#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu s LYS 2 N 0.00 0.53 -0.28 3.17 -2.85 -1.26 -1.30 119.74 117.76 2hgu s LYS 2 Ca 0.00 -0.44 -0.20 0.00 -1.00 0.00 0.00 55.97 54.33 2hgu s LYS 2 Cb 0.00 0.22 0.11 0.00 -2.06 0.00 0.00 37.83 36.10 2hgu s LYS 2 CO 0.00 -0.13 0.87 0.20 0.10 0.00 0.00 175.35 176.39 2hgu s GLY 3 N -1.52 -0.31 0.09 0.59 0.00 0.16 -4.94 107.32 101.39 2hgu s GLY 3 Ca -0.13 2.63 -0.17 0.00 0.00 0.00 0.00 44.72 47.05 2hgu s GLY 3 CO 0.01 2.19 0.55 -1.50 0.00 0.00 0.00 173.10 174.35 2hgu s ILE 4 N 0.95 4.80 -0.03 0.90 1.10 -1.26 -0.80 121.20 126.87 2hgu s ILE 4 Ca -0.04 1.05 -0.02 0.00 -0.51 0.00 0.00 60.65 61.13 2hgu s ILE 4 Cb -0.05 -3.82 0.01 0.00 0.15 0.00 0.00 42.46 38.75 2hgu s ILE 4 CO -0.11 0.45 0.07 -1.48 -2.11 0.00 0.00 174.94 171.76 2hgu s LEU 5 N -1.40 1.53 -0.31 8.50 -0.00 -0.05 -4.43 118.68 122.52 2hgu s LEU 5 Ca 0.32 0.14 -0.10 0.00 -0.00 0.00 0.00 54.13 54.49 2hgu s LEU 5 Cb -0.18 0.19 -0.01 0.00 -0.00 0.00 0.00 46.19 46.20 2hgu s LEU 5 CO 0.18 -0.05 0.15 -0.83 -0.00 0.00 0.00 176.35 175.80 2hgu s GLY 6 N 0.33 1.87 0.13 -3.48 0.00 -0.28 -1.17 107.32 104.72 2hgu s GLY 6 Ca -0.02 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 43.38 2hgu s GLY 6 CO -0.01 0.68 0.13 0.54 0.00 0.00 0.00 173.10 174.44 2hgu s VAL 7 N 1.62 4.59 0.00 1.40 0.11 0.09 -0.76 120.40 127.45 2hgu s VAL 7 Ca 0.05 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2hgu s VAL 7 Cb -0.17 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2hgu s VAL 7 CO 0.06 -0.02 0.00 1.17 -3.33 0.00 0.00 175.10 172.98 2hgu n LYS 8 N -0.07 0.00 -4.16 1.54 0.00 0.68 -0.81 118.16 115.33 2hgu n LYS 8 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 57.97 2hgu n LYS 8 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.50 2hgu n LYS 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2hgu s VAL 9 N 3.55 2.03 0.13 3.15 -7.23 -1.26 -0.07 120.40 120.70 2hgu s VAL 9 Ca 0.00 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2hgu s VAL 9 Cb 0.00 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2hgu s VAL 9 CO 0.00 0.00 0.27 -0.83 -0.31 0.00 0.00 175.10 174.23 2hgu s GLY 10 N -3.98 1.80 -0.24 2.32 0.00 -1.26 -0.74 107.32 105.23 2hgu s GLY 10 Ca 0.35 -1.00 -0.26 0.00 0.00 0.00 0.00 44.72 43.81 2hgu s GLY 10 CO 0.20 -0.99 0.85 -0.29 0.00 0.00 0.00 173.10 172.87 2hgu s MET 11 N -3.09 0.72 0.61 2.90 0.00 -0.04 -4.93 119.30 115.47 2hgu s MET 11 Ca 0.35 0.70 -0.19 0.00 0.00 0.00 0.00 55.69 56.54 2hgu s MET 11 Cb -0.11 0.35 -0.03 0.00 0.00 0.00 0.00 34.83 35.03 2hgu s MET 11 CO 0.28 -0.12 1.20 0.25 0.00 0.00 0.00 175.02 176.64 2hgu n THR 12 N 2.15 4.28 -4.14 10.11 -2.24 -1.26 -2.81 114.28 120.37 2hgu n THR 12 Ca -0.14 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 2hgu n THR 12 Cb 0.56 -1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 67.26 2hgu n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hgu s ARG 13 N -3.05 0.85 0.12 -0.78 1.04 -0.14 -4.82 118.95 112.17 2hgu s ARG 13 Ca 0.78 -1.38 0.03 0.00 -1.04 0.00 0.00 55.73 54.12 2hgu s ARG 13 Cb -0.40 0.18 -0.04 0.00 -2.04 0.00 0.00 34.95 32.65 2hgu s ARG 13 CO 0.45 -0.20 0.16 0.96 -0.04 0.00 0.00 175.30 176.63 2hgu s ILE 14 N -3.97 4.81 0.24 4.99 -5.25 -1.26 -0.93 121.20 119.83 2hgu s ILE 14 Ca 0.19 -0.81 0.00 0.00 -0.99 0.00 0.00 60.65 59.04 2hgu s ILE 14 Cb 0.07 -3.41 -0.00 0.00 2.95 0.00 0.00 42.46 42.08 2hgu s ILE 14 CO -0.02 -0.00 0.00 0.33 -1.79 0.00 0.00 174.94 173.46 2hgu n PHE 15 N -0.07 0.55 0.00 1.37 7.35 -0.04 -4.83 117.46 121.80 2hgu n PHE 15 Ca -0.08 -1.18 0.00 0.00 -0.76 0.00 0.00 57.45 55.43 2hgu n PHE 15 Cb 0.53 -0.16 0.00 0.00 0.35 0.00 0.00 39.48 40.21 2hgu n PHE 15 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2hgu n ARG 16 N -0.59 0.00 0.00 -4.13 1.74 -1.26 -3.75 116.66 108.67 2hgu n ARG 16 Ca -0.10 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.06 2hgu n ARG 16 Cb 0.30 0.00 0.43 0.00 -1.02 0.00 0.00 32.46 32.17 2hgu n ARG 16 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2hgu n ASP 17 N 0.00 0.00 -3.95 0.55 3.85 -1.26 -4.67 116.55 111.06 2hgu n ASP 17 Ca 0.00 -0.07 -0.09 0.00 -0.71 0.00 0.00 54.79 53.92 2hgu n ASP 17 Cb 0.00 -0.23 -0.10 0.00 -1.35 0.00 0.00 41.12 39.45 2hgu n ASP 17 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 2hgu s ASP 18 N -2.45 0.22 0.88 -1.12 3.84 -1.25 -5.14 116.67 111.65 2hgu s ASP 18 Ca 0.18 -0.59 -0.11 0.00 -0.00 0.00 0.00 52.55 52.03 2hgu s ASP 18 Cb 0.11 0.21 0.17 0.00 -1.38 0.00 0.00 42.92 42.03 2hgu s ASP 18 CO 0.24 -0.49 1.21 -0.60 -0.00 0.00 0.00 175.17 175.52 2hgu s ARG 19 N -2.63 1.01 -0.07 2.11 3.52 -1.26 -0.86 118.95 120.77 2hgu s ARG 19 Ca -0.05 -0.66 -0.28 0.00 -0.13 0.00 0.00 55.73 54.61 2hgu s ARG 19 Cb -0.01 -2.02 0.09 0.00 -1.56 0.00 0.00 34.95 31.46 2hgu s ARG 19 CO -0.05 -2.08 1.27 0.00 -0.81 0.00 0.00 175.30 173.64 2hgu n ALA 20 N -3.44 -3.65 -2.53 6.12 0.00 -0.11 -4.58 120.51 112.32 2hgu n ALA 20 Ca 0.15 -0.70 -0.22 0.00 0.00 0.00 0.00 53.44 52.67 2hgu n ALA 20 Cb 0.60 0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 2hgu n ALA 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgu s VAL 21 N -2.01 1.63 0.03 0.00 0.11 -1.26 -0.97 120.40 117.94 2hgu s VAL 21 Ca 0.30 -1.64 0.00 0.00 -2.93 0.00 0.00 61.98 57.72 2hgu s VAL 21 Cb -0.00 -1.58 -0.00 0.00 -1.53 0.00 0.00 36.38 33.27 2hgu s VAL 21 CO -0.02 -0.19 0.01 -0.81 -3.33 0.00 0.00 175.10 170.76 2hgu n PRO 22 N 0.83 0.85 -4.02 1.54 -0.04 -1.12 -4.15 135.00 128.89 2hgu n PRO 22 Ca -0.18 -0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 62.89 2hgu n PRO 22 Cb 0.55 0.15 -0.13 0.00 -0.04 0.00 0.00 33.50 34.03 2hgu n PRO 22 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hgu s VAL 23 N -1.68 0.27 -0.54 0.52 -7.23 -1.26 -0.87 120.40 109.61 2hgu s VAL 23 Ca 0.02 -0.53 -0.27 0.00 -1.81 0.00 0.00 61.98 59.39 2hgu s VAL 23 Cb 0.00 -0.30 0.03 0.00 0.56 0.00 0.00 36.38 36.67 2hgu s VAL 23 CO 0.01 -0.17 1.11 -0.89 -0.31 0.00 0.00 175.10 174.85 2hgu s THR 24 N -0.69 4.17 -0.06 5.32 2.01 0.08 -1.07 115.64 125.39 2hgu s THR 24 Ca -0.05 0.85 0.01 0.00 0.31 0.00 0.00 61.69 62.80 2hgu s THR 24 Cb -0.05 -4.64 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 2hgu s THR 24 CO -0.00 -1.18 -0.07 0.68 -0.69 0.00 0.00 174.62 173.36 2hgu s VAL 25 N 4.56 3.70 -0.06 3.82 -7.23 -0.06 -0.23 120.40 124.89 2hgu s VAL 25 Ca 0.41 -0.50 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 2hgu s VAL 25 Cb -0.08 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.35 2hgu s VAL 25 CO 0.26 0.59 -0.10 -0.51 -0.31 0.00 0.00 175.10 175.02 2hgu s ILE 26 N -0.82 1.01 -0.29 -0.62 1.10 0.06 -0.73 121.20 120.90 2hgu s ILE 26 Ca 0.13 -0.40 -0.04 0.00 -0.51 0.00 0.00 60.65 59.83 2hgu s ILE 26 Cb -0.11 -0.94 0.10 0.00 0.15 0.00 0.00 42.46 41.66 2hgu s ILE 26 CO 0.02 0.33 0.13 -0.22 -2.11 0.00 0.00 174.94 173.09 2hgu s LEU 27 N 0.76 0.63 0.63 8.50 2.96 -0.23 -1.13 118.68 130.80 2hgu s LEU 27 Ca -0.13 -1.32 0.26 0.00 -0.22 0.00 0.00 54.13 52.71 2hgu s LEU 27 Cb -0.15 -0.38 1.33 0.00 0.50 0.00 0.00 46.19 47.49 2hgu s LEU 27 CO 0.03 -0.44 1.75 0.00 -1.32 0.00 0.00 176.35 176.37 2hgu h ALA 28 N 8.37 1.90 0.00 5.97 0.00 -1.84 -3.44 119.26 130.23 2hgu h ALA 28 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2hgu h ALA 28 Cb 1.