#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj s MET 7 N 0.00 0.76 0.00 -0.14 -1.94 -1.26 -4.97 119.30 111.75 2hgj s MET 7 Ca 0.00 0.81 0.00 0.00 -1.71 0.00 0.00 55.69 54.79 2hgj s MET 7 Cb 0.00 0.37 0.00 0.00 2.01 0.00 0.00 34.83 37.21 2hgj s MET 7 CO 0.00 -0.11 0.00 0.36 -0.01 0.00 0.00 175.02 175.26 2hgj n LYS 8 N 2.37 0.00 -0.12 2.03 2.85 -1.26 -3.29 118.16 120.74 2hgj n LYS 8 Ca -0.14 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.08 2hgj n LYS 8 Cb 0.55 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.93 2hgj n LYS 8 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 2hgj n TYR 9 N 0.00 -0.01 -0.90 5.58 -0.00 -1.26 -2.61 117.16 117.97 2hgj n TYR 9 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 2hgj n TYR 9 Cb 0.04 -0.17 0.00 0.00 -0.00 0.00 0.00 39.34 39.21 2hgj n TYR 9 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2hgj n ARG 10 N 0.10 -0.61 0.00 -3.48 3.00 -1.26 -5.01 116.66 109.41 2hgj n ARG 10 Ca 0.02 0.15 0.00 0.00 -0.01 0.00 0.00 57.85 58.01 2hgj n ARG 10 Cb 0.02 -3.81 0.00 0.00 0.00 0.00 0.00 32.46 28.67 2hgj n ARG 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2hgj n LYS 11 N -1.39 0.00 0.00 5.56 4.81 -1.07 -4.94 118.16 121.13 2hgj n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hgj n LYS 11 Cb 0.15 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.20 2hgj n LYS 11 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2hgj n GLN 12 N 0.00 0.00 -4.18 1.64 -0.06 -1.26 -5.18 117.38 108.34 2hgj n GLN 12 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.85 2hgj n GLN 12 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 2hgj n GLN 12 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2hgj s GLN 13 N -0.33 1.65 0.00 3.69 -1.52 -1.26 -5.11 119.66 116.79 2hgj s GLN 13 Ca 0.00 -1.78 0.00 0.00 -1.95 0.00 0.00 55.36 51.63 2hgj s GLN 13 Cb 0.00 0.36 0.00 0.00 -0.22 0.00 0.00 33.01 33.15 2hgj s GLN 13 CO 0.00 -0.63 0.15 0.54 -0.25 0.00 0.00 175.29 175.10 2hgj n ARG 14 N -0.50 0.00 -4.03 2.91 5.12 -1.26 -4.99 116.66 113.91 2hgj n ARG 14 Ca 0.03 0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.85 2hgj n ARG 14 Cb 0.63 -0.65 -0.04 0.00 -1.16 0.00 0.00 32.46 31.24 2hgj n ARG 14 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2hgj s GLY 15 N 0.00 1.07 0.00 -0.13 0.00 -1.26 -4.73 107.32 102.27 2hgj s GLY 15 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2hgj s GLY 15 CO 0.00 -0.81 0.00 0.54 0.00 0.00 0.00 173.10 172.83 2hgj n ARG 16 N -0.50 1.53 0.00 2.90 5.12 -1.26 -5.06 116.66 119.38 2hgj n ARG 16 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 2hgj n ARG 16 Cb 0.62 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.92 2hgj n ARG 16 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2hgj n LEU 17 N 0.00 0.00 -4.33 0.55 4.32 -1.26 -5.12 117.00 111.16 2hgj n LEU 17 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.69 2hgj n LEU 17 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 2hgj n LEU 17 CO 0.00 0.00 -0.57 -1.59 -1.22 0.00 0.00 177.39 174.01 2hgj s LYS 18 N 3.06 1.79 0.00 3.23 0.00 -1.26 -5.10 119.74 121.46 2hgj s LYS 18 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 55.97 54.90 2hgj s LYS 18 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 37.83 35.89 2hgj s LYS 18 CO 0.00 0.50 0.00 0.41 0.00 0.00 0.00 175.35 176.26 2hgj n GLY 19 N 1.86 -0.41 0.00 0.59 0.00 -1.26 -5.21 105.19 100.76 2hgj n GLY 19 Ca -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2hgj n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgj n ALA 20 N -0.06 0.00 -0.94 4.61 0.00 -1.26 -5.11 120.51 117.75 2hgj n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgj n ALA 20 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2hgj n THR 21 N 0.46 0.00 -1.75 0.00 5.66 -1.26 -5.12 114.28 112.26 2hgj n THR 21 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2hgj n THR 21 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2hgj n THR 21 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2hgj n LYS 22 N 0.00 0.00 0.00 1.09 3.00 -1.26 -4.72 118.16 116.27 2hgj n LYS 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgj n LYS 22 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.06 2hgj n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgj n GLY 23 N 0.00 -0.74 0.00 3.14 0.00 -1.26 -4.41 105.19 101.92 2hgj n GLY 23 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2hgj n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgj n GLY 24 N 0.00 -1.44 3.33 -0.02 0.00 -1.26 -5.14 