#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg s PHE 6 N 0.00 3.35 0.05 2.11 2.99 -1.26 -4.58 117.98 120.64 1fjg s PHE 6 Ca 0.00 1.62 0.07 0.00 0.00 0.00 0.00 56.93 58.62 1fjg s PHE 6 Cb 0.00 -2.85 -0.03 0.00 0.00 0.00 0.00 43.02 40.14 1fjg s PHE 6 CO 0.00 -0.07 -0.18 -2.00 -0.00 0.00 0.00 175.22 172.97 1fjg s GLU 7 N -3.07 2.06 -0.16 0.44 2.12 0.23 -4.90 118.70 115.43 1fjg s GLU 7 Ca 0.61 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.95 1fjg s GLU 7 Cb -0.10 -2.19 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1fjg s GLU 7 CO 0.14 0.54 -0.16 -1.21 -0.54 0.00 0.00 175.26 174.03 1fjg s GLU 8 N -1.53 3.19 -0.08 4.30 2.02 -1.26 -1.55 118.70 123.80 1fjg s GLU 8 Ca 0.15 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.41 1fjg s GLU 8 Cb -0.11 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 1fjg s GLU 8 CO 0.06 -0.01 -0.16 0.15 0.02 0.00 0.00 175.26 175.33 1fjg s LYS 9 N 0.87 2.80 -0.73 1.61 1.02 0.10 -4.98 119.74 120.42 1fjg s LYS 9 Ca -0.04 -0.73 -0.19 0.00 0.02 0.00 0.00 55.97 55.03 1fjg s LYS 9 Cb -0.15 -2.42 0.12 0.00 -0.52 0.00 0.00 37.83 34.85 1fjg s LYS 9 CO -0.01 0.45 0.89 1.41 -0.92 0.00 0.00 175.35 177.17 1fjg s MET 10 N -0.28 3.29 0.09 1.68 1.75 -1.26 -0.96 119.30 123.61 1fjg s MET 10 Ca 0.02 -1.48 -0.28 0.00 -1.25 0.00 0.00 55.69 52.70 1fjg s MET 10 Cb -0.13 -4.47 -0.13 0.00 2.84 0.00 0.00 34.83 32.94 1fjg s MET 10 CO 0.03 -1.64 1.65 0.82 -0.65 0.00 0.00 175.02 175.23 1fjg h ILE 11 N 5.78 0.50 -1.58 10.11 1.08 -1.67 -3.47 117.51 128.26 1fjg h ILE 11 Ca -0.11 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.43 1fjg h ILE 11 Cb 1.06 0.50 -0.24 0.00 -3.07 0.00 0.00 36.82 35.08 1fjg h ILE 11 CO 1.08 0.00 0.52 -1.48 -0.69 0.00 0.00 178.15 177.58 1fjg s LEU 12 N -10.19 -0.39 -0.06 1.44 -0.00 -1.23 -4.95 118.68 103.29 1fjg s LEU 12 Ca -0.16 0.50 0.01 0.00 -0.00 0.00 0.00 54.13 54.49 1fjg s LEU 12 Cb 0.06 1.88 0.02 0.00 -0.00 0.00 0.00 46.19 48.15 1fjg s LEU 12 CO 0.64 -0.31 -0.07 0.27 -0.00 0.00 0.00 176.35 176.88 1fjg s ILE 13 N -0.84 0.77 0.25 1.48 -4.36 -1.25 -0.35 121.20 116.90 1fjg s ILE 13 Ca -0.01 -0.24 0.11 0.00 -0.26 0.00 0.00 60.65 60.25 1fjg s ILE 13 Cb -0.01 -0.76 -0.05 0.00 1.25 0.00 0.00 42.46 42.89 1fjg s ILE 13 CO 0.00 0.28 -0.12 0.00 0.24 0.00 0.00 174.94 175.35 1fjg s ARG 14 N 0.97 1.95 -0.01 0.37 1.70 0.91 -4.95 118.95 119.89 1fjg s ARG 14 Ca -0.10 -1.54 0.10 0.00 -0.47 0.00 0.00 55.73 53.72 1fjg s ARG 14 Cb -0.15 -1.98 -0.23 0.00 -0.57 0.00 0.00 34.95 32.02 1fjg s ARG 14 CO 0.00 0.37 0.78 -0.09 -1.08 0.00 0.00 175.30 175.27 1fjg h ARG 15 N 2.32 0.02 -2.26 3.89 1.12 -1.87 -1.04 114.38 116.55 1fjg h ARG 15 Ca -0.43 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.40 1fjg h ARG 15 Cb 1.24 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1fjg h ARG 15 CO 0.58 0.65 -0.13 -2.37 -3.11 0.00 0.00 179.97 175.59 1fjg n THR 16 N -3.14 -0.69 -3.62 0.20 5.66 -1.25 -3.14 114.28 108.31 1fjg n THR 16 Ca -0.14 0.32 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1fjg n THR 16 Cb 1.03 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1fjg n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fjg n ALA 17 N -1.17 0.00 -3.17 1.79 0.00 -1.26 -2.25 120.51 114.45 1fjg n ALA 17 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1fjg n ALA 17 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1fjg n ALA 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1fjg s ARG 18 N -0.85 0.05 0.48 0.00 3.52 -1.23 -4.93 118.95 115.99 1fjg s ARG 18 Ca 0.00 0.10 -0.23 0.00 -0.13 0.00 0.00 55.73 55.47 1fjg s ARG 18 Cb 0.00 0.06 -0.07 0.00 -1.56 0.00 0.00 34.95 33.38 1fjg s ARG 18 CO 0.00 -0.04 1.25 -1.64 -0.81 0.00 0.00 175.30 174.07 1fjg s MET 19 N 2.59 3.59 -0.04 5.12 -1.94 -1.26 -1.40 119.30 125.96 1fjg s MET 19 Ca -0.05 1.99 -0.13 0.00 -1.71 0.00 0.00 55.69 55.79 1fjg s MET 19 Cb -0.05 -2.42 0.02 0.00 2.01 0.00 0.00 34.83 34.39 1fjg s MET 19 CO -0.11 -0.75 0.30 -0.65 -0.01 0.00 0.00 175.02 173.80 1fjg s GLN 20 N -2.68 0.57 -0.50 2.03 -0.21 -0.19 -4.88 119.66 113.79 1fjg s GLN 20 Ca 0.65 -0.02 -0.27 0.00 0.02 0.00 0.00 55.36 55.75 1fjg s GLN 20 Cb -0.34 0.26 -0.08 0.00 1.00 0.00 0.00 33.01 33.84 1fjg s GLN 20 CO 0.42 -0.14 2.42 0.00 -2.12 0.00 0.00 175.29 175.87 1fjg n ALA 21 N 1.78 0.83 0.00 6.09 0.00 -1.26 0.34 120.51 128.29 1fjg n ALA 21 Ca -0.19 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1fjg n ALA 21 Cb 0.56 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.89 1fjg n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fjg n GLY 22 N 6.04 1.45 0.00 0.00 0.00 -1.26 -5.09 105.19 106.33 1fjg n GLY 22 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1fjg n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjg n GLY 23 N 0.00 0.83 3.74 -0.02 0.00 0.15 -5.10 105.19 104.79 1fjg n GLY 23 Ca 0.00 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 1fjg n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjg s ARG 24 N -1.61 4.41 -0.48 1.61 0.52 -1.26 -1.02 118.95 121.11 1fjg s ARG 24 Ca 0.00 0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 55.96 1fjg s ARG 24 Cb 0.00 -3.40 0.12 0.00 0.52 0.00 0.00 34.95 32.19 1fjg s ARG 24 CO 0.00 0.20 0.37 0.50 0.02 0.00 0.00 175.30 176.39 1fjg s ARG 25 N 0.33 2.62 0.64 3.54 3.52 -0.50 -4.96 118.95 124.15 1fjg s ARG 25 Ca 0.35 -1.71 -0.13 0.00 -0.13 0.00 0.00 55.73 54.12 1fjg s ARG 25 Cb -0.18 -4.00 -0.02 0.00 -1.56 0.00 0.00 34.95 29.19 1fjg s ARG 25 CO 0.18 -1.19 1.05 -0.06 -0.81 0.00 0.00 175.30 174.47 1fjg s PHE 26 N 1.43 3.16 0.16 5.12 0.40 -1.26 -3.47 117.98 123.53 1fjg s PHE 26 Ca 0.05 1.44 -0.08 0.00 -0.60 0.00 0.00 56.93 57.73 1fjg s PHE 26 Cb -0.27 -2.89 -0.01 0.00 0.51 0.00 0.00 43.02 40.36 1fjg s PHE 26 CO 0.01 -1.07 0.27 0.50 0.70 0.00 0.00 175.22 175.63 1fjg s ARG 27 N -4.72 1.15 -0.01 0.44 3.52 -0.95 -4.84 118.95 113.53 1fjg s ARG 27 Ca 0.59 -1.