#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg n PHE 6 N 0.00 -0.85 -0.01 2.11 3.01 -1.26 -4.95 117.46 115.51 2wdg n PHE 6 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 2wdg n PHE 6 Cb 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.35 2wdg n PHE 6 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2wdg h GLU 7 N 0.00 0.21 -5.48 -1.08 4.57 -1.22 -3.48 114.58 108.10 2wdg h GLU 7 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2wdg h GLU 7 Cb 0.00 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2wdg h GLU 7 CO 0.00 1.01 -1.03 -1.91 -1.18 0.00 0.00 179.01 175.89 2wdg n GLU 8 N -4.41 -2.82 -4.32 1.92 2.13 -1.26 -4.93 120.64 106.95 2wdg n GLU 8 Ca -0.10 2.35 -0.33 0.00 0.66 0.00 0.00 57.16 59.73 2wdg n GLU 8 Cb 0.58 -3.98 -0.16 0.00 0.27 0.00 0.00 31.44 28.15 2wdg n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2wdg s LYS 9 N -1.19 3.04 0.02 5.31 2.20 0.14 -4.98 119.74 124.28 2wdg s LYS 9 Ca -0.05 -0.82 -0.18 0.00 -0.36 0.00 0.00 55.97 54.56 2wdg s LYS 9 Cb 0.00 -2.56 -0.06 0.00 -1.51 0.00 0.00 37.83 33.71 2wdg s LYS 9 CO 0.55 -0.13 0.52 1.41 -0.36 0.00 0.00 175.35 177.35 2wdg s MET 10 N 1.11 4.17 0.00 4.03 -2.45 -1.26 -0.22 119.30 124.67 2wdg s MET 10 Ca 0.00 0.62 0.00 0.00 -1.25 0.00 0.00 55.69 55.06 2wdg s MET 10 Cb -0.14 -3.28 0.00 0.00 1.25 0.00 0.00 34.83 32.66 2wdg s MET 10 CO -0.08 0.54 0.00 -0.89 1.05 0.00 0.00 175.02 175.65 2wdg n ILE 11 N 2.17 0.00 -3.35 10.11 5.41 0.39 -4.93 119.36 129.17 2wdg n ILE 11 Ca -0.10 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.39 2wdg n ILE 11 Cb 0.51 -0.35 -0.02 0.00 -0.71 0.00 0.00 39.64 39.07 2wdg n ILE 11 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2wdg s LEU 12 N 0.00 4.02 -0.22 1.39 1.98 -1.23 -4.89 118.68 119.72 2wdg s LEU 12 Ca 0.00 0.54 -0.10 0.00 -2.89 0.00 0.00 54.13 51.68 2wdg s LEU 12 Cb 0.00 -3.39 0.09 0.00 0.66 0.00 0.00 46.19 43.55 2wdg s LEU 12 CO 0.00 -0.27 0.50 -0.63 -1.89 0.00 0.00 176.35 174.06 2wdg s ILE 13 N -2.25 -0.42 0.22 6.68 1.01 -1.26 -0.63 121.20 124.55 2wdg s ILE 13 Ca 0.41 0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.18 2wdg s ILE 13 Cb -0.10 -0.76 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 2wdg s ILE 13 CO 0.35 0.04 0.01 0.00 0.00 0.00 0.00 174.94 175.34 2wdg s ARG 14 N 2.15 1.31 -0.67 2.79 1.70 -1.05 -4.97 118.95 120.21 2wdg s ARG 14 Ca -0.06 -1.66 0.04 0.00 -0.47 0.00 0.00 55.73 53.58 2wdg s ARG 14 Cb -0.10 -0.49 0.31 0.00 -0.57 0.00 0.00 34.95 34.10 2wdg s ARG 14 CO -0.15 -0.14 0.99 -2.13 -1.08 0.00 0.00 175.30 172.80 2wdg n ARG 15 N -0.39 3.28 -0.39 3.89 0.63 -1.26 -2.00 116.66 120.41 2wdg n ARG 15 Ca -0.05 -4.77 -0.11 0.00 -0.92 0.00 0.00 57.85 52.01 2wdg n ARG 15 Cb 0.64 -2.28 0.10 0.00 0.45 0.00 0.00 32.46 31.37 2wdg n ARG 15 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2wdg n THR 16 N 0.24 0.00 -3.79 5.15 -2.24 -0.97 -4.70 114.28 107.97 2wdg n THR 16 Ca 0.32 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.07 2wdg n THR 16 Cb 0.38 -0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2wdg n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdg s ALA 17 N -2.04 -1.65 0.30 6.98 0.00 -1.26 -3.28 121.76 120.80 2wdg s ALA 17 Ca 0.23 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.20 2wdg s ALA 17 Cb -0.04 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 2wdg s ALA 17 CO 0.20 -1.05 0.32 2.89 0.00 0.00 0.00 175.76 178.11 2wdg n ARG 18 N -0.55 0.46 -4.31 0.00 1.85 -1.06 -5.01 116.66 108.04 2wdg n ARG 18 Ca -0.05 -2.71 -0.18 0.00 -1.00 0.00 0.00 57.85 53.91 2wdg n ARG 18 Cb 0.60 2.37 -0.10 0.00 -1.05 0.00 0.00 32.46 34.28 2wdg n ARG 18 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2wdg s MET 19 N -2.98 1.23 -0.28 2.89 -1.94 -1.26 -2.56 119.30 114.40 2wdg s MET 19 Ca 0.31 -1.49 -0.28 0.00 -1.71 0.00 0.00 55.69 52.52 2wdg s MET 19 Cb 0.01 -1.02 0.18 0.00 2.01 0.00 0.00 34.83 36.01 2wdg s MET 19 CO 0.22 0.17 1.34 -1.14 -0.01 0.00 0.00 175.02 175.61 2wdg s GLN 20 N -3.40 0.12 0.53 2.03 0.74 -0.91 -4.94 119.66 113.82 2wdg s GLN 20 Ca 0.18 0.06 -0.16 0.00 0.05 0.00 0.00 55.36 55.50 2wdg s GLN 20 Cb -0.01 0.06 -0.13 0.00 1.10 0.00 0.00 33.01 34.02 2wdg s GLN 20 CO 0.05 -0.03 -0.22 0.00 -0.55 0.00 0.00 175.29 174.54 2wdg n ALA 21 N 0.88 -3.32 0.00 1.58 0.00 -1.26 -1.04 120.51 117.35 2wdg n ALA 21 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wdg n ALA 21 Cb 0.58 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2wdg n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdg n GLY 22 N 2.37 1.90 0.00 0.00 0.00 -1.26 -4.87 105.19 103.33 2wdg n GLY 22 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2wdg n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdg n GLY 23 N 0.00 -0.53 3.73 -0.02 0.00 -0.21 -5.14 105.19 103.03 2wdg n GLY 23 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 2wdg n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wdg s ARG 24 N -1.60 2.65 -0.06 1.61 1.70 -1.26 -2.13 118.95 119.86 2wdg s ARG 24 Ca 0.00 -1.01 0.01 0.00 -0.47 0.00 0.00 55.73 54.25 2wdg s ARG 24 Cb 0.00 -2.49 0.02 0.00 -0.57 0.00 0.00 34.95 31.91 2wdg s ARG 24 CO 0.00 