105.19 100.65 2hgj n GLY 24 Ca 0.00 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 2hgj n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hgj s ASP 25 N 0.00 3.09 0.05 1.61 1.11 -1.26 -5.02 116.67 116.26 2hgj s ASP 25 Ca 0.00 -0.53 0.00 0.00 0.18 0.00 0.00 52.55 52.20 2hgj s ASP 25 Cb 0.00 -0.31 0.00 0.00 1.07 0.00 0.00 42.92 43.68 2hgj s ASP 25 CO 0.00 0.29 0.00 0.00 1.18 0.00 0.00 175.17 176.64 2hgj n TYR 26 N 2.10 -1.64 0.00 4.23 0.18 -1.26 -3.88 117.16 116.89 2hgj n TYR 26 Ca -0.16 0.18 0.00 0.00 1.88 0.00 0.00 57.90 59.79 2hgj n TYR 26 Cb 0.51 0.67 0.00 0.00 -0.38 0.00 0.00 39.34 40.14 2hgj n TYR 26 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 2hgj n VAL 27 N -2.53 0.00 -3.38 -3.48 3.14 -1.26 -4.79 118.33 106.02 2hgj n VAL 27 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2hgj n VAL 27 Cb 0.00 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.52 2hgj n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hgj n ALA 28 N -2.92 0.00 0.00 1.55 0.00 -1.26 -4.23 120.51 113.64 2hgj n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgj n ALA 28 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hgj n PHE 29 N 3.97 0.00 0.00 0.00 -0.00 -1.26 -4.98 117.46 115.19 2hgj n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2hgj n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2hgj n PHE 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hgj n GLY 30 N 0.00 0.05 1.86 7.13 0.00 -1.26 -4.82 105.19 108.14 2hgj n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgj n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hgj n ASP 31 N 0.00 -1.49 -3.57 1.61 10.43 -1.26 -4.94 116.55 117.33 2hgj n ASP 31 Ca 0.00 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.09 2hgj n ASP 31 Cb 0.00 -0.46 -0.09 0.00 1.84 0.00 0.00 41.12 42.40 2hgj n ASP 31 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2hgj n TYR 32 N -3.53 3.05 -4.26 1.24 4.02 -1.26 -4.55 117.16 111.87 2hgj n TYR 32 Ca 0.00 -4.13 -0.29 0.00 -0.01 0.00 0.00 57.90 53.46 2hgj n TYR 32 Cb 0.32 -0.53 -0.10 0.00 -0.02 0.00 0.00 39.34 39.01 2hgj n TYR 32 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2hgj s GLY 33 N -1.94 1.75 -0.30 2.72 0.00 -0.41 -1.18 107.32 107.95 2hgj s GLY 33 Ca 0.34 -1.30 -0.05 0.00 0.00 0.00 0.00 44.72 43.71 2hgj s GLY 33 CO -0.08 -1.28 0.05 1.08 0.00 0.00 0.00 173.10 172.87 2hgj s LEU 34 N -2.21 3.87 -0.55 0.66 1.43 0.02 -0.90 118.68 121.01 2hgj s LEU 34 Ca 0.20 -0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 52.18 2hgj s LEU 34 Cb -0.11 -1.82 0.10 0.00 0.03 0.00 0.00 46.19 44.40 2hgj s LEU 34 CO 0.12 -0.23 0.59 0.54 0.23 0.00 0.00 176.35 177.61 2hgj s VAL 35 N 1.41 4.99 0.96 -1.59 0.11 0.09 -0.82 120.40 125.54 2hgj s VAL 35 Ca -0.00 -1.08 -0.10 0.00 -2.93 0.00 0.00 61.98 57.87 2hgj s VAL 35 Cb -0.18 -4.37 0.17 0.00 -1.53 0.00 0.00 36.38 30.47 2hgj s VAL 35 CO 0.01 -0.94 1.13 0.00 -3.33 0.00 0.00 175.10 171.97 2hgj s ALA 36 N 2.23 1.11 0.00 1.54 0.00 -0.01 -1.18 121.76 125.45 2hgj s ALA 36 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2hgj s ALA 36 Cb -0.25 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2hgj s ALA 36 CO 0.06 -2.98 0.00 1.28 0.00 0.00 0.00 175.76 174.12 2hgj n LEU 37 N -4.38 0.00 -4.07 0.00 4.77 -1.18 -0.92 117.00 111.23 2hgj n LEU 37 Ca 0.10 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 2hgj n LEU 37 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 2hgj n LEU 37 CO 0.50 -0.47 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.19 2hgj s GLU 38 N -0.95 1.77 0.00 3.23 8.01 -0.32 0.11 118.70 130.55 2hgj s GLU 38 Ca 0.00 -1.78 0.00 0.00 0.01 0.00 0.00 54.97 53.20 2hgj s GLU 38 Cb 0.00 -3.31 0.00 0.00 -4.31 0.00 0.00 34.13 26.51 2hgj s GLU 38 CO 0.00 -0.94 0.00 -0.35 0.01 0.00 0.00 175.26 173.98 2hgj n PRO 39 N 4.40 0.00 0.00 0.39 -0.05 -1.19 -4.16 135.00 134.39 2hgj n PRO 39 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 2hgj n PRO 39 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.87 2hgj n PRO 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2hgj n ALA 40 N -3.00 0.00 -1.00 0.55 0.00 -0.35 -4.79 120.51 111.92 2hgj n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgj n ALA 40 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2hgj n TRP 41 N 1.11 -1.41 -3.64 0.00 8.01 -1.26 -1.07 117.44 119.18 2hgj n TRP 41 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2hgj n TRP 41 Cb 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.24 2hgj n TRP 41 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.69 