Ca 0.28 -1.72 0.02 0.00 0.00 0.00 0.00 44.72 43.30 2wh4 s GLY 33 CO 0.20 -1.25 -0.19 -2.27 0.00 0.00 0.00 173.10 169.59 2wh4 s LEU 34 N -3.25 1.93 -0.03 0.66 2.96 0.41 -2.17 118.68 119.19 2wh4 s LEU 34 Ca 0.36 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.81 2wh4 s LEU 34 Cb 0.03 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 2wh4 s LEU 34 CO 0.20 0.05 -0.22 0.54 -1.32 0.00 0.00 176.35 175.60 2wh4 s VAL 35 N 0.90 2.37 0.17 1.68 0.11 -0.04 -0.50 120.40 125.09 2wh4 s VAL 35 Ca -0.07 -0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 57.70 2wh4 s VAL 35 Cb -0.15 -1.86 -0.07 0.00 -1.53 0.00 0.00 36.38 32.77 2wh4 s VAL 35 CO -0.02 0.58 0.97 0.00 -3.33 0.00 0.00 175.10 173.30 2wh4 s ALA 36 N -0.62 3.29 -0.23 1.54 0.00 -0.41 -0.45 121.76 124.88 2wh4 s ALA 36 Ca 0.10 0.62 0.07 0.00 0.00 0.00 0.00 51.96 52.74 2wh4 s ALA 36 Cb -0.10 -3.26 -0.20 0.00 0.00 0.00 0.00 23.12 19.56 2wh4 s ALA 36 CO -0.00 0.04 -0.10 1.28 0.00 0.00 0.00 175.76 176.97 2wh4 n LEU 37 N 2.24 2.04 -4.43 0.00 4.77 0.17 -0.19 117.00 121.61 2wh4 n LEU 37 Ca 0.01 -0.08 -0.31 0.00 -0.03 0.00 0.00 56.01 55.60 2wh4 n LEU 37 Cb 0.48 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2wh4 n LEU 37 CO 0.51 0.80 -0.51 -1.83 -1.33 0.00 0.00 177.39 175.03 2wh4 s GLU 38 N -2.51 2.01 0.57 3.23 -1.05 -1.25 -4.45 118.70 115.24 2wh4 s GLU 38 Ca -0.27 -1.01 -0.20 0.00 -0.15 0.00 0.00 54.97 53.34 2wh4 s GLU 38 Cb 0.08 -2.14 -0.04 0.00 -0.44 0.00 0.00 34.13 31.59 2wh4 s GLU 38 CO 0.68 0.53 1.29 -1.25 0.95 0.00 0.00 175.26 177.46 2wh4 s PRO 39 N -1.40 3.03 0.00 -4.83 0.04 -1.26 -4.58 135.00 126.00 2wh4 s PRO 39 Ca 0.14 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2wh4 s PRO 39 Cb -0.10 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2wh4 s PRO 39 CO 0.05 -1.22 0.00 0.00 0.04 0.00 0.00 177.00 175.87 2wh4 n ALA 40 N -1.30 0.00 -2.56 8.56 0.00 0.59 -5.00 120.51 120.80 2wh4 n ALA 40 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 2wh4 n ALA 40 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 2wh4 n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2wh4 s TRP 41 N -2.00 3.22 0.08 0.00 0.51 -1.26 -0.91 118.94 118.58 2wh4 s TRP 41 Ca 0.00 0.00 -0.19 0.00 -2.12 0.00 0.00 56.10 53.79 2wh4 s TRP 41 Cb 0.00 -2.55 -0.07 0.00 -0.81 0.00 0.00 33.47 30.05 2wh4 s TRP 41 CO 0.00 -0.33 0.56 0.42 -0.51 0.00 0.00 176.95 177.08 2wh4 s ILE 42 N 1.89 4.77 0.47 2.03 1.09 -0.07 -4.83 121.20 126.54 2wh4 s ILE 42 Ca 0.10 1.16 -0.06 0.00 -1.10 0.00 0.00 60.65 60.74 2wh4 s ILE 42 Cb -0.17 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.32 2wh4 s ILE 42 CO 0.11 0.53 0.78 0.42 -0.10 0.00 0.00 174.94 176.68 2wh4 s THR 43 N -1.14 4.89 0.16 2.92 -4.23 -1.26 0.13 115.64 117.11 2wh4 s THR 43 Ca 0.29 0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 60.93 2wh4 s THR 43 Cb -0.19 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 69.86 2wh4 s THR 43 CO 0.19 -0.79 1.79 0.00 -0.54 0.00 0.00 174.62 175.27 2wh4 h ALA 44 N 0.40 0.65 -0.66 3.99 0.00 -1.50 -1.00 119.26 121.14 2wh4 h ALA 44 Ca -0.47 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.44 2wh4 h ALA 44 Cb 1.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2wh4 h ALA 44 CO 0.62 0.14 0.44 -0.56 0.00 0.00 0.00 179.25 179.89 2wh4 h GLN 45 N 0.68 0.61 -0.01 0.00 -0.00 -1.84 -2.36 115.11 112.19 2wh4 h GLN 45 Ca 0.18 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.75 2wh4 h GLN 45 Cb -0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 27.34 2wh4 h GLN 45 CO -0.03 0.41 -0.18 1.96 -0.00 0.00 0.00 178.83 180.98 2wh4 h GLN 46 N 0.63 0.14 -0.06 0.06 4.20 -1.66 -1.40 115.11 117.03 2wh4 h GLN 46 Ca 0.29 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2wh4 h GLN 