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2hgu h ALA 28 CO 0.44 -0.69 0.00 0.41 0.00 0.00 0.00 179.25 179.40 2hgu n GLY 29 N -1.41 2.45 0.00 0.00 0.00 -1.26 -4.64 105.19 100.32 2hgu n GLY 29 Ca 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2hgu n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgu n PRO 30 N 1.68 0.67 -3.15 1.61 -0.04 0.46 -4.47 135.00 131.76 2hgu n PRO 30 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2hgu n PRO 30 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 2hgu n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgu n PRO 32 N 5.42 0.00 -0.09 0.00 -0.04 -1.23 -4.54 135.00 134.52 2hgu n PRO 32 Ca 0.01 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2hgu n PRO 32 Cb 0.52 -0.27 -0.08 0.00 -0.04 0.00 0.00 33.50 33.63 2hgu n PRO 32 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2hgu h VAL 33 N 0.91 0.04 -3.88 0.52 -1.51 -1.80 -3.40 116.25 107.13 2hgu h VAL 33 Ca 0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 66.70 65.08 2hgu h VAL 33 Cb 0.03 0.04 -0.21 0.00 -2.13 0.00 0.00 31.29 29.02 2hgu h VAL 33 CO 0.03 0.00 -0.77 -0.69 -1.23 0.00 0.00 177.57 174.91 2hgu s VAL 34 N -5.73 1.08 0.29 7.19 1.01 -0.36 -4.64 120.40 119.24 2hgu s VAL 34 Ca -0.15 -1.38 0.10 0.00 0.00 0.00 0.00 61.98 60.55 2hgu s VAL 34 Cb 0.09 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2hgu s VAL 34 CO 0.63 -0.30 -0.05 -1.10 0.00 0.00 0.00 175.10 174.28 2hgu s GLN 35 N -1.97 2.08 -0.36 2.72 1.11 -1.26 -1.25 119.66 120.72 2hgu s GLN 35 Ca -0.00 -1.60 -0.00 0.00 0.01 0.00 0.00 55.36 53.76 2hgu s GLN 35 Cb -0.09 -2.00 0.12 0.00 -1.01 0.00 0.00 33.01 30.04 2hgu s GLN 35 CO 0.02 0.29 0.17 1.03 0.01 0.00 0.00 175.29 176.81 2hgu s ARG 36 N -3.65 0.76 0.27 2.91 0.52 -0.29 -4.91 118.95 114.56 2hgu s ARG 36 Ca 0.32 -1.34 0.22 0.00 -0.52 0.00 0.00 55.73 54.41 2hgu s ARG 36 Cb -0.04 -1.79 1.02 0.00 0.52 0.00 0.00 34.95 34.66 2hgu s ARG 36 CO 0.19 -1.10 1.67 0.54 0.02 0.00 0.00 175.30 176.61 2hgu n ARG 37 N 4.30 0.17 0.00 3.54 1.74 -1.26 -1.19 116.66 123.96 2hgu n ARG 37 Ca 0.04 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 2hgu n ARG 37 Cb 0.38 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 2hgu n ARG 37 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2hgu n THR 38 N -2.21 0.00 0.02 0.55 -1.04 0.70 -4.75 114.28 107.54 2hgu n THR 38 Ca 0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.86 2hgu n THR 38 Cb 0.15 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.52 2hgu n THR 38 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2hgu h PRO 39 N 0.31 0.18 0.00 -2.82 0.11 -2.01 -3.40 132.00 124.37 2hgu h PRO 39 Ca 0.00 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2hgu h PRO 39 Cb 0.00 0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2hgu h PRO 39 CO 0.00 0.96 0.00 0.39 -0.21 0.00 0.00 178.00 179.14 2hgu n GLU 40 N -3.34 0.00 -4.57 1.05 -0.58 -1.26 -4.93 120.64 107.01 2hgu n GLU 40 Ca -0.21 0.36 -0.21 0.00 -0.42 0.00 0.00 57.16 56.68 2hgu n GLU 40 Cb 1.05 -0.90 -0.15 0.00 -0.57 0.00 0.00 31.44 30.86 2hgu n GLU 40 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2hgu s LYS 41 N -0.86 1.04 0.00 3.49 3.01 -1.26 -4.96 119.74 120.19 2hgu s LYS 41 Ca 0.00 -0.45 0.25 0.00 -1.01 0.00 0.00 55.97 54.76 2hgu s LYS 41 Cb 0.00 -1.00 0.48 0.00 -1.01 0.00 0.00 37.83 36.29 2hgu s LYS 41 CO 0.00 0.27 1.42 -0.25 0.51 0.00 0.00 175.35 177.30 2hgu n ASP 42 N 2.79 2.54 -2.20 2.83 10.43 -1.26 0.25 116.55 131.92 2hgu n ASP 42 Ca -0.14 -1.84 -0.26 0.00 2.57 0.00 0.00 54.79 55.11 2hgu n ASP 42 Cb 0.56 -0.02 0.13 0.00 1.84 0.00 0.00 41.12 43.63 2hgu n ASP 42 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hgu n GLY 43 N 1.30 4.85 3.27 0.44 0.00 -1.26 -4.97 105.19 108.83 2hgu n GLY 43 Ca 0.16 -1.46 -0.54 0.00 0.00 0.00 0.00 46.02 44.18 2hgu n GLY 43 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2hgu n TYR 44 N -0.94 0.41 0.00 1.61 4.19 -1.15 -4.55 117.16 116.74 2hgu n TYR 44 Ca 0.57 0.98 0.00 0.00 3.31 0.00 0.00 57.90 62.76 2hgu n TYR 44 Cb 1.24 -1.94 0.00 0.00 0.49 0.00 0.00 39.34 39.13 2hgu n TYR 44 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 2hgu n THR 45 N 1.16 0.00 -4.74 2.97 5.66 -0.33 -0.97 114.28 118.03 2hgu n THR 45 Ca 0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.92 2hgu n THR 45 Cb 0.10 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.74 2hgu n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hgu s ALA 46 N -1.00 1.80 -0.20 1.79 0.00 -0.61 -1.14 121.76 122.41 2hgu s ALA 46 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2hgu s ALA 46 Cb 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2hgu s ALA 46 CO 0.00 0.41 -0.10 0.08 0.00 0.00 0.00 175.76 176.15 2hgu s VAL 47 N -0.74 1.66 0.25 0.00 1.01 -0.38 -0.82 120.40 121.37 2hgu s VAL 47 Ca 0.08 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2hgu s VAL 47 Cb -0.09 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2hgu s VAL 47 CO 0.01 0.17 0.06 0.00 0.00 0.00 0.00 175.10 175.35 2hgu n GLN 48 N 4.68 0.88 -3.98 2.72 1.13 -0.20 -1.23 117.38 121.38 2hgu n GLN 48 Ca -0.15 -1.99 -0.08 0.00 -1.94 0.00 0.00 57.00 52.84 2hgu n GLN 48 Cb 0.46 0.93 -0.09 0.00 0.11 0.00 0.00 30.24 31.66 2hgu n GLN 48 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2hgu s LEU 49 N 0.00 1.99 -0.03 1.08 1.98 -1.25 -1.27 118.68 121.18 2hgu s LEU 49 Ca 0.09 -0.83 0.14 0.00 -2.89 0.00 0.00 54.13 50.64 2hgu s LEU 49 Cb 0.00 0.59 0.25 0.00 0.66 0.00 0.00 46.19 47.70 2hgu s LEU 49 CO 0.06 -0.66 1.11 0.61 -1.89 0.00 0.00 176.35 175.58 2hgu n GLY 50 N 0.04 1.45 0.00 7.98 0.00 -0.48 -3.01 105.19 111.17 2hgu n GLY 50 Ca -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2hgu n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2hgu n PHE 51 N 0.03 0.00 -3.15 1.61 -1.74 -1.26 -3.65 117.46 109.30 2hgu n PHE 51 Ca 0.06 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 57.00 2hgu n PHE 51 Cb 0.90 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.88 2hgu n PHE 51 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2hgu s LEU 52 N 0.00 -0.11 0.05 5.98 2.34 -1.26 -3.49 118.68 122.19 2hgu s LEU 52 Ca 0.00 0.06 -0.21 0.00 0.06 0.00 0.00 54.13 54.03 2hgu s LEU 52 Cb 0.00 1.09 -0.06 0.00 -0.56 0.00 0.00 46.19 46.66 2hgu s LEU 52 CO 0.00 -0.02 0.64 -2.16 -1.06 0.00 0.00 176.35 173.75 2hgu s PRO 53 N 2.99 4.34 0.00 1.48 0.04 -0.35 -4.74 135.00 138.76 2hgu s PRO 53 Ca -0.02 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2hgu s PRO 53 Cb -0.07 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2hgu