#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 -2.47 0.00 -0.02 0.00 -1.26 -4.43 105.19 97.01 1kpa n GLY 15 Ca 0.00 -1.70 0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 0.04 0.00 -4.98 1.61 5.68 -1.26 -4.24 116.55 113.39 1kpa n ASP 16 Ca 0.00 -0.43 -0.20 0.00 -0.50 0.00 0.00 54.79 53.67 1kpa n ASP 16 Cb 0.00 -0.11 0.02 0.00 -1.14 0.00 0.00 41.12 39.90 1kpa n ASP 16 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1kpa s THR 17 N -2.21 3.03 0.13 2.12 -4.23 -1.26 -4.93 115.64 108.29 1kpa s THR 17 Ca 0.28 -0.78 0.29 0.00 -1.18 0.00 0.00 61.69 60.29 1kpa s THR 17 Cb 0.14 -3.09 0.29 0.00 1.34 0.00 0.00 72.50 71.18 1kpa s THR 17 CO 0.27 -0.05 1.88 -0.29 -0.54 0.00 0.00 174.62 175.89 1kpa h ILE 18 N 0.35 0.00 0.00 2.99 2.10 -1.99 0.22 117.51 121.18 1kpa h ILE 18 Ca -0.42 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.44 1kpa h ILE 18 Cb 1.28 0.64 -0.01 0.00 -1.09 0.00 0.00 36.82 37.64 1kpa h ILE 18 CO 0.50 0.00 -0.36 -0.26 -1.08 0.00 0.00 178.15 176.95 1kpa h PHE 19 N 0.00 0.00 -0.21 2.19 0.04 -1.92 -2.77 116.94 114.27 1kpa h PHE 19 Ca 0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 1kpa h PHE 19 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1kpa h PHE 19 CO 0.00 0.36 -0.52 0.78 -0.60 0.00 0.00 178.31 178.34 1kpa h GLY 20 N 3.15 0.79 1.32 -1.45 0.00 -0.73 -2.30 103.07 103.85 1kpa h GLY 20 Ca -0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 1kpa h GLY 20 CO 0.05 0.88 0.35 0.50 0.00 0.00 0.00 176.54 178.31 1kpa h LYS 21 N 0.44 0.90 -0.41 4.80 1.57 -1.47 -0.51 116.57 121.87 1kpa h LYS 21 Ca -0.00 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 1kpa h LYS 21 Cb 1.13 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1kpa h LYS 21 CO 0.11 0.66 -0.28 0.82 -0.57 0.00 0.00 179.45 180.20 1kpa h ILE 22 N 0.90 1.27 -0.64 1.86 2.04 -1.46 0.31 117.51 121.80 1kpa h ILE 22 Ca 0.23 -1.44 -0.08 0.00 1.00 0.00 0.00 64.86 64.57 1kpa h ILE 22 Cb 0.03 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1kpa h ILE 22 CO -0.04 0.49 0.07 0.40 0.00 0.00 0.00 178.15 179.07 1kpa h ILE 23 N 0.74 1.26 0.00 -0.67 2.04 -0.79 -2.17 117.51 117.92 1kpa h ILE 23 Ca 0.08 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1kpa h ILE 23 Cb 0.86 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1kpa h ILE 23 CO 0.08 0.40 0.00 0.54 0.00 0.00 0.00 178.15 179.16 1kpa n ARG 24 N -4.22 0.93 -1.92 2.37 1.74 -0.26 -4.85 116.66 110.44 1kpa n ARG 24 Ca 0.04 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.95 1kpa n ARG 24 Cb 0.31 -1.31 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 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 -0.81 -1.23 0.09 5.56 4.76 -0.82 -4.91 118.16 120.81 1kpa n LYS 25 Ca 0.14 0.93 -0.12 0.00 -2.87 0.00 0.00 58.31 56.39 1kpa n LYS 25 Cb 