#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kpa n GLY 15 N 0.00 3.99 0.68 -0.02 0.00 -1.26 -4.41 105.19 104.17 1kpa n GLY 15 Ca 0.00 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.66 1kpa n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kpa n ASP 16 N 0.00 2.10 -3.44 1.61 5.75 -1.26 -4.37 116.55 116.95 1kpa n ASP 16 Ca 0.00 -1.71 -0.11 0.00 -0.01 0.00 0.00 54.79 52.96 1kpa n ASP 16 Cb 0.00 -0.03 0.05 0.00 -1.03 0.00 0.00 41.12 40.11 1kpa n ASP 16 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1kpa n THR 17 N 0.64 0.00 -0.20 2.12 -2.24 -1.26 -4.92 114.28 108.42 1kpa n THR 17 Ca 0.17 -0.92 -0.02 0.00 -2.27 0.00 0.00 64.05 61.01 1kpa n THR 17 Cb 0.44 -0.96 0.19 0.00 -2.10 0.00 0.00 70.33 67.90 1kpa n THR 17 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1kpa h ILE 18 N -0.26 1.22 0.00 2.28 5.03 -2.00 0.75 117.51 124.53 1kpa h ILE 18 Ca -0.16 -0.64 -0.04 0.00 -0.12 0.00 0.00 64.86 63.90 1kpa h ILE 18 Cb 0.65 0.37 -0.01 0.00 -3.03 0.00 0.00 36.82 34.81 1kpa h ILE 18 CO 0.20 0.27 -0.18 -0.26 -0.68 0.00 0.00 178.15 177.49 1kpa h PHE 19 N 0.96 0.00 0.21 1.37 0.04 -1.94 -0.89 116.94 116.69 1kpa h PHE 19 Ca 0.23 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1kpa h PHE 19 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1kpa h PHE 19 CO 0.01 0.18 -0.10 0.78 -0.60 0.00 0.00 178.31 178.58 1kpa h GLY 20 N 0.62 -0.30 1.01 -1.45 0.00 -1.05 0.88 103.07 102.78 1kpa h GLY 20 Ca -0.00 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1kpa h GLY 20 CO 0.02 -0.11 0.65 0.50 0.00 0.00 0.00 176.54 177.61 1kpa h LYS 21 N -0.28 1.28 -0.35 4.80 1.57 -0.98 -1.00 116.57 121.62 1kpa h LYS 21 Ca -0.03 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.51 1kpa h LYS 21 Cb 0.22 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1kpa h LYS 21 CO 0.04 0.85 -0.42 0.82 -0.57 0.00 0.00 179.45 180.17 1kpa h ILE 22 N 1.32 1.28 -0.49 1.86 2.04 -1.02 0.67 117.51 123.17 1kpa h ILE 22 Ca 0.37 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 1kpa h ILE 22 Cb -0.13 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1kpa h ILE 22 CO -0.09 0.53 0.20 0.40 0.00 0.00 0.00 178.15 179.19 1kpa h ILE 23 N 0.70 1.21 0.00 -0.67 2.04 -0.35 -1.88 117.51 118.56 1kpa h ILE 23 Ca 0.05 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1kpa h ILE 23 Cb 1.02 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1kpa h ILE 23 CO 0.10 0.24 0.00 0.54 0.00 0.00 0.00 178.15 179.03 1kpa n ARG 24 N -4.57 0.94 -2.51 2.37 1.74 -0.42 -4.88 116.66 109.32 1kpa n ARG 24 Ca 0.01 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 1kpa n ARG 24 Cb 0.15 -1.11 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1kpa n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kpa n LYS 25 N -0.61 -2.26 0.12 5.56 5.02 -0.71 -4.85 118.16 120.43 1kpa n LYS 25 Ca 0.05 0.79 0.02 0.00 -2.02 0.00 0.00 58.31 57.15 1kpa n LYS 25 Cb 0.02 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 29.60 1kpa n LYS 25 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1kpa h GLU 26 N -0.15 0.00 -4.53 1.97 5.08 -1.12 -3.45 114.58 112.38 1kpa h GLU 26 Ca -0.40 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.56 1kpa h GLU 26 Cb 1.29 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.24 1kpa h GLU 26 CO 0.47 0.48 -0.78 0.96 -1.00 0.00 0.00 179.01 179.14 1kpa s ILE 27 N -2.95 0.68 0.86 3.13 -4.36 -1.19 -5.03 121.20 112.34 1kpa s ILE 27 Ca 0.03 -0.32 -0.12 0.00 -0.26 0.00 0.00 60.65 59.98 1kpa s ILE 27 Cb 0.08 -0.60 0.11 0.00 1.25 0.00 0.00 42.46 43.30 1kpa s ILE 27 CO 0.76 0.21 1.16 -2.65 0.24 0.00 0.00 174.94 174.66 1kpa n PRO 28 N 3.19 -0.11 -3.62 0.37 -0.02 -1.26 -4.50 135.00 129.04 1kpa n PRO 28 Ca -0.17 0.04 -0.14 0.00 -2.02 0.00 0.00 63.50 61.22 1kpa n PRO 28 Cb 0.55 