s PRO 53 CO -0.10 0.45 0.00 0.94 0.04 0.00 0.00 177.00 178.33 2hgu n GLN 54 N 2.32 0.00 0.30 4.56 -0.06 -1.26 -4.69 117.38 118.54 2hgu n GLN 54 Ca -0.07 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.78 2hgu n GLN 54 Cb 0.50 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.61 2hgu n GLN 54 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 2hgu h ASN 55 N 0.00 -0.65 -0.85 1.69 -0.73 -1.92 -3.17 115.58 109.95 2hgu h ASN 55 Ca 0.00 -0.04 0.12 0.00 1.87 0.00 0.00 56.30 58.25 2hgu h ASN 55 Cb 0.00 0.17 -0.13 0.00 0.27 0.00 0.00 38.32 38.63 2hgu h ASN 55 CO 0.00 -0.32 -0.36 -2.65 -0.37 0.00 0.00 177.43 173.73 2hgu n PRO 56 N -5.34 -0.23 0.00 6.67 -0.02 -1.26 -2.41 135.00 132.41 2hgu n PRO 56 Ca -0.12 1.31 0.00 0.00 -2.02 0.00 0.00 63.50 62.67 2hgu n PRO 56 Cb 0.34 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2hgu n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2hgu n LYS 57 N -5.22 0.00 -3.29 -0.52 5.02 -1.20 -4.70 118.16 108.25 2hgu n LYS 57 Ca 0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 2hgu n LYS 57 Cb 0.32 -1.06 -0.08 0.00 -0.02 0.00 0.00 35.03 34.19 2hgu n LYS 57 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2hgu s ARG 58 N -0.73 3.54 0.59 1.97 6.06 -1.01 -5.04 118.95 124.33 2hgu s ARG 58 Ca 0.00 -0.30 -0.18 0.00 -2.50 0.00 0.00 55.73 52.76 2hgu s ARG 58 Cb 0.00 -3.83 -0.09 0.00 0.06 0.00 0.00 34.95 31.09 2hgu s ARG 58 CO 0.00 -0.65 0.36 0.28 -2.50 0.00 0.00 175.30 172.79 2hgu n VAL 59 N 5.40 1.68 0.04 7.11 0.31 -1.26 -4.56 118.33 127.05 2hgu n VAL 59 Ca -0.06 -0.49 -0.02 0.00 -0.01 0.00 0.00 64.34 63.76 2hgu n VAL 59 Cb 0.49 -0.53 -0.01 0.00 -0.91 0.00 0.00 33.84 32.87 2hgu n VAL 59 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2hgu h ASN 60 N 0.08 -0.17 -0.99 4.52 7.08 -1.97 -0.24 115.58 123.89 2hgu h ASN 60 Ca -0.45 0.01 0.37 0.00 -3.08 0.00 0.00 56.30 53.16 2hgu h ASN 60 Cb 1.40 0.05 -0.18 0.00 -2.08 0.00 0.00 38.32 37.52 2hgu h ASN 60 CO 0.45 -0.08 0.44 0.03 -2.08 0.00 0.00 177.43 176.18 2hgu h ARG 61 N -0.13 0.05 0.52 4.14 -0.00 -2.00 1.14 114.38 118.10 2hgu h ARG 61 Ca -0.01 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.44 2hgu h ARG 61 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.07 2hgu h ARG 61 CO -0.00 0.03 -0.27 -1.35 0.00 0.00 0.00 179.97 178.38 2hgu h PRO 62 N 0.05 -0.70 -0.27 0.04 0.11 -1.78 0.84 132.00 130.29 2hgu h PRO 62 Ca 0.78 0.05 0.07 0.00 0.11 0.00 0.00 66.00 67.01 2hgu h PRO 62 Cb 1.96 0.16 -0.05 0.00 0.11 0.00 0.00 31.00 33.17 2hgu h PRO 62 CO -0.78 -0.46 -0.01 1.28 -0.21 0.00 0.00 178.00 177.82 2hgu n LEU 63 N -4.00 -0.05 0.02 2.35 4.77 0.38 0.21 117.00 120.68 2hgu n LEU 63 Ca -0.09 0.47 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 2hgu n LEU 63 Cb 0.29 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.08 2hgu n LEU 63 CO 0.21 -0.47 -0.42 0.11 -1.33 0.00 0.00 177.39 175.49 2hgu h LYS 64 N 0.00 0.13 -0.60 3.23 1.57 -0.63 -0.43 116.57 119.84 2hgu h LYS 64 Ca 0.16 -0.22 0.17 0.00 -1.87 0.00 0.00 60.65 58.89 2hgu h LYS 64 Cb 0.31 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2hgu h LYS 64 CO -0.26 0.88 0.82 0.78 -0.57 0.00 0.00 179.45 181.09 2hgu h GLY 65 N 2.44 0.00 0.00 3.86 0.00 0.50 1.08 103.07 110.94 2hgu h GLY 65 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2hgu h GLY 65 CO 0.12 0.00 -0.11 0.84 0.00 0.00 0.00 176.54 177.38 2hgu h HIS 66 N 0.00 0.00 0.00 5.60 -0.00 -1.11 -3.39 115.15 116.25 2hgu h HIS 66 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 2hgu h HIS 66 Cb 1.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.32 2hgu h HIS 66 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.93 179.12 2hgu n PHE 67 N -3.47 0.00 0.00 5.26 3.01 0.36 0.30 117.46 122.92 2hgu n PHE 67 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2hgu n PHE 67 Cb 0.06 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 2hgu n PHE 67 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgu n ALA 68 N -2.13 0.00 0.80 4.37 0.00 -0.32 -0.48 120.51 122.75 2hgu n ALA 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2hgu n ALA 68 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2hgu n ALA 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2hgu n LYS 69 N 0.00 1.81 -0.58 0.00 4.81 -0.94 -5.01 118.16 118.25 2hgu n LYS 69 Ca 0.00 -0.75 0.00 0.00 -0.87 0.00 0.00 58.31 56.69 2hgu n LYS 69 Cb 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.53 2hgu n LYS 69 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgu n ALA 70 N 0.12 -1.00 -1.00 3.14 0.00 0.15 -5.03 120.51 116.88 2hgu n ALA 70 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2hgu n ALA 70 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2hgu n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 71 N -0.59 0.17 0.00 0.00 0.00 -1.26 -4.99 105.19 98.52 2hgu n GLY 71 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2hgu n GLY 71 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgu n VAL 72 N -0.13 0.00 -2.57 1.61 0.24 -1.26 -5.10 118.33 111.11 2hgu n VAL 72 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 2hgu n VAL 72 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 2hgu n VAL 72 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hgu n GLU 73 N 0.00 2.22 0.00 7.34 -0.58 -1.26 -5.07 120.64 123.28 2hgu n GLU 73 Ca 0.00 -3.72 0.00 0.00 -0.42 0.00 0.00 57.16 53.02 2hgu n GLU 73 Cb 0.00 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 2hgu n GLU 73 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2hgu n PRO 74 N -0.47 1.25 0.00 3.49 -0.04 -1.23 -1.21 135.00 136.79 2hgu n PRO 74 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2hgu n PRO 74 Cb 0.82 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.28 2hgu n PRO 74 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2hgu n VAL 75 N 0.00 0.00 -2.89 0.52 0.24 -1.26 -3.72 118.33 111.22 2hgu n VAL 75 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.86 2hgu n VAL 75 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 2hgu n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgu s ARG 76 N 0.00 3.78 0.04 7.34 1.70 -1.26 -4.93 118.95 125.62 2hgu s ARG 76 Ca 0.00 -2.00 0.05 0.00 -0.47 0.00 0.00 55.73 53.31 2hgu s ARG 76 Cb 0.00 -5.03 -0.02 0.00 -0.57 0.00 0.00 34.95 29.32 2hgu s ARG 76 CO 0.00 -1.83 -0.14 -1.50 -1.08 0.00 0.00 175.30 170.75 2hgu s ILE 77 N 2.58 1.07 -0.21 4.99 2.07 -1.26 -1.39 121.20 129.05 2hgu s ILE 77 Ca 0.38 -0.98 -0.34 0.00 -1.41 0.00 0.00 60.65 58.30 2hgu s ILE 77 Cb -0.03 -0.98 0.15 0.00 0.13 0.00 0.00 42.46 41.73 2hgu s ILE 77 CO -0.05 -0.00 1.24 -0.76 -1.91 0.00 0.00 174.94 173.45 2hgu s LEU 78 N -1.12 -0.12 0.00 8.50 2.01 -0.40 -4.99 118.68 122.56 2hgu s LEU 78 Ca 0.01 0.04 0.05 0.00 0.01 0.00 0.00 54.13 54.23 2hgu s LEU 78 Cb -0.08 1.33 0.05 0.00 0.01 0.00 0.00 46.19 47.50 2hgu s LEU 78 CO 0.01 -0.18 0.37 -1.14 1.01 0.00 0.00 176.35 176.42 2hgu n ARG 79 N 