175.18 2hgj s ILE 42 N -0.36 -0.01 -0.12 -0.99 -1.16 0.01 -4.70 121.20 113.88 2hgj s ILE 42 Ca 0.00 0.00 -0.39 0.00 -0.51 0.00 0.00 60.65 59.75 2hgj s ILE 42 Cb 0.00 -1.00 -0.17 0.00 0.61 0.00 0.00 42.46 41.90 2hgj s ILE 42 CO 0.00 0.00 1.52 0.35 -2.81 0.00 0.00 174.94 174.00 2hgj n THR 43 N 3.38 0.14 -0.16 4.00 -2.24 -1.26 -1.13 114.28 117.00 2hgj n THR 43 Ca -0.18 -0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.67 2hgj n THR 43 Cb 0.57 -0.92 0.41 0.00 -2.10 0.00 0.00 70.33 68.28 2hgj n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hgj h ALA 44 N 5.65 1.83 -1.96 6.98 0.00 -1.44 0.05 119.26 130.35 2hgj h ALA 44 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2hgj h ALA 44 Cb 1.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2hgj h ALA 44 CO 0.86 0.04 0.00 1.04 0.00 0.00 0.00 179.25 181.19 2hgj n GLN 45 N -4.49 0.00 -0.11 0.00 3.00 -1.26 -0.97 117.38 113.55 2hgj n GLN 45 Ca 0.11 0.17 0.04 0.00 -0.01 0.00 0.00 57.00 57.32 2hgj n GLN 45 Cb 0.30 -1.12 0.08 0.00 0.00 0.00 0.00 30.24 29.50 2hgj n GLN 45 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2hgj n GLN 46 N -1.02 -0.03 -0.02 -1.09 7.27 -1.07 0.71 117.38 122.13 2hgj n GLN 46 Ca 0.00 0.46 -0.04 0.00 0.07 0.00 0.00 57.00 57.49 2hgj n GLN 46 Cb 0.00 -0.73 -0.03 0.00 2.41 0.00 0.00 30.24 31.89 2hgj n GLN 46 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2hgj h ILE 47 N 0.00 0.00 -1.50 1.69 2.04 -0.67 1.76 117.51 120.84 2hgj h ILE 47 Ca 0.18 0.00 0.49 0.00 1.00 0.00 0.00 64.86 66.54 2hgj h ILE 47 Cb 0.36 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.32 2hgj h ILE 47 CO -0.29 0.00 0.99 -0.62 0.00 0.00 0.00 178.15 178.23 2hgj n GLU 48 N -3.40 -0.03 0.00 2.37 -0.58 3.43 0.92 120.64 123.35 2hgj n GLU 48 Ca -0.01 1.21 0.00 0.00 -0.42 0.00 0.00 57.16 57.93 2hgj n GLU 48 Cb 0.10 -2.46 0.00 0.00 -0.57 0.00 0.00 31.44 28.51 2hgj n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hgj n ALA 49 N -2.61 -0.29 -0.32 0.62 0.00 0.59 -0.65 120.51 117.85 2hgj n ALA 49 Ca 0.41 0.00 0.19 0.00 0.00 0.00 0.00 53.44 54.03 2hgj n ALA 49 Cb 1.65 0.19 0.39 0.00 0.00 0.00 0.00 19.45 21.68 2hgj n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgj h ALA 50 N -1.63 1.66 -0.20 0.00 0.00 0.19 0.15 119.26 119.42 2hgj h ALA 50 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2hgj h ALA 50 Cb 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2hgj h ALA 50 CO 0.00 -0.49 -0.50 0.07 0.00 0.00 0.00 179.25 178.33 2hgj h ARG 51 N 0.31 -0.47 0.13 0.00 -0.00 0.55 -0.22 114.38 114.69 2hgj h ARG 51 Ca 0.65 0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.66 2hgj h ARG 51 Cb 1.38 0.11 -0.02 0.00 -0.00 0.00 0.00 29.97 31.44 2hgj h ARG 51 CO -0.61 -0.31 -0.26 0.28 -0.00 0.00 0.00 179.97 179.07 2hgj h VAL 52 N -0.49 0.00 -0.57 0.08 2.07 0.16 -0.96 116.25 116.53 2hgj h VAL 52 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 2hgj h VAL 52 Cb 0.60 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 2hgj h VAL 52 CO -0.45 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 176.84 2hgj n ALA 53 N -2.63 -0.28 0.00 1.67 0.00 0.02 0.12 120.51 119.40 2hgj n ALA 53 Ca -0.05 0.51 -0.00 0.00 0.00 0.00 0.00 53.44 53.90 2hgj n ALA 53 Cb 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 19.45 19.54 2hgj n ALA 53 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2hgj h MET 54 N 0.00 -0.01 -0.71 0.00 2.86 -0.67 -0.60 114.93 115.81 2hgj h MET 54 Ca 0.12 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.89 2hgj h MET 54 Cb 0.26 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.80 2hgj h MET 54 CO -0.55 -0.01 -0.20 0.28 1.06 0.00 0.00 176.91 177.49 2hgj n VAL 55 N -2.42 -0.32 0.03 -2.22 0.31 0.32 0.95 118.33 114.97 2hgj n VAL 55 Ca -0.00 1.63 -0.13 0.00 -0.01 0.00 0.00 64.34 65.83 2hgj n VAL 55 Cb 0.01 -2.22 -0.09 0.00 -0.91 0.00 0.00 33.84 30.62 2hgj n VAL 55 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2hgj h ARG 56 N 0.00 -0.10 -0.61 5.55 -0.00 -0.78 -3.22 114.38 115.23 2hgj h ARG 56 Ca 0.31 0.01 0.10 0.00 -0.00 0.00 0.00 59.98 60.40 2hgj h ARG 56 Cb 0.49 0.02 -0.11 0.00 -0.00 0.00 0.00 29.97 30.37 2hgj h ARG 56 CO -0.72 0.34 -0.35 1.25 -0.00 0.00 0.00 179.97 180.49 2hgj h HIS 57 N -0.58 -0.99 -3.45 4.08 2.76 0.22 -3.34 115.15 113.85 2hgj h HIS 57 Ca -0.01 0.08 -0.53 0.00 -2.20 0.00 0.00 60.37 57.70 2hgj h HIS 57 Cb 0.49 0.52 0.21 0.00 1.55 0.00 0.00 27.41 30.19 2hgj h HIS 57 CO 0.08 -0.39 -0.54 1.19 -1.30 0.00 0.00 177.93 176.97 2hgj n PHE 58 N -5.43 -1.35 0.00 5.26 3.72 -0.42 -4.57 117.46 114.67 2hgj n PHE 58 Ca 0.04 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 2hgj n PHE 58 Cb 0.36 -1.79 0.00 0.00 -0.94 0.00 0.00 39.48 37.10 2hgj n PHE 58 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2hgj n ARG 59 N -1.82 0.00 -1.02 -1.08 -4.01 -1.26 -4.61 116.66 102.86 2hgj n ARG 59 Ca 0.07 0.00 -0.01 0.00 -1.04 0.00 0.00 57.85 56.87 2hgj n ARG 59 Cb 0.53 -1.07 -0.00 0.00 -3.04 0.00 0.00 32.46 28.88 2hgj n ARG 59 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2hgj n ARG 60 N 0.58 -0.05 0.08 2.89 3.00 -1.24 -4.91 116.66 117.01 2hgj n ARG 60 Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 57.85 58.29 2hgj n ARG 60 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 32.46 28.55 2hgj n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgj n GLY 61 N -2.91 -0.47 3.37 -0.13 0.00 -1.26 -5.00 105.19 98.78 2hgj n GLY 61 Ca -0.01 0.06 -0.52 0.00 0.00 0.00 0.00 46.02 45.56 2hgj n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgj n GLY 62 N 0.60 -0.13 3.68 -0.02 0.00 -1.26 -4.80 105.19 103.26 2hgj n GLY 62 Ca 0.00 1.08 -0.42 0.00 0.00 0.00 0.00 46.02 46.68 2hgj n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgj s LYS 63 N 7.00 4.24 0.47 1.61 -0.14 -1.24 -4.66 119.74 127.02 2hgj s LYS 63 Ca 1.22 2.05 -0.08 0.00 -1.36 0.00 0.00 55.97 57.80 2hgj s LYS 63 Cb -1.27 -3.68 0.11 0.00 -1.68 0.00 0.00 37.83 31.31 2hgj s LYS 63 CO 0.57 -0.67 0.54 0.44 -0.76 0.00 0.00 175.35 175.47 2hgj n ILE 64 N 4.90 0.00 0.00 2.17 -5.35 -1.25 -2.70 119.36 117.12 2hgj n ILE 64 Ca 0.14 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2hgj n ILE 64 Cb 0.43 -1.52 0.00 0.00 -1.74 0.00 0.00 39.64 36.81 2hgj n ILE 64 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2hgj n PHE 65 N -3.08 0.00 0.00 4.28 0.99 -1.26 -4.73 117.46 113.66 2hgj n PHE 65 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 2hgj n PHE 65 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.73 2hgj n PHE 65 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 2hgj n ILE 66 N 0.00 0.00 0.00 4.37 -0.00 -0.25 -4.97 119.36 118.51 2hgj n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2hgj n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 2hgj n ILE 66 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2hgj n ARG 67 N 0.00 0.00 -1.63 0.38 1.85 -1.26 -1.16 116.66 114.84 2hgj n ARG 67 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 57.85 56.33 2hgj n ARG 67 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 2hgj n ARG 67 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 2hgj n ILE 68 N 1.33 0.07 -2.64 8.89 0.13 -1.26 -4.97 119.36 120.90 2hgj n ILE 68 Ca 0.00 -0.01 -0.32 0.00 -1.10 0.00 0.00 62.75 61.32 2hgj n ILE 68 Cb 0.00 -1.04 -0.04 0.00 -0.84 0.00 0.00 39.64 37.72 2hgj n ILE 68 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 2hgj s PHE 69 N 1.19 3.42 -0.22 9.51 2.19 -1.26 -4.87 117.98 127.95 2hgj s PHE 69 Ca 0.86 1.38 0.00 0.00 0.33 0.00 0.00 56.93 59.50 2hgj s PHE 69 Cb -0.92 -2.70 0.00 0.00 -1.31 0.00 0.00 43.02 38.09 2hgj s PHE 69 CO 0.49 -0.22 0.47 -2.30 1.83 0.00 0.00 175.22 175.48 2hgj n PRO 70 N -1.23 0.53 -0.50 10.12 -0.02 -1.21 -3.49 135.00 139.20 2hgj n PRO 70 Ca 0.05 0.00 0.40 0.00 -2.02 0.00 0.00 63.50 61.94 2hgj n PRO 70 Cb 0.54 -1.24 0.66 0.00 -0.02 0.00 0.00 33.50 33.43 2hgj n PRO 70 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2hgj n ASP 71 N 0.63 0.13 -4.92 2.55 3.85 -0.82 -3.18 116.55 114.79 2hgj n ASP 71 Ca 0.00 1.15 -0.21 0.00 -0.71 0.00 0.00 54.79 55.02 2hgj n ASP 71 Cb 0.23 -0.57 -0.03 0.00 -1.35 0.00 0.00 41.12 39.41 2hgj n ASP 71 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 2hgj s LYS 72 N -4.97 3.24 -0.14 0.11 1.02 0.13 -4.91 119.74 114.23 2hgj s LYS 72 Ca -0.06 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.06 2hgj s LYS 72 Cb 0.27 -2.77 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 2hgj s LYS 72 CO 0.77 0.40 -0.16 -1.25 -0.92 0.00 0.00 175.35 174.18 2hgj s PRO 73 N -3.94 2.45 0.20 -1.68 0.04 -1.26 -1.14 135.00 129.66 2hgj s PRO 73 Ca 0.34 -0.63 0.11 0.00 0.04 0.00 0.00 61.00 60.86 2hgj s PRO 73 Cb -0.09 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2hgj s PRO 73 CO 0.28 -0.15 -0.21 0.71 0.04 0.00 0.00 177.00 177.67 2hgj s TYR 74 N 1.22 2.37 -0.02 0.56 1.51 -0.12 -4.23 117.35 118.63 2hgj s TYR 74 Ca -0.00 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 2hgj s TYR 74 Cb -0.14 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 2hgj s TYR 74 CO -0.07 0.52 -0.08 0.99 -1.11 0.00 