0.06 -5.24 -0.08 0.00 -1.84 0.00 0.00 35.03 27.93 1kpa n LYS 25 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1kpa h GLU 26 N 0.00 0.22 -5.78 1.97 5.08 -0.61 -3.45 114.58 112.01 1kpa h GLU 26 Ca -0.36 -0.31 -0.49 0.00 -1.00 0.00 0.00 59.36 57.20 1kpa h GLU 26 Cb 1.19 0.10 -0.21 0.00 0.50 0.00 0.00 28.75 30.33 1kpa h GLU 26 CO 0.48 1.09 -0.80 0.96 -1.00 0.00 0.00 179.01 179.73 1kpa s ILE 27 N -2.90 1.45 0.70 3.13 -4.36 -1.13 -5.01 121.20 113.08 1kpa s ILE 27 Ca -0.03 -1.46 -0.12 0.00 -0.26 0.00 0.00 60.65 58.77 1kpa s ILE 27 Cb 0.09 -1.36 0.02 0.00 1.25 0.00 0.00 42.46 42.45 1kpa s ILE 27 CO 0.85 -0.15 1.08 -2.16 0.24 0.00 0.00 174.94 174.80 1kpa s PRO 28 N -1.90 2.71 0.06 0.37 0.04 -1.26 -4.50 135.00 130.52 1kpa s PRO 28 Ca 0.03 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.07 1kpa s PRO 28 Cb -0.10 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1kpa s PRO 28 CO 0.03 -1.29 0.43 0.00 0.04 0.00 0.00 177.00 176.21 1kpa s ALA 29 N -2.73 -1.04 -1.26 8.56 0.00 -1.26 -5.00 121.76 119.03 1kpa s ALA 29 Ca 0.62 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 1kpa s ALA 29 Cb -0.17 0.40 0.13 0.00 0.00 0.00 0.00 23.12 23.49 1kpa s ALA 29 CO 0.49 -0.49 1.60 1.63 0.00 0.00 0.00 175.76 178.99 1kpa n LYS 30 N 0.39 3.31 -1.98 0.00 5.02 -1.26 -4.97 118.16 118.67 1kpa n LYS 30 Ca -0.18 -3.60 -0.42 0.00 -2.02 0.00 0.00 58.31 52.09 1kpa n LYS 30 Cb 0.60 -3.19 -0.03 0.00 -0.02 0.00 0.00 35.03 32.40 1kpa n LYS 30 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1kpa s ILE 31 N 2.38 2.83 -0.26 -0.18 1.01 -1.26 -1.33 121.20 124.39 1kpa s ILE 31 Ca 0.46 0.55 -0.09 0.00 0.00 0.00 0.00 60.65 61.57 1kpa s ILE 31 Cb 0.01 -3.35 -0.13 0.00 0.01 0.00 0.00 42.46 39.00 1kpa s ILE 31 CO 0.02 0.03 -0.31 -0.38 0.00 0.00 0.00 174.94 174.31 1kpa n ILE 32 N 4.11 1.45 -3.70 2.92 5.41 0.86 -4.95 119.36 125.47 1kpa n ILE 32 Ca 0.14 -0.42 -0.11 0.00 1.00 0.00 0.00 62.75 63.36 1kpa n ILE 32 Cb 0.40 -1.73 -0.06 0.00 -0.71 0.00 0.00 39.64 37.54 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 -2.49 -0.14 -0.22 1.39 5.36 -1.07 -5.00 117.98 115.80 1kpa s PHE 33 Ca -0.36 -0.11 -0.23 0.00 -0.96 0.00 0.00 56.93 55.27 1kpa s PHE 33 Cb 0.13 0.17 0.06 0.00 -0.34 0.00 0.00 43.02 43.04 1kpa s PHE 33 CO 0.50 -0.61 0.65 -2.00 -1.46 0.00 0.00 175.22 172.30 1kpa s GLU 34 N -3.32 0.79 0.00 10.12 2.12 -1.26 -0.64 118.70 126.51 1kpa s GLU 34 Ca 0.00 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.17 1kpa s GLU 34 Cb 0.01 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.79 1kpa s GLU 34 CO -0.08 -0.11 0.00 -0.40 -0.54 0.00 0.00 175.26 174.12 1kpa n ASP 35 N 2.54 0.06 0.15 -1.70 5.68 -0.96 -5.03 116.55 117.29 1kpa n ASP 35 Ca -0.14 -0.23 0.13 0.00 -0.50 0.00 0.00 54.79 54.05 1kpa n ASP 35 Cb 0.56 