#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hm9 s ALA 2 N 0.00 1.31 -0.27 2.41 0.00 0.24 -3.02 121.76 122.42 2hm9 s ALA 2 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 2hm9 s ALA 2 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2hm9 s ALA 2 CO 0.00 0.24 0.12 -0.06 0.00 0.00 0.00 175.76 176.06 2hm9 s PHE 3 N -1.01 3.14 -0.22 0.00 0.40 0.47 0.55 117.98 121.31 2hm9 s PHE 3 Ca 0.02 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 2hm9 s PHE 3 Cb -0.09 -2.30 0.04 0.00 0.51 0.00 0.00 43.02 41.18 2hm9 s PHE 3 CO 0.02 -0.33 -0.14 -1.17 0.70 0.00 0.00 175.22 174.30 2hm9 s LEU 4 N 1.65 2.84 0.19 -0.37 2.96 -1.06 0.14 118.68 125.03 2hm9 s LEU 4 Ca 0.06 -1.07 -0.18 0.00 -0.22 0.00 0.00 54.13 52.72 2hm9 s LEU 4 Cb -0.16 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.07 2hm9 s LEU 4 CO 0.06 -0.11 0.53 -1.66 -1.32 0.00 0.00 176.35 173.85 2hm9 s TRP 5 N 1.20 -0.17 -0.04 5.38 -2.14 -1.11 -4.45 118.94 117.62 2hm9 s TRP 5 Ca -0.03 -0.16 0.04 0.00 2.66 0.00 0.00 56.10 58.61 2hm9 s TRP 5 Cb -0.17 0.41 -0.00 0.00 -3.10 0.00 0.00 33.47 30.61 2hm9 s TRP 5 CO -0.08 -0.91 -0.16 0.00 -2.66 0.00 0.00 176.95 173.13 2hm9 s ALA 6 N -3.86 1.45 0.04 2.67 0.00 -1.26 -2.34 121.76 118.47 2hm9 s ALA 6 Ca 0.08 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 2hm9 s ALA 6 Cb -0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2hm9 s ALA 6 CO -0.04 0.27 0.04 1.14 0.00 0.00 0.00 175.76 177.17 2hm9 s GLN 7 N 0.01 0.56 0.86 0.00 -2.07 0.12 -4.61 119.66 114.53 2hm9 s GLN 7 Ca -0.03 -0.88 -0.09 0.00 -1.82 0.00 0.00 55.36 52.55 2hm9 s GLN 7 Cb -0.11 0.21 0.17 0.00 -1.09 0.00 0.00 33.01 32.19 2hm9 s GLN 7 CO 0.02 -0.13 1.18 0.16 -1.32 0.00 0.00 175.29 175.20 2hm9 s ASP 8 N -2.29 3.65 0.19 12.60 -4.77 -0.91 -2.79 116.67 122.35 2hm9 s ASP 8 Ca -0.03 -0.04 -0.12 0.00 -3.30 0.00 0.00 52.55 49.06 2hm9 s ASP 8 Cb 0.00 -0.14 0.12 0.00 -1.09 0.00 0.00 42.92 41.81 2hm9 s ASP 8 CO -0.06 -2.35 1.84 0.08 0.70 0.00 0.00 175.17 175.38 2hm9 h ARG 9 N -1.14 0.89 -0.61 2.11 0.11 -1.71 -2.79 114.38 111.24 2hm9 h ARG 9 Ca -0.40 -0.07 0.01 0.00 0.10 0.00 0.00 59.98 59.62 2hm9 h ARG 9 Cb 1.25 -0.19 -0.03 0.00 1.11 0.00 0.00 29.97 32.10 2hm9 h ARG 9 CO 0.38 0.61 0.40 -0.44 0.10 0.00 0.00 179.97 181.03 2hm9 h ASP 10 N 0.90 0.68 0.00 0.08 3.32 -1.90 -3.47 116.42 116.03 2hm9 h ASP 10 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2hm9 h ASP 10 Cb -0.06 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2hm9 h ASP 10 CO -0.05 0.49 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 2hm9 n GLY 11 N -1.27 0.14 3.81 2.75 0.00 -1.05 -5.13 105.19 104.44 2hm9 n GLY 11 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2hm9 n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hm9 s LEU 12 N 0.00 4.36 -0.10 0.99 2.96 -1.26 -3.27 118.68 122.37 2hm9 s LEU 12 Ca 0.00 1.43 0.08 0.00 -0.22 0.00 0.00 54.13 55.41 2hm9 s LEU 12 Cb 0.00 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.91 2hm9 s LEU 12 CO 0.00 0.05 0.45 2.30 -1.32 0.00 0.00 176.35 177.84 2hm9 n ILE 13 N 0.81 1.62 0.00 6.68 -5.35 -1.15 -2.14 119.36 119.83 2hm9 n ILE 13 Ca -0.03 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 2hm9 n ILE 13 Cb 0.51 -1.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.24 2hm9 n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hm9 n GLY 14 N 1.74 -0.52 2.78 3.28 0.00 -1.17 -4.64 105.19 106.65 2hm9 n GLY 14 Ca -0.25 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 2hm9 n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hm9 s LYS 15 N -1.67 0.66 -1.74 1.61 2.20 -1.05 -2.19 119.74 117.55 2hm9 s LYS 15 Ca 0.00 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 2hm9 s LYS 15 Cb 0.00 -1.04 0.00 0.00 -1.51 0.00 0.00 37.83 35.28 2hm9 s LYS 15 CO 0.00 -0.31 0.00 -0.25 -0.36 0.00 0.00 175.35 174.43 2hm9 n ASP 16 N 5.13 -5.14 0.00 1.43 9.92 -1.26 -2.28 116.55 124.35 2hm9 n ASP 16 Ca -0.07 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2hm9 n ASP 16 Cb 0.50 -4.21 0.00 0.00 -0.64 0.00 0.00 41.12 36.77 2hm9 n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hm9 n GLY 17 N -0.88 2.50 3.72 0.44 0.00 -1.26 -4.88 105.19 104.82 2hm9 n GLY 17 Ca -0.19 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2hm9 n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2hm9 s HIS 18 N -1.10 3.41 -0.29 1.61 -3.43 -0.97 -4.84 115.29 109.69 2hm9 s HIS 18 Ca 0.00 1.31 -0.28 0.00 -0.80 0.00 0.00 55.06 55.29 2hm9 s HIS 18 Cb 0.00 -3.46 -0.04 0.00 -1.43 0.00 0.00 32.58 27.66 2hm9 s HIS 18 CO 0.00 -1.38 2.04 -0.51 -2.00 0.00 0.00 174.74 172.88 2hm9 s LEU 19 N 0.52 3.46 0.35 5.38 1.43 -1.26 -2.54 118.68 126.02 2hm9 s LEU 19 Ca 0.57 1.57 0.17 0.00 -1.03 0.00 0.00 54.13 55.40 2hm9 s LEU 19 Cb -0.32 -3.45 0.62 0.00 0.03 0.00 0.00 46.19 43.07 2hm9 s LEU 19 CO 0.32 -1.90 1.72 1.55 0.23 0.00 0.00 176.35 178.27 2hm9 h PRO 20 N 14.29 0.00 -6.57 1.29 0.13 -1.89 -3.44 132.00 135.81 2hm9 h PRO 20 Ca -0.37 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.25 2hm9 h PRO 20 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2hm9 h PRO 20 CO 1.00 0.43 0.35 1.67 -0.23 0.00 0.00 178.00 181.22 2hm9 s TRP 21 N -3.66 3.82 -0.93 1.56 -2.14 -1.26 -4.99 118.94 111.34 2hm9 s TRP 21 Ca -0.01 1.80 -0.16 0.00 2.66 0.00 0.00 56.10 60.39 2hm9 s TRP 21 Cb 0.12 -3.04 0.18 0.00 -3.10 0.00 0.00 33.47 27.62 2hm9 s TRP 21 CO 0.71 0.23 1.03 -1.58 -2.66 0.00 0.00 176.95 174.67 2hm9 s HIS 22 N -0.09 3.48 -0.58 1.66 2.46 -1.26 -4.91 115.29 116.05 2hm9 s HIS 22 Ca 0.46 -1.78 0.05 0.00 0.47 0.00 0.00 55.06 54.26 2hm9 s HIS 22 Cb -0.23 -4.09 0.18 0.00 -0.13 0.00 0.00 32.58 28.31 2hm9 s HIS 