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.04 1fjg s ARG 27 Cb -0.14 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.61 1fjg s ARG 27 CO 0.48 -0.41 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.33 1fjg s PHE 28 N -3.98 1.45 -0.09 5.12 0.40 0.41 -3.84 117.98 117.46 1fjg s PHE 28 Ca 0.18 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 1fjg s PHE 28 Cb 0.04 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 1fjg s PHE 28 CO 0.00 -0.02 -0.18 0.20 0.70 0.00 0.00 175.22 175.92 1fjg s GLY 29 N -0.40 1.45 -0.03 4.36 0.00 -0.39 -1.79 107.32 110.52 1fjg s GLY 29 Ca 0.06 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.84 1fjg s GLY 29 CO -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 173.10 172.61 1fjg s ALA 30 N -0.01 0.56 -0.18 3.20 0.00 -1.09 -0.06 121.76 124.19 1fjg s ALA 30 Ca -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.78 1fjg s ALA 30 Cb -0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1fjg s ALA 30 CO 0.05 0.01 0.09 -0.51 0.00 0.00 0.00 175.76 175.39 1fjg s LEU 31 N 0.71 3.97 -0.04 0.00 1.43 0.53 -2.00 118.68 123.28 1fjg s LEU 31 Ca -0.09 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1fjg s LEU 31 Cb -0.12 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1fjg s LEU 31 CO -0.00 0.20 -0.10 -0.69 0.23 0.00 0.00 176.35 176.00 1fjg s VAL 32 N 0.19 0.89 -0.13 -1.59 1.01 0.19 -1.61 120.40 119.35 1fjg s VAL 32 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1fjg s VAL 32 Cb -0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1fjg s VAL 32 CO -0.00 0.29 -0.03 -0.69 0.00 0.00 0.00 175.10 174.67 1fjg s VAL 33 N 0.49 3.98 -0.10 2.92 1.01 -0.13 -0.76 120.40 127.81 1fjg s VAL 33 Ca -0.09 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1fjg s VAL 33 Cb -0.12 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1fjg s VAL 33 CO 0.02 0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 1fjg s VAL 34 N 0.01 1.14 0.24 2.92 1.01 0.39 -0.73 120.40 125.38 1fjg s VAL 34 Ca 0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1fjg s VAL 34 Cb -0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1fjg s VAL 34 CO 0.02 0.37 0.42 -0.83 0.00 0.00 0.00 175.10 175.09 1fjg s GLY 35 N 1.23 0.67 0.00 4.51 0.00 -0.60 0.61 107.32 113.74 1fjg s GLY 35 Ca -0.04 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 43.74 1fjg s GLY 35 CO -0.03 -0.75 0.37 2.09 0.00 0.00 0.00 173.10 174.78 1fjg n ASP 36 N -0.36 0.64 -1.14 1.64 5.75 -1.01 0.78 116.55 122.86 1fjg n ASP 36 Ca -0.01 -0.82 -0.12 0.00 -0.01 0.00 0.00 54.79 53.83 1fjg n ASP 36 Cb 0.63 0.69 -0.03 0.00 -1.03 0.00 0.00 41.12 41.37 1fjg n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1fjg n ARG 37 N -0.67 -0.89 0.00 0.11 1.74 -0.47 -4.84 116.66 111.64 1fjg n ARG 37 Ca 0.02 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1fjg n ARG 37 Cb 0.10 -4.84 0.00 0.00 -1.02 0.00 0.00 32.46 26.70 1fjg n ARG 37 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1fjg n GLN 38 N -2.41 0.13 0.00 5.56 -0.06 -1.26 -4.36 117.38 114.99 1fjg n GLN 38 Ca -0.13 -0.69 0.00 0.00 -2.00 0.00 0.00 57.00 54.18 1fjg n GLN 38 Cb 0.50 -0.92 0.00 0.00 -4.06 0.00 0.00 30.24 25.75 1fjg n GLN 38 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1fjg n GLY 39 N -0.12 1.42 3.12 1.69 0.00 -0.84 -4.95 105.19 105.51 1fjg n GLY 39 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1fjg n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjg s ARG 40 N -0.21 2.65 0.05 1.61 1.81 -1.26 -0.90 118.95 122.70 1fjg s ARG 40 Ca 0.00 -1.08 0.04 0.00 -1.72 0.00 0.00 55.73 52.98 1fjg s ARG 40 Cb 0.00 -2.79 -0.02 0.00 -0.45 0.00 0.00 34.95 31.69 1fjg s ARG 40 CO 0.00 -0.40 -0.13 0.08 -0.68 0.00 0.00 175.30 174.17 1fjg s VAL 41 N 1.22 1.00 -0.02 3.52 1.01 -0.93 -2.39 120.40 123.80 1fjg s VAL 41 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1fjg s VAL 41 Cb -0.17 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1fjg s VAL 41 CO -0.08 -0.11 0.05 -0.83 0.00 0.00 0.00 175.10 174.13 1fjg s GLY 42 N -1.31 0.02 -0.13 4.51 0.00 0.20 -0.04 107.32 110.58 1fjg s GLY 42 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1fjg s GLY 42 CO 0.01 0.42 -0.14 -2.27 0.00 0.00 0.00 173.10 171.12 1fjg s LEU 43 N 0.54 2.67 -0.00 0.66 0.20 -1.18 -0.46 118.68 121.10 1fjg s LEU 43 Ca -0.04 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 54.44 1fjg s LEU 43 Cb -0.06 -1.60 0.00 0.00 -0.43 0.00 0.00 46.19 44.10 1fjg s LEU 43 CO -0.02 0.17 -0.02 -0.83 -0.29 0.00 0.00 176.35 175.36 1fjg s GLY 44 N 0.35 0.12 -0.23 7.98 0.00 0.06 -4.07 107.32 111.53 1fjg s GLY 44 Ca -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.52 1fjg s GLY 44 CO 0.06 -0.01 0.03 -0.12 0.00 0.00 0.00 173.10 173.05 1fjg s PHE 45 N 0.05 1.57 -0.01 1.90 5.36 -1.26 0.55 117.98 126.14 1fjg s PHE 45 Ca -0.00 -1.31 0.05 0.00 -0.96 0.00 0.00 56.93 54.70 1fjg s PHE 45 Cb -0.02 -1.34 -0.01 0.00 -0.34 0.00 0.00 43.02 41.30 1fjg s PHE 45 CO -0.00 -0.72 -0.16 0.20 -1.46 0.00 0.00 175.22 173.08 1fjg s GLY 46 N 1.67 0.78 0.23 13.12 0.00 -0.84 -4.90 107.32 117.38 1fjg s GLY 46 Ca 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 44.72 44.13 1fjg s GLY 46 CO -0.11 -0.54 -0.02 0.54 0.00 0.00 0.00 173.10 172.97 1fjg s LYS 47 N -0.33 2.28 -0.06 2.90 3.01 -1.26 -2.66 119.74 123.63 1fjg s LYS 47 Ca 0.05 -1.31 -0.31 0.00 -1.01 0.00 0.00 55.97 53.39 1fjg s LYS 47 Cb -0.07 -2.21 0.12 0.00 -1.01 0.00 0.00 37.83 34.66 1fjg s LYS 47 CO -0.00 0.40 1.10 0.00 0.51 0.00 0.00 175.35 177.36 1fjg s ALA 48 N -2.06 -1.98 0.44 5.17 0.00 -0.74 -4.74 121.76 117.86 1fjg s ALA 48 Ca 0.29 1.06 0.14 0.00 0.00 0.00 0.00 51.96 53.45 1fjg s ALA 48 Cb -0.08 0.22 1.05 0.00 0.00 0.00 0.00 23.12 24.32 1fjg s ALA 48 CO 0.19 -0.77 2.01 -1.00 0.00 0.00 0.00 175.76 176.19 1fjg h PRO 49 N 2.00 0.36 -6.70 0.00 0.13 -1.88 0.12 132.00 126.02 1fjg h PRO 49 Ca -0.19 -0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.23 1fjg h PRO 49 Cb 1.20 -0.08 -0.22 0.00 0.13 0.00 0.00 31.00 32.03 1fjg h PRO 49 CO 0.26 0.24 -0.83 -1.21 -0.23 0.00 0.00 178.00 176.23 1fjg s GLU 50 N -5.35 1.82 0.13 0.86 2.02 -1.26 -4.55 118.70 112.37 1fjg s GLU 50 Ca -0.07 -1.13 -0.31 0.00 0.02 0.00 0.00 54.97 53.49 1fjg s GLU 50 Cb 0.19 -2.08 -0.07 0.00 0.10 0.00 0.00 34.13 32.27 1fjg s GLU 50 CO 0.74 0.50 1.57 0.28 0.02 0.00 0.00 175.26 178.37 1fjg h VAL 51 N 3.87 0.07 -0.17 2.63 2.07 -1.93 -2.02 116.25 120.77 1fjg h VAL 51 Ca -0.49 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1fjg h VAL 51 Cb 1.16 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1fjg h VAL 51 CO 0.45 0.00 -0.49 -0.65 0.02 0.00 0.00 177.57 176.90 1fjg h PRO 52 N -0.48 -0.50 -1.02 1.57 0.11 -1.96 0.20 132.00 129.91 1fjg h PRO 52 Ca 0.08 0.03 0.28 0.00 0.11 0.00 0.00 66.00 66.50 1fjg h PRO 52 Cb 0.64 0.11 -0.13 0.00 0.11 0.00 0.00 31.00 31.73 1fjg h PRO 52 CO -0.47 -0.33 0.61 -0.07 -0.21 0.00 0.00 178.00 177.53 1fjg h LEU 53 N -0.52 0.57 0.61 2.35 3.38 -1.89 0.26 115.31 120.07 1fjg h LEU 53 Ca 0.06 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1fjg h LEU 53 Cb 0.65 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1fjg h LEU 53 CO -0.44 0.01 -0.29 0.00 0.09 0.00 0.00 178.44 177.80 1fjg h ALA 54 N 1.75 -0.82 -0.79 1.53 0.00 -0.15 -0.73 119.26 120.05 1fjg h ALA 54 Ca 0.68 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.57 1fjg h ALA 54 Cb 1.48 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 19.48 1fjg h ALA 54 CO -0.49 -0.79 0.26 0.28 0.00 0.00 0.00 179.25 178.52 1fjg h VAL 55 N -1.17 0.52 0.29 0.00 2.07 0.61 0.61 116.25 119.19 1fjg h VAL 55 Ca -0.08 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1fjg h VAL 55 Cb 0.66 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1fjg h VAL 55 CO 0.14 0.06 -0.14 1.56 0.02 0.00 0.00 177.57 179.21 1fjg h GLN 56 N 0.34 -0.38 -0.83 1.57 7.50 -0.55 -0.94 115.11 121.81 1fjg h GLN 56 Ca 0.46 0.03 0.16 0.00 0.50 0.00 0.00 58.65 59.80 1fjg h GLN 56 Cb 0.81 0.09 -0.06 0.00 0.05 0.00 0.00 27.48 28.36 1fjg h GLN 56 CO -0.50 -0.10 0.55 -0.22 -1.50 0.00 0.00 178.83 177.05 1fjg h LYS 57 N -0.63 0.49 0.65 1.46 3.64 -0.00 -1.22 116.57 120.96 1fjg h LYS 57 Ca -0.04 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1fjg h LYS 57 Cb 0.45 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1fjg h LYS 57 CO 0.07 0.32 -0.31 0.00 -2.27 0.00 0.00 179.45 177.25 1fjg h ALA 58 N 1.62 -0.88 -0.59 5.00 0.00 0.79 -0.35 119.26 124.85 1fjg h ALA 58 Ca 0.42 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1fjg h ALA 58 Cb 0.89 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1fjg h ALA 58 CO -0.16 -0.95 0.21 0.78 0.00 0.00 0.00 179.25 179.13 1fjg h GLY 59 N -0.97 0.81 0.11 0.00 0.00 -0.58 0.26 103.07 102.70 1fjg h GLY 59 Ca -0.09 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.19 1fjg h GLY 59 CO 0.15 -0.02 -0.27 -1.82 0.00 0.00 0.00 176.54 174.58 1fjg h TYR 60 N 0.39 -0.72 -0.57 5.60 3.20 -1.09 -0.17 116.97 123.61 1fjg h TYR 60 Ca 0.29 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.25 1fjg h TYR 60 Cb 0.36 0.35 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 1fjg h TYR 60 CO -0.17 -0.34 0.31 1.88 -1.64 0.00 0.00 178.16 178.19 1fjg h TYR 61 N -0.28 0.57 -0.03 -3.82 -1.99 0.21 -2.82 116.97 108.81 1fjg h TYR 61 Ca 0.13 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.91 1fjg h TYR 61 Cb 0.49 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 39.01 1fjg h TYR 61 CO -0.41 0.29 -0.16 0.00 -0.00 0.00 0.00 178.16 177.87 1fjg h ALA 62 N 1.29 -0.17 -0.15 3.88 0.00 0.56 -1.04 