0.08 0.87 0.00 1.70 0.63 -1.26 -1.04 116.66 117.64 2hgu n ARG 79 Ca 0.00 -2.20 0.00 0.00 -0.92 0.00 0.00 57.85 54.74 2hgu n ARG 79 Cb 0.58 0.08 0.00 0.00 0.45 0.00 0.00 32.46 33.57 2hgu n ARG 79 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2hgu n GLU 80 N -1.55 0.00 -2.50 -0.14 0.00 -0.00 -4.93 120.64 111.51 2hgu n GLU 80 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.81 2hgu n GLU 80 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.81 2hgu n GLU 80 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2hgu s ILE 81 N -0.91 3.58 -1.64 3.84 1.01 -1.26 -1.57 121.20 124.24 2hgu s ILE 81 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.09 2hgu s ILE 81 Cb 0.00 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2hgu s ILE 81 CO 0.00 0.23 0.00 0.54 0.00 0.00 0.00 174.94 175.71 2hgu n ARG 82 N 0.72 -1.24 -3.45 2.79 5.12 -0.14 -4.94 116.66 115.53 2hgu n ARG 82 Ca 0.01 1.04 -0.43 0.00 -1.93 0.00 0.00 57.85 56.54 2hgu n ARG 82 Cb 0.47 -5.26 -0.07 0.00 -1.16 0.00 0.00 32.46 26.44 2hgu n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2hgu s ASP 83 N -2.74 5.95 0.67 0.55 1.11 -1.25 -5.03 116.67 115.93 2hgu s ASP 83 Ca 0.00 -1.98 -0.12 0.00 0.18 0.00 0.00 52.55 50.63 2hgu s ASP 83 Cb 0.00 -2.09 -0.00 0.00 1.07 0.00 0.00 42.92 41.90 2hgu s ASP 83 CO 0.00 -0.73 1.06 0.12 1.18 0.00 0.00 175.17 176.80 2hgu s PHE 84 N 1.28 3.11 -0.63 4.23 5.36 -1.26 -3.21 117.98 126.86 2hgu s PHE 84 Ca 0.06 1.43 0.05 0.00 -0.96 0.00 0.00 56.93 57.52 2hgu s PHE 84 Cb -0.26 -2.89 0.18 0.00 -0.34 0.00 0.00 43.02 39.71 2hgu s PHE 84 CO -0.00 -1.18 0.50 0.09 -1.46 0.00 0.00 175.22 173.16 2hgu n ASN 85 N -2.92 2.32 -3.63 6.13 5.03 -1.26 -4.93 115.26 116.00 2hgu n ASN 85 Ca 0.08 -3.06 -0.41 0.00 0.87 0.00 0.00 54.58 52.06 2hgu n ASN 85 Cb 0.53 -0.70 -0.01 0.00 -1.02 0.00 0.00 39.78 38.59 2hgu n ASN 85 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2hgu n PRO 86 N 1.98 3.69 0.00 3.52 -0.04 -1.26 -4.82 135.00 138.08 2hgu n PRO 86 Ca 0.23 -3.02 0.00 0.00 -0.04 0.00 0.00 63.50 60.67 2hgu n PRO 86 Cb 0.39 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 2hgu n PRO 86 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgu n GLU 87 N 3.81 -3.22 -0.00 0.54 -0.58 -1.26 -4.96 120.64 114.97 2hgu n GLU 87 Ca 0.56 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 57.32 2hgu n GLU 87 Cb 0.31 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.16 2hgu n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgu n GLY 88 N -0.32 0.45 3.39 0.62 0.00 -1.26 -4.65 105.19 103.42 2hgu n GLY 88 Ca 0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 2hgu n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hgu s ASP 89 N -1.62 -0.43 -0.23 1.61 3.68 -1.26 -3.55 116.67 114.87 2hgu s ASP 89 Ca 0.01 0.28 -0.09 0.00 2.13 0.00 0.00 52.55 54.88 2hgu s ASP 89 Cb 0.03 0.46 0.10 0.00 -1.45 0.00 0.00 42.92 42.06 2hgu s ASP 89 CO 0.15 -0.64 0.51 0.28 0.13 0.00 0.00 175.17 175.61 2hgu s THR 90 N -1.93 -0.60 -0.04 1.71 -1.32 -0.08 -4.93 115.64 108.45 2hgu s THR 90 Ca -0.08 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 2hgu s THR 90 Cb -0.01 -0.79 0.01 0.00 -1.51 0.00 0.00 72.50 70.19 2hgu s THR 90 CO 0.02 0.04 0.89 0.55 -2.21 0.00 0.00 174.62 173.91 2hgu n VAL 91 N 5.15 0.76 0.00 5.08 3.14 -1.26 -0.41 118.33 130.78 2hgu n VAL 91 Ca -0.13 -0.88 0.00 0.00 -2.96 0.00 0.00 64.34 60.37 2hgu n VAL 91 Cb 0.51 0.62 0.00 0.00 -1.06 0.00 0.00 33.84 33.91 2hgu n VAL 91 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2hgu n THR 92 N -0.34 0.00 0.00 1.55 -1.04 -1.26 -4.54 114.28 108.65 2hgu n THR 92 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hgu n THR 92 Cb 0.20 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 2hgu n THR 92 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2hgu n VAL 93 N -1.89 0.00 0.00 12.58 0.24 -1.26 0.25 118.33 128.26 2hgu n VAL 93 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2hgu n VAL 93 Cb 0.00 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 2hgu n VAL 93 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hgu n GLU 94 N 0.57 0.00 -0.14 7.34 -0.58 -1.26 -4.92 120.64 121.64 2hgu n GLU 94 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 2hgu n GLU 94 Cb 0.00 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.08 2hgu n GLU 94 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2hgu n ILE 95 N 0.00 -0.09 -3.69 -3.67 -0.00 0.14 -1.44 119.36 110.62 2hgu n ILE 95 Ca 0.00 0.57 -0.28 0.00 -0.00 0.00 0.00 62.75 63.05 2hgu n ILE 95 Cb 0.00 -0.94 -0.11 0.00 -0.00 0.00 0.00 39.64 38.59 2hgu n ILE 95 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 2hgu s PHE 96 N -4.18 2.45 -0.40 1.39 2.99 -1.01 -4.94 117.98 114.29 2hgu s PHE 96 Ca -0.02 -2.86 -0.39 0.00 0.00 0.00 0.00 56.93 53.66 2hgu s PHE 96 Cb 0.10 -1.94 -0.14 0.00 0.00 0.00 0.00 43.02 41.04 2hgu s PHE 96 CO 0.25 -0.68 2.14 1.17 -0.00 0.00 0.00 175.22 178.10 2hgu n LYS 97 N 2.48 0.69 -0.75 0.44 3.00 -0.52 -4.75 118.16 118.75 2hgu n LYS 97 Ca 0.22 0.19 -0.33 0.00 -0.00 0.00 0.00 58.31 58.40 2hgu n LYS 97 Cb 0.40 -2.09 0.14 0.00 0.00 0.00 0.00 35.03 33.48 2hgu n LYS 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2hgu n PRO 98 N 7.72 -0.90 -3.61 1.64 -0.04 -1.26 -3.28 135.00 135.28 2hgu n PRO 98 Ca 0.45 -0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 63.46 2hgu n PRO 98 Cb 0.12 -1.72 0.06 0.00 -0.04 0.00 0.00 33.50 31.92 2hgu n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgu n GLY 99 N 1.88 -0.39 3.38 0.55 0.00 -0.56 -4.94 105.19 105.12 2hgu n GLY 99 Ca 0.03 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2hgu n GLY 99 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hgu s GLU 100 N -5.90 1.46 -0.17 1.61 2.12 -1.21 -4.99 118.70 111.63 2hgu s GLU 100 Ca 0.20 -1.76 -0.04 0.00 0.36 0.00 0.00 54.97 53.73 2hgu s GLU 100 Cb -0.10 -0.81 -0.03 0.00 0.26 0.00 0.00 34.13 33.46 2hgu s GLU 100 CO 0.77 -0.08 -0.03 1.03 -0.54 0.00 0.00 175.26 176.41 2hgu s ARG 101 N -3.84 3.65 0.38 4.30 1.81 -1.26 -1.32 118.95 122.68 2hgu s ARG 101 Ca 0.31 -0.52 0.08 0.00 -1.72 0.00 0.00 55.73 53.87 2hgu s ARG 101 Cb 0.06 -2.97 -0.07 0.00 -0.45 0.00 0.00 34.95 31.52 2hgu s ARG 101 CO 0.11 0.17 -0.03 0.54 -0.68 0.00 0.00 175.30 175.41 2hgu s VAL 102 N 0.57 2.05 0.03 3.52 0.11 -0.23 -4.84 120.40 121.60 2hgu s VAL 102 Ca -0.02 -2.08 0.03 0.00 -2.93 0.00 0.00 61.98 56.98 2hgu s VAL 102 Cb -0.14 -2.86 -0.02 0.00 -1.53 0.00 0.00 36.38 31.83 2hgu s VAL 102 CO 0.02 -0.08 -0.09 -1.81 -3.33 0.00 0.00 175.10 169.81 2hgu s ASP 103 N -3.66 1.06 0.12 3.54 1.01 -0.26 -0.50 116.67 117.99 2hgu s ASP 103 Ca 0.34 -0.39 -0.18 0.00 0.71 0.00 0.00 52.55 53.03 2hgu s ASP 103 Cb 0.07 -0.04 0.05 0.00 1.01 0.00 0.00 42.92 44.00 2hgu s ASP 103 CO 0.17 -0.05 0.46 -0.69 0.21 0.00 0.00 175.17 175.28 2hgu s VAL 104 N -0.84 0.05 0.21 -1.27 1.01 -0.55 -1.34 120.40 117.67 2hgu s VAL 104 Ca -0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 2hgu s VAL 104 Cb -0.07 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.26 2hgu s VAL 104 CO 0.01 -0.22 0.65 0.28 0.00 0.00 0.00 175.10 175.82 2hgu s THR 105 N -3.63 0.00 -0.19 3.92 -1.32 -0.32 -0.80 115.64 113.29 2hgu s THR 105 Ca 0.01 -0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.02 2hgu s THR 105 Cb 0.01 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.53 2hgu s THR 105 CO -0.11 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 2hgu n GLY 106 N -0.41 -0.58 3.77 6.08 0.00 -0.23 -0.82 105.19 112.99 2hgu n GLY 106 Ca -0.11 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 2hgu n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hgu s THR 107 N -3.10 2.41 -0.58 2.61 2.01 -0.87 -1.39 115.64 116.73 2hgu s THR 107 Ca 0.00 0.37 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 2hgu s THR 107 Cb 0.00 -3.22 0.14 0.00 0.01 0.00 0.00 72.50 69.43 2hgu s THR 107 CO 0.00 0.06 0.54 -0.94 -0.69 0.00 0.00 174.62 173.59 2hgu s SER 108 N -0.57 6.26 0.00 3.53 1.04 0.46 -3.22 113.70 121.19 2hgu s SER 108 Ca 0.56 -1.94 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2hgu s SER 108 Cb -0.41 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2hgu s SER 108 CO 0.53 -0.80 0.00 0.29 0.98 0.00 0.00 173.24 174.24 2hgu n LYS 109 N 5.02 0.00 -1.34 4.02 5.02 -1.26 -3.66 118.16 125.95 2hgu n LYS 109 Ca -0.09 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.09 2hgu n LYS 109 Cb 0.41 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.34 2hgu n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hgu n GLY 110 N 0.00 -0.28 0.00 0.72 0.00 -1.22 -4.61 105.19 99.79 2hgu n GLY 110 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2hgu n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgu n ARG 111 N 6.88 0.00 0.00 1.61 3.00 -1.24 -4.48 116.66 122.43 2hgu n ARG 111 Ca 0.27 0.04 0.00 0.00 -0.01 0.00 0.00 57.85 58.16 2hgu n ARG 111 Cb 0.47 -0.45 0.00 0.00 0.00 0.00 0.00 32.46 32.48 2hgu n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgu n GLY 112 N -0.10 -0.69 2.29 -0.13 0.00 -1.25 -4.86 105.19 100.45 2hgu n GLY 112 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 2hgu n GLY 112 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hgu n PHE 113 N 0.08 0.67 -2.75 1.61 3.01 -1.26 -0.24 117.46 118.59 2hgu n PHE 113 Ca 0.00 -3.79 -0.43 0.00 1.01 0.00 0.00 57.45 54.24 2hgu n PHE 113 Cb 0.00 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 39.02 2hgu n PHE 113 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgu s ALA 114 N -2.25 3.49 0.79 4.37 0.00 -1.06 -3.92 121.76 123.18 2hgu s ALA 114 Ca 0.40 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 2hgu s ALA 114 Cb 0.29 -3.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.70 2hgu s ALA 114 CO -0.09 -1.43 -1.20 0.41 0.00 0.00 0.00 175.76 173.45 2hgu n GLY 115 N 4.04 -2.35 0.29 0.00 0.00 -1.26 -1.14 105.19 104.78 2hgu n GLY 115 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgu n GLY 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgu n VAL 116 N -2.83 -0.40 0.00 1.61 0.31 -1.26 -0.22 118.33 115.53 2hgu n VAL 116 Ca -0.02 1.79 0.00 0.00 -0.01 0.00 0.00 64.34 66.11 2hgu n VAL 116 Cb 0.58 -2.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 2hgu n VAL 116 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2hgu n MET 117 N -5.14 0.00 0.00 5.55 2.00 -1.26 -2.41 117.12 115.87 2hgu n MET 117 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 57.78 2hgu n MET 117 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.53 2hgu n MET 117 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2hgu h LYS 118 N 0.00 -0.01 0.00 0.03 3.11 -0.72 -3.38 116.57 115.60 2hgu h LYS 118 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2hgu h LYS 118 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2hgu h LYS 118 CO 0.00 -0.00 0.00 -2.13 -2.81 0.00 0.00 179.45 174.51 2hgu n ARG 119 N -2.11 0.00 -1.28 1.90 0.63 -0.29 -4.44 116.66 111.07 2hgu n ARG 119 Ca -0.00 0.05 -0.12 0.00 -0.92 0.00 0.00 57.85 56.85 2hgu n ARG 119 Cb 0.00 -0.09 0.08 0.00 0.45 0.00 0.00 32.46 32.90 2hgu n ARG 119 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 2hgu n TRP 120 N -0.71 -3.53 0.00 -0.14 4.27 -1.01 -5.09 117.44 111.24 2hgu n TRP 120 Ca 0.00 -0.73 0.00 0.00 -3.89 0.00 0.00 57.50 52.88 2hgu n TRP 120 Cb 0.00 -0.41 0.00 0.00 -1.36 0.00 0.00 31.31 29.54 2hgu n TRP 120 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 2hgu n ASN 121 N -3.15 0.00 0.00 -0.67 4.05 -1.26 -4.64 115.26 109.58 2hgu n ASN 121 Ca 0.08 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.11 2hgu n ASN 121 Cb 0.28 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.29 2hgu n ASN 121 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 2hgu n PHE 122 N 0.00 0.00 -0.92 1.20 3.72 -1.26 -4.56 117.46 115.64 2hgu n PHE 122 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 2hgu n PHE 122 Cb 0.00 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.61 2hgu n PHE 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hgu n ALA 123 N 0.00 -5.21 0.00 4.37 0.00 -1.26 -4.95 120.51 113.46 2hgu n ALA 123 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.25 2hgu n ALA 123 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2hgu n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 124 N 3.05 0.00 0.00 0.00 0.00 -1.26 -4.92 105.19 102.07 2hgu n GLY 124 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2hgu n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLY 125 N 0.00 2.83 0.00 -0.02 0.00 0.88 -4.69 105.19 104.19 2hgu n GLY 125 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2hgu n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgu n PRO 126 N 0.00 3.53 -3.11 1.61 -0.04 -1.24 -4.60 135.00 131.15 2hgu n PRO 126 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2hgu n PRO 126 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2hgu n PRO 126 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hgu s ASP 127 N -0.43 -1.18 0.00 3.54 -0.00 -1.26 -0.49 116.67 116.86 2hgu s ASP 127 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 52.55 52.40 2hgu s ASP 127 Cb 0.00 1.64 0.00 0.00 -0.00 0.00 0.00 42.92 44.56 2hgu s ASP 127 CO 0.00 -0.18 0.00 -1.54 -0.00 0.00 0.00 175.17 173.45 2hgu n SER 128 N 4.85 0.00 0.00 0.27 3.41 -1.26 -4.91 113.62 115.99 2hgu n SER 128 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2hgu n SER 128 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2hgu n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2hgu n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -3.97 115.22 125.57 2hgu n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2hgu n HIS 129 Cb 0.00 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.01 2hgu n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hgu n GLY 130 N -0.99 -1.80 2.06 -1.41 0.00 -1.26 -5.14 105.19 96.66 