46 Cb 0.32 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.07 2wh4 h GLN 46 CO -0.09 0.86 -0.48 0.82 -0.67 0.00 0.00 178.83 179.27 2wh4 h ILE 47 N -0.52 0.07 0.34 2.54 2.04 -0.93 -2.27 117.51 118.77 2wh4 h ILE 47 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2wh4 h ILE 47 Cb 0.92 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2wh4 h ILE 47 CO 0.04 0.00 -0.52 -0.08 0.00 0.00 0.00 178.15 177.58 2wh4 h GLU 48 N -0.59 -0.87 0.00 2.37 4.57 -1.52 -0.95 114.58 117.59 2wh4 h GLU 48 Ca 0.04 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2wh4 h GLU 48 Cb 0.68 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2wh4 h GLU 48 CO -0.37 -0.58 0.06 0.00 -1.18 0.00 0.00 179.01 176.94 2wh4 n ALA 49 N -2.87 0.71 -0.01 2.92 0.00 -0.53 0.94 120.51 121.68 2wh4 n ALA 49 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 2wh4 n ALA 49 Cb 0.45 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 2wh4 n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 50 N -0.89 1.99 -0.13 0.00 0.00 -0.64 -3.92 120.51 116.91 2wh4 n ALA 50 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2wh4 n ALA 50 Cb 0.06 0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.61 2wh4 n ALA 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wh4 h ARG 51 N 0.00 0.93 -0.00 0.00 2.43 0.19 -1.37 114.38 116.56 2wh4 h ARG 51 Ca -0.06 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 2wh4 h ARG 51 Cb 0.87 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2wh4 h ARG 51 CO 0.00 1.09 -0.20 -0.39 -1.51 0.00 0.00 179.97 178.97 2wh4 h VAL 52 N 0.78 1.57 -0.99 0.20 -1.51 -1.55 -2.60 116.25 112.15 2wh4 h VAL 52 Ca 0.09 -1.94 0.36 0.00 -1.23 0.00 0.00 66.70 63.98 2wh4 h VAL 52 Cb 0.87 2.80 -0.16 0.00 -2.13 0.00 0.00 31.29 32.67 2wh4 h VAL 52 CO 0.08 0.52 0.52 0.00 -1.23 0.00 0.00 177.57 177.46 2wh4 h ALA 53 N 0.24 1.99 0.09 5.19 0.00 -1.66 0.62 119.26 125.73 2wh4 h ALA 53 Ca -0.02 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wh4 h ALA 53 Cb 0.97 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wh4 h ALA 53 CO 0.04 -0.75 -0.04 1.98 0.00 0.00 0.00 179.25 180.48 2wh4 h MET 54 N 0.15 -0.11 0.08 0.00 -1.53 -1.16 -2.59 114.93 109.77 2wh4 h MET 54 Ca 0.77 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 57.04 2wh4 h MET 54 Cb 1.90 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 32.96 2wh4 h MET 54 CO -0.70 -0.08 -0.18 -0.39 0.14 0.00 0.00 176.91 175.71 2wh4 h VAL 55 N -0.13 0.00 -0.63 -5.77 -1.51 -0.80 -1.96 116.25 105.45 2wh4 h VAL 55 Ca -0.01 0.00 0.17 0.00 -1.23 0.00 0.00 66.70 65.63 2wh4 h VAL 55 Cb 0.09 0.00 -0.12 0.00 -2.13 0.00 0.00 31.29 29.13 2wh4 h VAL 55 CO 0.02 0.00 0.01 -1.14 -1.23 0.00 0.00 177.57 175.23 2wh4 n ARG 56 N -3.43 -0.05 0.28 5.19 3.00 0.08 0.11 116.66 121.85 2wh4 n ARG 56 Ca -0.03 0.94 -0.16 0.00 -0.00 0.00 0.00 57.85 58.60 2wh4 n ARG 56 Cb 0.14 -1.50 -0.09 0.00 0.00 0.00 0.00 32.46 31.02 2wh4 n ARG 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2wh4 h HIS 57 N 0.00 -1.20 -2.83 -0.14 2.76 -0.94 -3.12 115.15 109.69 2wh4 h HIS 57 Ca 0.38 0.00 -0.76 0.00 -2.20 0.00 0.00 60.37 57.79 2wh4 h HIS 57 Cb 0.79 0.46 -0.31 0.00 1.55 0.00 0.00 27.41 29.89 2wh4 h HIS 57 CO -0.32 -0.59 0.44 1.97 -1.30 0.00 0.00 177.93 178.13 2wh4 n PHE 58 N -5.09 2.81 -1.61 5.26 1.16 0.31 -5.04 117.46 115.26 2wh4 n PHE 58 Ca -0.11 -3.05 -0.48 0.00 -1.87 0.00 0.00 57.45 51.93 2wh4 n PHE 58 Cb 0.41 -1.14 -0.04 0.00 -1.61 0.00 0.00 39.48 37.10 2wh4 n PHE 58 CO 0.00 0.00 0.00 2.89 -1.87 0.00 0.00 176.76 177.78 2wh4 n ARG 59 N 1.35 1.48 -3.48 3.97 1.85 -0.53 -3.01 116.66 118.28 2wh4 n ARG 59 Ca 0.26 0.53 -0.24 0.00 -1.00 0.00 0.00 57.85 57.41 2wh4 n ARG 59 Cb 0.35 -2.13 0.06 0.00 -1.05 0.00 0.00 32.46 