119.26 123.63 1fjg h ALA 62 Ca 0.25 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1fjg h ALA 62 Cb 0.13 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1fjg h ALA 62 CO -0.15 -0.64 0.23 -0.09 0.00 0.00 0.00 179.25 178.59 1fjg h ARG 63 N -0.25 0.00 -0.04 0.00 2.43 -0.83 0.16 114.38 115.85 1fjg h ARG 63 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1fjg h ARG 63 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1fjg h ARG 63 CO -0.18 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.82 1fjg n ARG 64 N -3.52 1.63 -3.38 0.20 5.12 -0.41 -4.44 116.66 111.87 1fjg n ARG 64 Ca 0.01 -0.93 -0.26 0.00 -1.93 0.00 0.00 57.85 54.74 1fjg n ARG 64 Cb 0.33 -1.47 -0.09 0.00 -1.16 0.00 0.00 32.46 30.07 1fjg n ARG 64 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1fjg n ASN 65 N 0.13 0.08 -4.92 0.55 5.15 0.57 -5.09 115.26 111.73 1fjg n ASN 65 Ca 0.19 -2.55 -0.30 0.00 -0.60 0.00 0.00 54.58 51.32 1fjg n ASN 65 Cb 0.34 -0.59 -0.04 0.00 -0.53 0.00 0.00 39.78 38.95 1fjg n ASN 65 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1fjg s MET 66 N -0.46 3.46 0.03 1.20 -1.94 -1.26 -3.12 119.30 117.21 1fjg s MET 66 Ca 0.33 -0.45 0.07 0.00 -1.71 0.00 0.00 55.69 53.93 1fjg s MET 66 Cb 0.07 -3.00 -0.02 0.00 2.01 0.00 0.00 34.83 33.89 1fjg s MET 66 CO -0.17 0.57 -0.20 0.08 -0.01 0.00 0.00 175.02 175.28 1fjg s VAL 67 N -1.60 1.64 -0.93 -6.03 1.01 0.95 -4.97 120.40 110.46 1fjg s VAL 67 Ca 0.36 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 1fjg s VAL 67 Cb -0.12 -1.41 0.23 0.00 0.00 0.00 0.00 36.38 35.08 1fjg s VAL 67 CO 0.28 0.24 0.91 -0.70 0.00 0.00 0.00 175.10 175.84 1fjg s GLU 68 N -1.05 3.81 -0.08 2.72 2.56 -1.26 -2.19 118.70 123.21 1fjg s GLU 68 Ca 0.07 -2.67 -0.29 0.00 0.00 0.00 0.00 54.97 52.08 1fjg s GLU 68 Cb -0.09 -4.51 -0.05 0.00 2.00 0.00 0.00 34.13 31.48 1fjg s GLU 68 CO 0.01 -1.31 1.70 0.08 -0.56 0.00 0.00 175.26 175.18 1fjg s VAL 69 N -0.12 3.53 -1.01 3.70 1.01 -0.08 -4.90 120.40 122.53 1fjg s VAL 69 Ca 0.23 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 1fjg s VAL 69 Cb -0.10 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 1fjg s VAL 69 CO -0.08 -0.10 2.13 -2.65 0.00 0.00 0.00 175.10 174.39 1fjg n PRO 70 N 7.34 2.10 -0.71 2.72 -0.02 -1.26 -4.65 135.00 140.52 1fjg n PRO 70 Ca 0.18 -1.88 -0.33 0.00 -2.02 0.00 0.00 63.50 59.46 1fjg n PRO 70 Cb 0.43 -2.82 0.16 0.00 -0.02 0.00 0.00 33.50 31.25 1fjg n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1fjg n LEU 71 N 5.88 -1.98 -2.72 2.45 4.77 -1.26 -4.30 117.00 119.83 1fjg n LEU 71 Ca 0.51 -0.03 -0.03 0.00 -0.03 0.00 0.00 56.01 56.43 1fjg n LEU 71 Cb 0.30 -0.99 0.02 0.00 -2.33 0.00 0.00 43.42 40.43 1fjg n LEU 71 CO 0.90 -3.21 0.34 -1.58 -1.33 0.00 0.00 177.39 172.50 1fjg s GLN 72 N -3.41 0.55 -0.50 3.23 0.74 -0.25 -4.87 119.66 115.14 1fjg s GLN 72 Ca 0.55 -0.53 -0.00 0.00 0.05 0.00 0.00 55.36 55.43 1fjg s GLN 72 Cb -0.13 -0.02 0.00 0.00 1.10 0.00 0.00 33.01 33.96 1fjg s GLN 72 CO 0.67 -0.68 0.42 -1.71 -0.55 0.00 0.00 175.29 173.43 1fjg n ASN 73 N 2.77 -2.04 0.00 6.67 4.05 -1.26 -3.12 115.26 122.33 1fjg n ASN 73 Ca 0.14 -0.26 0.00 0.00 0.45 0.00 0.00 54.58 54.91 1fjg n ASN 73 Cb 0.61 -2.43 0.00 0.00 1.23 0.00 0.00 39.78 39.20 1fjg n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1fjg n GLY 74 N -1.05 2.29 0.00 8.20 0.00 -1.26 -4.87 105.19 108.49 1fjg n GLY 74 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1fjg n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fjg n THR 75 N -1.92 0.00 -4.91 2.61 5.66 -1.18 0.57 114.28 115.10 1fjg n THR 75 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1fjg n THR 75 Cb 0.00 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 1fjg n THR 75 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1fjg s ILE 76 N -0.23 2.97 0.41 1.09 1.01 -1.26 -1.09 121.20 124.09 1fjg s ILE 76 Ca 0.00 -0.75 0.33 0.00 0.00 0.00 0.00 60.65 60.23 1fjg s ILE 76 Cb 0.00 -2.17 0.49 0.00 0.01 0.00 0.00 42.46 40.80 1fjg s ILE 76 CO 0.00 0.58 1.32 -0.81 0.00 0.00 0.00 174.94 176.03 1fjg n PRO 77 N 2.51 -0.02 -2.98 2.79 -0.04 -1.26 -4.52 135.00 131.47 1fjg n PRO 77 Ca -0.17 1.01 -0.01 0.00 -0.04 0.00 0.00 63.50 64.29 1fjg n PRO 77 Cb 0.52 -2.10 0.01 0.00 -0.04 0.00 0.00 33.50 31.89 1fjg n PRO 77 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1fjg n HIS 78 N -4.13 -0.78 -3.65 0.54 1.44 -1.26 -5.03 115.22 102.35 1fjg n HIS 78 Ca 0.35 -0.65 -0.34 0.00 -2.01 0.00 0.00 57.72 55.08 1fjg n HIS 78 Cb 1.46 0.31 -0.05 0.00 0.12 0.00 0.00 29.99 31.83 1fjg n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1fjg s GLU 79 N -2.02 3.68 0.11 -1.40 8.01 -1.26 -4.38 118.70 121.43 1fjg s GLU 79 Ca 0.15 0.05 -0.05 0.00 0.01 0.00 0.00 54.97 55.13 1fjg s GLU 79 Cb -0.01 -2.99 -0.02 0.00 -4.31 0.00 0.00 34.13 26.80 1fjg s GLU 79 CO 0.02 0.56 0.13 0.96 0.01 0.00 0.00 175.26 176.94 1fjg s ILE 80 N -1.43 0.14 -0.04 -1.63 -5.25 -0.78 -5.02 121.20 107.19 1fjg s ILE 80 Ca 0.33 -1.55 -0.01 0.00 -0.99 0.00 0.00 60.65 58.43 1fjg s ILE 80 Cb -0.13 -1.66 0.03 0.00 2.95 0.00 0.00 42.46 43.65 1fjg s ILE 80 CO 0.19 -0.61 0.06 -1.61 -1.79 0.00 0.00 174.94 171.17 1fjg