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 1kpa n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kpa s ALA 29 N -2.35 -1.80 -0.94 3.55 0.00 -1.26 -5.01 121.76 113.95 1kpa s ALA 29 Ca 0.70 1.96 -0.24 0.00 0.00 0.00 0.00 51.96 54.38 1kpa s ALA 29 Cb -0.26 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 21.77 1kpa s ALA 29 CO 0.54 -0.33 1.42 0.15 0.00 0.00 0.00 175.76 177.54 1kpa s LYS 30 N 0.24 3.46 0.16 0.00 1.02 -1.26 -4.95 119.74 118.41 1kpa s LYS 30 Ca -0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 1kpa s LYS 30 Cb -0.05 -5.03 -0.08 0.00 -0.52 0.00 0.00 37.83 32.15 1kpa s LYS 30 CO 0.01 -2.22 1.31 0.42 -0.92 0.00 0.00 175.35 173.95 1kpa s ILE 31 N 5.31 3.36 -0.23 2.17 -1.09 -1.26 -2.26 121.20 127.21 1kpa s ILE 31 Ca 0.44 1.06 0.06 0.00 -2.23 0.00 0.00 60.65 59.97 1kpa s ILE 31 Cb -0.02 -3.68 -0.18 0.00 -1.58 0.00 0.00 42.46 37.00 1kpa s ILE 31 CO -0.03 0.13 -0.14 -0.38 -1.23 0.00 0.00 174.94 173.29 1kpa n ILE 32 N 3.14 1.36 -3.55 2.92 5.41 0.70 -4.98 119.36 124.37 1kpa n ILE 32 Ca 0.08 -0.59 -0.17 0.00 1.00 0.00 0.00 62.75 63.06 1kpa n ILE 32 Cb 0.43 -1.14 -0.06 0.00 -0.71 0.00 0.00 39.64 38.16 1kpa n ILE 32 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1kpa s PHE 33 N -2.47 -0.68 -0.05 1.39 2.19 -1.11 -5.01 117.98 112.23 1kpa s PHE 33 Ca -0.27 1.29 -0.17 0.00 0.33 0.00 0.00 56.93 58.11 1kpa s PHE 33 Cb 0.08 0.38 0.03 0.00 -1.31 0.00 0.00 43.02 42.20 1kpa s PHE 33 CO 0.61 -0.56 0.39 -2.00 1.83 0.00 0.00 175.22 175.49 1kpa s GLU 34 N -0.86 0.69 0.20 10.12 2.12 -1.26 -0.91 118.70 128.80 1kpa s GLU 34 Ca -0.09 0.04 -0.04 0.00 0.36 0.00 0.00 54.97 55.25 1kpa s GLU 34 Cb -0.01 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.71 1kpa s GLU 34 CO 0.08 -0.18 0.33 -0.40 -0.54 0.00 0.00 175.26 174.55 1kpa n ASP 35 N 1.54 -0.94 0.16 -1.70 5.68 -1.03 -5.02 116.55 115.25 1kpa n ASP 35 Ca -0.19 -1.95 0.12 0.00 -0.50 0.00 0.00 54.79 52.26 1kpa n ASP 35 Cb 0.56 1.65 0.59 0.00 -1.14 0.00 0.00 41.12 42.78 1kpa n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1kpa n ASP 36 N -1.62 0.61 -0.00 -1.12 5.75 -1.26 -3.36 116.55 115.55 1kpa n ASP 36 Ca -0.02 0.75 0.01 0.00 -0.01 0.00 0.00 54.79 55.53 1kpa n ASP 36 Cb 0.32 -0.84 -0.02 0.00 -1.03 0.00 0.00 41.12 39.55 1kpa n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1kpa n ARG 37 N -2.28 4.25 -3.85 0.11 1.74 -1.26 -4.89 116.66 110.47 1kpa n ARG 37 Ca -0.01 -0.01 -0.07 0.00 -0.77 0.00 0.00 57.85 56.99 1kpa n ARG 37 Cb 0.07 -0.77 -0.01 0.00 -1.02 0.00 0.00 32.46 30.74 1kpa n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kpa s LEU 39 N -2.96 1.31 -0.12 0.00 2.96 0.59 -2.46 118.68 118.01 1kpa s LEU 39 Ca 0.12 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1kpa s LEU 39 Cb -0.06 0.16 0.01 0.00 0.50 0.00 0.00 46.19 46.80 1kpa s LEU 39 CO 0.08 -0.08 -0.21 0.00 -1.32 0.00 0.00 176.35 174.82 1kpa s ALA 40 N 0.61 2.05 0.14 5.97 0.00 -0.09 -0.06 121.76 130.39 1kpa s ALA 40 Ca -0.05 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 1kpa s ALA 40 Cb -0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1kpa s ALA 40 CO -0.02 0.08 0.25 -0.59 0.00 0.00 0.00 175.76 175.48 1kpa s PHE 41 N 0.67 0.36 0.35 0.00 -0.71 -0.49 -0.21 117.98 117.95 1kpa s PHE 41 Ca -0.12 -0.74 -0.26 0.00 -1.04 0.00 0.00 56.93 54.77 1kpa s PHE 41 Cb -0.16 -0.08 -0.09 0.00 -1.21 0.00 0.00 43.02 41.48 1kpa s PHE 41 CO 0.02 -0.67 1.09 -1.01 -1.34 0.00 0.00 175.22 173.32 1kpa s HIS 42 N -3.95 3.36 0.02 3.49 3.76 -0.96 -0.92 115.29 120.10 1kpa s HIS 42 Ca 0.15 1.65 -0.29 0.00 -0.15 0.00 0.00 55.06 56.42 1kpa s HIS 42 Cb 0.04 -3.24 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 1kpa s HIS 42 CO -0.03 -0.72 0.93 0.34 -0.85 0.00 0.00 174.74 174.41 1kpa s ASP 43 N -1.20 7.35 0.02 1.40 -1.08 -0.03 -4.71 116.67 118.41 1kpa s ASP 43 Ca 0.52 1.62 0.19 0.00 -0.52 0.00 0.00 52.55 54.37 1kpa s ASP 43 Cb -0.28 -2.55 0.83 0.00 -1.46 0.00 0.00 42.92 39.46 1kpa s ASP 43 CO 0.35 -0.17 1.62 2.30 0.52 0.00 0.00 175.17 179.79 1kpa n ILE 44 N 3.52 0.68 -3.34 4.11 -5.35 -1.26 -3.64 119.36 114.08 1kpa n ILE 44 Ca 0.04 0.16 -0.26 0.00 -0.27 0.00 0.00 62.75 62.42 1kpa n ILE 44 Cb 0.51 -0.85 -0.08 0.00 -1.74 0.00 0.00 39.64 37.48 1kpa n ILE 44 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1kpa n SER 45 N -1.55 2.31 -4.77 7.28 7.64 -1.26 -5.11 113.62 118.16 1kpa n SER 45 Ca 0.05 -3.14 -0.41 0.00 1.01 0.00 0.00 58.87 56.38 1kpa n SER 45 Cb 0.23 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.76 1kpa n SER 45 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1kpa s PRO 46 N -1.92 4.12 -0.08 1.43 0.04 -1.24 -4.88 135.00 132.46 1kpa s PRO 46 Ca 0.38 2.56 0.16 0.00 0.04 0.00 0.00 61.00 64.14 1kpa s PRO 46 Cb 0.15 -2.98 0.53 0.00 0.04 0.00 0.00 34.50 32.24 1kpa s PRO 46 CO -0.05 -0.55 1.45 1.04 0.04 0.00 0.00 177.00 178.93 1kpa n GLN 47 N 0.89 3.19 -3.56 4.56 1.13 -1.26 -4.95 117.38 117.38 1kpa n GLN 47 Ca 0.03 -2.58 -0.07 0.00 -1.94 0.00 0.00 57.00 52.44 1kpa n GLN 47 Cb 0.39 -1.64 -0.03 0.00 0.11 0.00 0.00 30.24 29.07 1kpa n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kpa s ALA 48 N -1.70 -1.96 0.29 -1.58 0.00 -1.26 -5.04 121.76 110.51 1kpa s ALA 48 Ca 0.39 1.39 -0.02 0.00 0.00 0.00 0.00 51.96 53.72 1kpa s ALA 48 Cb 0.25 -0.08 0.63 0.00 0.00 0.00 0.00 23.12 23.92 1kpa s ALA 48 CO 0.19 -0.57 1.59 -1.35 0.00 0.00 0.00 175.76 175.63 1kpa h PRO 49 N 2.09 0.05 -5.22 0.00 0.11 -1.88 -3.33 132.00 123.82 1kpa h PRO 49 Ca -0.15 -0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.28 1kpa h PRO 49 Cb 1.20 -0.01 -0.32 0.00 0.11 0.00 0.00 31.00 31.98 1kpa h PRO 49 CO 0.27 0.03 -0.83 0.99 -0.21 0.00 0.00 178.00 178.25 1kpa s THR 50 N -6.06 2.40 -0.27 -1.15 2.01 -0.66 -5.02 115.64 106.89 1kpa s THR 50 Ca -0.13 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1kpa s THR 50 Cb 0.27 -1.98 0.15 0.00 0.01 0.00 0.00 72.50 70.95 1kpa s THR 50 CO 0.77 0.53 0.42 -2.28 -0.69 0.00 0.00 174.62 173.37 1kpa s HIS 51 N 0.71 -1.02 0.28 4.92 5.04 -1.25 -1.20 115.29 122.78 1kpa s HIS 51 Ca -0.08 0.61 0.04 0.00 -1.54 0.00 0.00 55.06 54.10 1kpa s HIS 51 Cb -0.16 -0.03 -0.06 0.00 0.04 0.00 0.00 32.58 32.37 1kpa s HIS 51 CO 0.01 -0.89 0.01 -0.59 -2.34 0.00 0.00 174.74 170.93 1kpa s PHE 52 N 2.58 1.84 0.10 3.88 -0.71 -0.62 -0.85 117.98 124.19 1kpa s PHE 52 Ca 0.11 -0.87 0.10 0.00 -1.04 0.00 0.00 56.93 55.23 1kpa s PHE 52 Cb -0.14 -1.12 -0.04 0.00 -1.21 0.00 0.00 43.02 40.52 1kpa s PHE 52 CO -0.25 0.07 -0.24 -0.51 -1.34 0.00 0.00 175.22 172.96 1kpa s LEU 53 N -3.42 2.41 -0.14 -1.99 1.43 -0.10 -0.50 118.68 116.37 1kpa s LEU 53 Ca 0.32 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1kpa s LEU 53 Cb 0.06 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.96 1kpa s LEU 53 CO 0.12 0.20 -0.17 -0.69 0.23 0.00 0.00 176.35 176.05 1kpa s VAL 54 N -1.02 1.72 0.03 -1.59 1.01 -0.33 -1.40 120.40 118.82 1kpa s VAL 54 Ca 0.15 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1kpa s VAL 54 Cb -0.10 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1kpa s VAL 54 CO 0.06 0.48 -0.19 0.27 0.00 0.00 0.00 175.10 175.73 1kpa s ILE 55 N 1.17 1.51 0.32 2.22 -4.36 0.92 -1.75 121.20 121.23 1kpa s ILE 55 Ca -0.01 -1.07 -0.27 0.00 -0.26 0.00 0.00 60.65 59.04 1kpa s ILE 55 Cb -0.14 -1.31 -0.09 0.00 1.25 0.00 0.00 42.46 42.17 1kpa s ILE 55 CO -0.06 0.21 1.01 -2.16 0.24 0.00 0.00 174.94 174.17 1kpa s PRO 56 N -1.01 4.51 0.46 0.37 0.04 -1.26 -0.30 135.00 137.81 1kpa s PRO 56 Ca 0.06 1.51 0.26 0.00 0.04 0.00 0.00 61.00 62.87 1kpa s PRO 56 Cb -0.08 -2.87 0.85 0.00 0.04 0.00 0.00 34.50 32.44 1kpa s PRO 56 CO 0.01 0.17 1.79 0.87 0.04 0.00 0.00 177.00 179.89 1kpa h LYS 57 N 3.25 0.00 -6.56 4.56 1.57 -1.56 -3.43 116.57 114.40 1kpa h LYS 57 Ca -0.47 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.79 1kpa h LYS 57 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1kpa h LYS 57 CO 0.65 0.12 0.44 0.21 -0.57 0.00 0.00 179.45 180.30 1kpa s LYS 58 N -3.48 4.59 -0.33 3.15 2.20 -1.26 -3.84 119.74 120.77 1kpa s LYS 58 Ca 0.03 1.60 -0.29 0.00 -0.36 0.00 0.00 55.97 56.95 1kpa s LYS 58 Cb 0.08 -3.