0.46 -0.05 1.03 -1.08 0.00 0.00 175.30 175.66 2wdg s ARG 25 N -3.11 1.01 0.84 3.89 0.52 -1.06 -4.99 118.95 116.06 2wdg s ARG 25 Ca 0.30 -0.14 -0.08 0.00 -0.52 0.00 0.00 55.73 55.29 2wdg s ARG 25 Cb -0.09 -1.04 0.16 0.00 0.52 0.00 0.00 34.95 34.50 2wdg s ARG 25 CO 0.21 -0.12 1.16 -0.06 0.02 0.00 0.00 175.30 176.51 2wdg s PHE 26 N 1.15 1.55 -0.26 -0.53 0.40 -1.26 -2.55 117.98 116.47 2wdg s PHE 26 Ca -0.07 -0.00 -0.26 0.00 -0.60 0.00 0.00 56.93 55.99 2wdg s PHE 26 Cb -0.14 -3.54 0.14 0.00 0.51 0.00 0.00 43.02 39.99 2wdg s PHE 26 CO -0.01 -2.18 1.12 0.50 0.70 0.00 0.00 175.22 175.35 2wdg s ARG 27 N -5.51 0.41 0.20 0.44 3.52 -1.21 -4.93 118.95 111.88 2wdg s ARG 27 Ca 0.70 0.38 0.08 0.00 -0.13 0.00 0.00 55.73 56.76 2wdg s ARG 27 Cb -0.04 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2wdg s ARG 27 CO 0.49 -0.07 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.82 2wdg s PHE 28 N -0.12 2.75 0.10 5.12 0.40 -0.87 -2.30 117.98 123.04 2wdg s PHE 28 Ca 0.03 -0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.24 2wdg s PHE 28 Cb -0.04 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 2wdg s PHE 28 CO -0.07 0.54 -0.16 0.20 0.70 0.00 0.00 175.22 176.44 2wdg s GLY 29 N -3.09 1.03 -0.02 4.36 0.00 -0.85 -1.21 107.32 107.53 2wdg s GLY 29 Ca 0.28 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2wdg s GLY 29 CO 0.18 -1.20 0.02 0.00 0.00 0.00 0.00 173.10 172.10 2wdg s ALA 30 N -1.56 0.18 -0.43 3.20 0.00 -0.76 -2.53 121.76 119.86 2wdg s ALA 30 Ca 0.04 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 2wdg s ALA 30 Cb -0.08 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.83 2wdg s ALA 30 CO 0.03 -0.09 0.32 -1.17 0.00 0.00 0.00 175.76 174.85 2wdg s LEU 31 N 1.00 5.29 -0.16 0.00 1.98 0.20 -1.03 118.68 125.95 2wdg s LEU 31 Ca -0.09 -1.24 -0.01 0.00 -2.89 0.00 0.00 54.13 49.89 2wdg s LEU 31 Cb -0.13 -2.11 -0.01 0.00 0.66 0.00 0.00 46.19 44.60 2wdg s LEU 31 CO -0.02 -0.55 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.09 2wdg s VAL 32 N 1.58 3.11 -0.16 1.68 1.01 -0.48 0.15 120.40 127.30 2wdg s VAL 32 Ca 0.04 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 2wdg s VAL 32 Cb -0.22 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2wdg s VAL 32 CO 0.06 0.50 0.10 -0.69 0.00 0.00 0.00 175.10 175.06 2wdg s VAL 33 N 0.72 5.11 -0.02 2.92 1.01 0.69 -1.47 120.40 129.36 2wdg s VAL 33 Ca -0.05 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2wdg s VAL 33 Cb -0.15 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2wdg s VAL 33 CO 0.02 0.52 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 2wdg s VAL 34 N -0.17 1.24 0.15 2.92 1.01 0.11 0.26 120.40 125.92 2wdg s VAL 34 Ca 0.09 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 2wdg s VAL 34 Cb -0.12 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.25 2wdg s VAL 34 CO 0.01 0.36 0.48 -0.83 0.00 0.00 0.00 175.10 175.11 2wdg s GLY 35 N -0.14 -0.30 0.00 4.51 0.00 -1.26 0.97 107.32 111.10 2wdg s GLY 35 Ca 0.01 0.02 0.19 0.00 0.00 0.00 0.00 44.72 44.94 2wdg s GLY 35 CO 0.00 -0.19 1.02 2.09 0.00 0.00 0.00 173.10 176.02 2wdg n ASP 36 N -0.29 2.16 -2.38 1.64 3.85 -0.66 -0.58 116.55 120.29 2wdg n ASP 36 Ca -0.15 -1.58 -0.19 0.00 -0.71 0.00 0.00 54.79 52.16 2wdg n ASP 36 Cb 0.64 0.25 0.01 0.00 -1.35 0.00 0.00 41.12 40.67 2wdg n ASP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2wdg n ARG 37 N 0.46 -2.78 0.00 0.11 1.74 -0.08 -4.84 116.66 111.27 2wdg n ARG 37 Ca 0.09 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 2wdg n ARG 37 Cb 0.43 -5.45 0.00 0.00 -1.02 0.00 0.00 32.46 26.42 2wdg n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wdg n GLN 38 N -3.18 0.66 0.00 5.56 1.13 -1.26 -4.57 117.38 115.72 2wdg n GLN 38 Ca -0.17 -0.67 0.00 0.00 -1.94 0.00 0.00 57.00 54.22 2wdg n GLN 38 Cb 0.64 -0.65 0.00 0.00 0.11 0.00 0.00 30.24 30.34 2wdg n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wdg n GLY 39 N -0.12 1.17 2.98 1.08 0.00 -0.24 -4.95 105.19 105.11 2wdg n GLY 39 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wdg n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdg s ARG 40 N -0.33 2.03 0.06 1.61 0.52 -1.25 0.29 118.95 121.87 2wdg s ARG 40 Ca 0.00 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2wdg s ARG 40 Cb 0.00 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 2wdg s ARG 40 CO 0.00 -0.31 -0.04 0.14 0.02 0.00 0.00 175.30 175.11 2wdg s VAL 41 N 1.51 0.35 -0.06 3.52 -7.23 -1.02 -1.65 120.40 115.83 2wdg s VAL 41 Ca 0.03 -1.75 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 2wdg s VAL 41 Cb -0.14 -1.44 0.02 0.00 0.56 0.00 0.00 36.38 35.38 2wdg s VAL 41 CO -0.09 -0.91 0.17 -0.83 -0.31 0.00 0.00 175.10 173.12 2wdg s GLY 42 N -2.80 -0.12 -0.16 2.32 0.00 0.27 0.31 107.32 107.14 2wdg s GLY 42 Ca 0.06 0.47 -0.01 0.00 0.00 0.00 0.00 44.72 45.24 2wdg s GLY 42 CO -0.08 0.41 -0.11 -2.27 0.00 0.00 0.00 173.10 171.05 2wdg s LEU 43 N 0.10 2.73 -0.01 0.66 2.96 -1.24 0.09 118.68 123.98 2wdg s LEU 43 Ca -0.00 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 2wdg s LEU 43 Cb -0.01 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 2wdg s LEU 43 CO 0.00 