s GLU 81 N -3.94 -0.05 -0.05 0.37 2.02 -1.26 -0.95 118.70 114.84 1fjg s GLU 81 Ca 0.13 0.31 0.05 0.00 0.02 0.00 0.00 54.97 55.48 1fjg s GLU 81 Cb 0.06 -0.38 -0.01 0.00 0.10 0.00 0.00 34.13 33.90 1fjg s GLU 81 CO -0.05 -0.26 -0.21 0.08 0.02 0.00 0.00 175.26 174.84 1fjg s VAL 82 N 1.71 1.75 -0.29 2.63 1.01 -0.02 -4.95 120.40 122.24 1fjg s VAL 82 Ca -0.01 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1fjg s VAL 82 Cb -0.12 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1fjg s VAL 82 CO -0.03 0.49 0.06 -1.61 0.00 0.00 0.00 175.10 174.01 1fjg s GLU 83 N -0.07 3.04 -0.23 2.72 2.02 -1.26 -0.87 118.70 124.05 1fjg s GLU 83 Ca -0.04 -0.89 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 1fjg s GLU 83 Cb -0.13 -3.32 0.02 0.00 0.10 0.00 0.00 34.13 30.80 1fjg s GLU 83 CO 0.03 -0.44 -0.09 0.12 0.02 0.00 0.00 175.26 174.89 1fjg s PHE 84 N 1.47 2.99 0.00 1.61 5.36 0.25 -4.95 117.98 124.70 1fjg s PHE 84 Ca 0.02 -1.47 0.00 0.00 -0.96 0.00 0.00 56.93 54.52 1fjg s PHE 84 Cb -0.17 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 1fjg s PHE 84 CO 0.01 -0.71 0.00 0.41 -1.46 0.00 0.00 175.22 173.47 1fjg n GLY 85 N 4.68 2.64 0.72 13.12 0.00 -1.26 -0.82 105.19 124.27 1fjg n GLY 85 Ca -0.18 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.60 1fjg n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjg n ALA 86 N 10.39 2.48 -2.79 4.61 0.00 -1.26 -4.88 120.51 129.06 1fjg n ALA 86 Ca 0.00 -0.66 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 1fjg n ALA 86 Cb 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 1fjg n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1fjg s SER 87 N -1.46 6.36 -0.01 0.00 0.01 0.00 -0.00 113.70 118.59 1fjg s SER 87 Ca 0.33 0.42 0.07 0.00 1.31 0.00 0.00 55.95 58.08 1fjg s SER 87 Cb 0.18 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 1fjg s SER 87 CO 0.26 0.30 -0.22 -0.75 0.41 0.00 0.00 173.24 173.24 1fjg s LYS 88 N -0.42 1.76 -0.02 12.44 2.20 0.25 0.87 119.74 136.81 1fjg s LYS 88 Ca 0.13 -0.79 0.04 0.00 -0.36 0.00 0.00 55.97 54.99 1fjg s LYS 88 Cb -0.12 -1.71 -0.01 0.00 -1.51 0.00 0.00 37.83 34.49 1fjg s LYS 88 CO 0.03 0.47 -0.12 -1.50 -0.36 0.00 0.00 175.35 173.86 1fjg s ILE 89 N -0.52 1.00 -0.10 5.43 -1.16 -0.05 -0.60 121.20 125.20 1fjg s ILE 89 Ca 0.08 -0.52 0.02 0.00 -0.51 0.00 0.00 60.65 59.73 1fjg s ILE 89 Cb -0.08 -0.85 0.01 0.00 0.61 0.00 0.00 42.46 42.14 1fjg s ILE 89 CO -0.01 0.29 -0.16 -0.69 -2.81 0.00 0.00 174.94 171.56 1fjg s VAL 90 N -0.11 1.54 -0.08 4.00 1.01 -0.40 -0.84 120.40 125.53 1fjg s VAL 90 Ca 0.01 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1fjg s VAL 90 Cb -0.07 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1fjg s VAL 90 CO 0.00 0.45 -0.19 -0.76 0.00 0.00 0.00 175.10 174.60 1fjg s LEU 91 N 0.79 2.42 -0.04 3.92 1.43 -0.12 -1.45 118.68 125.63 1fjg s LEU 91 Ca -0.11 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1fjg s LEU 91 Cb -0.16 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1fjg s LEU 91 CO 0.02 0.24 -0.07 -0.75 0.23 0.00 0.00 176.35 176.01 1fjg s LYS 92 N -0.09 1.02 0.62 1.70 2.20 0.22 -1.87 119.74 123.53 1fjg s LYS 92 Ca -0.04 -0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.17 1fjg s LYS 92 Cb -0.14 -0.95 -0.02 0.00 -1.51 0.00 0.00 37.83 35.21 1fjg s LYS 92 CO 0.04 0.01 1.13 -1.25 -0.36 0.00 0.00 175.35 174.92 1fjg s PRO 93 N 0.59 2.98 0.03 4.03 0.04 -1.26 -0.41 135.00 141.00 1fjg s PRO 93 Ca -0.09 1.51 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 1fjg s PRO 93 Cb -0.12 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1fjg s PRO 93 CO 0.01 -1.13 0.13 0.00 0.04 0.00 0.00 177.00 176.05 1fjg s ALA 94 N -2.08 -0.19 0.82 8.56 0.00 -1.23 -4.67 121.76 122.98 1fjg s ALA 94 Ca 0.70 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 1fjg s ALA 94 Cb -0.23 0.24 0.09 0.00 0.00 0.00 0.00 23.12 23.21 1fjg s ALA 94 CO 0.36 -0.31 1.09 0.00 0.00 0.00 0.00 175.76 176.90 1fjg s ALA 95 N -2.39 2.04 0.58 0.00 0.00 -1.26 -4.73 121.76 116.00 1fjg s ALA 95 Ca -0.07 -0.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 1fjg s ALA 95 Cb -0.02 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1fjg s ALA 95 CO -0.03 -1.91 1.32 -2.30 0.00 0.00 0.00 175.76 172.83 1fjg n PRO 96 N -3.57 1.48 -0.01 0.00 -0.02 -1.26 -3.12 135.00 128.51 1fjg n PRO 96 Ca 0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1fjg n PRO 96 Cb 0.56 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1fjg n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fjg n GLY 97 N 0.84 0.78 0.13 -1.23 0.00 -1.26 -4.93 105.19 99.52 1fjg n GLY 97 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1fjg n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fjg h THR 98 N 0.00 1.46 0.00 2.61 2.02 -1.87 -3.51 112.91 113.62 1fjg h THR 98 Ca 0.00 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1fjg h THR 98 Cb 0.00 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1fjg h THR 98 CO 0.00 0.61 0.00 0.61 0.37 0.00 0.00 175.52 177.11 1fjg n GLY 99 N 1.14 -0.20 3.39 2.16 0.00 -1.24 -4.75 105.19 105.68 1fjg n GLY 99 Ca -0.11 -1.89 -0.44 0.00 0.00 0.00 0.00 46.02 43.58 1fjg