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1kpa s LYS 58 CO 0.62 0.04 1.18 -1.58 -0.36 0.00 0.00 175.35 175.25 1kpa s HIS 59 N 0.25 2.91 -0.20 4.03 5.65 -1.26 -4.94 115.29 121.73 1kpa s HIS 59 Ca 0.51 1.00 0.01 0.00 0.25 0.00 0.00 55.06 56.82 1kpa s HIS 59 Cb -0.26 -3.87 0.05 0.00 -1.18 0.00 0.00 32.58 27.31 1kpa s HIS 59 CO 0.31 -1.24 -0.08 0.42 -0.65 0.00 0.00 174.74 173.50 1kpa s ILE 60 N 4.06 1.50 0.38 0.89 1.01 -1.26 -5.02 121.20 122.76 1kpa s ILE 60 Ca 0.50 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1kpa s ILE 60 Cb -0.14 -1.65 0.26 0.00 0.01 0.00 0.00 42.46 40.95 1kpa s ILE 60 CO 0.21 0.08 2.03 0.77 0.00 0.00 0.00 174.94 178.03 1kpa h SER 61 N 8.00 0.59 -4.46 3.58 4.64 -1.93 0.15 113.55 124.12 1kpa h SER 61 Ca -0.24 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.12 1kpa h SER 61 Cb 1.09 -0.15 -0.20 0.00 -0.31 0.00 0.00 62.40 62.84 1kpa h SER 61 CO 0.44 0.44 0.45 0.00 -0.87 0.00 0.00 176.83 177.29 1kpa s GLN 62 N -5.59 0.77 0.52 4.77 -2.07 -1.26 -2.63 119.66 114.16 1kpa s GLN 62 Ca -0.09 0.02 0.23 0.00 -1.82 0.00 0.00 55.36 53.70 1kpa s GLN 62 Cb 0.17 0.36 1.33 0.00 -1.09 0.00 0.00 33.01 33.79 1kpa s GLN 62 CO 0.75 -0.27 2.00 0.97 -1.32 0.00 0.00 175.29 177.42 1kpa h ILE 63 N 2.47 0.77 0.00 3.63 6.09 -1.88 -0.95 117.51 127.65 1kpa h ILE 63 Ca -0.22 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1kpa h ILE 63 Cb 1.18 0.71 0.00 0.00 0.47 0.00 0.00 36.82 39.19 1kpa h ILE 63 CO 0.33 0.01 0.00 0.77 -3.07 0.00 0.00 178.15 176.19 1kpa h SER 64 N 0.06 0.00 -0.34 2.19 4.64 -1.96 -1.80 113.55 116.34 1kpa h SER 64 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1kpa h SER 64 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1kpa h SER 64 CO -0.02 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.27 1kpa n VAL 65 N -2.90 0.93 -2.09 0.95 0.24 -0.37 -5.02 118.33 110.08 1kpa n VAL 65 Ca -0.01 -0.96 -0.39 0.00 -2.04 0.00 0.00 64.34 60.93 1kpa n VAL 65 Cb 0.16 0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 33.08 1kpa n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kpa s ALA 66 N -1.00 3.21 0.38 2.33 0.00 -0.68 -4.97 121.76 121.03 1kpa s ALA 66 Ca 0.23 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 1kpa s ALA 66 Cb 0.12 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1kpa s ALA 66 CO 0.16 -0.79 0.61 -1.21 0.00 0.00 0.00 175.76 174.53 1kpa s GLU 67 N -2.29 3.51 0.28 0.00 2.02 -1.26 -4.95 118.70 116.01 1kpa s GLU 67 Ca 0.58 -0.17 0.02 0.00 0.02 0.00 0.00 54.97 55.41 1kpa s GLU 67 Cb -0.37 -2.59 0.63 0.00 0.10 0.00 0.00 34.13 31.91 1kpa s GLU 67 CO 0.47 0.06 1.74 -0.44 0.02 0.00 0.00 175.26 177.11 1kpa h ASP 68 N 0.69 0.50 0.11 -0.19 3.32 -2.02 0.51 116.42 119.34 1kpa h ASP 68 Ca -0.49 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1kpa h ASP 68 Cb 1.21 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1kpa h ASP 68 CO 0.62 0.15 0.00 -0.90 -1.72 0.00 0.00 179.24 177.39 1kpa n ASP 69 N -4.91 0.00 -0.77 6.45 5.68 -1.26 -2.31 116.55 119.43 1kpa n ASP 69 Ca 0.20 -0.09 0.12 0.00 -0.50 0.00 0.00 54.79 54.52 1kpa n ASP 69 Cb 0.53 -0.16 0.31 0.00 -1.14 0.00 0.00 41.12 40.67 1kpa n ASP 69 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1kpa n ASP 70 N -1.16 