29.69 2wh4 n ARG 59 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wh4 n ARG 60 N 2.19 -1.80 0.00 2.89 1.74 -1.26 -5.00 116.66 115.42 2wh4 n ARG 60 Ca 0.15 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 2wh4 n ARG 60 Cb 0.25 -4.94 0.00 0.00 -1.02 0.00 0.00 32.46 26.76 2wh4 n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh4 n GLY 61 N -1.47 5.52 0.00 -0.13 0.00 -1.16 -5.17 105.19 102.78 2wh4 n GLY 61 Ca -0.09 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2wh4 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 62 N 1.66 -1.67 3.06 -0.02 0.00 -1.23 -5.03 105.19 101.95 2wh4 n GLY 62 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 2wh4 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wh4 s LYS 63 N 0.00 1.31 -0.14 1.61 2.20 -0.30 -4.98 119.74 119.44 2wh4 s LYS 63 Ca 0.00 -0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 55.13 2wh4 s LYS 63 Cb 0.00 -1.18 -0.03 0.00 -1.51 0.00 0.00 37.83 35.11 2wh4 s LYS 63 CO 0.00 0.17 0.01 0.42 -0.36 0.00 0.00 175.35 175.59 2wh4 s ILE 64 N 0.13 4.39 -0.25 5.43 1.01 -1.26 -0.55 121.20 130.09 2wh4 s ILE 64 Ca -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 2wh4 s ILE 64 Cb -0.10 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.46 2wh4 s ILE 64 CO 0.01 0.52 -0.01 -0.36 0.00 0.00 0.00 174.94 175.10 2wh4 s PHE 65 N -0.04 3.05 -0.34 3.97 0.08 0.11 -5.01 117.98 119.81 2wh4 s PHE 65 Ca 0.04 -1.11 -0.14 0.00 0.12 0.00 0.00 56.93 55.84 2wh4 s PHE 65 Cb -0.13 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 2wh4 s PHE 65 CO 0.02 -0.60 0.29 0.96 -0.10 0.00 0.00 175.22 175.79 2wh4 s ILE 66 N 1.45 5.24 -0.22 0.64 -4.36 -1.26 -1.97 121.20 120.71 2wh4 s ILE 66 Ca 0.03 -0.06 0.14 0.00 -0.26 0.00 0.00 60.65 60.51 2wh4 s ILE 66 Cb -0.16 -3.75 0.62 0.00 1.25 0.00 0.00 42.46 40.42 2wh4 s ILE 66 CO -0.02 -0.02 1.55 0.54 0.24 0.00 0.00 174.94 177.23 2wh4 n ARG 67 N 5.22 3.33 -4.39 0.37 1.74 0.12 -4.93 116.66 118.12 2wh4 n ARG 67 Ca -0.11 -2.98 -0.19 0.00 -0.77 0.00 0.00 57.85 53.80 2wh4 n ARG 67 Cb 0.50 -1.98 -0.14 0.00 -1.02 0.00 0.00 32.46 29.81 2wh4 n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2wh4 s ILE 68 N -2.89 0.90 -0.10 0.55 -4.36 -1.25 -4.88 121.20 109.17 2wh4 s ILE 68 Ca 0.47 -0.67 -0.02 0.00 -0.26 0.00 0.00 60.65 60.17 2wh4 s ILE 68 Cb 0.38 -0.79 0.04 0.00 1.25 0.00 0.00 42.46 43.33 2wh4 s ILE 68 CO 0.10 0.12 0.01 0.12 0.24 0.00 0.00 174.94 175.53 2wh4 s PHE 69 N -0.52 0.73 -0.74 1.37 5.36 -1.26 -5.08 117.98 117.84 2wh4 s PHE 69 Ca 0.02 -0.31 -0.26 0.00 -0.96 0.00 0.00 56.93 55.43 2wh4 s PHE 69 Cb -0.06 -0.84 -0.07 0.00 -0.34 0.00 0.00 43.02 41.70 2wh4 s PHE 69 CO 0.00 -0.39 2.16 -1.25 -1.46 0.00 0.00 175.22 174.28 2wh4 s PRO 70 N 1.95 2.19 -0.11 10.12 0.04 -1.26 -4.64 135.00 143.28 2wh4 s PRO 70 Ca 0.04 0.43 0.16 0.00 0.04 0.00 0.00 61.00 61.67 2wh4 s PRO 70 Cb -0.13 -4.76 0.27 0.00 0.04 0.00 0.00 34.50 29.91 2wh4 s PRO 70 CO -0.06 -3.57 1.15 -0.40 0.04 0.00 0.00 177.00 174.16 2wh4 n ASP 71 N 15.56 2.43 -4.34 6.66 5.68 -1.01 -4.27 116.55 137.26 2wh4 n ASP 71 Ca 0.38 -2.91 -0.36 0.00 -0.50 0.00 0.00 54.79 51.39 2wh4 n ASP 71 Cb 0.48 -0.38 -0.13 0.00 -1.14 0.00 0.00 41.12 39.96 2wh4 n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2wh4 s LYS 72 N -2.58 3.25 -0.01 0.11 2.20 -0.80 -4.99 119.74 116.92 2wh4 s LYS 72 Ca 0.28 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 2wh4 s LYS 72 Cb 0.24 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.27 2wh4 s LYS 72 CO 0.03 -0.33 1.53 -2.14 -0.36 0.00 0.00 175.35 174.08 2wh4 s PRO 73 N 1.50 4.23 -0.18 4.03 0.02 -1.26 -1.32 135.00 142.02 2wh4 s PRO 73 Ca 0.04 2.09 -0.10 0.00 0.02 0.00 0.00 61.00 63.05 2wh4 s PRO 73 Cb -0.16 -3.73 -0.05 0.00 0.02 