n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fjg s VAL 100 N -1.08 4.74 -0.79 1.61 1.01 -1.22 -1.57 120.40 123.10 1fjg s VAL 100 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1fjg s VAL 100 Cb 0.00 -4.55 0.15 0.00 0.00 0.00 0.00 36.38 31.98 1fjg s VAL 100 CO 0.00 -1.21 0.88 -0.63 0.00 0.00 0.00 175.10 174.14 1fjg s ILE 101 N 2.88 5.03 0.11 2.22 1.01 -0.68 -4.95 121.20 126.83 1fjg s ILE 101 Ca 0.15 -1.66 -0.26 0.00 0.00 0.00 0.00 60.65 58.88 1fjg s ILE 101 Cb -0.21 -4.59 0.07 0.00 0.01 0.00 0.00 42.46 37.74 1fjg s ILE 101 CO 0.06 -1.24 0.87 0.00 0.00 0.00 0.00 174.94 174.63 1fjg s ALA 102 N 1.91 -1.67 0.72 9.38 0.00 -1.26 -1.82 121.76 129.03 1fjg s ALA 102 Ca 0.21 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 1fjg s ALA 102 Cb -0.13 0.61 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1fjg s ALA 102 CO -0.04 -0.89 1.08 0.20 0.00 0.00 0.00 175.76 176.11 1fjg s GLY 103 N -2.76 1.74 0.20 0.00 0.00 -1.26 -4.66 107.32 100.58 1fjg s GLY 103 Ca 0.08 0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.85 1fjg s GLY 103 CO -0.03 0.56 1.43 0.00 0.00 0.00 0.00 173.10 175.07 1fjg n ALA 104 N -3.20 -0.18 0.41 3.20 0.00 -1.26 -0.81 120.51 118.67 1fjg n ALA 104 Ca 0.09 0.90 -0.19 0.00 0.00 0.00 0.00 53.44 54.24 1fjg n ALA 104 Cb 0.53 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 1fjg n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fjg h VAL 105 N 0.00 0.10 -0.52 0.00 2.07 -1.92 -0.32 116.25 115.67 1fjg h VAL 105 Ca 0.30 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.81 1fjg h VAL 105 Cb 0.53 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1fjg h VAL 105 CO -0.91 0.00 0.30 -0.65 0.02 0.00 0.00 177.57 176.33 1fjg h PRO 106 N -1.12 0.70 0.00 1.57 0.11 -1.83 -2.90 132.00 128.54 1fjg h PRO 106 Ca -0.10 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1fjg h PRO 106 Cb 0.89 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1fjg h PRO 106 CO 0.11 0.50 0.00 -2.13 -0.21 0.00 0.00 178.00 176.27 1fjg n ARG 107 N -4.42 0.00 -0.31 1.05 0.63 0.01 0.24 116.66 113.85 1fjg n ARG 107 Ca 0.05 0.40 0.10 0.00 -0.92 0.00 0.00 57.85 57.48 1fjg n ARG 107 Cb 0.08 -1.33 0.21 0.00 0.45 0.00 0.00 32.46 31.88 1fjg n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1fjg n ALA 108 N -1.60 0.37 0.27 5.13 0.00 -0.16 0.11 120.51 124.64 1fjg n ALA 108 Ca 0.00 0.97 -0.16 0.00 0.00 0.00 0.00 53.44 54.25 1fjg n ALA 108 Cb 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 1fjg n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1fjg h ILE 109 N 0.00 0.54 -0.80 0.00 2.04 -1.33 -2.49 117.51 115.46 1fjg h ILE 109 Ca 0.50 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.42 1fjg h ILE 109 Cb 0.95 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1fjg h ILE 109 CO -0.87 0.00 0.52 -0.07 0.00 0.00 0.00 178.15 177.73 1fjg h LEU 110 N -0.64 0.78 0.46 1.44 3.38 0.53 -0.89 115.31 120.37 1fjg h LEU 110 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1fjg h LEU 110 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1fjg h LEU 110 CO 0.11 0.50 -0.22 -0.33 0.09 0.00 0.00 178.44 178.59 1fjg h GLU 111 N 0.88 -0.60 0.00 1.13 5.08 -0.07 -0.59 114.58 120.41 1fjg h GLU 111 Ca 0.34 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1fjg h GLU 111 Cb 0.21 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1fjg h GLU 111 CO -0.12 -0.30 0.00 -0.07 -1.00 0.00 0.00 179.01 177.52 1fjg h LEU 112 N -0.89 0.00 -0.48 1.33 3.38 -1.34 0.57 115.31 117.89 1fjg h LEU 112 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1fjg h LEU 112 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1fjg h LEU 112 CO 0.10 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1fjg n ALA 113 N -1.94 1.85 -0.35 1.53 0.00 -0.35 -1.36 120.51 119.88 1fjg n ALA 113 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1fjg n ALA 113 Cb 0.11 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1fjg n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fjg n GLY 114 N 0.39 0.79 3.77 0.00 0.00 0.20 -1.98 105.19 108.37 1fjg n GLY 114 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1fjg n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fjg s VAL 115 N -2.16 3.69 0.00 1.61 1.01 -0.27 -4.79 120.40 119.49 1fjg s VAL 115 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1fjg s VAL 115 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1fjg s VAL 115 CO 0.00 0.12 0.00 1.07 0.00 0.00 0.00 175.10 176.29 1fjg n THR 116 N 0.32 0.00 -3.42 3.92 5.66 0.19 -4.43 114.28 116.53 1fjg n THR 116 Ca 0.03 -0.06 -0.16 0.00 -3.05 0.00 0.00 64.05 60.81 1fjg n THR 116 Cb 0.48 0.44 -0.10 0.00 -1.55 0.00 0.00 70.33 69.60 1fjg n THR 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1fjg s ASP 117 N -1.07 1.42 0.03 1.09 1.01 -0.92 -3.45 116.67 114.79 1fjg s ASP 117 Ca 0.00 -0.49 -0.07 0.00 0.71 0.00 0.00 52.55 52.70 1fjg s ASP 117 Cb 0.00 0.55 -0.00 0.00 1.01 0.00 0.00 42.92 44.48 1fjg s ASP 117 CO 0.00 -0.36 0.14 -0.63 0.21 0.00 0.00 175.17 174.53 1fjg s ILE 118 N 2.37 0.11 -0.21 0.77 1.01 -0.61 -3.51 121.20 121.13 1fjg s ILE 118 Ca 0.09 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 