2.35 0.03 -1.12 8.00 0.18 -4.47 116.55 120.36 1kpa n ASP 70 Ca 0.07 -1.79 -0.07 0.00 0.71 0.00 0.00 54.79 53.71 1kpa n ASP 70 Cb 0.06 -0.07 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 1kpa n ASP 70 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1kpa h GLU 71 N 3.41 0.44 -0.63 -1.24 4.11 -1.56 -1.40 114.58 117.72 1kpa h GLU 71 Ca 0.00 -0.26 -0.08 0.00 0.07 0.00 0.00 59.36 59.09 1kpa h GLU 71 Cb 0.74 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1kpa h GLU 71 CO 0.00 0.85 0.09 0.77 0.07 0.00 0.00 179.01 180.79 1kpa h SER 72 N 0.35 1.01 -0.75 3.06 0.02 -1.85 0.17 113.55 115.56 1kpa h SER 72 Ca 0.01 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 1kpa h SER 72 Cb 1.02 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 1kpa h SER 72 CO 0.09 1.02 0.23 0.25 -1.14 0.00 0.00 176.83 177.28 1kpa h LEU 73 N 0.96 1.09 -0.46 5.07 5.85 -1.82 0.91 115.31 126.91 1kpa h LEU 73 Ca 0.19 -0.21 -0.16 0.00 0.84 0.00 0.00 57.88 58.54 1kpa h LEU 73 Cb 0.45 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1kpa h LEU 73 CO 0.01 1.01 -0.48 -0.07 -0.34 0.00 0.00 178.44 178.57 1kpa h LEU 74 N 1.12 0.80 -0.96 2.25 3.38 -0.81 -2.48 115.31 118.61 1kpa h LEU 74 Ca 0.24 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1kpa h LEU 74 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1kpa h LEU 74 CO -0.01 1.15 -0.38 1.23 0.09 0.00 0.00 178.44 180.52 1kpa h GLY 75 N 0.90 0.29 1.05 0.83 0.00 -0.35 -2.84 103.07 102.95 1kpa h GLY 75 Ca 0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1kpa h GLY 75 CO 0.10 0.24 0.22 0.84 0.00 0.00 0.00 176.54 177.95 1kpa h HIS 76 N 0.23 1.15 -0.91 5.60 -0.00 -0.57 -0.97 115.15 119.69 1kpa h HIS 76 Ca 0.02 -0.12 0.10 0.00 -0.00 0.00 0.00 60.37 60.37 1kpa h HIS 76 Cb 0.78 -0.33 -0.07 0.00 -0.00 0.00 0.00 27.41 27.79 1kpa h HIS 76 CO 0.02 0.92 0.59 -0.07 -0.00 0.00 0.00 177.93 179.38 1kpa h LEU 77 N 1.06 0.83 -0.02 0.26 3.38 -1.20 0.71 115.31 120.32 1kpa h LEU 77 Ca 0.23 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 58.02 1kpa h LEU 77 Cb 0.31 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.93 1kpa h LEU 77 CO -0.01 0.48 -0.78 0.24 0.09 0.00 0.00 178.44 178.47 1kpa h MET 78 N 0.91 0.57 -0.30 1.13 2.86 -1.36 -1.64 114.93 117.10 1kpa h MET 78 Ca 0.42 -0.58 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1kpa h MET 78 Cb 0.41 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1kpa h MET 78 CO -0.19 1.20 0.16 0.82 1.06 0.00 0.00 176.91 179.96 1kpa h ILE 79 N 0.17 1.00 -0.76 -1.22 1.08 -0.68 -1.25 117.51 115.86 1kpa h ILE 79 Ca -0.09 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1kpa h ILE 79 Cb 1.45 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 1kpa h ILE 79 CO 0.15 0.06 0.45 0.58 -0.69 0.00 0.00 178.15 178.70 1kpa h VAL 80 N 0.33 1.22 -0.82 1.67 2.07 -0.91 -2.16 116.25 117.64 1kpa h VAL 80 Ca 0.12 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1kpa h VAL 80 Cb 0.03 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 1kpa h VAL 80 CO -0.08 0.23 0.49 1.23 0.02 0.00 0.00 177.57 179.46 1kpa h GLY 81 N 1.04 1.20 2.00 2.17 0.00 -0.67 0.13 103.07 108.94 1kpa h GLY 81 Ca 0.27 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1kpa h GLY 81 CO -0.05 0.48 -0.40 0.07 0.00 0.00 0.00 176.54 176.64 1kpa h LYS 82 N 1.14 0.00 -0.05 4.80 5.09 -0.91 -0.58 116.57 126.06 1kpa h LYS 82 Ca 0.30 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.90 1kpa h LYS 82 Cb -0.04 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.30 1kpa h LYS 82 CO -0.05 0.40 -0.51 0.87 -2.09 0.00 0.00 179.45 178.07 1kpa h LYS 83 N 0.00 0.43 -0.51 0.07 1.57 -0.73 -2.35 116.57 115.06 1kpa h LYS 83 Ca -0.00 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1kpa h LYS 83 Cb 1.15 