0.10 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.23 2wdg s GLY 44 N 0.73 0.37 -0.22 7.98 0.00 -0.54 -4.59 107.32 111.05 2wdg s GLY 44 Ca -0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.30 2wdg s GLY 44 CO 0.02 -0.25 0.00 -0.12 0.00 0.00 0.00 173.10 172.74 2wdg s PHE 45 N -0.15 3.02 -0.36 1.90 2.19 -1.26 -1.38 117.98 121.93 2wdg s PHE 45 Ca 0.02 -0.61 -0.02 0.00 0.33 0.00 0.00 56.93 56.66 2wdg s PHE 45 Cb -0.03 -2.12 0.09 0.00 -1.31 0.00 0.00 43.02 39.64 2wdg s PHE 45 CO -0.00 -0.37 0.12 0.20 1.83 0.00 0.00 175.22 177.00 2wdg s GLY 46 N 1.29 1.91 -0.26 13.12 0.00 -0.20 -4.77 107.32 118.41 2wdg s GLY 46 Ca 0.04 -2.27 -0.15 0.00 0.00 0.00 0.00 44.72 42.34 2wdg s GLY 46 CO 0.01 0.90 0.36 0.54 0.00 0.00 0.00 173.10 174.92 2wdg s LYS 47 N 1.16 4.05 0.06 2.90 3.01 -1.26 -1.84 119.74 127.81 2wdg s LYS 47 Ca 0.04 0.05 -0.23 0.00 -1.01 0.00 0.00 55.97 54.82 2wdg s LYS 47 Cb -0.21 -3.63 0.06 0.00 -1.01 0.00 0.00 37.83 33.04 2wdg s LYS 47 CO -0.03 -0.22 0.55 0.00 0.51 0.00 0.00 175.35 176.16 2wdg s ALA 48 N 1.88 -1.41 0.64 5.17 0.00 -0.35 -4.95 121.76 122.74 2wdg s ALA 48 Ca 0.15 0.64 0.15 0.00 0.00 0.00 0.00 51.96 52.90 2wdg s ALA 48 Cb -0.15 0.43 0.67 0.00 0.00 0.00 0.00 23.12 24.06 2wdg s ALA 48 CO 0.09 -0.54 1.33 -1.35 0.00 0.00 0.00 175.76 175.30 2wdg h PRO 49 N 2.67 0.00 -3.97 0.00 0.11 -1.91 -2.32 132.00 126.58 2wdg h PRO 49 Ca -0.31 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.69 2wdg h PRO 49 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.20 2wdg h PRO 49 CO 0.41 0.00 -0.41 -2.00 -0.21 0.00 0.00 178.00 175.78 2wdg s GLU 50 N -4.17 0.97 0.04 1.05 2.56 -1.26 -4.61 118.70 113.27 2wdg s GLU 50 Ca -0.02 -1.14 -0.23 0.00 0.00 0.00 0.00 54.97 53.59 2wdg s GLU 50 Cb 0.06 0.33 -0.13 0.00 2.00 0.00 0.00 34.13 36.40 2wdg s GLU 50 CO 0.21 -0.32 1.34 0.28 -0.56 0.00 0.00 175.26 176.21 2wdg h VAL 51 N 2.71 0.00 -0.38 3.70 2.07 -1.92 -0.29 116.25 122.14 2wdg h VAL 51 Ca -0.33 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.23 2wdg h VAL 51 Cb 1.21 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 2wdg h VAL 51 CO 0.54 0.00 -0.42 -0.65 0.02 0.00 0.00 177.57 177.06 2wdg h PRO 52 N -0.82 -0.24 -0.93 1.57 0.11 -1.98 0.20 132.00 129.91 2wdg h PRO 52 Ca -0.08 0.02 0.26 0.00 0.11 0.00 0.00 66.00 66.31 2wdg h PRO 52 Cb 0.63 0.05 -0.14 0.00 0.11 0.00 0.00 31.00 31.65 2wdg h PRO 52 CO 0.14 -0.16 0.37 -0.07 -0.21 0.00 0.00 178.00 178.07 2wdg h LEU 53 N -0.25 0.22 0.20 2.35 4.07 -1.95 0.38 115.31 120.33 2wdg h LEU 53 Ca 0.07 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 2wdg h LEU 53 Cb 0.42 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.37 2wdg h LEU 53 CO -0.49 -0.13 -0.10 0.00 -1.08 0.00 0.00 178.44 176.64 2wdg h ALA 54 N 1.80 -0.27 -0.34 1.53 0.00 0.11 0.34 119.26 122.44 2wdg h ALA 54 Ca 0.62 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 2wdg h ALA 54 Cb 1.30 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2wdg h ALA 54 CO -0.62 -0.55 0.21 0.28 0.00 0.00 0.00 179.25 178.57 2wdg h VAL 55 N -0.48 1.11 0.23 0.00 2.07 0.83 0.49 116.25 120.50 2wdg h VAL 55 Ca -0.03 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2wdg h VAL 55 Cb 0.36 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2wdg h VAL 55 CO 0.05 0.11 -0.25 -0.61 0.02 0.00 0.00 177.57 176.88 2wdg h GLN 56 N 0.44 -0.50 -0.96 1.57 -0.00 -0.28 0.11 115.11 115.49 2wdg h GLN 56 Ca 0.12 0.03 0.18 0.00 -0.00 0.00 0.00 58.65 58.98 2wdg h GLN 56 Cb -0.01 0.11 -0.10 0.00 0.00 0.00 0.00 27.48 27.48 2wdg h GLN 56 CO -0.02 -0.33 0.55 -0.22 0.00 0.00 0.00 178.83 178.80 2wdg h LYS 57 N -0.52 0.69 -0.55 1.69 3.64 0.16 0.20 116.57 121.88 2wdg h LYS 57 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2wdg h LYS 57 Cb 0.49 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2wdg h LYS 57 CO -0.07 0.46 0.20 0.00 -2.27 0.00 0.00 179.45 177.77 2wdg h ALA 58 N 1.62 0.72 -0.85 5.00 0.00 0.10 -1.80 119.26 124.05 2wdg h ALA 58 Ca 0.54 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.37 2wdg h ALA 58 Cb 0.83 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 2wdg h ALA 58 CO -0.38 0.36 0.50 0.78 0.00 0.00 0.00 179.25 180.51 2wdg h GLY 59 N 0.76 1.32 0.65 0.00 0.00 0.19 0.35 103.07 106.34 2wdg h GLY 59 Ca 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2wdg h GLY 59 CO -0.01 0.17 -0.07 -1.82 0.00 0.00 0.00 176.54 174.80 2wdg h TYR 60 N 0.86 -0.18 -0.39 5.60 3.20 -0.97 -2.18 116.97 122.91 2wdg h TYR 60 Ca 0.40 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.28 2wdg h TYR 60 Cb 0.33 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2wdg h TYR 60 CO -0.05 0.16 0.26 1.88 -1.64 0.00 0.00 178.16 178.77 2wdg h TYR 61 N -0.55 0.44 0.00 -3.82 0.05 -1.04 -0.10 116.97 111.95 2wdg h TYR 61 Ca -0.02 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2wdg h TYR 61 Cb 0.42 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.02 2wdg h TYR 61 CO 0.04 0.27 0.00 0.00 -1.05 0.00 0.00 178.16 177.41 2wdg n ALA 62 N -2.49 -0.16 -0.36 3.88 0.00 0.12 -2.64 120.51 118.86 2wdg n ALA 62 Ca 0.03 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.76 2wdg n ALA 62 Cb 0.11 0.04 0.55 0.00 0.00 0.00 0.00 19.45 20.14 2wdg n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdg h ARG 63 N 0.00 0.21 -0.00 0.00 3.08 -1.35 0.91 114.38 117.23 2wdg h ARG 63 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wdg h ARG 63 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2wdg h ARG 63 CO 0.00 0.14 0.00 -2.13 -1.07 0.00 0.00 179.97 176.91 2wdg n ARG 64 N -4.92 0.09 -3.42 0.04 3.00 -0.06 -4.36 116.66 107.04 2wdg n ARG 64 Ca 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.20 2wdg n ARG 64 Cb 1.15 -1.