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.99 1kpa n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1kpa h ASP 36 N 0.00 0.00 0.00 -1.12 2.03 -2.04 -3.34 116.42 111.95 1kpa h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1kpa h ASP 36 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1kpa h ASP 36 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 179.24 176.10 1kpa n ARG 37 N -2.44 0.15 -3.90 4.15 1.85 -1.26 -4.93 116.66 110.28 1kpa n ARG 37 Ca 0.03 -0.29 -0.09 0.00 -1.00 0.00 0.00 57.85 56.50 1kpa n ARG 37 Cb 0.34 -0.77 -0.05 0.00 -1.05 0.00 0.00 32.46 30.93 1kpa n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kpa s LEU 39 N -2.95 1.12 -0.07 0.00 2.96 -0.28 -2.27 118.68 117.18 1kpa s LEU 39 Ca 0.16 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 1kpa s LEU 39 Cb -0.00 0.57 -0.01 0.00 0.50 0.00 0.00 46.19 47.25 1kpa s LEU 39 CO 0.03 -0.09 -0.24 0.00 -1.32 0.00 0.00 176.35 174.73 1kpa s ALA 40 N 0.43 2.18 0.04 5.97 0.00 0.19 -0.51 121.76 130.06 1kpa s ALA 40 Ca -0.03 -1.03 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 1kpa s ALA 40 Cb -0.04 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.39 1kpa s ALA 40 CO -0.02 0.38 0.37 -0.59 0.00 0.00 0.00 175.76 175.90 1kpa s PHE 41 N -0.04 -0.20 0.34 0.00 -0.71 -0.45 -0.10 117.98 116.83 1kpa s PHE 41 Ca -0.07 0.14 -0.28 0.00 -1.04 0.00 0.00 56.93 55.68 1kpa s PHE 41 Cb -0.15 0.17 -0.10 0.00 -1.21 0.00 0.00 43.02 41.73 1kpa s PHE 41 CO 0.05 -0.54 1.23 -1.01 -1.34 0.00 0.00 175.22 173.62 1kpa s HIS 42 N -2.42 3.14 0.12 3.49 3.76 -0.44 -0.41 115.29 122.52 1kpa s HIS 42 Ca -0.06 1.50 -0.31 0.00 -0.15 0.00 0.00 55.06 56.05 1kpa s HIS 42 Cb -0.01 -3.54 -0.08 0.00 1.11 0.00 0.00 32.58 30.06 1kpa s HIS 42 CO -0.02 -1.50 1.42 0.34 -0.85 0.00 0.00 174.74 174.14 1kpa s ASP 43 N -0.74 6.78 0.00 1.40 -1.08 -0.43 -4.63 116.67 117.97 1kpa s ASP 43 Ca 0.51 2.36 0.12 0.00 -0.52 0.00 0.00 52.55 55.02 1kpa s ASP 43 Cb -0.36 -2.59 0.63 0.00 -1.46 0.00 0.00 42.92 39.15 1kpa s ASP 43 CO 0.47 -0.69 1.26 0.00 0.52 0.00 0.00 175.17 176.73 1kpa n ILE 44 N 4.01 0.54 -3.11 4.11 3.06 -1.26 -3.18 119.36 123.53 1kpa n ILE 44 Ca 0.12 0.13 -0.20 0.00 -2.50 0.00 0.00 62.75 60.31 1kpa n ILE 44 Cb 0.42 -0.94 -0.05 0.00 0.54 0.00 0.00 39.64 39.61 1kpa n ILE 44 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1kpa n SER 45 N -1.22 -0.88 -4.76 9.51 2.88 -1.26 -5.13 113.62 112.76 1kpa n SER 45 Ca 0.06 -2.76 -0.41 0.00 -1.33 0.00 0.00 58.87 54.43 1kpa n SER 45 Cb 0.08 0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1kpa n SER 45 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1kpa s PRO 46 N -0.38 4.18 0.00 -1.46 0.04 -1.19 -4.96 135.00 131.23 1kpa s PRO 46 Ca 0.34 2.47 0.10 0.00 0.04 0.00 0.00 61.00 63.95 1kpa s PRO 46 Cb 0.14 -3.04 0.26 0.00 0.04 0.00 0.00 34.50 31.91 1kpa s PRO 46 CO -0.15 -0.51 1.19 1.04 0.04 0.00 0.00 177.00 178.61 1kpa n GLN 47 N 1.69 2.62 -3.44 4.56 1.13 -1.26 -4.97 117.38 117.70 1kpa n GLN 47 Ca 0.05 -1.92 -0.12 0.00 -1.94 0.00 0.00 57.00 53.07 1kpa n GLN 47 Cb 0.39 -1.24 -0.02 0.00 0.11 0.00 0.00 30.24 29.47 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 -0.99 -1.65 0.38 -1.58 0.00 -1.26 -5.03 121.76 111.64 1kpa s ALA 48 Ca 0.21 0.65 0.20 0.00 0.00 0.00 0.00 51.96 53.01 1kpa s ALA 48 Cb 0.11 0.73 1.16 0.00 0.00 0.00 0.00 23.12 25.12 1kpa s ALA 48 CO 0.14 -0.71 1.70 -1.35 0.00 0.00 0.00 175.76 175.54 1kpa h PRO 49 N 2.11 0.30 -4.45 0.00 0.11 -1.81 -3.33 132.00 124.92 1kpa h PRO 49 Ca -0.32 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.25 1kpa h PRO 49 Cb 1.28 -0.07 -0.35 0.00 0.11 0.00 0.00 31.00 31.98 1kpa h PRO 49 CO 0.37 0.20 -0.81 0.99 -0.21 0.00 0.00 178.00 178.54 1kpa s THR 50 N -5.51 1.14 -0.26 -1.15 2.01 -0.54 -4.99 115.64 106.34 1kpa s THR 50 Ca -0.09 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 1kpa s THR 50 Cb 0.28 -1.08 0.14 0.00 0.01 0.00 0.00 72.50 71.85 1kpa s THR 50 CO 0.80 0.37 0.37 -2.28 -0.69 0.00 0.00 174.62 173.19 1kpa s HIS 51 N 1.08 -0.82 0.34 4.92 5.04 -1.25 -1.49 115.29 123.11 1kpa s HIS 51 Ca -0.06 0.63 0.04 0.00 -1.54 0.00 0.00 55.06 54.12 1kpa s HIS 51 Cb -0.14 -0.07 -0.06 0.00 0.04 0.00 0.00 32.58 32.35 1kpa s HIS 51 CO -0.01 -0.79 0.06 -0.59 -2.34 0.00 0.00 174.74 171.07 1kpa s PHE 52 N 2.52 1.98 0.07 3.88 -0.71 -0.67 -1.32 117.98 123.73 1kpa s PHE 52 Ca 0.12 -0.97 0.08 0.00 -1.04 0.00 0.00 56.93 55.12 1kpa s PHE 52 Cb -0.15 -1.31 -0.03 0.00 -1.21 0.00 0.00 43.02 40.32 1kpa s PHE 52 CO -0.20 0.02 -0.22 -0.51 -1.34 0.00 0.00 175.22 172.97 1kpa s LEU 53 N -3.52 2.21 -0.11 -1.99 1.43 0.45 -1.47 118.68 115.68 1kpa s LEU 53 Ca 0.35 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1kpa s LEU 53 Cb 0.08 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.32 1kpa s LEU 53 CO 0.15 0.14 -0.17 -0.69 0.23 0.00 0.00 176.35 176.01 1kpa s VAL 54 N -0.92 1.64 0.07 -1.59 1.01 -0.53 -1.34 120.40 118.75 1kpa s VAL 54 Ca 0.08 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1kpa s VAL 54 Cb -0.09 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1kpa s VAL 54 CO 0.03 0.47 -0.12 0.27 0.00 0.00 0.00 175.10 175.74 1kpa s ILE 55 N 0.80 0.96 0.48 2.22 -4.36 0.34 -1.45 121.20 120.19 1kpa s ILE 55 Ca -0.10 -1.28 -0.20 0.00 -0.26 0.00 0.00 60.65 58.82 1kpa s ILE 55 Cb -0.16 -0.98 -0.09 0.00 1.25 0.00 0.00 42.46 42.49 1kpa s ILE 55 CO 0.01 -0.29 1.01 -2.16 0.24 0.00 0.00 174.94 173.75 1kpa s PRO 56 N -1.79 3.89 0.24 0.37 0.04 -1.26 -1.13 135.00 135.37 1kpa s PRO 56 Ca -0.03 1.24 0.12 0.00 0.04 0.00 0.00 61.00 62.36 1kpa s PRO 56 Cb -0.09 -2.12 0.19 0.00 