2hgu n GLY 130 Ca 0.00 0.68 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 2hgu n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgu n ALA 131 N 0.00 5.57 1.03 4.61 0.00 -1.25 -4.67 120.51 125.79 2hgu n ALA 131 Ca 0.00 -1.99 0.11 0.00 0.00 0.00 0.00 53.44 51.56 2hgu n ALA 131 Cb 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 19.45 17.81 2hgu n ALA 131 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2hgu n HIS 132 N 0.77 0.00 -0.43 0.00 1.44 -1.26 -3.41 115.22 112.33 2hgu n HIS 132 Ca 0.35 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.06 2hgu n HIS 132 Cb 0.59 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.66 2hgu n HIS 132 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2hgu n LYS 133 N -0.80 1.42 0.00 -1.40 0.00 -1.26 -5.13 118.16 110.99 2hgu n LYS 133 Ca 0.07 -0.97 0.00 0.00 0.00 0.00 0.00 58.31 57.41 2hgu n LYS 133 Cb 0.39 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.63 2hgu n LYS 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2hgu n ILE 134 N -0.25 0.00 0.00 3.15 5.41 -1.22 -4.31 119.36 122.14 2hgu n ILE 134 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2hgu n ILE 134 Cb 0.32 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 2hgu n ILE 134 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2hgu n HIS 135 N 0.00 0.00 -1.72 1.39 -0.00 0.35 -4.25 115.22 110.99 2hgu n HIS 135 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 2hgu n HIS 135 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 2hgu n HIS 135 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2hgu n ARG 136 N 0.00 1.40 -2.53 1.57 -4.01 -1.26 -0.08 116.66 111.75 2hgu n ARG 136 Ca 0.00 0.53 -0.02 0.00 -1.04 0.00 0.00 57.85 57.31 2hgu n ARG 136 Cb 0.00 -2.51 0.01 0.00 -3.04 0.00 0.00 32.46 26.92 2hgu n ARG 136 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 2hgu n HIS 137 N -1.41 -1.18 -3.89 2.89 8.25 -1.26 -4.50 115.22 114.12 2hgu n HIS 137 Ca 0.13 -0.71 -0.29 0.00 -0.26 0.00 0.00 57.72 56.59 2hgu n HIS 137 Cb 0.46 0.35 -0.16 0.00 1.12 0.00 0.00 29.99 31.76 2hgu n HIS 137 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2hgu s PRO 138 N -2.03 1.43 0.00 -0.41 0.04 -1.26 -3.99 135.00 128.78 2hgu s PRO 138 Ca 0.10 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.46 2hgu s PRO 138 Cb -0.02 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2hgu s PRO 138 CO 0.04 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2hgu n GLY 139 N 4.82 0.00 3.35 0.56 0.00 -1.26 -4.96 105.19 107.71 2hgu n GLY 139 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2hgu n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hgu s SER 140 N -2.84 3.34 -0.26 1.61 0.15 -1.26 -5.07 113.70 109.37 2hgu s SER 140 Ca 0.00 -0.40 0.13 0.00 0.70 0.00 0.00 55.95 56.38 2hgu s SER 140 Cb 0.00 -0.56 0.76 0.00 -1.71 0.00 0.00 66.02 64.51 2hgu s SER 140 CO 0.00 0.32 1.73 2.30 1.20 0.00 0.00 173.24 178.78 2hgu n ILE 141 N 2.48 2.77 0.00 6.45 -6.64 -1.26 -5.05 119.36 118.11 2hgu n ILE 141 Ca -0.17 -1.57 0.00 0.00 -1.77 0.00 0.00 62.75 59.24 2hgu n ILE 141 Cb 0.51 -0.30 0.00 0.00 -1.44 0.00 0.00 39.64 38.41 2hgu n ILE 141 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2hgu n GLY 142 N 0.20 0.72 0.00 3.28 0.00 -1.26 -2.08 105.19 106.06 2hgu n GLY 142 Ca 0.31 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2hgu n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hgu n ASN 143 N 0.00 0.00 -4.57 1.61 2.04 -0.59 -5.04 115.26 108.71 2hgu n ASN 143 Ca 0.00 0.00 -0.30 0.00 -0.44 0.00 0.00 54.58 53.84 2hgu n ASN 143 Cb 0.00 0.00 0.19 0.00 -2.53 0.00 0.00 39.78 37.44 2hgu n ASN 143 CO 0.00 0.00 0.00 -2.11 -0.44 0.00 0.00 177.26 174.71 2hgu n ARG 144 N -0.62 -1.08 0.00 -3.83 1.85 -1.26 -1.43 116.66 110.29 2hgu n ARG 144 Ca 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 57.85 56.59 2hgu n ARG 144 Cb 0.00 -2.24 0.00 0.00 -1.05 0.00 0.00 32.46 29.17 2hgu n ARG 144 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2hgu n LYS 145 N -4.15 0.00 -0.05 2.89 4.76 -1.26 -3.93 118.16 116.41 2hgu n LYS 145 Ca 0.08 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.46 2hgu n LYS 145 Cb 0.53 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.70 2hgu n LYS 145 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2hgu n THR 146 N 0.00 1.21 0.04 -0.18 -1.04 -1.26 -4.48 114.28 108.57 2hgu n THR 146 Ca 0.00 0.23 0.03 0.00 -2.04 0.00 0.00 64.05 62.27 2hgu n THR 146 Cb 0.00 -2.08 0.06 0.00 -1.82 0.00 0.00 70.33 66.49 2hgu n THR 146 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2hgu n PRO 147 N -3.99 1.74 -3.99 -2.82 -0.04 -1.25 -4.96 135.00 119.69 2hgu n PRO 147 Ca -0.10 -1.44 -0.29 0.00 -0.04 0.00 0.00 63.50 61.63 2hgu n PRO 147 Cb 0.35 -1.14 -0.00 0.00 -0.04 0.00 0.00 33.50 32.67 2hgu n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgu n GLY 148 N 0.17 -0.36 0.00 0.55 0.00 -1.24 -4.80 105.19 99.51 2hgu n GLY 148 Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2hgu n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgu n ARG 149 N -4.45 -1.12 -3.70 1.61 -4.01 -0.51 -4.80 116.66 99.68 2hgu n ARG 149 Ca -0.11 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.33 2hgu n ARG 149 Cb 0.59 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.95 2hgu n ARG 149 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 2hgu s VAL 150 N -3.00 5.30 0.48 8.89 1.01 -1.26 -1.54 120.40 130.29 2hgu s VAL 150 Ca 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 2hgu s VAL 150 Cb 0.00 -3.54 0.13 0.00 0.00 0.00 0.00 36.38 32.96 2hgu s VAL 150 CO 0.00 0.59 0.30 0.00 0.00 0.00 0.00 175.10 175.98 2hgu n TYR 151 N 2.04 -2.68 -0.11 5.22 -0.00 -0.88 -5.02 117.16 115.73 2hgu n TYR 151 Ca -0.17 -0.28 -0.16 0.00 -0.00 0.00 0.00 57.90 57.29 2hgu n TYR 151 Cb 0.54 -0.41 -0.10 0.00 -0.00 0.00 0.00 39.34 39.36 2hgu n TYR 151 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2hgu n LYS 152 N -3.21 0.56 -2.92 2.98 -0.00 -1.26 -4.90 118.16 109.40 2hgu n LYS 152 Ca 0.05 0.14 -0.13 0.00 -0.00 0.00 0.00 58.31 58.36 2hgu n LYS 152 Cb 0.20 -1.44 0.03 0.00 -0.00 0.00 0.00 35.03 33.82 2hgu n LYS 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgu n GLY 153 N 2.37 2.14 3.64 2.58 0.00 -1.26 -5.10 105.19 109.58 2hgu n GLY 153 Ca -0.40 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 2hgu n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hgu s LYS 154 N -1.44 2.75 0.14 1.61 0.00 -1.26 -5.09 119.74 116.45 2hgu s LYS 154 Ca 0.31 -0.60 -0.03 0.00 0.00 0.00 0.00 55.97 55.66 2hgu s LYS 154 Cb 0.35 -2.63 -0.02 0.00 0.00 0.00 0.00 37.83 35.53 2hgu s LYS 154 CO -0.05 0.64 -0.13 1.63 0.00 0.00 0.00 175.35 177.44 2hgu n LYS 155 N 1.69 0.00 0.00 1.78 4.76 -1.26 -4.96 118.16 120.17 2hgu n LYS 155 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2hgu n LYS 155 Cb 0.53 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 2hgu n LYS 155 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2hgu