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.56 2wdg n ARG 64 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2wdg s ASN 65 N -1.88 -0.40 0.00 6.15 2.47 0.31 -5.00 114.94 116.59 2wdg s ASN 65 Ca 0.00 0.57 0.00 0.00 0.42 0.00 0.00 52.86 53.85 2wdg s ASN 65 Cb 0.00 1.39 0.00 0.00 -1.45 0.00 0.00 41.25 41.19 2wdg s ASN 65 CO 0.00 -0.08 0.00 0.23 -3.72 0.00 0.00 177.10 173.53 2wdg n MET 66 N 4.49 0.00 -3.61 0.43 2.81 -1.26 -3.64 117.12 116.34 2wdg n MET 66 Ca -0.11 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.62 2wdg n MET 66 Cb 0.54 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.98 2wdg n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2wdg s VAL 67 N -2.24 0.02 -0.69 2.03 0.11 0.15 -4.92 120.40 114.85 2wdg s VAL 67 Ca 0.00 -0.17 -0.20 0.00 -2.93 0.00 0.00 61.98 58.68 2wdg s VAL 67 Cb 0.00 -0.86 0.10 0.00 -1.53 0.00 0.00 36.38 34.09 2wdg s VAL 67 CO 0.00 -0.09 0.90 -1.83 -3.33 0.00 0.00 175.10 170.75 2wdg s GLU 68 N -1.18 3.20 -0.52 1.54 -1.05 -1.26 -2.42 118.70 117.01 2wdg s GLU 68 Ca -0.12 -1.23 -0.28 0.00 -0.15 0.00 0.00 54.97 53.19 2wdg s GLU 68 Cb -0.02 -4.38 0.02 0.00 -0.44 0.00 0.00 34.13 29.31 2wdg s GLU 68 CO 0.08 -1.70 1.34 0.08 0.95 0.00 0.00 175.26 176.00 2wdg s VAL 69 N 3.20 3.91 0.00 1.83 1.01 0.82 -4.88 120.40 126.30 2wdg s VAL 69 Ca 0.20 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2wdg s VAL 69 Cb -0.17 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2wdg s VAL 69 CO 0.04 -1.07 0.00 -2.65 0.00 0.00 0.00 175.10 171.42 2wdg n PRO 70 N 8.36 0.00 -0.91 2.72 -0.02 -1.26 -4.54 135.00 139.35 2wdg n PRO 70 Ca 0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 2wdg n PRO 70 Cb 0.49 -1.40 -0.09 0.00 -0.02 0.00 0.00 33.50 32.48 2wdg n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wdg n LEU 71 N 1.32 0.54 -4.23 2.45 4.77 -1.26 -4.55 117.00 116.04 2wdg n LEU 71 Ca 0.00 0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 56.05 2wdg n LEU 71 Cb 0.00 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.38 2wdg n LEU 71 CO 0.00 -0.56 0.19 -1.10 -1.33 0.00 0.00 177.39 174.59 2wdg s GLN 72 N 4.35 2.99 -0.99 3.23 -1.52 -0.47 -4.58 119.66 122.68 2wdg s GLN 72 Ca 0.87 -2.27 -0.03 0.00 -1.95 0.00 0.00 55.36 51.98 2wdg s GLN 72 Cb -1.09 -4.10 0.00 0.00 -0.22 0.00 0.00 33.01 27.61 2wdg s GLN 72 CO 0.48 -1.24 0.84 -1.71 -0.25 0.00 0.00 175.29 173.41 2wdg n ASN 73 N 4.13 -3.43 0.00 5.90 4.05 -1.26 -2.54 115.26 122.11 2wdg n ASN 73 Ca 0.05 -0.46 0.00 0.00 0.45 0.00 0.00 54.58 54.62 2wdg n ASN 73 Cb 0.42 -4.09 0.00 0.00 1.23 0.00 0.00 39.78 37.34 2wdg n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wdg n GLY 74 N -1.34 1.88 0.00 8.20 0.00 -1.26 -4.90 105.19 107.77 2wdg n GLY 74 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2wdg n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wdg n THR 75 N -2.00 0.00 -4.15 2.61 5.66 -1.05 -0.50 114.28 114.84 2wdg n THR 75 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 2wdg n THR 75 Cb 0.00 -0.01 -0.07 0.00 -1.55 0.00 0.00 70.33 68.70 2wdg n THR 75 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2wdg s ILE 76 N 0.97 4.03 -0.38 1.09 2.07 -1.26 -1.36 121.20 126.36 2wdg s ILE 76 Ca 0.00 -1.24 0.26 0.00 -1.41 0.00 0.00 60.65 58.26 2wdg s ILE 76 Cb 0.00 -3.02 0.28 0.00 0.13 0.00 0.00 42.46 39.85 2wdg s ILE 76 CO 0.00 -0.07 1.77 1.55 -1.91 0.00 0.00 174.94 176.28 2wdg h PRO 77 N 2.72 0.00 -2.26 3.50 0.13 -1.90 -3.44 132.00 130.76 2wdg h PRO 77 Ca -0.47 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.91 2wdg h PRO 77 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2wdg h PRO 77 CO 0.60 0.00 0.74 -3.38 -0.23 0.00 0.00 178.00 175.73 2wdg s HIS 78 N -3.38 0.04 -0.13 1.56 -3.43 -1.26 -4.99 115.29 103.70 2wdg s HIS 78 Ca 0.04 -0.29 -0.16 0.00 -0.80 0.00 0.00 55.06 53.85 2wdg s HIS 78 Cb 0.09 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.82 2wdg s HIS 78 CO 0.43 -0.59 0.39 -1.21 -2.00 0.00 0.00 174.74 171.76 2wdg s GLU 79 N -2.16 4.26 0.19 -0.38 8.01 -1.26 -4.36 118.70 123.00 2wdg s GLU 79 Ca 0.24 0.29 0.02 0.00 0.01 0.00 0.00 54.97 55.53 2wdg s GLU 79 Cb -0.01 -3.41 -0.05 0.00 -4.31 0.00 0.00 34.13 26.35 2wdg s GLU 79 CO 0.02 0.25 0.03 0.96 0.01 0.00 0.00 175.26 176.52 2wdg s ILE 80 N 0.39 0.64 -0.02 -1.63 -4.36 -0.45 -4.99 121.20 110.78 2wdg s ILE 80 Ca 0.22 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 2wdg s ILE 80 Cb -0.14 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.34 2wdg s ILE 80 CO 0.08 -0.36 -0.01 -1.61 0.24 0.00 0.00 174.94 173.28 2wdg s GLU 81 N -3.95 0.23 -0.06 0.37 