1fjg s ILE 118 Cb -0.15 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1fjg s ILE 118 CO -0.25 -0.51 0.00 -0.76 0.00 0.00 0.00 174.94 173.42 1fjg s LEU 119 N -1.93 3.21 0.31 2.97 1.43 0.45 -1.68 118.68 123.45 1fjg s LEU 119 Ca -0.07 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1fjg s LEU 119 Cb -0.03 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 1fjg s LEU 119 CO -0.03 0.03 -0.09 -0.89 0.23 0.00 0.00 176.35 175.60 1fjg s THR 120 N 1.21 1.99 -0.30 5.49 2.01 -0.75 0.68 115.64 125.97 1fjg s THR 120 Ca 0.03 -2.19 -0.12 0.00 0.31 0.00 0.00 61.69 59.72 1fjg s THR 120 Cb -0.15 -2.52 0.16 0.00 0.01 0.00 0.00 72.50 70.00 1fjg s THR 120 CO 0.01 -0.27 0.88 -0.75 -0.69 0.00 0.00 174.62 173.81 1fjg s LYS 121 N -3.65 0.37 -0.01 4.92 2.47 -0.53 -4.84 119.74 118.46 1fjg s LYS 121 Ca 0.31 0.87 -0.24 0.00 -1.56 0.00 0.00 55.97 55.35 1fjg s LYS 121 Cb 0.02 0.52 -0.04 0.00 -1.46 0.00 0.00 37.83 36.87 1fjg s LYS 121 CO 0.14 -0.18 0.74 -1.21 0.16 0.00 0.00 175.35 175.00 1fjg s GLU 122 N 2.64 4.46 0.13 4.03 2.02 -1.26 -1.27 118.70 129.45 1fjg s GLU 122 Ca -0.01 0.98 0.05 0.00 0.02 0.00 0.00 54.97 56.01 1fjg s GLU 122 Cb -0.09 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1fjg s GLU 122 CO -0.17 0.17 -0.11 -0.51 0.02 0.00 0.00 175.26 174.65 1fjg s LEU 123 N 0.39 2.47 0.00 1.80 1.43 0.23 -5.01 118.68 119.99 1fjg s LEU 123 Ca 0.38 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1fjg s LEU 123 Cb -0.19 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1fjg s LEU 123 CO 0.21 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1fjg n GLY 124 N 0.13 0.25 3.69 -3.19 0.00 -1.26 -0.58 105.19 104.24 1fjg n GLY 124 Ca -0.13 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1fjg n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fjg n SER 125 N -0.79 3.89 -2.49 1.61 2.88 0.99 -4.84 113.62 114.87 1fjg n SER 125 Ca 0.00 1.00 -0.33 0.00 -1.33 0.00 0.00 58.87 58.21 1fjg n SER 125 Cb 0.00 -1.52 0.04 0.00 -0.75 0.00 0.00 64.21 61.98 1fjg n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1fjg n ARG 126 N 5.32 2.54 -2.30 -1.46 1.74 -1.26 -4.14 116.66 117.09 1fjg n ARG 126 Ca 0.18 -2.98 -0.43 0.00 -0.77 0.00 0.00 57.85 53.85 1fjg n ARG 126 Cb 0.35 -2.16 -0.02 0.00 -1.02 0.00 0.00 32.46 29.61 1fjg n ARG 126 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1fjg s ASN 127 N -0.97 6.67 0.19 0.55 3.84 -1.26 -4.90 114.94 119.06 1fjg s ASN 127 Ca 0.55 1.54 -0.20 0.00 0.21 0.00 0.00 52.86 54.96 1fjg s ASN 127 Cb 0.43 -2.54 0.14 0.00 -0.55 0.00 0.00 41.25 38.73 1fjg s ASN 127 CO -0.18 -1.03 1.59 1.55 -2.79 0.00 0.00 177.10 176.24 1fjg h PRO 128 N 9.41 -0.14 -0.17 0.43 0.13 -1.98 0.30 132.00 139.98 1fjg h PRO 128 Ca -0.29 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.90 1fjg h PRO 128 Cb 1.12 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1fjg h PRO 128 CO 1.00 -0.09 -0.21 0.82 -0.23 0.00 0.00 178.00 179.29 1fjg h ILE 129 N -0.14 0.47 0.00 -3.56 2.04 -2.00 0.57 117.51 114.89 1fjg h ILE 129 Ca 0.24 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.07 1fjg h ILE 129 Cb 0.55 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1fjg h ILE 129 CO -0.69 0.00 -0.15 0.78 0.00 0.00 0.00 178.15 178.08 1fjg h ASN 130 N -0.24 0.00 -0.15 1.72 2.35 -1.69 -2.14 115.58 115.43 1fjg h ASN 130 Ca 0.11 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.69 1fjg h ASN 130 Cb 0.41 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.79 1fjg h ASN 130 CO -0.31 0.15 -0.57 0.40 -1.65 0.00 0.00 177.43 175.46 1fjg h ILE 131 N 0.00 1.32 -0.11 2.81 1.08 0.58 -2.17 117.51 121.03 1fjg h ILE 131 Ca -0.00 -1.82 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 1fjg h ILE 131 Cb 0.61 2.02 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 1fjg h ILE 131 CO 0.02 0.56 0.07 0.00 -0.69 0.00 0.00 178.15 178.12 1fjg h ALA 132 N 0.54 0.14 -0.91 1.87 0.00 -0.63 0.13 119.26 120.40 1fjg h ALA 132 Ca -0.03 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1fjg h ALA 132 Cb 1.20 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1fjg h ALA 132 CO 0.12 -0.37 0.57 1.88 0.00 0.00 0.00 179.25 181.44 1fjg h TYR 133 N 0.14 1.05 -0.43 0.00 0.99 -1.39 -1.40 116.97 115.93 1fjg h TYR 133 Ca 0.04 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.70 1fjg h TYR 133 Cb -0.01 -0.34 -0.01 0.00 1.00 0.00 0.00 36.73 37.36 1fjg h TYR 133 CO -0.07 0.52 -0.12 0.00 -0.00 0.00 0.00 178.16 178.48 1fjg h ALA 134 N 1.43 0.60 -0.13 3.88 0.00 -0.83 -0.33 119.26 123.89 1fjg h ALA 134 Ca 0.40 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1fjg h ALA 134 Cb 0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1fjg h ALA 134 CO -0.19 0.50 -0.09 1.15 0.00 0.00 0.00 179.25 180.63 1fjg h THR 135 N 0.68 0.74 -0.13 0.00 2.02 0.10 0.14 112.91 116.46 1fjg h THR 135 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 1fjg h THR 135 Cb 0.67 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1fjg h THR 135 CO 0.05 0.00 -0.18 0.24 0.37 0.00 0.00 175.52 176.00 1fjg h MET 136 N -0.09 -0.21 -0.84 6.66 2.07 -1.15 0.18 114.93 121.54 1fjg h MET 136 Ca 0.08 0.01 0.15 0.00 -2.07 