n MET 156 N 0.34 0.00 -0.10 1.97 1.56 -1.26 -5.09 117.12 114.54 2hgu n MET 156 Ca -0.00 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.40 2hgu n MET 156 Cb 0.08 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.45 2hgu n MET 156 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2hgu n ALA 157 N -0.00 -0.22 0.00 -5.12 0.00 -1.26 -4.86 120.51 109.05 2hgu n ALA 157 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2hgu n ALA 157 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 2hgu n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 158 N 0.36 0.54 1.37 0.00 0.00 -1.25 -4.84 105.19 101.37 2hgu n GLY 158 Ca -0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2hgu n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hgu n HIS 159 N 5.58 0.36 -2.80 1.61 -0.00 -1.25 -2.58 115.22 116.15 2hgu n HIS 159 Ca 0.00 0.24 -0.09 0.00 -0.00 0.00 0.00 57.72 57.87 2hgu n HIS 159 Cb 0.00 -0.95 0.03 0.00 -0.00 0.00 0.00 29.99 29.07 2hgu n HIS 159 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2hgu n TYR 160 N 3.62 -3.10 0.19 1.57 4.02 0.67 -4.94 117.16 119.19 2hgu n TYR 160 Ca 0.25 -1.90 0.00 0.00 -0.01 0.00 0.00 57.90 56.24 2hgu n TYR 160 Cb -0.00 1.35 0.00 0.00 -0.02 0.00 0.00 39.34 40.67 2hgu n TYR 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hgu n GLY 161 N 1.82 -1.41 3.48 2.72 0.00 -1.25 -3.91 105.19 106.64 2hgu n GLY 161 Ca 0.12 0.27 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 2hgu n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgu n ALA 162 N -3.33 0.95 -3.24 4.61 0.00 -1.26 -3.45 120.51 114.79 2hgu n ALA 162 Ca 0.00 -2.68 -0.09 0.00 0.00 0.00 0.00 53.44 50.67 2hgu n ALA 162 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 19.45 15.73 2hgu n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2hgu s GLU 163 N 7.07 1.47 0.10 0.00 -1.05 -1.24 -5.04 118.70 120.01 2hgu s GLU 163 Ca 0.70 -1.09 -0.01 0.00 -0.15 0.00 0.00 54.97 54.42 2hgu s GLU 163 Cb 0.12 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.26 2hgu s GLU 163 CO 0.30 -0.62 0.03 0.50 0.95 0.00 0.00 175.26 176.43 2hgu s ARG 164 N -3.95 0.81 0.10 -4.83 3.00 -1.26 -0.40 118.95 112.41 2hgu s ARG 164 Ca 0.16 -1.33 -0.23 0.00 -1.00 0.00 0.00 55.73 53.33 2hgu s ARG 164 Cb -0.01 0.24 0.08 0.00 0.00 0.00 0.00 34.95 35.26 2hgu s ARG 164 CO 0.04 -0.21 1.10 0.28 0.00 0.00 0.00 175.30 176.51 2hgu n VAL 165 N -0.02 0.00 -4.36 7.11 0.31 -0.48 -4.80 118.33 116.10 2hgu n VAL 165 Ca -0.09 -0.40 -0.23 0.00 -0.01 0.00 0.00 64.34 63.61 2hgu n VAL 165 Cb 0.63 0.68 -0.11 0.00 -0.91 0.00 0.00 33.84 34.12 2hgu n VAL 165 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2hgu s THR 166 N -2.05 1.96 -0.13 2.52 -1.32 -1.26 -1.07 115.64 114.28 2hgu s THR 166 Ca 0.25 -1.95 -0.03 0.00 -1.21 0.00 0.00 61.69 58.75 2hgu s THR 166 Cb -0.02 -1.92 -0.03 0.00 -1.51 0.00 0.00 72.50 69.03 2hgu s THR 166 CO 0.03 -0.27 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.45 2hgu s VAL 167 N -1.96 3.99 0.00 5.08 1.01 0.02 -4.99 120.40 123.55 2hgu s VAL 167 Ca 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2hgu s VAL 167 Cb -0.06 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2hgu s VAL 167 CO 0.08 0.52 0.00 0.23 0.00 0.00 0.00 175.10 175.93 2hgu n MET 168 N 3.13 1.52 -3.15 2.72 2.81 -1.26 -1.48 117.12 121.41 2hgu n MET 168 Ca -0.18 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.32 2hgu n MET 168 Cb 0.53 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.98 2hgu n MET 168 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2hgu s ASN 169 N -2.33 7.10 0.14 7.83 3.04 -1.26 -3.30 114.94 126.16 2hgu s ASN 169 Ca 0.00 1.31 -0.03 0.00 0.04 0.00 0.00 52.86 54.18 2hgu s ASN 169 Cb 0.00 -2.40 0.01 0.00 -1.54 0.00 0.00 41.25 37.32 2hgu s ASN 169 CO 0.00 0.15 0.24 0.00 -3.04 0.00 0.00 177.10 174.45 2hgu n LEU 170 N 2.29 0.00 -4.70 3.21 -0.00 0.35 -4.98 117.00 113.16 2hgu n LEU 170 Ca -0.07 -0.97 -0.42 0.00 -0.00 0.00 0.00 56.01 54.55 2hgu n LEU 170 Cb 0.50 1.18 -0.03 0.00 -0.00 0.00 0.00 43.42 45.07 2hgu n LEU 170 CO 0.44 -0.28 0.71 -0.70 -0.00 0.00 0.00 177.39 177.56 2hgu s GLU 171 N -2.14 4.52 -0.06 1.47 -6.30 -1.22 -1.07 118.70 113.89 2hgu s GLU 171 Ca 0.08 1.40 0.10 0.00 -2.50 0.00 0.00 54.97 54.05 2hgu s GLU 171 Cb -0.01 -3.49 0.39 0.00 0.00 0.00 0.00 34.13 31.03 2hgu s GLU 171 CO 0.06 -0.13 1.23 1.33 0.02 0.00 0.00 175.26 177.77 2hgu n VAL 172 N 4.10 0.99 0.00 3.70 0.24 -0.44 -3.87 118.33 123.06 2hgu n VAL 172 Ca 0.07 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 2hgu n VAL 172 Cb 0.50 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 2hgu n VAL 172 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2hgu n VAL 173 N 0.50 0.00 -3.75 3.34 0.24 -1.14 -3.56 118.33 113.96 2hgu n VAL 173 Ca 0.14 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.31 2hgu n VAL 173 Cb 0.54 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.82 2hgu n VAL 173 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hgu s ASP 174 N 0.00 -0.25 -0.22 -1.34 2.15 -0.38 -1.49 116.67 115.14 2hgu s ASP 174 Ca 0.00 0.25 -0.04 0.00 0.43 0.00 0.00 52.55 53.19 2hgu s ASP 174 Cb 0.00 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 43.03 2hgu s ASP 174 CO 0.00 -0.38 -0.03 0.68 -0.17 0.00 0.00 175.17 175.27 2hgu s VAL 175 N -0.98 3.47 -0.64 1.11 -7.23 -1.26 -0.97 120.40 113.89 2hgu s VAL 175 Ca -0.10 -0.46 -0.15 0.00 -1.81 0.00 0.00 61.98 59.46 2hgu s VAL 175 Cb -0.04 -2.58 0.16 0.00 0.56 0.00 0.00 36.38 34.48 2hgu s VAL 175 CO 0.04 0.41 0.59 -0.51 -0.31 0.00 0.00 175.10 175.32 2hgu s ILE 176 N 1.49 5.27 0.58 -0.62 -1.16 -0.06 -4.94 121.20 121.76 2hgu s ILE 176 Ca 0.06 -1.88 0.27 0.00 -0.51 0.00 0.00 60.65 58.59 2hgu s ILE 176 Cb -0.14 -4.34 0.36 0.00 0.61 0.00 0.00 42.46 38.95 2hgu s ILE 176 CO -0.03 -0.92 2.07 1.55 -2.81 0.00 0.00 174.94 174.80 2hgu h PRO 177 N 8.44 0.00 0.00 3.50 0.13 -1.92 -1.57 132.00 140.59 2hgu h PRO 177 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2hgu h PRO 177 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2hgu h PRO 177 CO 0.92 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.08 2hgu n GLU 178 N -3.93 0.00 -1.14 0.86 4.71 -1.26 -4.32 120.64 115.56 2hgu n GLU 178 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.08 2hgu n GLU 178 Cb 0.39 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.70 2hgu n GLU 178 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2hgu n GLU 179 N 0.00 0.00 -0.80 3.49 -0.58 -1.26 -4.32 120.64 117.17 2hgu n GLU 179 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 2hgu n GLU 179 Cb 0.00 -0.89 -0.04 0.00 -0.57 0.00 0.00 31.44 29.94 2hgu n GLU 179 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2hgu n ASN 180 N 4.51 -1.36 -4.09 1.62 5.03 -1.25 -4.78 115.26 114.93 2hgu n ASN 180 Ca 0.33 -0.88 -0.13 0.00 0.87 0.00 0.00 54.58 54.77 2hgu n ASN 180 Cb 0.27 -0.42 -0.11 0.00 -1.02 0.00 