0.00 0.00 34.50 30.59 2wh4 s PRO 73 CO 0.01 -0.71 0.15 -0.47 -0.33 0.00 0.00 177.00 175.65 2wh4 s TYR 74 N 3.06 3.45 0.35 6.54 5.04 -0.96 -4.54 117.35 130.29 2wh4 s TYR 74 Ca 0.68 0.40 0.09 0.00 -2.44 0.00 0.00 57.07 55.80 2wh4 s TYR 74 Cb -0.33 -2.15 -0.06 0.00 0.35 0.00 0.00 41.96 39.78 2wh4 s TYR 74 CO 0.28 0.36 0.03 0.95 -1.34 0.00 0.00 175.55 175.82 2wh4 s THR 75 N 0.13 2.57 -0.28 4.34 -4.23 -1.26 0.11 115.64 117.02 2wh4 s THR 75 Ca 0.10 -1.95 -0.19 0.00 -1.18 0.00 0.00 61.69 58.47 2wh4 s THR 75 Cb -0.11 -2.83 0.12 0.00 1.34 0.00 0.00 72.50 71.02 2wh4 s THR 75 CO -0.00 -0.17 0.93 -0.75 -0.54 0.00 0.00 174.62 174.09 2wh4 s LYS 76 N -3.73 0.50 0.24 3.99 2.20 -0.53 -4.80 119.74 117.60 2wh4 s LYS 76 Ca 0.35 0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 56.42 2wh4 s LYS 76 Cb 0.01 0.15 -0.09 0.00 -1.51 0.00 0.00 37.83 36.39 2wh4 s LYS 76 CO 0.20 -0.09 1.06 0.15 -0.36 0.00 0.00 175.35 176.31 2wh4 s LYS 77 N 1.01 4.67 1.05 4.03 1.02 -1.26 -3.42 119.74 126.85 2wh4 s LYS 77 Ca -0.05 1.70 -0.23 0.00 0.02 0.00 0.00 55.97 57.41 2wh4 s LYS 77 Cb -0.04 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 2wh4 s LYS 77 CO -0.12 0.24 -0.79 -2.30 -0.92 0.00 0.00 175.35 171.45 2wh4 n PRO 78 N 1.65 -0.73 -3.04 -1.68 -0.02 -1.26 -4.92 135.00 124.99 2wh4 n PRO 78 Ca -0.00 -0.21 -0.36 0.00 -2.02 0.00 0.00 63.50 60.92 2wh4 n PRO 78 Cb 0.46 -1.33 -0.06 0.00 -0.02 0.00 0.00 33.50 32.54 2wh4 n PRO 78 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wh4 s LEU 79 N 3.63 4.31 -0.25 2.45 0.20 -1.26 -3.92 118.68 123.84 2wh4 s LEU 79 Ca 0.46 1.48 0.00 0.00 0.69 0.00 0.00 54.13 56.76 2wh4 s LEU 79 Cb -0.01 -3.73 0.00 0.00 -0.43 0.00 0.00 46.19 42.02 2wh4 s LEU 79 CO 0.67 -0.02 0.00 -0.62 -0.29 0.00 0.00 176.35 176.09 2wh4 n GLU 80 N 0.56 -1.01 -3.91 1.98 1.02 -1.26 -5.01 120.64 113.02 2wh4 n GLU 80 Ca -0.01 0.40 -0.34 0.00 -0.02 0.00 0.00 57.16 57.19 2wh4 n GLU 80 Cb 0.51 -4.23 -0.05 0.00 -0.02 0.00 0.00 31.44 27.65 2wh4 n GLU 80 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wh4 s VAL 81 N -1.66 5.41 0.43 2.62 0.11 -1.25 -5.10 120.40 120.96 2wh4 s VAL 81 Ca 0.00 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2wh4 s VAL 81 Cb 0.00 -3.51 -0.01 0.00 -1.53 0.00 0.00 36.38 31.33 2wh4 s VAL 81 CO 0.00 0.35 0.65 0.00 -3.33 0.00 0.00 175.10 172.77 2wh4 s ARG 82 N -1.86 3.16 0.60 1.54 1.70 -1.26 -4.96 118.95 117.86 2wh4 s ARG 82 Ca 0.26 -0.44 -0.18 0.00 -0.47 0.00 0.00 55.73 54.90 2wh4 s ARG 82 Cb -0.13 -2.57 -0.09 0.00 -0.57 0.00 0.00 34.95 31.60 2wh4 s ARG 82 CO 0.17 -0.19 0.42 -1.33 -1.08 0.00 0.00 175.30 173.29 2wh4 n MET 83 N -2.03 0.39 0.00 3.89 2.81 -1.26 -4.78 117.12 116.15 2wh4 n MET 83 Ca 0.00 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2wh4 n MET 83 Cb 0.57 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 2wh4 n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wh4 n GLY 84 N 1.88 -0.88 3.65 3.03 0.00 -1.26 -5.02 105.19 106.60 2wh4 n GLY 84 Ca 0.11 -1.47 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 2wh4 n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh4 n LYS 85 N 0.00 -6.08 0.00 1.61 4.76 -1.26 -4.77 118.16 112.42 2wh4 n LYS 85 Ca 0.00 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2wh4 n LYS 85 Cb 0.00 -5.56 0.00 0.00 -1.84 0.00 0.00 35.03 27.63 2wh4 n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh4 n GLY 86 N -1.56 -1.82 3.77 0.72 0.00 -1.26 -4.95 105.19 100.10 2wh4 n GLY 86 Ca -0.17 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 2wh4 n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wh4 s LYS 87 N -2.37 4.39 1.20 1.61 2.20 -1.26 -5.02 119.74 120.49 2wh4 s LYS 87 Ca 0.00 1.54 -0.16 0.00 -0.36 0.00 0.00 55.97 56.99 2wh4 s LYS 87 