0.00 175.55 175.80 2hgj s THR 75 N -1.77 0.71 -2.42 -0.71 2.01 -1.26 0.19 115.64 112.40 2hgj s THR 75 Ca 0.23 -0.33 0.22 0.00 0.31 0.00 0.00 61.69 62.12 2hgj s THR 75 Cb -0.08 -0.64 0.43 0.00 0.01 0.00 0.00 72.50 72.22 2hgj s THR 75 CO 0.11 0.23 1.48 2.29 -0.69 0.00 0.00 174.62 178.04 2hgj n LYS 76 N 3.28 2.06 0.00 4.92 2.85 -1.26 -4.98 118.16 125.03 2hgj n LYS 76 Ca -0.18 -1.58 0.00 0.00 -1.05 0.00 0.00 58.31 55.50 2hgj n LYS 76 Cb 0.55 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.48 2hgj n LYS 76 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2hgj n LYS 77 N 0.82 0.00 0.00 -1.58 4.01 -1.26 -4.60 118.16 115.55 2hgj n LYS 77 Ca 0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 2hgj n LYS 77 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 2hgj n LYS 77 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2hgj n PRO 78 N 0.00 0.00 0.00 1.97 -0.02 -1.26 -4.79 135.00 130.90 2hgj n PRO 78 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgj n PRO 78 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2hgj n PRO 78 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hgj n LEU 79 N 0.00 0.00 0.00 2.45 4.77 -1.26 -4.98 117.00 117.98 2hgj n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2hgj n LEU 79 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hgj n LEU 79 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.22 2hgj n GLU 80 N 0.00 0.00 0.00 3.23 -0.00 -1.26 -5.14 120.64 117.47 2hgj n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2hgj n GLU 80 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 2hgj n GLU 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2hgj n VAL 81 N 0.00 0.00 -2.46 3.84 0.31 -1.26 -5.04 118.33 113.72 2hgj n VAL 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2hgj n VAL 81 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2hgj n VAL 81 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2hgj n ARG 82 N 0.00 2.92 -3.73 5.55 0.63 -1.26 -5.13 116.66 115.65 2hgj n ARG 82 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 2hgj n ARG 82 Cb 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.75 2hgj n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hgj s MET 83 N 1.63 0.70 0.00 -0.14 0.23 -1.26 -4.90 119.30 115.56 2hgj s MET 83 Ca 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 55.69 53.88 2hgj s MET 83 Cb 0.00 -2.00 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 2hgj s MET 83 CO 0.00 -0.84 0.00 0.41 -2.03 0.00 0.00 175.02 172.56 2hgj n GLY 84 N 4.95 0.25 3.26 3.16 0.00 -1.26 -5.15 105.19 110.40 2hgj n GLY 84 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2hgj n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgj n LYS 85 N 0.00 -2.11 -0.26 1.61 3.00 -1.26 -4.72 118.16 114.41 2hgj n LYS 85 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 58.31 57.71 2hgj n LYS 85 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 33.28 2hgj n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgj n GLY 86 N 1.94 1.84 2.82 3.14 0.00 -1.26 -4.59 105.19 109.08 2hgj n GLY 86 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2hgj n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgj n LYS 87 N 1.35 -1.69 -0.94 1.61 4.81 -1.26 -4.89 118.16 117.15 2hgj n LYS 87 Ca 0.00 0.63 -0.37 0.00 -0.87 0.00 0.00 58.31 57.70 2hgj n LYS 87 Cb 0.37 -4.97 0.06 0.00 0.02 0.00 0.00 35.03 30.51 2hgj n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2hgj n GLY 88 N 0.32 -3.34 0.34 3.14 0.00 -1.26 -4.72 105.19 99.67 2hgj n GLY 88 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2hgj n GLY 88 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hgj n ASN 89 N 2.38 -2.29 -4.12 1.61 5.03 -1.26 -4.33 115.26 112.28 2hgj n ASN 89 Ca -0.01 0.33 -0.31 0.00 0.87 0.00 0.00 54.58 55.45 2hgj n ASN 89 Cb 0.67 -0.28 -0.16 0.00 -1.02 0.00 0.00 39.78 38.98 2hgj n ASN 89 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2hgj s VAL 90 N -3.17 1.88 0.00 2.41 -7.23 -1.26 -4.41 120.40 108.62 2hgj s VAL 90 Ca 0.00 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 2hgj s VAL 90 Cb 0.00 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.25 2hgj s VAL 90 CO 0.00 0.51 0.00 -1.84 -0.31 0.00 0.00 175.10 173.46 2hgj n GLU 91 N 4.21 2.60 -4.67 4.82 0.00 0.13 -4.98 120.64 122.76 2hgj n GLU 91 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.69 2hgj n GLU 91 Cb 0.51 -0.83 -0.14 0.00 0.00 0.00 0.00 31.44 30.98 2hgj n GLU 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2hgj s GLY 92 N -2.26 1.29 -0.08 -1.84 0.00 -0.39 -4.96 107.32 99.09 2hgj s GLY 92 Ca 0.00 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.51 2hgj s GLY 92 CO 0.00 -1.13 -0.04 -0.19 0.00 0.00 0.00 173.10 171.74 2hgj s TYR 93 N -0.87 1.00 0.32 1.90 1.51 -1.26 -0.94 117.35 119.00 2hgj s TYR 93 Ca 0.10 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 2hgj s TYR 93 Cb -0.09 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 2hgj s TYR 93 CO 0.03 -0.35 0.29 0.14 -1.11 0.00 0.00 175.55 174.54 2hgj s VAL 94 N 1.56 0.00 0.44 0.71 -7.23 -0.29 -1.09 120.40 114.50 2hgj s VAL 94 Ca 0.00 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2hgj s VAL 94 Cb -0.13 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2hgj s VAL 94 CO -0.04 0.00 0.64 0.00 -0.31 0.00 0.00 175.10 175.38 2hgj s ALA 95 N -3.46 3.93 -0.27 1.32 0.00 -0.29 -0.69 121.76 122.30 2hgj s ALA 95 Ca 0.39 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 2hgj s ALA 95 Cb 0.02 -2.00 0.09 0.00 0.00 0.00 0.00 23.12 21.24 2hgj s ALA 95 CO 0.25 -0.36 0.12 0.08 0.00 0.00 0.00 175.76 175.86 2hgj s VAL 96 N -2.49 -0.01 -0.05 0.00 1.01 -1.26 -0.81 120.40 116.79 2hgj s VAL 96 Ca 0.49 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2hgj s VAL 96 Cb -0.10 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.35 2hgj s VAL 96 CO 0.36 -0.65 -0.01 0.68 0.00 0.00 0.00 175.10 175.48 2hgj s VAL 97 N 2.08 0.33 0.00 2.92 -7.23 -0.23 -4.94 120.40 113.32 2hgj s VAL 97 Ca 0.08 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2hgj s VAL 97 Cb -0.16 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.35 2hgj s VAL 97 CO -0.32 0.20 0.00 0.29 -0.31 0.00 0.00 175.10 174.97 2hgj n LYS 98 N 4.44 1.85 -3.93 4.82 4.01 -1.26 -1.21 118.16 126.89 2hgj n LYS 98 Ca -0.20 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.28 2hgj n LYS 98 Cb 0.50 -0.87 -0.14 0.00 -0.51 0.00 0.00 35.03 34.01 2hgj n LYS 98 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2hgj s PRO 99 N -1.55 1.84 0.00 1.97 0.04 -1.26 -3.19 135.00 132.85 2hgj s PRO 99 Ca 0.00 -2.20 0.00 0.00 0.04 0.00 0.00 61.00 58.84 2hgj s PRO 99 Cb 0.00 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2hgj s PRO 99 CO 0.00 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.41 2hgj n GLY 100 N 3.83 0.00 3.28 0.56 0.00 0.30 -4.77 105.19 108.39 2hgj n GLY 100 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2hgj n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgj s ARG 101 N 0.00 1.31 -1.08 1.61 1.81 -0.10 -4.80 118.95 117.69 2hgj s ARG 101 Ca 0.00 -1.69 -0.22 0.00 -1.72 0.00 0.00 55.73 52.10 2hgj s ARG 101 Cb 0.00 -0.18 -0.01 0.00 -0.45 0.00 0.00 34.95 34.31 2hgj s ARG 101 CO 0.00 -0.27 1.79 0.54 -0.68 0.00 0.00 175.30 176.67 2hgj s VAL 102 N -3.80 3.72 -0.37 3.52 0.11 -1.25 -0.83 120.40 121.50 2hgj s VAL 102 Ca 0.35 -0.92 -0.18 0.00 -2.93 0.00 0.00 61.98 58.30 2hgj s VAL 102 Cb 0.07 -4.64 0.00 0.00 -1.53 0.00 0.00 36.38 30.28 2hgj s VAL 102 CO 0.11 -1.41 0.50 -0.04 -3.33 0.00 0.00 175.10 170.93 2hgj s MET 103 N 5.83 3.48 -0.57 1.54 -1.94 -0.00 -4.52 119.30 123.12 2hgj s MET 103 Ca 0.61 -0.33 -0.17 0.00 -1.71 0.00 0.00 55.69 54.09 2hgj s MET 103 Cb -0.01 -3.85 0.12 0.00 2.01 0.00 0.00 34.83 33.09 2hgj s MET 103 CO 0.03 -0.71 0.59 -0.06 -0.01 0.00 0.00 175.02 174.86 2hgj s PHE 104 N 2.35 3.16 -0.57 -0.03 0.40 -0.31 -0.80 117.98 122.19 2hgj s PHE 104 Ca 0.17 -1.18 0.04 0.00 -0.60 0.00 0.00 56.93 55.36 2hgj s PHE 104 Cb -0.16 -3.89 0.15 0.00 0.51 0.00 0.00 43.02 39.63 2hgj s PHE 104 CO 0.14 -1.13 0.35 -1.21 0.70 0.00 0.00 175.22 174.07 2hgj s GLU 105 N 2.01 1.93 0.00 0.44 8.01 -0.33 -1.09 118.70 129.67 2hgj s GLU 105 Ca 0.07 -2.74 0.00 0.00 0.01 0.00 0.00 54.97 52.31 2hgj s GLU 105 Cb -0.27 -2.99 0.00 0.00 -4.31 0.00 0.00 34.13 26.56 2hgj s GLU 105 CO 0.04 -1.21 0.00 1.55 0.01 0.00 0.00 175.26 175.64 2hgj n VAL 106 N 2.73 0.00 0.00 2.63 3.14 -1.25 -4.27 118.33 121.31 2hgj n VAL 106 Ca 0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 2hgj n VAL 106 Cb 0.35 -0.