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1kpa h LYS 83 CO 0.05 1.05 0.26 0.00 -0.57 0.00 0.00 179.45 180.24 1kpa h ALA 85 N 1.10 1.75 -0.03 0.00 0.00 -1.09 0.97 119.26 121.97 1kpa h ALA 85 Ca 0.18 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1kpa h ALA 85 Cb 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1kpa h ALA 85 CO -0.03 0.13 -0.62 0.00 0.00 0.00 0.00 179.25 178.74 1kpa h ALA 86 N 1.63 0.11 -0.27 0.00 0.00 -0.88 0.13 119.26 119.98 1kpa h ALA 86 Ca 0.30 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1kpa h ALA 86 Cb 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1kpa h ALA 86 CO -0.10 0.39 0.02 -0.44 0.00 0.00 0.00 179.25 179.12 1kpa h ASP 87 N 0.00 0.36 0.00 0.00 3.32 -0.58 -0.55 116.42 118.97 1kpa h ASP 87 Ca -0.07 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1kpa h ASP 87 Cb 1.30 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1kpa h ASP 87 CO 0.12 0.41 0.00 0.18 -1.72 0.00 0.00 179.24 178.23 1kpa n LEU 88 N -4.34 0.00 -1.05 1.55 4.77 0.28 -4.89 117.00 113.33 1kpa n LEU 88 Ca 0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 1kpa n LEU 88 Cb 0.20 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1kpa n LEU 88 CO 0.37 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.95 1kpa n GLY 89 N 0.65 0.03 2.43 -0.72 0.00 -0.21 -4.94 105.19 102.43 1kpa n GLY 89 Ca 0.10 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1kpa n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kpa n LEU 90 N -1.33 7.57 0.00 0.99 4.77 0.45 -4.59 117.00 124.86 1kpa n LEU 90 Ca -0.10 -4.52 0.10 0.00 -0.03 0.00 0.00 56.01 51.46 1kpa n LEU 90 Cb 0.58 -1.35 0.52 0.00 -2.33 0.00 0.00 43.42 40.84 1kpa n LEU 90 CO 0.13 1.96 0.81 -0.46 -1.33 0.00 0.00 177.39 178.51 1kpa n ASN 91 N 1.76 0.00 0.00 -1.43 0.23 -1.26 -2.52 115.26 112.04 1kpa n ASN 91 Ca 0.60 -0.10 0.10 0.00 -0.53 0.00 0.00 54.58 54.65 1kpa n ASN 91 Cb 0.36 -0.24 -0.09 0.00 -2.08 0.00 0.00 39.78 37.73 1kpa n ASN 91 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1kpa n LYS 92 N -1.24 0.08 0.00 -3.83 5.02 -1.26 -5.08 118.16 111.84 1kpa n LYS 92 Ca 0.10 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1kpa n LYS 92 Cb 0.15 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1kpa n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kpa n GLY 93 N 1.47 2.49 3.77 0.72 0.00 -1.05 -5.08 105.19 107.51 1kpa n GLY 93 Ca 0.03 -2.01 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 1kpa n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1kpa s TYR 94 N -1.82 -0.04 -0.03 1.61 -0.85 -1.26 -4.39 117.35 110.57 1kpa s TYR 94 Ca 0.00 -0.22 0.03 0.00 -0.52 0.00 0.00 57.07 56.36 1kpa s TYR 94 Cb 0.00 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.96 1kpa s TYR 94 CO 0.00 -0.65 -0.12 0.50 -1.52 0.00 0.00 175.55 173.76 1kpa s ARG 95 N -2.64 1.24 -0.10 -3.49 3.52 0.33 -4.96 118.95 112.86 1kpa s ARG 95 Ca 0.17 -0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 55.35 1kpa s ARG 95 Cb 0.00 -1.12 -0.03 0.00 -1.56 0.00 0.00 34.95 32.24 1kpa s ARG 95 CO 0.01 0.15 -0.04 -1.64 -0.81 0.00 0.00 175.30 172.98 1kpa s MET 96 N 0.17 3.07 0.00 5.12 -1.94 -1.26 -1.12 119.30 123.33 1kpa s MET 96 Ca -0.04 -0.49 0.02 0.00 -1.71 0.00 0.00 55.69 53.47 1kpa s MET 96 Cb -0.10 -2.74 -0.01 0.00 2.01 0.00 0.00 34.83 33.99 1kpa s MET 96 CO 0.01 0.57 -0.06 0.08 -0.01 0.00 0.00 175.02 175.62 1kpa s VAL 97 N -0.54 0.43 -0.11 -6.03 1.01 -0.57 -4.95 120.40 109.65 1kpa s VAL 97 Ca 0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1kpa s VAL 97 Cb -0.12 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.90 1kpa s VAL 97 CO 0.02 0.05 -0.07 -0.69 0.00 0.00 0.00 175.10 174.40 1kpa s VAL 98 N -0.30 0.99 -0.10 2.92 1.01 -1.26 -0.71 120.40 122.95 1kpa s VAL 98 