2.02 -1.26 -1.32 118.70 114.73 2wdg s GLU 81 Ca 0.27 0.01 -0.00 0.00 0.02 0.00 0.00 54.97 55.27 2wdg s GLU 81 Cb 0.06 -0.33 0.02 0.00 0.10 0.00 0.00 34.13 33.99 2wdg s GLU 81 CO 0.06 -0.05 -0.03 0.08 0.02 0.00 0.00 175.26 175.34 2wdg s VAL 82 N 0.53 0.53 -0.50 2.63 1.01 -0.63 -4.97 120.40 119.00 2wdg s VAL 82 Ca -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 2wdg s VAL 82 Cb -0.08 -0.61 0.11 0.00 0.00 0.00 0.00 36.38 35.80 2wdg s VAL 82 CO -0.01 0.26 0.42 -1.61 0.00 0.00 0.00 175.10 174.16 2wdg s GLU 83 N 1.48 2.87 -1.39 2.72 2.02 -1.26 -2.27 118.70 122.86 2wdg s GLU 83 Ca -0.02 -1.58 -0.09 0.00 0.02 0.00 0.00 54.97 53.30 2wdg s GLU 83 Cb -0.13 -4.14 0.08 0.00 0.10 0.00 0.00 34.13 30.04 2wdg s GLU 83 CO -0.03 -1.18 2.30 0.34 0.02 0.00 0.00 175.26 176.72 2wdg n PHE 84 N 5.15 2.84 0.00 1.61 7.35 0.75 -4.87 117.46 130.30 2wdg n PHE 84 Ca -0.12 -2.89 0.00 0.00 -0.76 0.00 0.00 57.45 53.68 2wdg n PHE 84 Cb 0.42 -2.13 0.00 0.00 0.35 0.00 0.00 39.48 38.11 2wdg n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wdg n GLY 85 N 2.87 0.27 0.21 7.13 0.00 -1.26 -2.72 105.19 111.69 2wdg n GLY 85 Ca 0.56 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 47.01 2wdg n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdg h ALA 86 N -0.69 -0.74 -2.05 4.61 0.00 -1.96 -3.45 119.26 114.99 2wdg h ALA 86 Ca 0.00 -0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.41 2wdg h ALA 86 Cb 0.00 0.65 0.02 0.00 0.00 0.00 0.00 17.79 18.46 2wdg h ALA 86 CO 0.00 -0.79 -0.17 -1.12 0.00 0.00 0.00 179.25 177.16 2wdg s SER 87 N -3.41 5.95 0.18 0.00 0.01 -1.10 -2.64 113.70 112.70 2wdg s SER 87 Ca -0.07 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.44 2wdg s SER 87 Cb 0.03 -1.56 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 2wdg s SER 87 CO 0.26 -0.56 -0.06 -0.75 0.41 0.00 0.00 173.24 172.54 2wdg s LYS 88 N -4.42 1.16 -0.27 12.44 2.20 -0.31 -0.18 119.74 130.37 2wdg s LYS 88 Ca 0.46 -1.53 -0.24 0.00 -0.36 0.00 0.00 55.97 54.29 2wdg s LYS 88 Cb -0.10 -0.60 0.08 0.00 -1.51 0.00 0.00 37.83 35.70 2wdg s LYS 88 CO 0.36 0.00 0.75 -1.50 -0.36 0.00 0.00 175.35 174.60 2wdg s ILE 89 N -3.38 0.00 -0.03 5.43 2.07 -0.96 -2.98 121.20 121.36 2wdg s ILE 89 Ca 0.21 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.53 2wdg s ILE 89 Cb 0.04 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 2wdg s ILE 89 CO 0.04 0.00 -0.25 0.68 -1.91 0.00 0.00 174.94 173.49 2wdg s VAL 90 N 0.47 2.08 -0.09 4.00 -7.23 -0.38 -1.61 120.40 117.64 2wdg s VAL 90 Ca -0.01 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 2wdg s VAL 90 Cb -0.05 -1.72 0.02 0.00 0.56 0.00 0.00 36.38 35.19 2wdg s VAL 90 CO -0.01 0.58 -0.08 -0.76 -0.31 0.00 0.00 175.10 174.51 2wdg s LEU 91 N -0.50 1.33 -0.07 1.32 1.02 -0.44 -2.41 118.68 118.93 2wdg s LEU 91 Ca 0.07 -0.27 0.02 0.00 0.02 0.00 0.00 54.13 53.97 2wdg s LEU 91 Cb -0.11 -0.78 0.01 0.00 0.02 0.00 0.00 46.19 45.34 2wdg s LEU 91 CO 0.00 -0.06 -0.13 -0.54 0.02 0.00 0.00 176.35 175.64 2wdg s LYS 92 N 1.29 1.80 0.37 1.70 1.02 0.22 -1.33 119.74 124.81 2wdg s LYS 92 Ca -0.03 -0.45 -0.27 0.00 0.02 0.00 0.00 55.97 55.24 2wdg s LYS 92 Cb -0.14 -1.47 -0.11 0.00 -0.52 0.00 0.00 37.83 35.58 2wdg s LYS 92 CO -0.03 0.04 1.26 -0.35 -0.92 0.00 0.00 175.35 175.35 2wdg n PRO 93 N 3.77 1.98 -4.43 -1.68 -0.04 -1.26 0.69 135.00 134.04 2wdg n PRO 93 Ca -0.22 0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 63.63 2wdg n PRO 93 Cb 0.52 -2.31 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 2wdg n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdg n ALA 94 N 0.09 0.58 -2.83 0.55 0.00 -1.21 -4.63 120.51 113.06 2wdg n ALA 94 Ca 0.06 -2.29 -0.35 0.00 0.00 0.00 0.00 53.44 50.86 2wdg n ALA 94 Cb 0.37 1.15 -0.05 0.00 0.00 0.00 0.00 19.45 20.92 2wdg n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdg s ALA 95 N -2.86 3.89 0.33 0.00 0.00 -1.26 -4.88 121.76 116.98 2wdg s ALA 95 Ca 0.11 -0.64 -0.27 0.00 0.00 0.00 0.00 51.96 51.16 2wdg s ALA 95 Cb -0.01 -1.99 -0.13 0.00 0.00 0.00 0.00 23.12 20.99 2wdg s ALA 95 CO 0.07 0.67 0.94 -2.30 0.00 0.00 0.00 175.76 175.14 2wdg n PRO 96 N 1.30 1.23 -2.57 0.00 -0.02 -1.26 -2.52 135.00 131.15 2wdg n PRO 96 Ca -0.13 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.72 2wdg n PRO 96 Cb 0.53 -1.83 0.01 0.00 -0.02 0.00 0.00 33.50 32.20 2wdg n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdg n GLY 97 N 1.30 0.47 0.01 -1.23 0.00 -1.26 -4.93 105.19 99.55 2wdg n GLY 97 Ca 0.10 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.61 2wdg n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wdg n THR 98 N -3.36 0.18 -0.19 2.61 -1.04 -1.05 -5.13 114.28 106.31 2wdg n THR 98 Ca -0.02 -0.20 0.02 0.00 -2.04 0.00 0.00 64.05 61.82 2wdg n THR 98 Cb 0.52 -0.15 -0.01 0.00 -1.82 0.00 0.00 70.33 68.88 2wdg n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdg n GLY 99 N 2.32 -1.68 3.26 3.41 0.00 -1.17 -4.70 105.19 106.62 2wdg n GLY 99 Ca -0.05 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 2wdg n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdg s VAL 100 N -1.65 4.42 -0.64 1.61 1.01 -1.24 -3.15 120.40 120.77 2wdg s VAL 