0.00 39.78 38.50 2hgu n ASN 180 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2hgu s LEU 181 N 0.00 2.32 -0.05 3.41 1.43 -0.59 -1.07 118.68 124.13 2hgu s LEU 181 Ca 0.21 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2hgu s LEU 181 Cb -0.14 -0.16 0.01 0.00 0.03 0.00 0.00 46.19 45.94 2hgu s LEU 181 CO 0.09 -0.26 -0.09 -0.22 0.23 0.00 0.00 176.35 176.11 2hgu s LEU 182 N -1.92 1.58 -0.22 1.79 0.20 0.09 -0.88 118.68 119.32 2hgu s LEU 182 Ca -0.05 -0.21 -0.08 0.00 0.69 0.00 0.00 54.13 54.49 2hgu s LEU 182 Cb -0.07 -0.63 -0.04 0.00 -0.43 0.00 0.00 46.19 45.03 2hgu s LEU 182 CO -0.01 0.01 0.08 -0.76 -0.29 0.00 0.00 176.35 175.38 2hgu s LEU 183 N 0.61 3.68 -0.04 -0.68 2.01 -0.15 -0.88 118.68 123.23 2hgu s LEU 183 Ca -0.11 -0.05 0.04 0.00 0.01 0.00 0.00 54.13 54.02 2hgu s LEU 183 Cb -0.13 -1.96 -0.06 0.00 0.01 0.00 0.00 46.19 44.05 2hgu s LEU 183 CO 0.02 0.07 0.03 1.33 1.01 0.00 0.00 176.35 178.80 2hgu n VAL 184 N 4.26 0.24 -2.53 -1.59 0.24 -0.23 -1.24 118.33 117.48 2hgu n VAL 184 Ca -0.16 -0.17 -0.02 0.00 -2.04 0.00 0.00 64.34 61.95 2hgu n VAL 184 Cb 0.52 -0.67 0.01 0.00 -1.47 0.00 0.00 33.84 32.22 2hgu n VAL 184 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2hgu n LYS 185 N -2.07 -0.70 -4.42 7.34 0.00 -1.26 -3.39 118.16 113.66 2hgu n LYS 185 Ca -0.06 0.08 -0.30 0.00 0.00 0.00 0.00 58.31 58.03 2hgu n LYS 185 Cb 0.55 -2.96 -0.05 0.00 0.00 0.00 0.00 35.03 32.57 2hgu n LYS 185 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2hgu s GLY 186 N -3.01 2.76 0.00 3.14 0.00 -1.26 -4.75 107.32 104.20 2hgu s GLY 186 Ca 0.05 -0.77 0.10 0.00 0.00 0.00 0.00 44.72 44.10 2hgu s GLY 186 CO 0.06 -2.10 1.01 0.00 0.00 0.00 0.00 173.10 172.08 2hgu n ALA 187 N -1.44 1.86 -1.95 3.20 0.00 -1.26 -4.64 120.51 116.27 2hgu n ALA 187 Ca -0.12 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 2hgu n ALA 187 Cb 0.66 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 2hgu n ALA 187 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgu n VAL 188 N -1.00 -0.39 0.00 0.00 0.31 -1.26 -4.29 118.33 111.71 2hgu n VAL 188 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2hgu n VAL 188 Cb 0.03 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 2hgu n VAL 188 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2hgu n PRO 189 N -2.48 0.00 -0.19 5.55 -0.04 -1.26 -4.22 135.00 132.35 2hgu n PRO 189 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2hgu n PRO 189 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 2hgu n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgu n GLY 190 N 0.00 0.84 0.82 0.55 0.00 -1.22 -3.50 105.19 102.68 2hgu n GLY 190 Ca 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 2hgu n GLY 190 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgu n PRO 191 N -1.92 0.94 -4.51 1.61 -0.02 -1.20 -4.81 135.00 125.09 2hgu n PRO 191 Ca 0.00 -0.09 -0.25 0.00 -2.02 0.00 0.00 63.50 61.14 2hgu n PRO 191 Cb 0.00 -0.35 -0.09 0.00 -0.02 0.00 0.00 33.50 33.04 2hgu n PRO 191 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hgu s ASN 192 N -1.29 2.73 -0.78 2.55 4.22 -1.26 -4.79 114.94 116.31 2hgu s ASN 192 Ca 0.04 -1.58 -0.02 0.00 -2.14 0.00 0.00 52.86 49.17 2hgu s ASN 192 Cb -0.01 0.32 0.00 0.00 1.28 0.00 0.00 41.25 42.84 2hgu s ASN 192 CO 0.04 -0.82 0.63 0.61 -2.04 0.00 0.00 177.10 175.51 2hgu n GLY 193 N -0.86 -1.23 0.00 0.45 0.00 0.90 -4.84 105.19 99.61 2hgu n GLY 193 Ca -0.06 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2hgu n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLY 194 N -1.59 -0.82 3.05 -0.02 0.00 -0.29 -4.98 105.19 100.53 2hgu n GLY 194 Ca -0.23 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 2hgu n GLY 194 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hgu s LEU 195 N 0.00 2.18 0.35 0.99 1.98 -1.26 -0.73 118.68 122.18 2hgu s LEU 195 Ca 0.00 -0.41 -0.17 0.00 -2.89 0.00 0.00 54.13 50.66 2hgu s LEU 195 Cb 0.00 -0.27 0.06 0.00 0.66 0.00 0.00 46.19 46.64 2hgu s LEU 195 CO 0.00 -0.09 0.86 -0.69 -1.89 0.00 0.00 176.35 174.54 2hgu s VAL 196 N -0.95 0.00 0.20 1.68 1.01 -0.31 -2.05 120.40 119.97 2hgu s VAL 196 Ca -0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 2hgu s VAL 196 Cb -0.07 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2hgu s VAL 196 CO 0.00 0.00 0.20 -0.63 0.00 0.00 0.00 175.10 174.67 2hgu s ILE 197 N -2.12 0.01 -0.03 2.22 1.09 0.00 -0.87 121.20 121.51 2hgu s ILE 197 Ca 0.18 -1.86 0.05 0.00 -1.10 0.00 0.00 60.65 57.92 2hgu s ILE 197 Cb -0.05 -2.39 -0.01 0.00 -1.06 0.00 0.00 42.46 38.96 2hgu s ILE 197 CO 0.10 -0.04 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.02 2hgu s VAL 198 N -4.12 1.49 0.02 2.92 1.01 0.02 -1.18 120.40 120.56 2hgu s VAL 198 Ca 0.34 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 2hgu s VAL 198 Cb 0.05 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.20 2hgu s VAL 198 CO 0.10 0.42 0.26 -0.13 0.00 0.00 0.00 175.10 175.76 2hgu s ARG 199 N -0.26 0.70 -0.53 2.72 3.00 -0.45 -0.67 118.95 123.46 2hgu s ARG 199 Ca 0.03 -0.42 0.07 0.00 0.00 0.00 0.00 55.73 55.41 2hgu s ARG 199 Cb -0.09 0.30 0.28 0.00 0.00 0.00 0.00 34.95 35.44 2hgu s ARG 199 CO 0.00 -0.21 0.73 0.39 0.00 0.00 0.00 175.30 176.22 2hgu n GLU 200 N 0.93 2.04 -2.46 3.54 -0.58 -0.42 -1.10 120.64 122.59 2hgu n GLU 200 Ca -0.20 -4.20 -0.42 0.00 -0.42 0.00 0.00 57.16 51.92 2hgu n GLU 200 Cb 0.58 -1.93 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 2hgu n GLU 200 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2hgu s THR 201 N -2.56 3.97 0.00 2.62 2.01 -1.26 -4.93 115.64 115.50 2hgu s THR 201 Ca 0.41 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.93 2hgu s THR 201 Cb 0.20 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.74 2hgu s THR 201 CO -0.07 0.18 0.00 2.29 -0.69 0.00 0.00 174.62 176.33 2hgu n LYS 202 N 3.29 0.00 0.00 4.92 0.00 -1.26 -4.85 118.16 120.26 2hgu n LYS 202 Ca 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.43 2hgu n LYS 202 Cb 0.46 0.00 0.36 0.00 -0.00 0.00 0.00 35.03 35.85 2hgu n LYS 202 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2hgu n LYS 203 N 0.00 0.99 -1.15 -1.58 0.00 -1.26 -4.84 118.16 110.31 2hgu n LYS 203 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.11 2hgu n LYS 203 Cb 0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 35.03 33.68 2hgu n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2hgu n ALA 204 N -0.69 0.72 -2.85 3.14 0.00 -1.26 -4.89 120.51 114.68 2hgu n ALA 204 Ca 0.09 -0.53 -0.44 0.00 0.00 0.00 0.00 53.44 52.56 2hgu n ALA 204 Cb 0.04 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2hgu n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgu n ALA 205 N 5.12 4.66 0.00 0.00 0.00 -1.26 -5.28 120.51 123.76 2hgu n ALA 205 Ca 0.52 -4.47 0.00 0.00 0.00 0.00 0.00 53.44 49.49 2hgu n ALA 205 Cb 0.09 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.77 2hgu n ALA 205 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67