22 CO 0.30 -1.26 0.47 -0.11 -2.47 0.00 0.00 174.74 171.67 2hm9 n LEU 23 N 5.24 1.74 -0.42 8.88 7.94 -1.26 -4.96 117.00 134.17 2hm9 n LEU 23 Ca 0.22 -4.92 0.37 0.00 -1.11 0.00 0.00 56.01 50.56 2hm9 n LEU 23 Cb 0.47 -0.22 0.71 0.00 0.53 0.00 0.00 43.42 44.91 2hm9 n LEU 23 CO 0.45 1.84 1.33 1.55 -1.11 0.00 0.00 177.39 181.45 2hm9 h PRO 24 N 5.25 0.07 0.59 1.96 0.13 -1.98 -1.14 132.00 136.88 2hm9 h PRO 24 Ca 0.19 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 2hm9 h PRO 24 Cb 0.80 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2hm9 h PRO 24 CO 0.60 0.05 -0.47 0.22 -0.23 0.00 0.00 178.00 178.17 2hm9 h ASP 25 N 0.07 -1.23 -0.33 1.44 1.82 -1.96 0.79 116.42 117.02 2hm9 h ASP 25 Ca 0.68 0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 57.34 2hm9 h ASP 25 Cb 2.50 0.39 -0.02 0.00 0.68 0.00 0.00 39.33 42.88 2hm9 h ASP 25 CO -0.11 -0.66 -0.02 -0.78 -1.61 0.00 0.00 179.24 176.05 2hm9 h ASP 26 N -1.03 0.67 -0.62 2.28 1.82 -1.61 -2.20 116.42 115.73 2hm9 h ASP 26 Ca -0.07 -0.16 -0.04 0.00 -0.39 0.00 0.00 57.03 56.37 2hm9 h ASP 26 Cb 0.86 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.67 2hm9 h ASP 26 CO 0.00 0.76 0.23 -0.07 -1.61 0.00 0.00 179.24 178.55 2hm9 h LEU 27 N 0.66 0.88 -0.94 2.28 3.38 -1.00 -2.10 115.31 118.46 2hm9 h LEU 27 Ca 0.13 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2hm9 h LEU 27 Cb 0.44 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2hm9 h LEU 27 CO 0.02 0.82 0.62 0.45 0.09 0.00 0.00 178.44 180.44 2hm9 h HIS 28 N 0.88 1.17 -0.36 1.13 3.86 0.92 -1.63 115.15 121.12 2hm9 h HIS 28 Ca 0.21 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2hm9 h HIS 28 Cb 0.23 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 2hm9 h HIS 28 CO 0.01 0.71 0.24 -0.92 0.86 0.00 0.00 177.93 178.84 2hm9 h TYR 29 N 1.24 0.45 -0.37 2.45 3.20 -0.87 0.65 116.97 123.72 2hm9 h TYR 29 Ca 0.36 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 2hm9 h TYR 29 Cb -0.09 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 2hm9 h TYR 29 CO -0.01 0.28 0.22 0.35 -1.64 0.00 0.00 178.16 177.36 2hm9 h PHE 30 N 0.48 0.49 -0.62 -3.82 3.57 -0.75 -1.54 116.94 114.75 2hm9 h PHE 30 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2hm9 h PHE 30 Cb -0.05 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 2hm9 h PHE 30 CO -0.05 0.35 0.34 -0.09 -2.23 0.00 0.00 178.31 176.63 2hm9 h ARG 31 N 0.48 0.86 -0.65 1.11 2.43 -1.03 -2.44 114.38 115.14 2hm9 h ARG 31 Ca 0.13 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2hm9 h ARG 31 Cb 0.01 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 2hm9 h ARG 31 CO -0.02 0.66 0.15 0.00 -1.51 0.00 0.00 179.97 179.24 2hm9 h ALA 32 N 1.16 1.04 -0.14 2.80 0.00 -0.66 -2.71 119.26 120.75 2hm9 h ALA 32 Ca 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2hm9 h ALA 32 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2hm9 h ALA 32 CO -0.03 0.63 -0.19 1.96 0.00 0.00 0.00 179.25 181.62 2hm9 h GLN 33 N 0.98 0.24 -0.07 0.00 1.08 -1.02 -2.33 115.11 113.99 2hm9 h GLN 33 Ca 0.21 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2hm9 h GLN 33 Cb 0.35 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2hm9 h GLN 33 CO 0.00 0.43 0.00 0.25 -0.95 0.00 0.00 178.83 178.56 2hm9 n THR 34 N -4.22 0.10 -3.08 -0.54 -2.24 -0.94 -4.63 114.28 98.73 2hm9 n THR 34 Ca -0.01 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 2hm9 n THR 34 Cb 0.31 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 2hm9 n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2hm9 s VAL 35 N -1.90 4.96 -0.11 2.28 -7.23 -0.88 -3.65 120.40 113.87 2hm9 s VAL 35 Ca 0.21 1.15 0.00 0.00 -1.81 0.00 0.00 61.98 61.54 2hm9 s VAL 35 Cb 0.11 -3.97 0.00 0.00 0.56 0.00 0.00 36.38 33.08 2hm9 s VAL 35 CO 0.17 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 2hm9 n GLY 36 N 4.14 0.49 3.10 2.32 0.00 -1.21 -5.02 105.19 109.01 2hm9 n GLY 36 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2hm9 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hm9 s LYS 37 N -1.16 0.62 0.02 1.61 3.01 -1.24 -4.72 119.74 117.88 2hm9 s LYS 37 Ca 0.00 -0.92 -0.30 0.00 -1.01 0.00 0.00 55.97 53.73 2hm9 s LYS 37 Cb 0.00 -0.29 -0.04 0.00 -1.01 0.00 0.00 37.83 36.49 2hm9 s LYS 37 CO 0.00 0.04 1.09 0.42 0.51 0.00 0.00 175.35 177.41 2hm9 s ILE 38 N -1.99 4.45 0.03 2.17 1.01 0.28 -4.08 121.20 123.08 2hm9 s ILE 38 Ca -0.04 1.76 0.05 0.00 0.00 0.00 0.00 60.65 62.42 2hm9 s ILE 38 Cb -0.06 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 2hm9 s ILE 38 CO -0.01 0.12 -0.14 -0.32 0.00 0.00 0.00 174.94 174.59 2hm9 s MET 39 N 1.15 0.97 -0.08 2.79 -2.45 -1.01 0.79 119.30 121.46 2hm9 s MET 39 Ca 0.55 -0.72 0.04 0.00 -1.25 0.00 0.00 55.69 54.31 2hm9 s MET 39 Cb -0.25 -0.97 0.00 0.00 1.25 0.00 0.00 34.83 34.86 2hm9 s MET 39 CO 0.28 0.24 -0.20 0.08 1.05 0.00 0.00 175.02 176.47 2hm9 s VAL 40 N -0.77 1.76 0.12 10.11 1.01 0.99 -0.23 120.40 133.38 2hm9 s VAL 40 Ca 0.02 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.20 2hm9 s VAL 40 Cb -0.07 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2hm9 s VAL 40 CO 0.01 0.49 -0.14 0.68 0.00 0.00 0.00 175.10 176.14 2hm9 s VAL 41 N 0.33 1.33 0.84 2.92 -7.23 0.77 0.88 120.40 120.24 2hm9 s VAL 41 Ca -0.14 -1.73 -0.09 0.00 -1.81 0.00 0.00 61.98 58.21 2hm9 s VAL 41 Cb -0.16 -1.55 0.16 0.00 0.56 0.00 0.00 36.38 35.39 2hm9 s VAL 41 CO 0.06 -0.43 1.16 -0.83 -0.31 0.00 0.00 175.10 174.76 2hm9 s GLY 42 N -2.48 1.77 0.17 2.32 0.00 0.31 0.72 107.32 110.14 2hm9 s GLY 42 Ca 0.09 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.25 2hm9 s GLY 42 CO 0.03 -0.77 1.80 3.21 0.00 0.00 0.00 173.10 177.37 2hm9 h ARG 43 N -1.09 0.79 -0.57 2.90 3.08 -1.89 -1.59 114.38 116.00 2hm9 h ARG 43 Ca -0.41 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 2hm9 h ARG 43 Cb 1.25 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 2hm9 h ARG 43 CO 0.40 0.59 0.32 0.00 -1.07 0.00 0.00 179.97 180.20 2hm9 h ARG 44 N 0.77 0.78 -0.35 0.04 -0.00 -1.94 -2.11 114.38 111.58 2hm9 h ARG 44 Ca 0.20 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.98 59.59 2hm9 h ARG 44 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 29.97 29.81 2hm9 h ARG 44 CO -0.04 0.57 0.13 1.15 0.00 0.00 0.00 179.97 181.79 2hm9 h THR 45 N 0.79 1.19 -0.61 2.04 2.02 -1.71 -2.05 112.91 114.59 2hm9 h THR 45 Ca 0.20 -0.61 0.12 0.00 0.77 0.00 0.00 66.41 66.90 2hm9 h THR 45 Cb 0.01 0.94 -0.12 0.00 -1.74 0.00 0.00 68.15 67.25 2hm9 h THR 45 CO -0.03 0.21 -0.16 0.22 0.37 0.00 0.00 175.52 176.13 2hm9 h TYR 46 N 0.41 -0.35 0.00 3.16 3.20 -0.60 0.86 116.97 123.65 2hm9 h TYR 46 Ca 0.11 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2hm9 h TYR 46 Cb 0.21 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2hm9 h TYR 46 CO 0.00 -0.27 0.00 0.93 -1.64 0.00 0.00 178.16 177.18 2hm9 h GLU 47 N -0.01 0.00 0.00 1.82 5.08 -1.45 -3.25 114.58 116.77 2hm9 h GLU 47 Ca 0.29 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.36 2hm9 h GLU 47 Cb 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2hm9 h GLU 47 CO -0.63 0.00 -1.72 0.45 -1.00 0.00 0.00 179.01 176.11 2hm9 n SER 48 N -2.92 0.83 -4.47 1.42 2.88 0.58 -4.95 113.62 107.00 2hm9 n SER 48 Ca 0.03 0.40 -0.35 0.00 -1.33 0.00 0.00 58.87 57.61 2hm9 n SER 48 Cb 0.42 -0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.96 2hm9 n SER 48 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2hm9 n PHE 49 N -3.02 -0.84 0.35 0.66 7.35 0.27 -4.95 117.46 117.28 2hm9 n PHE 49 Ca -0.17 0.32 -0.14 0.00 -0.76 0.00 0.00 57.45 56.70 2hm9 n PHE 49 Cb 1.04 -1.90 -0.07 0.00 0.35 0.00 0.00 39.48 38.91 2hm9 n PHE 49 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 2hm9 h PRO 50 N -0.66 -0.88 -1.95 -7.13 0.11 -1.90 -3.47 132.00 116.11 2hm9 h PRO 50 Ca -0.45 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2hm9 h PRO 50 Cb 1.33 0.20 -0.22 0.00 0.11 0.00 0.00 31.00 32.42 2hm9 h PRO 50 CO 0.41 -0.59 0.11 0.21 -0.21 0.00 0.00 178.00 177.93 2hm9 s LYS 51 N -4.67 0.73 0.14 1.05 2.20 -1.26 -5.18 119.74 112.76 2hm9 s LYS 51 Ca -0.13 1.07 0.09 0.00 -0.36 0.00 0.00 55.97 56.63 2hm9 s LYS 51 Cb 0.01 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 2hm9 s LYS 51 CO 0.40 -0.12 -0.20 1.03 -0.36 0.00 0.00 175.35 176.10 2hm9 s ARG 52 N 1.02 1.25 0.55 4.03 0.52 -1.26 -4.31 118.95 120.74 2hm9 s ARG 52 Ca -0.05 -1.33 -0.06 0.00 -0.52 0.00 0.00 55.73 53.76 2hm9 s ARG 52 Cb -0.05 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 33.99 2hm9 s ARG 52 CO -0.10 0.31 0.87 -1.25 0.02 0.00 0.00 175.30 175.14 2hm9 s PRO 53 N -2.45 3.31 0.44 3.54 0.04 -1.26 -4.80 135.00 133.82 2hm9 s PRO 53 Ca 0.13 0.21 -0.22 0.00 0.04 0.00 0.00 61.00 61.16 2hm9 s PRO 53 Cb -0.08 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 2hm9 s PRO 53 CO 0.06 -0.45 1.02 -0.51 0.04 0.00 0.00 177.00 177.16 2hm9 s LEU 54 N -4.91 3.97 -0.07 -3.56 1.43 -1.26 -5.00 118.68 109.29 2hm9 s LEU 54 Ca 0.51 1.92 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 2hm9 s LEU 54 Cb -0.10 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 2hm9 s LEU 54 CO 0.46 -0.59 1.23 -2.16 0.23 0.00 0.00 176.35 175.53 2hm9 s PRO 55 N -2.94 4.33 -1.65 1.29 0.04 -1.26 -3.30 135.00 131.50 2hm9 s PRO 55 Ca 0.63 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.35 2hm9 s PRO 55 Cb -0.17 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.78 2hm9 s PRO 55 CO 0.21 -0.50 0.29 0.39 0.04 0.00 0.00 177.00 177.43 2hm9 n GLU 56 N 5.44 -3.16 -3.97 4.56 1.02 -1.26 -4.91 120.64 118.35 2hm9 n GLU 56 Ca 0.12 0.95 -0.13 0.00 -0.02 0.00 0.00 57.16 58.07 2hm9 n GLU 56 Cb 0.46 -5.68 -0.14 0.00 -0.02 0.00 0.00 31.44 26.06 2hm9 n GLU 56 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2hm9 s ARG 57 N -5.34 0.15 -0.46 3.49 0.52 -1.21 -3.32 118.95 112.79 2hm9 s ARG 57 Ca 0.14 -0.07 -0.17 0.00 -0.52 0.00 0.00 55.73 55.12 2hm9 s ARG 57 Cb -0.06 -0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.31 2hm9 s ARG 57 CO 0.18 0.04 0.43 0.99 0.02 0.00 0.00 175.30 176.96 2hm9 s THR 58 N -0.05 5.13 -0.10 0.02 2.01 -1.26 -4.53 115.64 116.87 2hm9 s THR 58 Ca 0.01 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 2hm9 s THR 58 Cb -0.01 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2hm9 s THR 58 CO -0.00 -0.54 0.10 0.20 -0.69 0.00 0.00 174.62 173.69 2hm9 s ASN 59 N 2.25 6.00 -0.07 3.53 0.02 -1.26 -2.41 114.94 123.00 2hm9 s ASN 59 Ca 0.08 0.35 0.02 0.00 -1.02 0.00 0.00 52.86 52.30 2hm9 s ASN 59 Cb -0.21 -1.86 0.01 0.00 0.02 0.00 0.00 41.25 39.22 2hm9 s ASN 59 CO 0.10 0.39 -0.14 -0.69 0.02 0.00 0.00 177.10 176.78 2hm9 s VAL 60 N -1.00 1.30 -0.28 1.60 1.01 0.68 -0.44 120.40 123.26 2hm9 s VAL 60 Ca 0.15 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 2hm9 s VAL 60 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2hm9 s VAL 60 CO 0.04 0.39 0.28 -0.69 0.00 0.00 0.00 175.10 175.13 2hm9 s VAL 61 N 0.64 5.24 -0.22 2.92 1.01 0.53 -0.16 120.40 130.36 2hm9 s VAL 61 Ca -0.15 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 2hm9 s VAL 61 Cb -0.16 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2hm9 s VAL 61 CO 0.04 0.18 0.07 -0.22 0.00 0.00 0.00 175.10 175.17 2hm9 s LEU 62 N 1.91 3.66 -0.05 3.92 0.20 0.22 -2.16 118.68 126.39 2hm9 s LEU 62 Ca 0.11 -0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.90 2hm9 s LEU 62 Cb -0.16 -1.96 