Cb 0.00 -2.78 0.24 0.00 -1.51 0.00 0.00 37.83 33.78 2wh4 s LYS 87 CO 0.00 0.06 0.58 0.41 -0.36 0.00 0.00 175.35 176.04 2wh4 n GLY 88 N 0.64 -2.52 3.96 5.54 0.00 -1.26 -5.01 105.19 106.54 2wh4 n GLY 88 Ca 0.03 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 2wh4 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 s ASN 89 N -2.23 6.29 0.38 1.61 2.20 -1.22 -4.69 114.94 117.28 2wh4 s ASN 89 Ca 0.62 0.19 -0.27 0.00 -0.94 0.00 0.00 52.86 52.46 2wh4 s ASN 89 Cb -0.18 -1.89 -0.11 0.00 -2.00 0.00 0.00 41.25 37.07 2wh4 s ASN 89 CO 0.63 -0.17 1.41 0.52 -2.94 0.00 0.00 177.10 176.55 2wh4 n VAL 90 N -1.55 2.17 -0.07 3.54 0.31 -1.26 -1.45 118.33 120.01 2wh4 n VAL 90 Ca -0.07 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.64 2wh4 n VAL 90 Cb 0.57 -1.81 -0.04 0.00 -0.91 0.00 0.00 33.84 31.65 2wh4 n VAL 90 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wh4 n GLU 91 N 0.34 0.39 0.00 5.55 4.07 0.31 -4.81 120.64 126.48 2wh4 n GLU 91 Ca 0.03 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 2wh4 n GLU 91 Cb 0.39 -1.17 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 2wh4 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wh4 n GLY 92 N 1.96 3.60 3.06 8.31 0.00 -1.19 -5.03 105.19 115.90 2wh4 n GLY 92 Ca -0.20 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2wh4 n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh4 s TYR 93 N -0.03 0.09 0.22 1.61 2.02 -1.26 -2.26 117.35 117.74 2wh4 s TYR 93 Ca 0.00 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 2wh4 s TYR 93 Cb 0.00 -0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.43 2wh4 s TYR 93 CO 0.00 -0.24 0.02 0.14 -1.57 0.00 0.00 175.55 173.89 2wh4 s VAL 94 N -1.30 0.87 -0.09 0.71 -7.23 -0.43 -1.26 120.40 111.66 2wh4 s VAL 94 Ca -0.14 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.04 2wh4 s VAL 94 Cb -0.08 -2.35 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2wh4 s VAL 94 CO 0.01 -0.30 -0.17 0.00 -0.31 0.00 0.00 175.10 174.33 2wh4 s ALA 95 N -3.53 1.67 0.37 1.32 0.00 0.12 -1.90 121.76 119.81 2wh4 s ALA 95 Ca 0.29 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.31 2wh4 s ALA 95 Cb 0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 2wh4 s ALA 95 CO 0.08 0.12 1.14 0.08 0.00 0.00 0.00 175.76 177.19 2wh4 s VAL 96 N 0.64 3.28 -0.13 0.00 1.01 -1.26 -0.89 120.40 123.06 2wh4 s VAL 96 Ca -0.14 1.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.91 2wh4 s VAL 96 Cb -0.16 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.64 2wh4 s VAL 96 CO 0.04 0.13 0.25 -0.69 0.00 0.00 0.00 175.10 174.83 2wh4 s VAL 97 N -1.39 -0.39 0.27 2.92 1.01 -0.08 -4.89 120.40 117.84 2wh4 s VAL 97 Ca 0.54 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.89 2wh4 s VAL 97 Cb -0.30 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2wh4 s VAL 97 CO 0.38 0.12 0.10 -0.54 0.00 0.00 0.00 175.10 175.16 2wh4 s LYS 98 N 2.40 2.57 0.07 2.72 1.02 -1.26 -0.30 119.74 126.95 2wh4 s LYS 98 Ca 0.02 -1.28 -0.36 0.00 0.02 0.00 0.00 55.97 54.36 2wh4 s LYS 98 Cb -0.12 -2.33 -0.16 0.00 -0.52 0.00 0.00 37.83 34.70 2wh4 s LYS 98 CO -0.08 0.34 1.46 -2.30 -0.92 0.00 0.00 175.35 173.85 2wh4 n PRO 99 N -1.05 1.45 0.00 -1.68 -0.02 -1.26 -2.51 135.00 129.93 2wh4 n PRO 99 Ca -0.06 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2wh4 n PRO 99 Cb 0.59 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2wh4 n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh4 n GLY 100 N 2.98 0.73 3.67 -1.23 0.00 0.74 -2.02 105.19 110.05 2wh4 n GLY 100 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2wh4 n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wh4 s ARG 101 N -0.77 4.24 -0.73 1.61 6.06 -1.04 -4.22 118.95 124.10 2wh4 s ARG 101 Ca 0.00 1.79 -0.26 0.00 -2.50 0.00 0.00 55.73 54.76 2wh4 s ARG 101 Cb 0.00 -3.76 0.04 0.00 0.06 0.00 0.00 34.95 31.29 2wh4 s ARG 101 CO 0.00 -0.69 1.24 0.08 -2.50 0.00 0.00 175.30 173.43 2wh4 s VAL 102 N 3.33 3.80 -0.03 7.11 1.01 0.57 -1.28 120.40 134.91 2wh4 s VAL 102 Ca 0.59 0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.71 2wh4 s VAL 102 Cb -0.25 -4.89 -0.09 0.00 0.00 0.00 0.00 36.38 31.15 2wh4 s VAL 102 CO 0.19 -1.81 0.66 0.24 0.00 0.00 0.00 175.10 174.38 2wh4 h MET 103 N 9.97 -0.54 -5.82 2.72 0.00 -1.10 -3.43 114.93 116.73 2wh4 h MET 103 Ca -0.27 0.04 -0.58 0.00 0.00 0.00 0.00 59.70 58.88 2wh4 h MET 103 Cb 1.05 0.12 -0.09 0.00 0.00 0.00 0.00 31.60 32.69 2wh4 h MET 103 CO 1.27 -0.36 -0.47 -0.06 0.00 0.00 0.00 176.91 177.29 2wh4 s PHE 104 N -3.37 2.39 -0.29 -0.22 2.99 -1.15 0.16 117.98 118.49 2wh4 s PHE 104 Ca -0.08 -0.66 -0.18 0.00 0.00 0.00 0.00 56.93 56.01 2wh4 s PHE 104 Cb 0.01 -1.91 0.17 0.00 0.00 0.00 0.00 43.02 41.29 2wh4 s PHE 104 CO 0.24 0.10 1.14 -1.83 -0.00 0.00 0.00 175.22 174.87 2wh4 s GLU 105 N -3.95 0.23 0.19 0.44 -1.05 -0.83 -0.44 118.70 113.28 2wh4 s GLU 105 Ca 0.36 0.37 0.01 0.00 -0.15 0.00 0.00 54.97 55.57 2wh4 s GLU 105 Cb 0.03 0.06 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 2wh4 s GLU 105 CO 0.20 -0.04 0.34 0.14 0.95 0.00 0.00 175.26 176.85 2wh4 s VAL 106 N 0.99 5.27 0.02 1.83 -7.23 0.26 0.10 120.40 121.63 2wh4 s VAL 106 Ca -0.06 -0.59 -0.06 0.00 -1.81 0.00 0.00 61.98 59.47 2wh4 s VAL 106 Cb -0.03 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 33.14 2wh4 s VAL 106 CO -0.12 -0.17 0.10 0.00 -0.31 0.00 0.00 175.10 174.60 2wh4 s ALA 107 N -1.84 -0.17 -1.04 1.32 0.00 0.29 -1.44 121.76 118.88 2wh4 s ALA 107 Ca 0.36 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2wh4 s ALA 107 Cb -0.11 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 2wh4 s ALA 107 CO 0.29 -0.23 0.88 0.41 0.00 0.00 0.00 175.76 177.10 2wh4 n GLY 108 N 1.26 -0.39 3.38 0.00 0.00 -1.26 -1.15 105.19 107.03 2wh4 n GLY 108 Ca -0.22 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2wh4 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh4 s VAL 109 N -3.32 0.03 0.54 1.61 1.01 -1.26 -3.54 120.40 115.47 2wh4 s VAL 109 Ca 0.07 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2wh4 s VAL 109 Cb -0.01 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 2wh4 s VAL 109 CO 0.65 -0.15 1.10 0.42 0.00 0.00 0.00 175.10 177.13 2wh4 s THR 110 N -3.20 3.34 0.61 3.92 -4.23 -1.26 -4.80 115.64 110.02 2wh4 s THR 110 Ca -0.01 0.80 0.31 0.00 -1.18 0.00 0.00 61.69 61.61 2wh4 s THR 110 Cb 0.00 -3.31 0.37 0.00 1.34 0.00 0.00 72.50 70.90 2wh4 s THR 110 CO -0.08 -0.21 2.18 1.05 -0.54 0.00 0.00 174.62 177.02 2wh4 h GLU 111 N 1.12 0.00 -0.10 3.99 4.11 -2.02 0.35 114.58 122.04 2wh4 h GLU 111 Ca -0.49 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 2wh4 h GLU 111 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2wh4 h GLU 111 CO 0.57 0.00 0.06 1.05 0.07 0.00 0.00 179.01 180.76 2wh4 h GLU 112 N 0.00 0.14 0.00 1.06 4.11 -1.97 -1.94 114.58 115.98 2wh4 h GLU 112 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2wh4 h GLU 112 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2wh4 h GLU 112 CO -0.00 0.18 -0.16 1.04 0.07 0.00 0.00 179.01 180.14 2wh4 n GLN 113 N -4.97 0.10 -0.02 1.06 6.02 0.92 -4.02 117.38 116.48 2wh4 n GLN 113 Ca -0.05 0.06 -0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2wh4 n GLN 113 Cb 0.07 -1.60 -0.00 0.00 1.02 0.00 0.00 30.24 29.74 2wh4 n GLN 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wh4 h ALA 114 N 2.83 0.00 0.00 -1.58 0.00 -0.34 -2.62 119.26 117.55 2wh4 h ALA 114 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wh4 h ALA 114 