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 1kpa s VAL 98 Cb -0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1kpa s VAL 98 CO -0.00 0.36 0.21 0.20 0.00 0.00 0.00 175.10 175.86 1kpa s ASN 99 N 1.65 6.48 -0.10 3.32 0.01 -1.26 -5.09 114.94 119.95 1kpa s ASN 99 Ca 0.04 0.57 0.03 0.00 -0.71 0.00 0.00 52.86 52.79 1kpa s ASN 99 Cb -0.13 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.43 1kpa s ASN 99 CO -0.07 0.37 -0.18 -0.70 -1.51 0.00 0.00 177.10 175.01 1kpa s GLU 100 N -0.95 2.43 1.69 -0.60 2.56 -1.26 -4.57 118.70 118.01 1kpa s GLU 100 Ca 0.17 -0.65 0.00 0.00 0.00 0.00 0.00 54.97 54.48 1kpa s GLU 100 Cb -0.13 -1.95 0.00 0.00 2.00 0.00 0.00 34.13 34.05 1kpa s GLU 100 CO 0.06 0.04 0.00 0.41 -0.56 0.00 0.00 175.26 175.21 1kpa n GLY 101 N 3.87 0.46 0.38 -1.50 0.00 -1.26 -1.99 105.19 105.15 1kpa n GLY 101 Ca -0.20 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 1kpa n GLY 101 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1kpa h SER 102 N 0.00 -0.90 -0.33 1.61 0.87 -1.95 0.38 113.55 113.23 1kpa h SER 102 Ca 0.00 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1kpa h SER 102 Cb 0.00 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1kpa h SER 102 CO 0.00 -0.52 0.17 0.44 -0.53 0.00 0.00 176.83 176.39 1kpa h ASP 103 N -0.80 0.46 1.37 6.23 5.19 -1.99 -2.26 116.42 124.62 1kpa h ASP 103 Ca -0.05 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1kpa h ASP 103 Cb 0.68 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1kpa h ASP 103 CO 0.01 0.40 -0.06 0.61 -3.12 0.00 0.00 179.24 177.08 1kpa n GLY 104 N -1.28 -1.66 1.31 2.75 0.00 -0.84 -4.93 105.19 100.53 1kpa n GLY 104 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1kpa n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpa n GLY 105 N 1.33 0.62 3.62 -0.02 0.00 -0.85 -4.52 105.19 105.37 1kpa n GLY 105 Ca 0.05 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1kpa n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kpa s GLN 106 N -1.45 3.47 -0.09 1.61 0.74 0.07 -4.86 119.66 119.15 1kpa s GLN 106 Ca 0.00 1.94 -0.01 0.00 0.05 0.00 0.00 55.36 57.34 1kpa s GLN 106 Cb 0.00 -4.24 -0.00 0.00 1.10 0.00 0.00 33.01 29.87 1kpa s GLN 106 CO 0.00 -1.70 -0.02 0.66 -0.55 0.00 0.00 175.29 173.68 1kpa h SER 107 N 13.03 0.00 -3.40 6.67 4.64 -1.93 -3.44 113.55 129.12 1kpa h SER 107 Ca -0.40 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.34 1kpa h SER 107 Cb 1.21 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.21 1kpa h SER 107 CO 0.98 0.46 -0.10 -0.69 -0.87 0.00 0.00 176.83 176.61 1kpa s VAL 108 N -1.55 5.15 -1.50 0.95 1.01 -1.26 -4.99 120.40 118.22 1kpa s VAL 108 Ca -0.02 0.94 -0.08 0.00 0.00 0.00 0.00 61.98 62.82 1kpa s VAL 108 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1kpa s VAL 108 CO 0.03 0.26 2.71 -1.22 0.00 0.00 0.00 175.10 176.87 1kpa n TYR 109 N 4.21 2.51 -3.67 5.22 4.02 -1.26 -4.67 117.16 123.51 1kpa n TYR 109 Ca -0.06 -2.98 -0.17 0.00 -0.01 0.00 0.00 57.90 54.68 1kpa n TYR 109 Cb 0.51 -2.21 -0.16 0.00 -0.02 0.00 0.00 39.34 37.46 1kpa n TYR 109 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1kpa s HIS 110 N 0.75 -0.16 0.19 -0.72 2.46 -1.08 -4.35 115.29 112.37 1kpa s HIS 110 Ca 0.63 0.58 -0.32 0.00 0.47 0.00 0.00 55.06 56.42 1kpa s HIS 110 Cb 0.18 -0.26 -0.16 0.00 -0.13 0.00 0.00 32.58 32.21 1kpa s HIS 110 CO -0.08 -0.26 1.08 0.28 -2.47 0.00 0.00 174.74 173.30 1kpa n VAL 111 N 5.24 1.13 -3.66 0.89 0.31 0.54 -4.92 118.33 117.87 1kpa n VAL 111 Ca -0.06 -0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 63.89 1kpa n VAL 111 Cb 0.50 -0.77 -0.08 0.00 -0.91 0.00 0.00 33.84 32.57 1kpa n VAL 111 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1kpa s HIS 112 N -0.40 -0.85 -0.17 3.52 -3.43 -1.26 -4.33 115.29 108.37 1kpa s HIS 112 Ca 0.71 1.80 -0.11 