0.01 0.00 -0.43 0.00 0.00 46.19 43.65 2hm9 s LEU 62 CO 0.11 0.07 -0.13 0.28 -0.29 0.00 0.00 176.35 176.39 2hm9 s THR 63 N 1.01 1.11 0.14 3.68 -1.32 -1.17 -3.87 115.64 115.23 2hm9 s THR 63 Ca 0.04 -0.50 -0.13 0.00 -1.21 0.00 0.00 61.69 59.89 2hm9 s THR 63 Cb -0.14 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 69.87 2hm9 s THR 63 CO 0.03 0.34 1.59 -0.74 -2.21 0.00 0.00 174.62 173.63 2hm9 h HIS 64 N 6.63 0.89 -3.53 9.09 2.76 -1.88 -3.37 115.15 125.75 2hm9 h HIS 64 Ca -0.32 -0.15 -0.52 0.00 -2.20 0.00 0.00 60.37 57.18 2hm9 h HIS 64 Cb 1.18 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 2hm9 h HIS 64 CO 0.46 0.86 0.40 1.14 -1.30 0.00 0.00 177.93 179.49 2hm9 s GLN 65 N -5.01 4.65 0.00 5.26 -2.07 -1.26 -4.94 119.66 116.28 2hm9 s GLN 65 Ca -0.13 1.54 0.28 0.00 -1.82 0.00 0.00 55.36 55.24 2hm9 s GLN 65 Cb 0.11 -3.35 1.58 0.00 -1.09 0.00 0.00 33.01 30.26 2hm9 s GLN 65 CO 0.81 0.13 2.01 -0.85 -1.32 0.00 0.00 175.29 176.07 2hm9 n GLU 66 N 2.82 0.68 -0.08 9.60 0.28 -1.26 -3.17 120.64 129.52 2hm9 n GLU 66 Ca 0.03 0.01 0.12 0.00 -0.16 0.00 0.00 57.16 57.16 2hm9 n GLU 66 Cb 0.48 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.16 2hm9 n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2hm9 n ASP 67 N -1.12 2.39 -4.68 -1.84 8.00 -1.26 -4.90 116.55 113.13 2hm9 n ASP 67 Ca 0.18 -1.80 -0.35 0.00 0.71 0.00 0.00 54.79 53.53 2hm9 n ASP 67 Cb 0.15 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 2hm9 n ASP 67 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2hm9 s TYR 68 N -1.80 3.32 -0.07 1.24 6.14 -1.19 -5.09 117.35 119.90 2hm9 s TYR 68 Ca 0.34 0.19 0.05 0.00 0.64 0.00 0.00 57.07 58.30 2hm9 s TYR 68 Cb 0.20 -2.09 -0.01 0.00 0.42 0.00 0.00 41.96 40.49 2hm9 s TYR 68 CO 0.30 0.25 -0.24 -0.65 0.64 0.00 0.00 175.55 175.85 2hm9 s GLN 69 N 0.23 2.68 0.03 4.97 1.11 -1.26 -4.96 119.66 122.45 2hm9 s GLN 69 Ca 0.06 -0.87 0.06 0.00 0.01 0.00 0.00 55.36 54.62 2hm9 s GLN 69 Cb -0.12 -2.16 -0.02 0.00 -1.01 0.00 0.00 33.01 29.70 2hm9 s GLN 69 CO -0.00 0.29 -0.17 0.00 0.01 0.00 0.00 175.29 175.42 2hm9 s ALA 70 N 0.06 1.41 0.10 6.09 0.00 -1.26 -5.15 121.76 123.01 2hm9 s ALA 70 Ca -0.10 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2hm9 s ALA 70 Cb -0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2hm9 s ALA 70 CO 0.06 0.30 0.07 -0.65 0.00 0.00 0.00 175.76 175.54 2hm9 s GLN 71 N -1.00 2.80 0.00 0.00 -1.52 -1.26 -4.51 119.66 114.16 2hm9 s GLN 71 Ca 0.05 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 52.68 2hm9 s GLN 71 Cb -0.08 -2.66 0.00 0.00 -0.22 0.00 0.00 33.01 30.05 2hm9 s GLN 71 CO 0.01 0.54 0.00 0.41 -0.25 0.00 0.00 175.29 176.00 2hm9 n GLY 72 N 0.30 3.28 3.04 3.09 0.00 -1.26 -4.89 105.19 108.74 2hm9 n GLY 72 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2hm9 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hm9 s ALA 73 N -2.31 -0.37 0.25 4.61 0.00 -1.26 -4.30 121.76 118.38 2hm9 s ALA 73 Ca 0.00 0.39 -0.31 0.00 0.00 0.00 0.00 51.96 52.04 2hm9 s ALA 73 Cb 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 23.12 22.78 2hm9 s ALA 73 CO 0.00 -0.08 1.67 0.08 0.00 0.00 0.00 175.76 177.43 2hm9 s VAL 74 N -0.02 2.02 -0.33 0.00 1.01 0.42 -3.61 120.40 119.89 2hm9 s VAL 74 Ca -0.01 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 2hm9 s VAL 74 Cb -0.02 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2hm9 s VAL 74 CO 0.00 0.00 0.35 -0.69 0.00 0.00 0.00 175.10 174.77 2hm9 s VAL 75 N 0.60 5.18 -0.09 2.92 1.01 -1.25 0.20 120.40 128.97 2hm9 s VAL 75 Ca 0.69 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.82 2hm9 s VAL 75 Cb -0.49 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2hm9 s VAL 75 CO 0.40 -0.05 -0.19 0.68 0.00 0.00 0.00 175.10 175.94 2hm9 s VAL 76 N 2.01 1.66 -2.00 2.92 -7.23 -0.92 -4.99 120.40 111.86 2hm9 s VAL 76 Ca 0.12 -0.78 0.21 0.00 -1.81 0.00 0.00 61.98 59.71 2hm9 s VAL 76 Cb -0.16 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.33 2hm9 s VAL 76 CO 0.11 0.47 1.05 1.41 -0.31 0.00 0.00 175.10 177.83 2hm9 n HIS 77 N 3.68 0.00 -3.64 2.82 -0.00 -1.26 -3.03 115.22 113.79 2hm9 n HIS 77 Ca -0.21 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.15 2hm9 n HIS 77 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.42 2hm9 n HIS 77 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2hm9 s ASP 78 N -2.25 6.10 0.18 0.41 1.01 -1.26 -4.80 116.67 116.06 2hm9 s ASP 78 Ca 0.18 0.09 -0.12 0.00 0.71 0.00 0.00 52.55 53.41 2hm9 s ASP 78 Cb 0.17 -2.11 0.09 0.00 1.01 0.00 0.00 42.92 42.07 2hm9 s ASP 78 CO 0.49 0.04 1.77 0.58 0.21 0.00 0.00 175.17 178.26 2hm9 h VAL 79 N 5.10 1.21 -0.52 -1.27 2.07 -1.98 -2.05 116.25 118.81 2hm9 h VAL 79 Ca -0.37 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 2hm9 h VAL 79 Cb 1.17 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2hm9 h VAL 79 CO 0.63 0.23 0.12 0.00 0.02 0.00 0.00 177.57 178.57 2hm9 h ALA 80 N 1.14 1.23 -0.64 1.67 0.00 -2.00 -2.78 119.26 117.88 2hm9 h ALA 80 Ca 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2hm9 h ALA 80 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2hm9 h ALA 80 CO -0.03 0.53 0.24 0.00 0.00 0.00 0.00 179.25 179.99 2hm9 h ALA 81 N 1.36 1.22 -0.46 0.00 0.00 -1.80 0.11 119.26 119.70 2hm9 h ALA 81 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2hm9 h ALA 81 Cb 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2hm9 h ALA 81 CO -0.00 0.56 0.20 0.28 0.00 0.00 0.00 179.25 180.30 2hm9 h VAL 82 N 0.92 1.19 -0.55 0.00 2.07 -1.15 -0.86 116.25 117.88 2hm9 h VAL 82 Ca 0.21 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2hm9 h VAL 82 Cb 0.20 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2hm9 