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wh4 h ALA 114 CO 0.00 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.94 2wh4 n MET 115 N -2.99 0.16 0.00 0.00 2.81 -0.76 -1.56 117.12 114.78 2wh4 n MET 115 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2wh4 n MET 115 Cb 0.01 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 2wh4 n MET 115 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wh4 n GLU 116 N 0.88 0.00 0.04 0.03 4.07 -1.25 -4.37 120.64 120.05 2wh4 n GLU 116 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.17 2wh4 n GLU 116 Cb 0.08 -0.14 0.30 0.00 -0.06 0.00 0.00 31.44 31.62 2wh4 n GLU 116 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wh4 n ALA 117 N -2.35 1.42 -0.12 4.31 0.00 -0.60 -1.15 120.51 122.01 2wh4 n ALA 117 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.20 2wh4 n ALA 117 Cb 0.04 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.17 2wh4 n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh4 n LEU 118 N -1.73 2.06 -0.21 0.00 4.77 -0.77 -3.57 117.00 117.55 2wh4 n LEU 118 Ca 0.02 0.32 0.27 0.00 -0.03 0.00 0.00 56.01 56.58 2wh4 n LEU 118 Cb 0.12 -0.89 0.67 0.00 -2.33 0.00 0.00 43.42 40.99 2wh4 n LEU 118 CO 0.11 0.53 1.25 -0.09 -1.33 0.00 0.00 177.39 177.86 2wh4 h ARG 119 N -0.86 0.11 0.03 3.23 2.43 -1.54 0.20 114.38 117.99 2wh4 h ARG 119 Ca -0.57 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.49 2wh4 h ARG 119 Cb 1.57 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 31.11 2wh4 h ARG 119 CO -0.31 0.07 -0.43 0.82 -1.51 0.00 0.00 179.97 178.62 2wh4 h ILE 120 N 0.11 1.54 -0.83 1.20 1.08 -1.31 -3.26 117.51 116.04 2wh4 h ILE 120 Ca 0.45 -2.16 0.04 0.00 -0.39 0.00 0.00 64.86 62.81 2wh4 h ILE 120 Cb 1.61 2.90 -0.05 0.00 -3.07 0.00 0.00 36.82 38.21 2wh4 h ILE 120 CO -0.06 0.60 0.53 0.00 -0.69 0.00 0.00 178.15 178.53 2wh4 h ALA 121 N 0.20 1.11 -1.01 1.87 0.00 -1.08 -2.11 119.26 118.24 2wh4 h ALA 121 Ca -0.06 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.06 2wh4 h ALA 121 Cb 1.22 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 2wh4 h ALA 121 CO 0.08 0.34 0.64 0.78 0.00 0.00 0.00 179.25 181.09 2wh4 h GLY 122 N 1.02 1.43 1.99 0.00 0.00 -0.74 0.59 103.07 107.35 2wh4 h GLY 122 Ca 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2wh4 h GLY 122 CO -0.13 -0.13 0.00 1.42 0.00 0.00 0.00 176.54 177.70 2wh4 n HIS 123 N -4.69 0.00 1.15 5.60 -0.00 -0.79 -1.85 115.22 114.63 2wh4 n HIS 123 Ca 0.25 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.09 2wh4 n HIS 123 Cb 0.78 -0.49 0.22 0.00 -0.00 0.00 0.00 29.99 30.49 2wh4 n HIS 123 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2wh4 n LYS 124 N -1.49 1.98 -4.30 -0.41 4.76 0.20 -4.91 118.16 113.99 2wh4 n LYS 124 Ca 0.04 -1.52 -0.33 0.00 -2.87 0.00 0.00 58.31 53.63 2wh4 n LYS 124 Cb 0.19 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 31.83 2wh4 n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wh4 s LEU 125 N -2.07 3.55 0.00 -0.35 1.43 -0.77 -4.89 118.68 115.59 2wh4 s LEU 125 Ca 0.30 0.04 0.12 0.00 -1.03 0.00 0.00 54.13 53.56 2wh4 s LEU 125 Cb 0.20 -1.98 0.68 0.00 0.03 0.00 0.00 46.19 45.12 2wh4 s LEU 125 CO 0.35 0.31 1.19 -0.81 0.23 0.00 0.00 176.35 177.61 2wh4 n PRO 126 N 1.58 0.31 -4.52 1.29 -0.04 -1.26 -4.79 135.00 127.57 2wh4 n PRO 126 Ca -0.15 0.05 -0.26 0.00 -0.04 0.00 0.00 63.50 63.10 2wh4 n PRO 126 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 2wh4 n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wh4 s ILE 127 N -2.17 0.51 -0.00 0.52 -4.36 -1.26 -5.11 121.20 109.33 2wh4 s ILE 127 Ca 0.16 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.36 2wh4 s ILE 127 Cb 0.08 -2.30 -0.06 0.00 1.25 0.00 0.00 42.46 41.44 2wh4 s ILE 127 CO 0.15 0.00 0.53 -0.54 0.24 0.00 