100 Ca 0.00 -1.57 -0.21 0.00 0.00 0.00 0.00 61.98 60.20 2wdg s VAL 100 Cb 0.00 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.65 2wdg s VAL 100 CO 0.00 -0.69 0.85 0.27 0.00 0.00 0.00 175.10 175.53 2wdg s ILE 101 N 1.43 4.57 0.14 2.22 -0.00 -1.15 -4.99 121.20 123.43 2wdg s ILE 101 Ca 0.04 -0.71 -0.15 0.00 -0.00 0.00 0.00 60.65 59.83 2wdg s ILE 101 Cb -0.26 -4.60 0.03 0.00 -0.00 0.00 0.00 42.46 37.63 2wdg s ILE 101 CO 0.01 -1.31 0.40 0.00 -0.00 0.00 0.00 174.94 174.05 2wdg s ALA 102 N 3.36 -0.81 1.32 2.27 0.00 -1.26 -2.60 121.76 124.04 2wdg s ALA 102 Ca 0.17 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 2wdg s ALA 102 Cb -0.20 0.73 0.31 0.00 0.00 0.00 0.00 23.12 23.96 2wdg s ALA 102 CO 0.08 -0.67 0.92 0.41 0.00 0.00 0.00 175.76 176.49 2wdg n GLY 103 N -0.24 -3.25 0.00 0.00 0.00 -1.26 -4.63 105.19 95.81 2wdg n GLY 103 Ca -0.14 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2wdg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdg n ALA 104 N -5.09 -0.09 -0.03 4.61 0.00 -1.26 -2.38 120.51 116.27 2wdg n ALA 104 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 2wdg n ALA 104 Cb 0.54 0.24 -0.08 0.00 0.00 0.00 0.00 19.45 20.15 2wdg n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdg h VAL 105 N 0.00 0.00 -1.03 0.00 2.07 -1.98 -0.72 116.25 114.59 2wdg h VAL 105 Ca 0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 2wdg h VAL 105 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 2wdg h VAL 105 CO 0.00 0.00 0.66 1.55 0.02 0.00 0.00 177.57 179.80 2wdg h PRO 106 N -0.45 0.41 0.34 1.57 0.13 -1.92 -1.78 132.00 130.29 2wdg h PRO 106 Ca 0.03 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 2wdg h PRO 106 Cb 0.55 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2wdg h PRO 106 CO -0.39 0.27 -0.16 -0.09 -0.23 0.00 0.00 178.00 177.40 2wdg h ARG 107 N 0.42 -0.44 -0.92 0.86 2.43 -1.09 -2.57 114.38 113.08 2wdg h ARG 107 Ca 0.59 0.03 0.27 0.00 -0.81 0.00 0.00 59.98 60.06 2wdg h ARG 107 Cb 1.45 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 31.06 2wdg h ARG 107 CO -0.30 -0.20 1.18 0.00 -1.51 0.00 0.00 179.97 179.14 2wdg h ALA 108 N -0.91 2.86 0.00 2.80 0.00 -0.29 0.24 119.26 123.96 2wdg h ALA 108 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wdg h ALA 108 Cb 0.44 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wdg h ALA 108 CO 0.08 -1.65 -0.41 -0.89 0.00 0.00 0.00 179.25 176.38 2wdg n ILE 109 N -3.19 1.10 0.14 0.00 5.41 -0.90 -4.33 119.36 117.60 2wdg n ILE 109 Ca 0.21 0.28 0.19 0.00 1.00 0.00 0.00 62.75 64.43 2wdg n ILE 109 Cb 1.46 -2.19 0.75 0.00 -0.71 0.00 0.00 39.64 38.94 2wdg n ILE 109 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wdg h LEU 110 N -0.78 0.00 0.19 1.39 3.38 -0.68 -1.20 115.31 117.61 2wdg h LEU 110 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wdg h LEU 110 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2wdg h LEU 110 CO 0.00 0.00 -0.09 -0.33 0.09 0.00 0.00 178.44 178.11 2wdg h GLU 111 N 0.00 -0.24 0.00 1.13 5.08 -1.23 -0.95 114.58 118.36 2wdg h GLU 111 Ca 0.16 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2wdg h GLU 111 Cb 1.05 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2wdg h GLU 111 CO -0.00 0.08 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.98 2wdg h LEU 112 N -0.59 0.00 -1.59 1.33 3.38 -1.54 -2.17 115.31 114.13 2wdg h LEU 112 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2wdg h LEU 112 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2wdg h LEU 112 CO 0.04 0.05 -0.12 0.00 0.09 0.00 0.00 178.44 178.50 2wdg h ALA 113 N 1.95 1.09 0.00 1.53 0.00 -1.13 -0.18 119.26 122.53 2wdg h ALA 113 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wdg h ALA 113 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wdg h ALA 113 CO 0.01 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2wdg n GLY 114 N -0.23 0.71 3.35 0.00 0.00 -0.82 -1.08 105.19 107.12 2wdg n GLY 114 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2wdg n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdg s VAL 115 N -1.31 2.81 -0.02 1.61 1.01 -0.38 -4.69 120.40 119.44 2wdg s VAL 115 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2wdg s VAL 115 Cb 0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 36.38 34.14 2wdg s VAL 115 CO 0.00 0.54 0.12 0.41 0.00 0.00 0.00 175.10 176.17 2wdg n THR 116 N 3.37 0.06 -3.50 3.92 -1.04 0.34 -4.57 114.28 112.85 2wdg n THR 116 Ca -0.18 -0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.45 2wdg n THR 116 Cb 0.53 0.18 -0.13 0.00 -1.82 0.00 0.00 70.33 69.09 2wdg n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2wdg s ASP 117 N -2.87 2.10 -0.13 8.00 1.01 -1.05 -3.04 116.67 120.69 2wdg s ASP 117 Ca -0.02 -0.65 -0.19 0.00 0.71 0.00 0.00 52.55 52.40 2wdg s ASP 117 Cb 0.04 0.13 0.05 0.00 1.01 0.00 0.00 42.92 44.15 2wdg s ASP 117 CO 0.26 -0.37 0.48 -0.51 0.21 0.00 0.00 175.17 175.24 2wdg s ILE 118 N 2.25 0.01 -0.16 0.77 1.10 -1.19 -3.30 121.20 120.68 2wdg s ILE 118 Ca 0.07 -0.11 -0.07 0.00 -0.51 0.00 0.00 60.65 60.04 2wdg s ILE 118 Cb -0.15 -0.71 -0.04 0.00 0.15 0.00 0.00 42.46 41.70 2wdg s ILE 118 CO -0.22 -0.06 0.06 -0.76 -2.11 0.00 0.00 174.94 171.86 2wdg s LEU 119 N -0.30 3.85 -0.02 8.50 1.43 0.22 -2.92 118.68 129.44 2wdg s LEU 119 Ca -0.05 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 2wdg s LEU 119 Cb -0.03 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2wdg s LEU 119 CO 0.03 0.23 0.27 0.42 0.23 0.00 0.00 176.35 177.53 2wdg s THR 120 N 0.05 0.06 -0.01 5.49 -4.23 -1.07 0.71 115.64 116.63 2wdg s THR 120 Ca 0.06 -0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2wdg s THR 120 Cb -0.12 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.17 2wdg s THR 120 CO 0.01 -0.26 0.04 -0.75 -0.54 0.00 0.00 174.62 173.12 2wdg s LYS 121 N -1.19 0.10 -0.30 3.99 2.47 -1.01 -4.63 119.74 119.17 2wdg s LYS 121 Ca -0.12 -0.04 -0.10 0.00 -1.56 0.00 0.00 55.97 54.15 2wdg s LYS 121 Cb -0.05 0.04 -0.03 0.00 -1.46 0.00 0.00 37.83 36.33 2wdg s LYS 121 CO 0.03 -0.02 0.17 -1.21 0.16 0.00 0.00 175.35 174.48 2wdg s GLU 122 N -0.21 3.61 0.29 4.03 2.02 -1.26 -1.25 118.70 125.93 2wdg s GLU 122 Ca -0.02 -0.54 0.12 0.00 0.02 0.00 0.00 54.97 54.54 2wdg s GLU 122 Cb -0.02 -3.60 -0.05 0.00 0.10 0.00 0.00 34.13 30.57 2wdg s GLU 122 CO 0.00 -0.31 -0.18 -0.51 0.02 0.00 0.00 175.26 174.29 2wdg s LEU 123 N 1.68 2.64 0.00 1.80 1.43 -1.16 -5.01 118.68 120.06 2wdg s LEU 123 Ca 0.06 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 2wdg s LEU 123 Cb -0.16 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.93 2wdg s LEU 123 CO 0.08 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.28 2wdg n GLY 124 N -0.66 0.35 3.52 -3.19 0.00 -1.26 -1.16 105.19 102.79 2wdg n GLY 124 Ca -0.05 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 2wdg n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wdg n SER 125 N 0.06 -0.49 -0.00 1.61 2.88 -1.08 -4.83 113.62 111.77 2wdg n SER 125 Ca 0.00 0.73 0.04 0.00 -1.33 0.00 0.00 58.87 58.31 2wdg n SER 125 Cb 0.00 -1.25 -0.06 0.00 -0.75 0.00 0.00 64.21 62.15 2wdg n SER 125 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2wdg n ARG 126 N -0.51 2.74 -1.69 -1.46 0.63 -1.26 -4.21 116.66 110.89 2wdg n ARG 126 Ca 0.12 -0.03 -0.65 0.00 -0.92 0.00 0.00 57.85 56.37 2wdg n ARG 126 Cb 0.48 -1.01 -0.09 0.00 0.45 0.00 0.00 32.46 32.28 2wdg n ARG 126 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2wdg n ASN 127 N -1.42 0.99 0.00 6.15 2.85 -1.26 -4.72 115.26 117.84 2wdg n ASN 127 Ca 0.00 1.18 0.00 0.00 -0.11 0.00 0.00 54.58 55.65 2wdg n ASN 127 Cb 0.17 -0.90 0.00 0.00 1.24 0.00 0.00 39.78 40.28 2wdg n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2wdg n PRO 128 N 3.49 0.00 -0.30 1.20 -0.02 -1.26 -0.62 135.00 137.48 2wdg n PRO 128 Ca 0.28 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.49 2wdg n PRO 128 Cb -0.02 -1.31 -0.09 0.00 -0.02 0.00 0.00 33.50 32.06 2wdg n PRO 128 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2wdg h ILE 129 N 0.00 0.00 -0.61 4.25 2.04 -1.99 0.24 117.51 121.44 2wdg h ILE 129 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2wdg h ILE 129 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 2wdg h ILE 129 CO 0.00 0.00 0.40 0.78 0.00 0.00 0.00 178.15 179.33 2wdg h ASN 130 N -0.08 0.68 -0.19 1.72 2.35 -1.89 -1.52 115.58 116.65 2wdg h ASN 130 Ca 0.12 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 2wdg h ASN 130 Cb 0.39 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2wdg h ASN 130 CO -0.74 0.49 -0.03 0.40 -1.65 0.00 0.00 177.43 175.91 2wdg h ILE 131 N 0.80 1.27 0.00 2.81 1.08 0.75 -1.82 117.51 122.40 2wdg h ILE 131 Ca 0.23 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 2wdg h ILE 131 Cb -0.06 1.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 2wdg h ILE 131 CO -0.05 0.29 0.00 0.00 -0.69 0.00 0.00 178.15 177.69 2wdg n ALA 132 N -2.34 -0.26 -0.39 1.87 0.00 0.69 0.22 120.51 120.31 2wdg n ALA 132 Ca -0.05 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.74 2wdg n ALA 132 Cb 0.25 0.23 0.62 0.00 0.00 0.00 0.00 19.45 20.55 2wdg n ALA 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdg n TYR 133 N -2.42 0.90 0.13 0.00 4.02 -0.61 0.10 117.16 119.29 2wdg n TYR 133 Ca 0.00 0.91 -0.13 0.00 -0.01 0.00 0.00 57.90 58.67 2wdg n TYR 133 Cb 0.00 -1.33 -0.08 0.00 -0.02 0.00 0.00 39.34 37.91 2wdg n TYR 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdg h ALA 134 N 1.74 -0.35 -0.61 -0.72 0.00 -0.21 -2.80 119.26 116.32 2wdg h ALA 134 Ca 0.84 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.69 2wdg h ALA 134 Cb 2.47 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 20.28 2wdg h ALA 134 CO -0.60 -0.54 -0.25 1.15 0.00 0.00 0.00 179.25 179.01 2wdg h THR 135 N -0.66 0.25 0.00 0.00 2.02 0.51 -2.07 112.91 112.96 2wdg h THR 135 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2wdg h THR 135 Cb 0.46 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2wdg h THR 135 CO 0.06 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.18 2wdg n MET 136 N -5.44 0.00 0.08 6.66 2.00 -0.61 -1.57 117.12 118.23 2wdg n MET 136 Ca 0.06 0.43 0.01 0.00 0.00 0.00 0.00 57.70 58.20 2wdg n MET 136 Cb 0.35 -1.25 0.05 0.00 0.00 0.00 0.00 33.22 32.37 2wdg n MET 136 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2wdg