h VAL 82 CO -0.02 0.22 0.29 -0.26 0.02 0.00 0.00 177.57 177.82 2hm9 h PHE 83 N 0.60 0.77 -0.71 1.57 0.04 -1.37 -2.87 116.94 114.97 2hm9 h PHE 83 Ca 0.16 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2hm9 h PHE 83 Cb 0.15 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 2hm9 h PHE 83 CO -0.00 0.58 0.33 0.00 -0.60 0.00 0.00 178.31 178.61 2hm9 h ALA 84 N 1.12 1.24 -0.28 2.45 0.00 -0.59 0.57 119.26 123.76 2hm9 h ALA 84 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2hm9 h ALA 84 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2hm9 h ALA 84 CO -0.03 0.58 0.18 -0.92 0.00 0.00 0.00 179.25 179.06 2hm9 h TYR 85 N 1.01 0.36 -0.52 0.00 5.03 -0.96 0.61 116.97 122.50 2hm9 h TYR 85 Ca 0.24 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.51 2hm9 h TYR 85 Cb 0.13 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 2hm9 h TYR 85 CO 0.01 0.24 0.10 0.00 -1.32 0.00 0.00 178.16 177.19 2hm9 h ALA 86 N 1.10 1.19 -0.46 1.82 0.00 -1.28 -2.30 119.26 119.33 2hm9 h ALA 86 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2hm9 h ALA 86 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2hm9 h ALA 86 CO -0.02 0.55 0.12 0.87 0.00 0.00 0.00 179.25 180.77 2hm9 h LYS 87 N 0.78 0.69 -0.82 0.00 6.56 -0.07 -2.38 116.57 121.33 2hm9 h LYS 87 Ca 0.17 -0.12 -0.04 0.00 -1.06 0.00 0.00 60.65 59.60 2hm9 h LYS 87 Cb 0.33 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 31.84 2hm9 h LYS 87 CO 0.00 0.62 0.36 1.96 -2.06 0.00 0.00 179.45 180.33 2hm9 h GLN 88 N 0.67 1.21 -3.31 3.15 4.20 -0.32 -3.32 115.11 117.39 2hm9 h GLN 88 Ca 0.15 -0.20 -0.66 0.00 0.06 0.00 0.00 58.65 58.00 2hm9 h GLN 88 Cb 0.23 -0.21 -0.39 0.00 0.30 0.00 0.00 27.48 27.42 2hm9 h GLN 88 CO -0.01 0.96 -0.41 -1.01 -0.67 0.00 0.00 178.83 177.69 2hm9 s HIS 89 N -5.62 3.55 0.40 2.96 3.76 -0.90 -4.94 115.29 114.51 2hm9 s HIS 89 Ca -0.12 -3.09 0.09 0.00 -0.15 0.00 0.00 55.06 51.78 2hm9 s HIS 89 Cb 0.16 -2.98 0.88 0.00 1.11 0.00 0.00 32.58 31.75 2hm9 s HIS 89 CO 0.84 -0.70 1.99 -1.35 -0.85 0.00 0.00 174.74 174.67 2hm9 h PRO 90 N 6.12 0.56 -0.39 8.40 0.11 -1.66 -0.85 132.00 144.29 2hm9 h PRO 90 Ca 0.07 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 2hm9 h PRO 90 Cb 0.84 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 2hm9 h PRO 90 CO 0.75 0.37 0.01 -0.44 -0.21 0.00 0.00 178.00 178.48 2hm9 h ASP 91 N 0.58 0.57 -3.37 -2.05 5.19 -1.92 -3.42 116.42 112.00 2hm9 h ASP 91 Ca 0.26 -0.11 -0.53 0.00 -0.62 0.00 0.00 57.03 56.03 2hm9 h ASP 91 Cb 0.30 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2hm9 h ASP 91 CO -0.08 0.63 0.45 -1.10 -3.12 0.00 0.00 179.24 176.02 2hm9 s GLN 92 N -5.00 4.53 0.07 3.56 1.11 -0.33 -5.04 119.66 118.57 2hm9 s GLN 92 Ca -0.08 1.60 -0.09 0.00 0.01 0.00 0.00 55.36 56.80 2hm9 s GLN 92 Cb 0.15 -3.38 -0.06 0.00 -1.01 0.00 0.00 33.01 28.72 2hm9 s GLN 92 CO 0.78 -0.08 0.37 -1.21 0.01 0.00 0.00 175.29 175.16 2hm9 s GLU 93 N 0.70 3.71 -0.23 2.91 2.02 -1.26 -4.84 118.70 121.71 2hm9 s GLU 93 Ca 0.53 0.09 -0.09 0.00 0.02 0.00 0.00 54.97 55.53 2hm9 s GLU 93 Cb -0.26 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 2hm9 s GLU 93 CO 0.30 0.57 0.11 -1.17 0.02 0.00 0.00 175.26 175.09 2hm9 s LEU 94 N -1.97 3.88 -0.05 1.80 2.96 -1.25 0.10 118.68 124.15 2hm9 s LEU 94 Ca 0.33 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2hm9 s LEU 94 Cb -0.14 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.53 2hm9 s LEU 94 CO 0.18 0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.44 2hm9 s VAL 95 N 1.00 1.37 -0.39 1.68 1.01 0.24 0.79 120.40 126.09 2hm9 s VAL 95 Ca 0.06 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2hm9 s VAL 95 Cb -0.14 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.06 2hm9 s VAL 95 CO 0.03 0.40 0.43 -0.63 0.00 0.00 0.00 175.10 175.34 2hm9 s ILE 96 N 0.21 5.09 -1.05 2.22 -1.09 0.19 -0.01 121.20 126.76 2hm9 s ILE 96 Ca -0.07 -0.13 0.19 0.00 -2.23 0.00 0.00 60.65 58.40 2hm9 s ILE 96 Cb -0.13 -3.98 0.18 0.00 -1.58 0.00 0.00 42.46 36.95 2hm9 s ILE 96 CO 0.03 -0.31 1.60 0.00 -1.23 0.00 0.00 174.94 175.03 2hm9 n ALA 97 N 5.59 1.88 0.00 9.38 0.00 0.25 -2.55 120.51 135.06 2hm9 n ALA 97 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2hm9 n ALA 97 Cb 0.48 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2hm9 n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hm9 n GLY 98 N 0.43 -1.52 0.00 0.00 0.00 -1.22 -4.87 105.19 98.01 2hm9 n GLY 98 Ca 0.05 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2hm9 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hm9 n GLY 99 N 0.00 0.08 0.34 -0.02 0.00 -1.26 0.12 105.19 104.45 2hm9 n GLY 99 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 2hm9 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hm9 h ALA 100 N -2.00 1.24 -0.70 4.61 0.00 -1.93 0.96 119.26 121.44 2hm9 h ALA 100 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2hm9 h ALA 100 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2hm9 h ALA 100 CO 0.00 0.59 0.28 0.37 0.00 0.00 0.00 179.25 180.50 2hm9 h GLN 101 N 1.08 1.05 -0.44 0.00 4.15 -1.99 0.63 115.11 119.60 2hm9 h GLN 101 Ca 0.27 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 2hm9 h GLN 101 Cb 0.08 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2hm9 h GLN 101 CO -0.04 0.87 0.02 0.82 -1.93 0.00 0.00 178.83 178.58 2hm9 h ILE 102 N 1.01 1.26 -0.49 2.39 1.08 -1.71 -2.35 117.51 118.70 2hm9 h ILE 102 Ca 0.23 -0.99 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 2hm9 h ILE 102 Cb 0.21 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 2hm9 h ILE 102 CO -0.02 0.34 0.23 -0.26 -0.69 0.00 0.00 178.15 177.75 2hm9 h PHE 103 N 0.61 