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 2hgj n VAL 106 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hgj n ALA 107 N -3.00 0.00 -2.21 1.55 0.00 -1.10 -3.88 120.51 111.87 2hgj n ALA 107 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2hgj n ALA 107 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2hgj n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 108 N 0.00 0.38 0.01 0.00 0.00 -1.26 -3.62 105.19 100.70 2hgj n GLY 108 Ca 0.00 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2hgj n GLY 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2hgj n VAL 109 N -1.48 0.00 -3.97 1.61 3.14 -1.26 -4.94 118.33 111.42 2hgj n VAL 109 Ca -0.03 -0.01 -0.29 0.00 -2.96 0.00 0.00 64.34 61.05 2hgj n VAL 109 Cb 0.52 0.68 -0.05 0.00 -1.06 0.00 0.00 33.84 33.93 2hgj n VAL 109 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2hgj n THR 110 N -1.47 -1.21 -3.60 1.55 -1.04 -1.26 -4.77 114.28 102.49 2hgj n THR 110 Ca 0.05 -0.42 -0.06 0.00 -2.04 0.00 0.00 64.05 61.58 2hgj n THR 110 Cb 0.33 -1.11 -0.04 0.00 -1.82 0.00 0.00 70.33 67.70 2hgj n THR 110 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2hgj s GLU 111 N -6.66 0.33 0.00 -2.82 0.41 -1.26 -4.87 118.70 103.83 2hgj s GLU 111 Ca 0.13 0.01 0.01 0.00 -0.41 0.00 0.00 54.97 54.71 2hgj s GLU 111 Cb -0.07 0.15 0.09 0.00 -1.78 0.00 0.00 34.13 32.52 2hgj s GLU 111 CO 0.79 -0.12 0.41 -0.85 -0.49 0.00 0.00 175.26 175.00 2hgj n GLU 112 N 0.39 0.08 0.25 1.61 -0.00 -1.26 0.80 120.64 122.50 2hgj n GLU 112 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.16 57.02 2hgj n GLU 112 Cb 0.58 -1.30 -0.05 0.00 -0.00 0.00 0.00 31.44 30.67 2hgj n GLU 112 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2hgj h GLN 113 N 0.00 -0.66 -0.81 3.44 4.20 -1.89 0.82 115.11 120.21 2hgj h GLN 113 Ca 0.00 0.05 0.18 0.00 0.06 0.00 0.00 58.65 58.93 2hgj h GLN 113 Cb 0.00 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 27.82 2hgj h GLN 113 CO 0.00 -0.44 0.30 0.00 -0.67 0.00 0.00 178.83 178.02 2hgj h ALA 114 N -1.22 1.18 -1.20 3.87 0.00 0.10 0.37 119.26 122.36 2hgj h ALA 114 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2hgj h ALA 114 Cb 0.53 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2hgj h ALA 114 CO 0.12 -0.30 0.00 -0.12 0.00 0.00 0.00 179.25 178.95 2hgj n MET 115 N -5.06 0.00 -0.23 0.00 0.00 -0.55 -1.22 117.12 110.05 2hgj n MET 115 Ca 0.17 0.72 -0.06 0.00 -0.00 0.00 0.00 57.70 58.53 2hgj n MET 115 Cb 0.52 -1.30 -0.05 0.00 0.00 0.00 0.00 33.22 32.39 2hgj n MET 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2hgj n GLU 116 N -2.06 -0.24 -0.18 2.12 -0.58 0.12 -0.13 120.64 119.68 2hgj n GLU 116 Ca 0.00 1.01 -0.07 0.00 -0.42 0.00 0.00 57.16 57.69 2hgj n GLU 116 Cb 0.00 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.36 2hgj n GLU 116 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hgj h ALA 117 N 0.08 -0.18 0.02 0.62 0.00 -0.79 -0.48 119.26 118.52 2hgj h ALA 117 Ca 0.09 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2hgj h ALA 117 Cb 0.22 0.83 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2hgj h ALA 117 CO -0.51 -0.74 -0.01 -0.07 0.00 0.00 0.00 179.25 177.91 2hgj h LEU 118 N -0.21 -0.04 0.00 0.00 3.38 0.29 -0.48 115.31 118.26 2hgj h LEU 118 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2hgj h LEU 118 Cb 0.56 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2hgj h LEU 118 CO -0.64 -0.02 0.00 -1.14 0.09 0.00 0.00 178.44 176.72 2hgj n ARG 119 N -2.23 0.00 0.04 1.13 0.63 0.82 0.31 116.66 117.35 2hgj n ARG 119 Ca -0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 2hgj n ARG 119 Cb 0.01 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.78 2hgj n ARG 119 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2hgj h ILE 120 N 0.00 1.15 -0.67 5.15 2.04 -1.14 0.74 117.51 124.77 2hgj h ILE 120 Ca 0.00 -2.47 0.16 0.00 1.00 0.00 0.00 64.86 63.55 2hgj h ILE 120 Cb 0.00 2.86 -0.13 0.00 -0.74 0.00 0.00 36.82 38.82 2hgj h ILE 120 CO 0.00 0.74 -0.08 0.00 0.00 0.00 0.00 178.15 178.80 2hgj n ALA 121 N -2.86 0.25 -0.06 1.87 0.00 0.90 -0.79 120.51 119.81 2hgj n ALA 121 Ca -0.22 0.73 -0.06 0.00 0.00 0.00 0.00 53.44 53.90 2hgj n ALA 121 Cb 0.92 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 2hgj n ALA 121 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2hgj h GLY 122 N 0.00 0.00 -0.48 0.00 0.00 -1.07 -0.10 103.07 101.43 2hgj h GLY 122 Ca 0.36 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.89 2hgj h GLY 122 CO -0.66 0.00 0.26 1.57 0.00 0.00 0.00 176.54 177.71 2hgj n HIS 123 N -4.69 0.53 0.00 5.60 -0.00 0.25 0.24 115.22 117.15 2hgj n HIS 123 Ca -0.06 0.53 0.00 0.00 -0.00 0.00 0.00 57.72 58.19 2hgj n HIS 123 Cb 0.21 -0.98 0.00 0.00 -0.00 0.00 0.00 29.99 29.22 2hgj n HIS 123 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2hgj n LYS 124 N -4.01 0.00 0.00 1.57 4.81 0.03 -4.69 118.16 115.87 2hgj n LYS 124 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2hgj n LYS 124 Cb 0.61 -0.64 0.00 0.00 0.02 0.00 0.00 35.03 35.02 2hgj n LYS 124 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2hgj