0.00 174.94 175.32 2wh4 s LYS 128 N -3.66 4.20 0.26 0.37 1.02 -1.26 -4.96 119.74 115.71 2wh4 s LYS 128 Ca 0.23 0.62 0.06 0.00 0.02 0.00 0.00 55.97 56.89 2wh4 s LYS 128 Cb 0.02 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 2wh4 s LYS 128 CO 0.15 0.48 -0.05 0.95 -0.92 0.00 0.00 175.35 175.96 2wh4 s THR 129 N -0.50 1.47 0.01 2.17 -4.23 -1.26 -0.65 115.64 112.65 2wh4 s THR 129 Ca 0.28 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.68 2wh4 s THR 129 Cb -0.18 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 2wh4 s THR 129 CO 0.16 -0.33 0.01 -0.75 -0.54 0.00 0.00 174.62 173.17 2wh4 s LYS 130 N -3.76 0.23 0.08 3.99 2.47 0.40 -4.90 119.74 118.24 2wh4 s LYS 130 Ca 0.29 -0.34 -0.09 0.00 -1.56 0.00 0.00 55.97 54.26 2wh4 s LYS 130 Cb 0.04 0.09 -0.06 0.00 -1.46 0.00 0.00 37.83 36.44 2wh4 s LYS 130 CO 0.10 -0.04 0.39 0.42 0.16 0.00 0.00 175.35 176.39 2wh4 s ILE 131 N -0.90 5.11 0.07 5.43 1.01 -1.26 -0.86 121.20 129.80 2wh4 s ILE 131 Ca -0.10 0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 2wh4 s ILE 131 Cb -0.06 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 2wh4 s ILE 131 CO -0.00 0.27 0.06 0.68 0.00 0.00 0.00 174.94 175.95 2wh4 s VAL 132 N -1.41 0.18 0.04 2.92 -7.23 -0.92 -4.98 120.40 108.99 2wh4 s VAL 132 Ca 0.33 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 2wh4 s VAL 132 Cb -0.14 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 2wh4 s VAL 132 CO 0.18 -0.81 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.42 2wh4 s ARG 133 N -3.92 0.94 0.07 4.82 3.52 -1.26 -1.02 118.95 122.11 2wh4 s ARG 133 Ca 0.08 -0.76 -0.33 0.00 -0.13 0.00 0.00 55.73 54.60 2wh4 s ARG 133 Cb 0.07 -0.95 -0.17 0.00 -1.56 0.00 0.00 34.95 32.33 2wh4 s ARG 133 CO -0.09 0.24 0.79 0.54 -0.81 0.00 0.00 175.30 175.97 2wh4 n ARG 134 N 1.91 0.00 0.00 5.12 1.74 -0.93 -4.89 116.66 119.61 2wh4 n ARG 134 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 2wh4 n ARG 134 Cb 0.55 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 2wh4 n ARG 134 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wh4 n ASP 135 N 1.57 0.00 0.00 0.55 8.00 -1.26 -5.08 116.55 120.34 2wh4 n ASP 135 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2wh4 n ASP 135 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2wh4 n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wh4 n ALA 136 N -3.00 -0.17 -2.44 2.24 0.00 -1.26 -4.51 120.51 111.36 2wh4 n ALA 136 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2wh4 n ALA 136 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 2wh4 n ALA 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2wh4 s TYR 137 N -2.19 2.97 0.04 0.00 6.14 -1.26 -4.97 117.35 118.07 2wh4 s TYR 137 Ca 0.00 1.09 -0.02 0.00 0.64 0.00 0.00 57.07 58.77 2wh4 s TYR 137 Cb 0.00 -3.47 -0.02 0.00 0.42 0.00 0.00 41.96 38.88 2wh4 s TYR 137 CO 0.00 -1.54 0.01 -0.51 0.64 0.00 0.00 175.55 174.15 2wh4 s ASP 138 N 1.80 0.31 -1.18 4.32 1.01 -1.26 -4.77 116.67 116.90 2wh4 s ASP 138 Ca 0.55 -0.71 -0.10 0.00 0.71 0.00 0.00 52.55 53.00 2wh4 s ASP 138 Cb -0.22 0.18 0.22 0.00 1.01 0.00 0.00 42.92 44.11 2wh4 s ASP 138 CO 0.16 -0.49 1.45 -0.62 0.21 0.00 0.00 175.17 175.89 2wh4 n GLU 139 N 0.73 3.63 -1.43 8.23 -0.58 -1.26 -4.96 120.64 124.99 2wh4 n GLU 139 Ca -0.18 -4.05 -0.01 0.00 -0.42 0.00 0.00 57.16 52.50 2wh4 n GLU 139 Cb 0.59 -2.81 0.00 0.00 -0.57 0.00 0.00 31.44 28.65 2wh4 n GLU 139 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wh4 n ALA 140 N 3.87 -0.25 -1.99 0.62 0.00 -1.26 -5.30 120.51 116.21 2wh4 n ALA 140 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2wh4 n ALA 140 Cb 0.39 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2wh4 n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54