0.70 -0.78 1.37 0.04 -0.15 -2.89 116.94 115.83 2hm9 h PHE 103 Ca 0.13 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.87 2hm9 h PHE 103 Cb 0.46 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 2hm9 h PHE 103 CO 0.03 0.56 0.51 1.15 -0.60 0.00 0.00 178.31 179.96 2hm9 h THR 104 N 0.64 1.20 -0.73 -1.55 2.02 0.37 1.02 112.91 115.89 2hm9 h THR 104 Ca 0.17 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2hm9 h THR 104 Cb 0.12 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 2hm9 h THR 104 CO -0.02 0.20 0.31 0.00 0.37 0.00 0.00 175.52 176.38 2hm9 h ALA 105 N 1.28 1.18 -0.37 6.16 0.00 -1.27 -3.15 119.26 123.09 2hm9 h ALA 105 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hm9 h ALA 105 Cb -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.39 2hm9 h ALA 105 CO -0.06 0.61 0.00 1.19 0.00 0.00 0.00 179.25 180.99 2hm9 n PHE 106 N -4.30 0.49 -0.21 0.00 3.72 -0.99 -4.70 117.46 111.46 2hm9 n PHE 106 Ca 0.07 -0.48 -0.06 0.00 -0.05 0.00 0.00 57.45 56.92 2hm9 n PHE 106 Cb 0.16 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.72 2hm9 n PHE 106 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2hm9 h LYS 107 N 2.23 0.83 -0.28 -1.08 3.11 0.11 -2.76 116.57 118.72 2hm9 h LYS 107 Ca 0.00 -0.08 -0.07 0.00 -2.81 0.00 0.00 60.65 57.69 2hm9 h LYS 107 Cb 0.74 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2hm9 h LYS 107 CO 0.00 0.60 -0.11 0.22 -2.81 0.00 0.00 179.45 177.35 2hm9 h ASP 108 N 0.82 0.45 -0.53 4.20 1.82 -1.84 -3.03 116.42 118.32 2hm9 h ASP 108 Ca 0.22 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2hm9 h ASP 108 Cb -0.01 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 39.88 2hm9 h ASP 108 CO -0.04 0.60 0.00 -0.67 -1.61 0.00 0.00 179.24 177.52 2hm9 n ASP 109 N -4.22 3.18 -4.69 2.28 -0.08 -1.12 -4.92 116.55 106.98 2hm9 n ASP 109 Ca 0.01 -2.11 -0.39 0.00 -1.51 0.00 0.00 54.79 50.78 2hm9 n ASP 109 Cb 0.31 -0.41 -0.06 0.00 2.34 0.00 0.00 41.12 43.30 2hm9 n ASP 109 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2hm9 s VAL 110 N -1.44 5.12 -0.12 5.18 1.01 -1.06 -4.76 120.40 124.33 2hm9 s VAL 110 Ca 0.37 1.01 0.17 0.00 0.00 0.00 0.00 61.98 63.53 2hm9 s VAL 110 Cb 0.21 -3.86 -0.21 0.00 0.00 0.00 0.00 36.38 32.52 2hm9 s VAL 110 CO 0.23 0.23 0.54 -0.90 0.00 0.00 0.00 175.10 175.19 2hm9 n ASP 111 N 4.34 0.53 -4.19 3.32 5.75 -1.22 -4.67 116.55 120.41 2hm9 n ASP 111 Ca -0.05 0.24 -0.31 0.00 -0.01 0.00 0.00 54.79 54.66 2hm9 n ASP 111 Cb 0.51 0.53 -0.17 0.00 -1.03 0.00 0.00 41.12 40.96 2hm9 n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2hm9 s THR 112 N -2.79 1.98 -0.15 2.12 2.01 -1.17 -1.23 115.64 116.41 2hm9 s THR 112 Ca -0.06 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 2hm9 s THR 112 Cb 0.08 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 2hm9 s THR 112 CO 0.83 0.54 -0.12 -0.76 -0.69 0.00 0.00 174.62 174.42 2hm9 s LEU 113 N 0.49 2.66 -0.20 4.42 1.43 0.18 -0.39 118.68 127.27 2hm9 s LEU 113 Ca -0.16 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 2hm9 s LEU 113 Cb -0.17 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 2hm9 s LEU 113 CO 0.06 0.11 -0.09 -0.76 0.23 0.00 0.00 176.35 175.90 2hm9 s LEU 114 N 0.70 2.72 -0.04 1.79 1.43 0.36 -0.04 118.68 125.61 2hm9 s LEU 114 Ca -0.06 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2hm9 s LEU 114 Cb -0.15 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2hm9 s LEU 114 CO 0.02 0.01 -0.13 0.54 0.23 0.00 0.00 176.35 177.03 2hm9 s VAL 115 N 1.26 1.08 -0.17 -1.59 0.11 -0.57 -2.73 120.40 117.79 2hm9 s VAL 115 Ca 0.03 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 58.53 2hm9 s VAL 115 Cb -0.14 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 2hm9 s VAL 115 CO -0.04 0.32 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.12 2hm9 s THR 116 N 0.19 3.67 -0.10 5.04 2.01 -0.99 -2.06 115.64 123.41 2hm9 s THR 116 Ca -0.05 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.54 2hm9 s THR 116 Cb -0.11 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 2hm9 s THR 116 CO 0.01 0.47 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.68 2hm9 s ARG 117 N 0.73 3.03 -0.14 4.92 3.52 -0.88 0.13 118.95 130.26 2hm9 s ARG 117 Ca -0.02 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 54.88 2hm9 s ARG 117 Cb -0.15 -2.54 -0.02 0.00 -1.56 0.00 0.00 34.95 30.68 2hm9 s ARG 117 CO 0.02 0.39 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.33 2hm9 s LEU 118 N -0.12 3.10 0.26 -0.88 1.02 -1.12 -1.78 118.68 119.15 2hm9 s LEU 118 Ca -0.01 -0.18 -0.03 0.00 0.02 0.00 0.00 54.13 53.93 2hm9 s LEU 118 Cb -0.14 -1.73 0.33 0.00 0.02 0.00 0.00 46.19 44.68 2hm9 s LEU 118 CO 0.03 0.18 1.81 0.00 0.02 0.00 0.00 176.35 178.40 2hm9 h ALA 119 N 6.58 1.17 -2.33 4.21 0.00 -1.71 -3.01 119.26 124.18 2hm9 h ALA 119 Ca -0.31 -0.20 -0.49 0.00 0.00 0.00 0.00 54.91 53.91 2hm9 h ALA 119 Cb 1.20 -0.25 0.14 0.00 0.00 0.00 0.00 17.79 18.88 2hm9 h ALA 119 CO 0.60 0.58 0.27 0.20 0.00 0.00 0.00 179.25 180.90 2hm9 s GLY 120 N -3.56 1.63 -0.08 0.00 0.00 -1.23 -4.83 107.32 99.27 2hm9 s GLY 120 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.65 2hm9 s GLY 120 CO 0.81 0.48 -0.07 -1.35 0.00 0.00 0.00 173.10 172.97 2hm9 s SER 121 N -3.42 4.65 0.10 1.64 1.04 -1.26 -4.29 113.70 112.15 2hm9 s SER 121 Ca 0.63 -0.04 0.05 0.00 0.48 0.00 0.00 55.95 57.07 2hm9 s SER 121 Cb -0.18 -1.23 -0.03 0.00 0.10 0.00 0.00 66.02 64.68 2hm9 s SER 121 CO 0.57 0.34 -0.13 -0.36 0.98 0.00 0.00 173.24 174.64 2hm9 s PHE 122 N -0.69 1.25 -0.02 5.02 0.40 -1.26 -5.12 117.98 117.56 2hm9 s PHE 122 Ca 0.10 -0.54 0.07 0.00 -0.60 0.00 0.00 56.93 55.96 2hm9 s PHE 122 Cb -0.11 -0.68 -0.02 0.00 0.51 0.00 0.00 43.02 42.72 2hm9 s PHE 122 CO 0.02 0.08 -0.22 -2.00 0.70 0.00 0.00 175.22 173.79 2hm9 s GLU 123 N -2.34 2.22 0.18 0.44 2.12 -1.26 -4.90 118.70 115.16 2hm9 s GLU 123 Ca 0.04 -0.86 -0.24 0.00 0.36 0.00 0.00 54.97 54.27 2hm9 s GLU 123 Cb -0.06 -2.15 0.05 0.00 0.26 0.00 0.00 34.13 32.23 2hm9 s GLU 123 CO 0.02 0.58 0.83 0.20 -0.54 0.00 0.00 175.26 176.34 2hm9 s GLY 124 N -0.70 -0.25 0.00 -1.50 0.00 -1.26 -4.86 107.32 98.75 2hm9 s GLY 124 Ca 0.11 0.09 0.28 0.00 0.00 0.00 0.00 44.72 45.20 2hm9 s GLY 124 CO -0.00 0.02 1.71 1.34 0.00 0.00 0.00 173.10 176.17 2hm9 n ASP 125 N -0.43 1.20 -4.21 1.64 -0.08 -1.21 -4.83 116.55 108.63 2hm9 n ASP 125 Ca -0.07 -1.20 -0.32 0.00 -1.51 0.00 0.00 54.79 51.69 2hm9 n ASP 125 Cb 0.61 0.04 -0.17 0.00 2.34 0.00 0.00 41.12 43.94 2hm9 n ASP 125 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2hm9 s THR 126 N -2.21 2.14 0.09 5.18 2.01 -0.93 -4.86 115.64 117.06 2hm9 s THR 126 Ca 0.33 -0.97 0.10 0.00 0.31 0.00 0.00 61.69 61.46 2hm9 s THR 126 Cb 0.20 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 2hm9 s THR 126 CO 0.41 0.55 -0.25 -0.54 -0.69 0.00 0.00 174.62 174.10 2hm9 s LYS 127 N 0.57 1.63 0.40 4.92 3.01 -1.26 -2.92 119.74 126.08 2hm9 s LYS 127 Ca -0.13 -1.22 -0.25 0.00 -1.01 0.00 0.00 55.97 53.36 2hm9 s LYS 127 Cb -0.17 -1.97 -0.08 0.00 -1.01 0.00 0.00 37.83 34.59 2hm9 s LYS 127 CO 0.04 0.48 1.14 1.41 0.51 0.00 0.00 175.35 178.93 2hm9 s MET 128 N -1.76 4.08 0.70 1.68 1.75 -1.20 -4.84 119.30 119.72 2hm9 s MET 128 Ca 0.14 1.76 -0.16 0.00 -1.25 0.00 0.00 55.69 56.17 2hm9 s MET 128 Cb -0.10 -2.65 0.01 0.00 2.84 0.00 0.00 34.83 34.94 2hm9 s MET 128 CO 0.05 -0.27 1.18 0.44 -0.65 0.00 0.00 175.02 175.77 2hm9 n ILE 129 N 0.05 3.71 -1.78 10.11 -6.64 -1.26 -4.92 119.36 118.62 2hm9 n ILE 129 Ca 0.04 -0.40 -0.40 0.00 -1.77 0.00 0.00 62.75 60.23 2hm9 n ILE 129 Cb 0.47 -1.31 0.02 0.00 -1.44 0.00 0.00 39.64 37.38 2hm9 n ILE 129 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 2hm9 s PRO 130 N -3.51 3.62 0.05 6.28 0.04 -1.26 -5.03 135.00 135.19 2hm9 s PRO 130 Ca 0.78 2.42 0.06 0.00 0.04 0.00 0.00 61.00 64.30 2hm9 s PRO 130 Cb -0.35 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 2hm9 s PRO 130 CO 0.45 -0.87 -0.17 -0.51 0.04 0.00 0.00 177.00 175.94 2hm9 s LEU 131 N -2.81 2.20 -0.85 -3.56 1.43 -1.26 -5.09 118.68 108.74 2hm9 s LEU 131 Ca 0.62 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 53.02 2hm9 s LEU 131 Cb -0.44 -0.72 0.16 0.00 0.03 0.00 0.00 46.19 45.22 2hm9 s LEU 131 CO 0.56 0.05 0.95 0.20 0.23 0.00 0.00 176.35 178.34 2hm9 s ASN 132 N -1.34 6.62 0.27 2.29 -0.87 -1.26 -4.87 114.94 115.79 2hm9 s ASN 132 Ca 0.03 -2.20 -0.03 0.00 -1.57 0.00 0.00 52.86 49.10 2hm9 s ASN 132 Cb -0.09 -2.32 0.36 0.00 -0.02 0.00 0.00 41.25 39.18 2hm9 s ASN 132 CO 0.02 -0.90 1.87 -0.50 -2.57 0.00 0.00 177.10 175.02 2hm9 h TRP 133 N 8.50 1.01 -0.35 2.20 4.06 -1.99 -2.55 115.95 126.84 2hm9 h TRP 133 Ca 0.08 -0.04 -0.05 0.00 2.06 0.00 0.00 58.89 60.93 2hm9 h TRP 133 Cb 1.04 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.86 2hm9 h TRP 133 CO 1.08 0.74 -0.02 -0.44 -3.56 0.00 0.00 178.44 176.25 2hm9 h ASP 134 N 1.01 0.52 -0.22 -3.49 5.19 -2.05 -2.71 116.42 114.68 2hm9 h ASP 134 Ca 0.25 -0.11 -0.06 0.00 -0.62 0.00 0.00 57.03 56.49 2hm9 h ASP 134 Cb 0.11 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2hm9 h ASP 134 CO -0.03 0.60 -0.03 0.44 -3.12 0.00 0.00 179.24 177.10 2hm9 h ASP 135 N 0.53 0.51 -3.47 6.45 5.19 -1.87 -3.42 116.42 120.33 2hm9 h ASP 135 Ca 0.11 -0.11 -0.68 0.00 -0.62 0.00 0.00 57.03 55.73 2hm9 h ASP 135 Cb 0.36 -0.13 -0.16 0.00 0.18 0.00 0.00 39.33 39.57 2hm9 h ASP 135 CO 0.01 0.60 -0.65 -0.36 -3.12 0.00 0.00 179.24 175.72 2hm9 s PHE 136 N -4.91 3.06 -0.14 4.55 0.40 -1.02 -3.93 117.98 115.99 2hm9 s PHE 136 Ca -0.08 0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 2hm9 s PHE 136 Cb 0.15 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 2hm9 s PHE 136 CO 0.77 0.41 -0.09 0.99 0.70 0.00 0.00 175.22 178.01 2hm9 s THR 137 N -0.89 3.44 0.20 0.64 2.01 -1.11 -4.83 115.64 115.11 2hm9 s THR 137 Ca 0.14 -0.52 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 2hm9 s THR 137 Cb -0.11 -2.48 -0.10 0.00 0.01 0.00 0.00 72.50 69.82 2hm9 s THR 137 CO 0.03 0.51 1.56 -0.75 -0.69 0.00 0.00 174.62 175.28 2hm9 s LYS 138 N 0.38 4.21 -0.20 4.92 2.20 -1.26 -1.98 119.74 128.00 2hm9 s LYS 138 Ca -0.07 2.40 -0.11 0.00 -0.36 0.00 0.00 55.97 57.82 2hm9 s LYS 138 Cb -0.15 -3.12 -0.20 0.00 -1.51 0.00 0.00 37.83 32.85 2hm9 s LYS 138 CO 0.04 -0.58 0.08 1.33 -0.36 0.00 0.00 175.35 175.86 2hm9 n VAL 139 N 3.39 1.61 -3.65 4.02 0.24 -0.14 -4.90 118.33 118.89 2hm9 n VAL 139 Ca 0.12 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.93 2hm9 n VAL 139 Cb 0.38 -1.81 -0.03 0.00 -1.47 0.00 0.00 33.84 30.92 2hm9 n VAL 139 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2hm9 s SER 140 N -6.98 -0.37 0.16 -1.34 0.01 -1.19 -5.04 113.70 98.93 2hm9 s SER 140 Ca -0.30 -0.34 -0.22 0.00 1.31 0.00 0.00 55.95 56.41 2hm9 s SER 140 Cb 0.08 0.63 0.06 0.00 0.21 0.00 0.00 66.02 67.00 2hm9 s SER 140 CO 0.63 -1.10 0.57 -0.94 0.41 0.00 0.00 173.24 172.81 2hm9 s SER 141 N -2.84 -0.50 0.02 2.44 1.04 -1.26 -0.28 113.70 112.31 2hm9 s SER 141 Ca 0.07 -0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.45 2hm9 s SER 141 Cb -0.02 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 2hm9 s SER 141 CO -0.04 -0.96 -0.06 -0.60 0.98 0.00 0.00 173.24 172.56 2hm9 s ARG 142 N -3.76 0.46 -0.13 4.02 3.52 0.33 -4.97 118.95 118.42 2hm9 s ARG 142 Ca 0.02 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.20 2hm9 s ARG 