n LEU 125 N -0.42 0.00 -0.05 3.14 4.77 0.66 -3.85 117.00 121.25 2hgj n LEU 125 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2hgj n LEU 125 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2hgj n LEU 125 CO 0.00 0.00 0.55 -0.81 -1.33 0.00 0.00 177.39 175.80 2hgj n PRO 126 N 0.00 1.87 0.00 3.23 -0.04 -1.26 -5.04 135.00 133.75 2hgj n PRO 126 Ca 0.00 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 2hgj n PRO 126 Cb 0.00 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 2hgj n PRO 126 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2hgj n ILE 127 N -1.11 0.00 -3.38 0.52 -6.64 -1.25 -5.05 119.36 102.45 2hgj n ILE 127 Ca 0.11 0.00 -0.38 0.00 -1.77 0.00 0.00 62.75 60.71 2hgj n ILE 127 Cb 0.51 0.00 -0.07 0.00 -1.44 0.00 0.00 39.64 38.64 2hgj n ILE 127 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 2hgj s LYS 128 N 2.50 4.26 0.10 6.28 1.02 -1.26 -4.74 119.74 127.91 2hgj s LYS 128 Ca 0.00 0.30 -0.26 0.00 0.02 0.00 0.00 55.97 56.03 2hgj s LYS 128 Cb 0.00 -3.47 0.08 0.00 -0.52 0.00 0.00 37.83 33.91 2hgj s LYS 128 CO 0.00 0.09 0.95 0.95 -0.92 0.00 0.00 175.35 176.43 2hgj s THR 129 N 0.87 0.00 0.17 2.17 -4.23 -1.26 -1.18 115.64 112.18 2hgj s THR 129 Ca 0.22 -0.47 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 2hgj s THR 129 Cb -0.15 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.96 2hgj s THR 129 CO 0.08 0.00 0.13 1.17 -0.54 0.00 0.00 174.62 175.46 2hgj n LYS 130 N -0.41 0.32 -4.03 3.99 4.81 -0.33 -4.91 118.16 117.60 2hgj n LYS 130 Ca -0.07 -1.68 -0.09 0.00 -0.87 0.00 0.00 58.31 55.60 2hgj n LYS 130 Cb 0.61 1.27 -0.08 0.00 0.02 0.00 0.00 35.03 36.85 2hgj n LYS 130 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2hgj s ILE 131 N -2.60 0.09 0.00 3.15 1.01 -1.26 -0.73 121.20 120.86 2hgj s ILE 131 Ca 0.18 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.24 2hgj s ILE 131 Cb 0.01 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.62 2hgj s ILE 131 CO 0.13 -0.42 0.00 1.33 0.00 0.00 0.00 174.94 175.97 2hgj n VAL 132 N -0.14 0.00 -3.70 2.92 0.24 -0.08 -4.87 118.33 112.70 2hgj n VAL 132 Ca -0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 2hgj n VAL 132 Cb 0.63 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.92 2hgj n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgj s ARG 133 N 3.18 0.71 0.72 7.34 3.03 -1.26 -1.29 118.95 131.39 2hgj s ARG 133 Ca 0.00 0.14 -0.16 0.00 2.03 0.00 0.00 55.73 57.75 2hgj s ARG 133 Cb 0.00 0.33 0.03 0.00 -1.03 0.00 0.00 34.95 34.28 2hgj s ARG 133 CO 0.00 -0.18 1.23 -0.98 -1.13 0.00 0.00 175.30 174.24 2hgj s ARG 134 N -0.84 2.14 -0.37 3.89 1.04 -1.26 -4.98 118.95 118.57 2hgj s ARG 134 Ca -0.09 1.85 0.07 0.00 -1.04 0.00 0.00 55.73 56.52 2hgj s ARG 134 Cb -0.04 -1.82 0.29 0.00 -2.04 0.00 0.00 34.95 31.34 2hgj s ARG 134 CO 0.04 -1.86 1.26 -0.25 -0.04 0.00 0.00 175.30 174.46 2hgj n ASP 135 N -2.60 -1.67 -0.13 -2.89 8.00 -1.26 -4.77 116.55 111.22 2hgj n ASP 135 Ca 0.14 -2.21 0.00 0.00 0.71 0.00 0.00 54.79 53.43 2hgj n ASP 135 Cb 0.50 1.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.62 2hgj n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hgj n ALA 136 N -0.56 1.02 -0.48 2.24 0.00 -1.26 -5.12 120.51 116.34 2hgj n ALA 136 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2hgj n ALA 136 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.24 2hgj n ALA 136 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2hgj n TYR 137 N 0.00 0.00 0.00 0.00 9.36 -1.26 -4.88 117.16 120.38 2hgj n TYR 137 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2hgj n TYR 137 Cb 0.38 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.09 2hgj n TYR 137 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2hgj n ASP 138 N 6.68 0.00 -4.41 2.98 8.00 -1.26 -4.81 116.55 123.73 2hgj n ASP 138 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 2hgj n ASP 138 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2hgj n ASP 138 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2hgj s GLU 139 N -2.88 3.54 0.30 -1.24 -6.30 -1.26 -5.12 118.70 105.74 2hgj s GLU 139 Ca 0.00 -0.56 0.02 0.00 -2.50 0.00 0.00 54.97 51.92 2hgj s GLU 139 Cb 0.00 -2.98 0.02 0.00 0.00 0.00 0.00 34.13 31.17 2hgj s GLU 139 CO 0.00 0.02 0.15 0.00 0.02 0.00 0.00 175.26 175.46 2hgj n ALA 140 N 4.17 0.40 1.95 6.30 0.00 -1.26 -5.26 120.51 126.81 2hgj n ALA 140 Ca -0.18 -1.24 0.16 0.00 0.00 0.00 0.00 53.44 52.18 2hgj n ALA 140 Cb 0.52 0.57 0.91 0.00 0.00 0.00 0.00 19.45 21.44 2hgj n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50