n GLU 137 N -1.51 0.02 -0.04 0.03 0.00 -1.06 0.54 120.64 118.61 2wdg n GLU 137 Ca 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 57.16 57.36 2wdg n GLU 137 Cb 0.00 -2.07 -0.07 0.00 0.00 0.00 0.00 31.44 29.31 2wdg n GLU 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wdg h ALA 138 N 0.32 -0.04 -0.76 4.31 0.00 -0.56 -3.18 119.26 119.35 2wdg h ALA 138 Ca 0.00 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.78 2wdg h ALA 138 Cb 1.03 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2wdg h ALA 138 CO 0.00 -0.05 0.50 -0.07 0.00 0.00 0.00 179.25 179.63 2wdg h LEU 139 N -0.98 0.52 -2.13 0.00 3.38 0.38 0.30 115.31 116.78 2wdg h LEU 139 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2wdg h LEU 139 Cb 0.52 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2wdg h LEU 139 CO 0.01 0.29 -0.05 -0.09 0.09 0.00 0.00 178.44 178.68 2wdg h ARG 140 N 0.56 0.00 -0.67 1.13 2.43 -1.53 -2.11 114.38 114.19 2wdg h ARG 140 Ca 0.37 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.48 2wdg h ARG 140 Cb 0.65 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 2wdg h ARG 140 CO -0.13 0.05 0.07 1.04 -1.51 0.00 0.00 179.97 179.49 2wdg n GLN 141 N -3.35 4.21 -3.41 0.20 6.02 0.11 -4.93 117.38 116.22 2wdg n GLN 141 Ca -0.02 -2.80 -0.38 0.00 -0.01 0.00 0.00 57.00 53.79 2wdg n GLN 141 Cb 0.20 -2.17 -0.06 0.00 1.02 0.00 0.00 30.24 29.23 2wdg n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wdg s LEU 142 N -2.52 4.45 -0.02 1.08 1.43 -0.79 -5.08 118.68 117.22 2wdg s LEU 142 Ca 0.49 1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 54.60 2wdg s LEU 142 Cb 0.38 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.95 2wdg s LEU 142 CO 0.14 0.26 0.03 -0.13 0.23 0.00 0.00 176.35 176.87 2wdg s ARG 143 N -0.78 -0.01 0.54 1.70 1.81 -1.26 -4.94 118.95 116.01 2wdg s ARG 143 Ca 0.25 0.20 -0.09 0.00 -1.72 0.00 0.00 55.73 54.37 2wdg s ARG 143 Cb -0.17 -0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 33.98 2wdg s ARG 143 CO 0.14 -0.19 0.90 0.95 -0.68 0.00 0.00 175.30 176.43 2wdg s THR 144 N 1.21 4.78 0.61 0.02 -4.23 -1.26 -4.82 115.64 111.95 2wdg s THR 144 Ca -0.07 0.61 0.26 0.00 -1.18 0.00 0.00 61.69 61.30 2wdg s THR 144 Cb -0.13 -3.84 0.34 0.00 1.34 0.00 0.00 72.50 70.20 2wdg s THR 144 CO -0.03 -0.94 1.68 0.50 -0.54 0.00 0.00 174.62 175.30 2wdg h LYS 145 N 0.14 0.00 0.00 3.99 3.11 -1.99 -2.39 116.57 119.43 2wdg h LYS 145 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2wdg h LYS 145 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2wdg h LYS 145 CO 0.62 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 177.26 2wdg n ALA 146 N -2.16 0.00 0.09 5.00 0.00 -1.26 -1.76 120.51 120.41 2wdg n ALA 146 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 2wdg n ALA 146 Cb 0.85 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.52 2wdg n ALA 146 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2wdg h ASP 147 N 0.00 0.00 0.28 0.00 -0.00 -1.90 0.68 116.42 115.48 2wdg h ASP 147 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 2wdg h ASP 147 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2wdg h ASP 147 CO 0.00 0.00 -0.13 0.58 -0.00 0.00 0.00 179.24 179.69 2wdg h VAL 148 N 0.00 0.76 -1.00 4.15 2.07 -1.39 -2.84 116.25 118.01 2wdg h VAL 148 Ca 0.22 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2wdg h VAL 148 Cb 2.37 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 33.12 2wdg h VAL 148 CO -0.00 0.11 0.66 -0.33 0.02 0.00 0.00 177.57 178.02 2wdg h GLU 149 N -0.66 1.29 0.00 1.57 4.39 0.12 0.22 114.58 121.51 2wdg h GLU 149 Ca -0.04 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2wdg h GLU 149 Cb 0.46 -0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2wdg h GLU 149 CO 0.06 0.85 0.05 -2.13 -1.16 0.00 0.00 179.01 176.68 2wdg n ARG 150 N -4.41 0.06 -0.09 2.33 0.63 -0.97 -1.07 116.66 113.15 2wdg n ARG 150 Ca 0.12 0.54 -0.09 0.00 -0.92 0.00 0.00 57.85 57.50 2wdg n ARG 150 Cb 0.04 -1.74 -0.13 0.00 0.45 0.00 0.00 32.46 31.07 2wdg n ARG 150 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2wdg n LEU 151 N -1.81 0.19 -3.74 6.15 4.77 0.01 -4.53 117.00 118.05 2wdg n LEU 151 Ca -0.01 -0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 2wdg n LEU 151 Cb 0.06 0.34 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2wdg n LEU 151 CO 0.04 0.45 1.24 0.54 -1.33 0.00 0.00 177.39 178.33 2wdg n ARG 152 N -2.66 4.94 0.00 3.23 1.74 -0.23 -4.95 116.66 118.73 2wdg n ARG 152 Ca -0.28 -4.64 0.00 0.00 -0.77 0.00 0.00 57.85 52.16 2wdg n ARG 152 Cb 1.04 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2wdg n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wdg n LYS 153 N 0.45 3.79 0.00 5.56 4.76 -1.20 -4.90 118.16 126.62 2wdg n LYS 153 Ca 0.38 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 2wdg n LYS 153 Cb 0.29 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 2wdg n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdg n GLY 154 N 5.00 -1.40 0.00 0.72 0.00 -1.26 -5.14 105.19 103.11 2wdg n GLY 154 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2wdg n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11