142 Cb -0.01 -0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.02 2hm9 s ARG 142 CO -0.12 0.08 -0.15 0.99 -0.81 0.00 0.00 175.30 175.28 2hm9 s THR 143 N -0.65 2.79 -0.08 4.11 2.01 -1.26 0.85 115.64 123.41 2hm9 s THR 143 Ca -0.03 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.26 2hm9 s THR 143 Cb -0.05 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.30 2hm9 s THR 143 CO 0.00 0.53 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.57 2hm9 s VAL 144 N 0.45 1.71 -0.20 3.82 1.01 -0.63 -5.01 120.40 121.55 2hm9 s VAL 144 Ca -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 2hm9 s VAL 144 Cb -0.16 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2hm9 s VAL 144 CO 0.05 0.48 -0.05 -1.61 0.00 0.00 0.00 175.10 173.98 2hm9 s GLU 145 N 0.33 3.43 0.75 2.72 2.02 -1.26 -2.08 118.70 124.62 2hm9 s GLU 145 Ca -0.14 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.21 2hm9 s GLU 145 Cb -0.16 -2.97 0.13 0.00 0.10 0.00 0.00 34.13 31.23 2hm9 s GLU 145 CO 0.06 -0.09 1.04 0.34 0.02 0.00 0.00 175.26 176.63 2hm9 s ASP 146 N 1.22 4.19 0.12 -0.19 -1.08 -1.26 -4.96 116.67 114.71 2hm9 s ASP 146 Ca 0.03 -0.24 -0.18 0.00 -0.52 0.00 0.00 52.55 51.64 2hm9 s ASP 146 Cb -0.14 -0.11 -0.04 0.00 -1.46 0.00 0.00 42.92 41.17 2hm9 s ASP 146 CO -0.01 -1.98 1.71 0.71 0.52 0.00 0.00 175.17 176.12 2hm9 h THR 147 N -0.69 1.14 -2.97 1.71 1.35 -1.99 -3.42 112.91 108.04 2hm9 h THR 147 Ca -0.38 -0.40 -0.62 0.00 -0.55 0.00 0.00 66.41 64.47 2hm9 h THR 147 Cb 1.26 0.84 -0.06 0.00 -1.73 0.00 0.00 68.15 68.46 2hm9 h THR 147 CO 0.41 0.15 -0.27 0.20 -0.25 0.00 0.00 175.52 175.76 2hm9 s ASN 148 N -5.63 6.69 0.33 5.36 -0.87 -1.26 -4.99 114.94 114.56 2hm9 s ASN 148 Ca -0.13 0.82 0.04 0.00 -1.57 0.00 0.00 52.86 52.01 2hm9 s ASN 148 Cb 0.09 -2.21 0.64 0.00 -0.02 0.00 0.00 41.25 39.76 2hm9 s ASN 148 CO 0.72 0.31 1.92 1.55 -2.57 0.00 0.00 177.10 179.03 2hm9 h PRO 149 N 5.01 0.86 -0.61 -0.60 0.13 -1.95 -1.20 132.00 133.64 2hm9 h PRO 149 Ca -0.51 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.50 2hm9 h PRO 149 Cb 1.22 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 2hm9 h PRO 149 CO 0.62 0.57 0.11 0.00 -0.23 0.00 0.00 178.00 179.08 2hm9 h ALA 150 N 1.56 1.06 -0.20 -0.56 0.00 -1.94 -2.61 119.26 116.56 2hm9 h ALA 150 Ca 0.38 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2hm9 h ALA 150 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2hm9 h ALA 150 CO -0.15 0.61 -0.26 -0.07 0.00 0.00 0.00 179.25 179.38 2hm9 h LEU 151 N 0.92 0.39 -9.82 0.00 3.38 -1.64 -3.25 115.31 105.29 2hm9 h LEU 151 Ca 0.19 -0.13 -0.54 0.00 0.09 0.00 0.00 57.88 57.49 2hm9 h LEU 151 Cb 0.38 -0.11 0.09 0.00 0.09 0.00 0.00 40.66 41.11 2hm9 h LEU 151 CO 0.01 0.65 0.83 0.41 0.09 0.00 0.00 178.44 180.43 2hm9 n THR 152 N -4.12 1.30 -3.96 0.22 -1.04 -0.63 -4.66 114.28 101.38 2hm9 n THR 152 Ca -0.01 -0.32 -0.08 0.00 -2.04 0.00 0.00 64.05 61.59 2hm9 n THR 152 Cb 0.40 -1.94 -0.08 0.00 -1.82 0.00 0.00 70.33 66.89 2hm9 n THR 152 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2hm9 s HIS 153 N -0.32 0.35 0.04 -1.42 -3.43 -0.88 -2.99 115.29 106.63 2hm9 s HIS 153 Ca 0.61 -0.81 0.05 0.00 -0.80 0.00 0.00 55.06 54.12 2hm9 s HIS 153 Cb -0.50 -0.19 -0.02 0.00 -1.43 0.00 0.00 32.58 30.44 2hm9 s HIS 153 CO 0.53 -0.52 -0.16 0.99 -2.00 0.00 0.00 174.74 173.59 2hm9 s THR 154 N -3.91 1.25 -0.17 -5.38 2.01 -0.74 -1.60 115.64 107.10 2hm9 s THR 154 Ca 0.09 -1.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 2hm9 s THR 154 Cb 0.06 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2hm9 s THR 154 CO -0.08 0.08 0.02 -0.31 -0.69 0.00 0.00 174.62 173.64 2hm9 s TYR 155 N -0.80 3.16 0.01 4.92 2.02 0.25 -2.06 117.35 124.85 2hm9 s TYR 155 Ca 0.03 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.69 2hm9 s TYR 155 Cb -0.08 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.44 2hm9 s TYR 155 CO 0.01 0.07 -0.10 -1.21 -1.57 0.00 0.00 175.55 172.75 2hm9 s GLU 156 N 0.38 0.78 -0.11 -0.62 2.02 -0.88 0.12 118.70 120.40 2hm9 s GLU 156 Ca 0.00 -0.50 0.03 0.00 0.02 0.00 0.00 54.97 54.52 2hm9 s GLU 156 Cb -0.13 -0.74 0.01 0.00 0.10 0.00 0.00 34.13 33.36 2hm9 s GLU 156 CO 0.01 0.19 -0.21 0.08 0.02 0.00 0.00 175.26 175.36 2hm9 s VAL 157 N -0.53 1.85 -0.06 2.63 1.01 0.61 -1.51 120.40 124.41 2hm9 s VAL 157 Ca 0.02 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2hm9 s VAL 157 Cb -0.05 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2hm9 s VAL 157 CO 0.00 0.51 -0.08 0.26 0.00 0.00 0.00 175.10 175.80 2hm9 s TRP 158 N 0.61 2.91 -0.11 5.22 0.52 0.95 -0.97 118.94 128.06 2hm9 s TRP 158 Ca -0.13 -0.00 0.03 0.00 0.02 0.00 0.00 56.10 56.01 2hm9 s TRP 158 Cb -0.17 -1.69 -0.00 0.00 -1.15 0.00 0.00 33.47 30.46 2hm9 s TRP 158 CO 0.04 0.32 -0.21 -0.65 0.02 0.00 0.00 176.95 176.47 2hm9 s GLN 159 N -0.89 3.13 0.24 4.98 -0.21 -0.84 0.49 119.66 126.57 2hm9 s GLN 159 Ca 0.13 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 2hm9 s GLN 159 Cb -0.11 -2.41 -0.10 0.00 1.00 0.00 0.00 33.01 31.39 2hm9 s GLN 159 CO 0.02 0.16 1.44 0.21 -2.12 0.00 0.00 175.29 174.99 2hm9 s LYS 160 N 0.42 4.27 -0.00 2.91 2.36 -0.37 -2.74 119.74 126.60 2hm9 s LYS 160 Ca -0.15 2.29 0.07 0.00 -2.55 0.00 0.00 55.97 55.63 2hm9 s LYS 160 Cb -0.17 -3.12 -0.02 0.00 -1.05 0.00 0.00 37.83 33.47 2hm9 s LYS 160 CO 0.07 -0.41 -0.23 -1.59 1.55 0.00 0.00 175.35 174.74 2hm9 s LYS 161 N -0.32 1.77 0.00 4.03 -2.85 -1.25 -4.97 119.74 116.15 2hm9 s LYS 161 Ca 0.59 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 2hm9 s LYS 161 Cb -0.42 -1.75 0.00 0.00 -2.06 0.00 0.00 37.83 33.60 2hm9 s LYS 161 CO 0.43 0.47 0.16 0.00 0.10 0.00 0.00 175.35 176.51