0.00 0.00 59.70 57.87 1fjg h MET 136 Cb 0.21 0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 29.92 1fjg h MET 136 CO -0.18 -0.14 0.55 0.93 1.07 0.00 0.00 176.91 179.13 1fjg h GLU 137 N -0.22 0.58 0.43 1.72 4.39 -0.46 -0.65 114.58 120.37 1fjg h GLU 137 Ca 0.10 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1fjg h GLU 137 Cb 0.36 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1fjg h GLU 137 CO -0.26 0.38 -0.21 0.00 -1.16 0.00 0.00 179.01 177.76 1fjg h ALA 138 N 1.61 -0.58 -1.27 3.43 0.00 0.90 -2.76 119.26 120.59 1fjg h ALA 138 Ca 0.42 -0.17 0.38 0.00 0.00 0.00 0.00 54.91 55.54 1fjg h ALA 138 Cb 0.77 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1fjg h ALA 138 CO -0.17 -0.58 0.85 -0.07 0.00 0.00 0.00 179.25 179.28 1fjg h LEU 139 N -1.06 0.23 -0.58 0.00 3.38 -0.06 0.56 115.31 117.78 1fjg h LEU 139 Ca -0.06 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1fjg h LEU 139 Cb 0.53 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1fjg h LEU 139 CO 0.10 -0.04 -0.20 0.03 0.09 0.00 0.00 178.44 178.42 1fjg h ARG 140 N 0.15 0.92 0.00 1.13 3.08 -0.93 -2.97 114.38 115.77 1fjg h ARG 140 Ca 0.70 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1fjg h ARG 140 Cb 2.29 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.30 1fjg h ARG 140 CO -0.25 1.04 0.00 1.04 -1.07 0.00 0.00 179.97 180.73 1fjg n GLN 141 N -4.11 1.00 -1.83 0.04 6.02 0.17 -4.84 117.38 113.83 1fjg n GLN 141 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 1fjg n GLN 141 Cb 0.44 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 1fjg n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1fjg s LEU 142 N -1.92 4.36 0.15 1.08 1.43 -1.12 -5.01 118.68 117.65 1fjg s LEU 142 Ca 0.44 2.87 0.05 0.00 -1.03 0.00 0.00 54.13 56.46 1fjg s LEU 142 Cb 0.20 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1fjg s LEU 142 CO 0.34 -0.87 -0.12 -0.13 0.23 0.00 0.00 176.35 175.80 1fjg s ARG 143 N -0.27 1.10 0.21 1.70 1.81 -1.26 -4.88 118.95 117.36 1fjg s ARG 143 Ca 0.64 -1.42 0.09 0.00 -1.72 0.00 0.00 55.73 53.31 1fjg s ARG 143 Cb -0.47 -0.77 -0.04 0.00 -0.45 0.00 0.00 34.95 33.22 1fjg s ARG 143 CO 0.45 0.12 -0.06 0.99 -0.68 0.00 0.00 175.30 176.12 1fjg s THR 144 N -2.98 3.33 0.32 0.02 2.01 -1.26 -4.68 115.64 112.40 1fjg s THR 144 Ca 0.16 -1.71 0.06 0.00 0.31 0.00 0.00 61.69 60.51 1fjg s THR 144 Cb 0.00 -2.70 0.31 0.00 0.01 0.00 0.00 72.50 70.12 1fjg s THR 144 CO 0.02 -0.19 1.82 0.50 -0.69 0.00 0.00 174.62 176.08 1fjg h LYS 145 N 2.56 0.77 0.23 4.92 3.64 -1.99 0.16 116.57 126.87 1fjg h LYS 145 Ca -0.46 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1fjg h LYS 145 Cb 1.22 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1fjg h LYS 145 CO 0.57 0.51 -0.52 0.00 -2.27 0.00 0.00 179.45 177.74 1fjg h ALA 146 N 1.60 -1.02 -0.46 5.00 0.00 -1.98 0.36 119.26 122.75 1fjg h ALA 146 Ca 0.51 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.38 1fjg h ALA 146 Cb 0.75 0.84 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 1fjg h ALA 146 CO -0.28 -1.14 0.03 -0.44 0.00 0.00 0.00 179.25 177.42 1fjg h ASP 147 N -0.82 -0.13 -0.56 0.00 3.32 -1.44 0.35 116.42 117.14 1fjg h ASP 147 Ca -0.02 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1fjg h ASP 147 Cb 0.79 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1fjg h ASP 147 CO -0.22 -0.03 0.36 0.58 -1.72 0.00 0.00 179.24 178.21 1fjg h VAL 148 N 0.15 1.13 0.01 -1.35 2.07 -0.61 0.13 116.25 117.77 1fjg h VAL 148 Ca 0.23 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1fjg h VAL 148 Cb 0.33 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1fjg h VAL 148 CO -0.36 0.14 -0.00 -0.08 0.02 0.00 0.00 177.57 177.28 1fjg h GLU 149 N 0.74 -0.01 -0.90 1.57 4.81 0.67 -0.75 114.58 120.71 1fjg h GLU 149 Ca 0.21 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.60 1fjg h GLU 149 Cb -0.07 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.21 1fjg h GLU 149 CO -0.05 0.06 0.49 -0.09 -0.73 0.00 0.00 179.01 178.69 1fjg h ARG 150 N -0.08 0.65 -0.09 1.92 1.12 0.16 0.04 114.38 118.10 1fjg h ARG 150 Ca -0.00 -0.04 -0.13 0.00 -1.11 0.00 0.00 59.98 58.70 1fjg h ARG 150 Cb 0.07 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1fjg h ARG 150 CO 0.00 0.43 -0.51 -0.07 -3.11 0.00 0.00 179.97 176.71 1fjg h LEU 151 N 0.67 0.27 -3.02 3.80 3.38 -0.07 -3.21 115.31 117.13 1fjg h LEU 151 Ca 0.50 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1fjg h LEU 151 Cb 0.74 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1fjg h LEU 151 CO -0.37 0.74 0.00 0.54 0.09 0.00 0.00 178.44 179.43 1fjg n ARG 152 N -3.95 3.28 0.00 1.13 1.74 -0.35 -4.98 116.66 113.54 1fjg n ARG 152 Ca -0.02 -2.67 0.00 0.00 -0.77 0.00 0.00 57.85 54.39 1fjg n ARG 152 Cb 0.55 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1fjg n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1fjg n LYS 153 N 0.94 1.43 -0.27 5.56 4.76 -0.12 -5.04 118.16 125.42 1fjg n LYS 153 Ca 0.22 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1fjg n LYS 153 Cb 0.74 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.93 1fjg n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44