0.00 -0.80 0.00 0.00 55.06 56.66 1kpa s HIS 112 Cb -0.85 0.44 -0.05 0.00 -1.43 0.00 0.00 32.58 30.69 1kpa s HIS 112 CO 0.54 -0.43 0.19 -1.17 -2.00 0.00 0.00 174.74 171.87 1kpa s LEU 113 N 1.21 4.26 0.02 5.38 2.96 -0.71 -4.51 118.68 127.29 1kpa s LEU 113 Ca -0.07 0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1kpa s LEU 113 Cb -0.06 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1kpa s LEU 113 CO -0.12 0.20 0.18 -1.00 -1.32 0.00 0.00 176.35 174.29 1kpa s HIS 114 N 0.11 3.50 -0.10 5.38 3.76 0.11 -1.19 115.29 126.86 1kpa s HIS 114 Ca 0.12 0.29 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 1kpa s HIS 114 Cb -0.12 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.81 1kpa s HIS 114 CO 0.01 0.61 -0.10 0.08 -0.85 0.00 0.00 174.74 174.49 1kpa s VAL 115 N -1.39 1.16 -0.02 -0.90 1.01 0.35 -1.50 120.40 119.10 1kpa s VAL 115 Ca 0.30 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1kpa s VAL 115 Cb -0.13 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1kpa s VAL 115 CO 0.22 0.38 -0.20 -0.76 0.00 0.00 0.00 175.10 174.74 1kpa s LEU 116 N 1.32 2.02 0.00 3.92 1.02 -0.28 -1.60 118.68 125.08 1kpa s LEU 116 Ca -0.02 -0.38 -0.16 0.00 0.02 0.00 0.00 54.13 53.59 1kpa s LEU 116 Cb -0.14 -1.07 0.06 0.00 0.02 0.00 0.00 46.19 45.07 1kpa s LEU 116 CO -0.05 0.23 0.81 0.61 0.02 0.00 0.00 176.35 177.97 1kpa n GLY 117 N 2.71 0.89 0.41 -3.19 0.00 -0.34 -0.52 105.19 105.16 1kpa n GLY 117 Ca -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1kpa n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kpa n GLY 118 N -0.56 2.24 3.21 -0.02 0.00 -1.26 -1.65 105.19 107.15 1kpa n GLY 118 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1kpa n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kpa s ARG 119 N -0.89 0.92 0.03 1.61 1.70 -1.26 -4.83 118.95 116.23 1kpa s ARG 119 Ca 0.00 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 53.72 1kpa s ARG 119 Cb 0.00 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1kpa s ARG 119 CO 0.00 -0.28 1.35 -1.14 -1.08 0.00 0.00 175.30 174.15 1kpa s GLN 120 N -3.97 4.32 0.20 3.89 2.00 -1.26 -4.97 119.66 119.87 1kpa s GLN 120 Ca 0.15 1.94 -0.11 0.00 -2.00 0.00 0.00 55.36 55.34 1kpa s GLN 120 Cb 0.06 -3.47 -0.07 0.00 0.80 0.00 0.00 33.01 30.33 1kpa s GLN 120 CO -0.03 -0.49 0.54 -1.64 -0.50 0.00 0.00 175.29 173.17 1kpa s MET 121 N 1.91 3.86 0.53 1.67 -1.94 -1.26 -5.10 119.30 118.98 1kpa s MET 121 Ca 0.63 0.34 0.07 0.00 -1.71 0.00 0.00 55.69 55.02 1kpa s MET 121 Cb -0.32 -2.75 0.04 0.00 2.01 0.00 0.00 34.83 33.82 1kpa s MET 121 CO 0.27 0.38 0.51 -1.01 -0.01 0.00 0.00 175.02 175.16 1kpa s HIS 122 N -1.69 1.73 -0.03 -0.03 0.09 -1.26 -5.14 115.29 108.97 1kpa s HIS 122 Ca 0.44 -0.75 0.04 0.00 -0.00 0.00 0.00 55.06 54.79 1kpa s HIS 122 Cb -0.12 -2.04 -0.01 0.00 -0.00 0.00 0.00 32.58 30.41 1kpa s HIS 122 CO 0.20 -0.62 -0.16 -0.46 -0.00 0.00 0.00 174.74 173.71 1kpa s TRP 123 N -2.69 1.50 0.86 1.40 -0.00 -1.26 -4.12 118.94 114.63 1kpa s TRP 123 Ca 0.44 -0.35 -0.12 0.00 -0.00 0.00 0.00 56.10 56.08 1kpa s TRP 123 Cb -0.03 -0.99 0.11 0.00 -0.00 0.00 0.00 33.47 32.55 1kpa s TRP 123 CO 0.27 -0.08 1.10 -1.25 -0.00 0.00 0.00 176.95 176.98 1kpa s PRO 124 N -0.17 1.56 -1.23 5.86 0.04 -1.26 -5.03 135.00 134.77 1kpa s PRO 124 Ca 0.02 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 61.70 1kpa s PRO 124 Cb -0.08 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1kpa s PRO 124 CO 0.00 -2.01 3.11 -0.35 0.04 0.00 0.00 177.00 177.80 1kpa n PRO 125 N -3.71 3.32 -0.25 0.56 -0.04 -1.26 -5.21 135.00 128.41 1kpa n PRO 125 Ca 0.07 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1kpa n PRO 125 Cb 0.56 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1kpa n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87