0.04 0.00 0.00 34.50 32.52 1kpa s PRO 56 CO 0.02 -0.34 1.50 0.87 0.04 0.00 0.00 177.00 179.09 1kpa h LYS 57 N 1.49 0.00 -6.68 4.56 1.57 -1.42 -3.44 116.57 112.66 1kpa h LYS 57 Ca -0.49 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.77 1kpa h LYS 57 Cb 1.21 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.55 1kpa h LYS 57 CO 0.60 0.68 0.70 0.21 -0.57 0.00 0.00 179.45 181.06 1kpa s LYS 58 N -3.20 4.34 -0.64 3.15 2.20 -1.26 -3.99 119.74 120.33 1kpa s LYS 58 Ca 0.01 2.14 -0.26 0.00 -0.36 0.00 0.00 55.97 57.50 1kpa s LYS 58 Cb 0.11 -3.17 0.04 0.00 -1.51 0.00 0.00 37.83 33.29 1kpa s LYS 58 CO 0.76 -0.34 1.11 -1.58 -0.36 0.00 0.00 175.35 174.94 1kpa s HIS 59 N 0.24 2.57 -0.23 4.03 5.65 -1.26 -4.92 115.29 121.37 1kpa s HIS 59 Ca 0.59 -0.03 -0.01 0.00 0.25 0.00 0.00 55.06 55.86 1kpa s HIS 59 Cb -0.38 -4.39 0.02 0.00 -1.18 0.00 0.00 32.58 26.65 1kpa s HIS 59 CO 0.38 -1.68 -0.09 0.42 -0.65 0.00 0.00 174.74 173.12 1kpa s ILE 60 N 4.74 2.75 0.38 0.89 1.01 -1.26 -5.02 121.20 124.69 1kpa s ILE 60 Ca 0.33 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 60.10 1kpa s ILE 60 Cb -0.11 -2.35 0.16 0.00 0.01 0.00 0.00 42.46 40.17 1kpa s ILE 60 CO 0.18 0.28 1.91 0.77 0.00 0.00 0.00 174.94 178.08 1kpa h SER 61 N 8.00 0.27 -4.55 3.58 4.64 -1.93 0.26 113.55 123.81 1kpa h SER 61 Ca -0.36 -0.05 0.04 0.00 -0.47 0.00 0.00 61.79 60.95 1kpa h SER 61 Cb 1.12 -0.07 -0.19 0.00 -0.31 0.00 0.00 62.40 62.95 1kpa h SER 61 CO 0.58 0.41 0.41 0.00 -0.87 0.00 0.00 176.83 177.37 1kpa s GLN 62 N -4.77 0.83 0.46 4.77 -2.07 -1.26 -2.74 119.66 114.87 1kpa s GLN 62 Ca -0.06 0.00 0.21 0.00 -1.82 0.00 0.00 55.36 53.70 1kpa s GLN 62 Cb 0.15 0.39 1.20 0.00 -1.09 0.00 0.00 33.01 33.67 1kpa s GLN 62 CO 0.74 -0.30 1.88 0.97 -1.32 0.00 0.00 175.29 177.25 1kpa h ILE 63 N 2.47 0.65 0.00 3.63 6.09 -1.89 -2.01 117.51 126.46 1kpa h ILE 63 Ca -0.23 -0.09 -0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1kpa h ILE 63 Cb 1.19 0.35 -0.00 0.00 0.47 0.00 0.00 36.82 38.83 1kpa h ILE 63 CO 0.34 0.05 -0.02 0.77 -3.07 0.00 0.00 178.15 176.21 1kpa h SER 64 N 0.28 0.00 -0.32 2.19 4.64 -1.96 -2.00 113.55 116.37 1kpa h SER 64 Ca 0.44 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.64 1kpa h SER 64 Cb 1.28 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 1kpa h SER 64 CO -0.12 0.02 -0.02 1.33 -0.87 0.00 0.00 176.83 177.17 1kpa n VAL 65 N -3.21 2.45 -2.73 0.95 0.24 -0.75 -4.98 118.33 110.30 1kpa n VAL 65 Ca -0.02 -2.38 -0.38 0.00 -2.04 0.00 0.00 64.34 59.53 1kpa n VAL 65 Cb 0.18 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.20 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 -3.08 3.25 0.48 2.33 0.00 -0.75 -4.94 121.76 119.04 1kpa s ALA 66 Ca 0.44 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 1kpa s ALA 66 Cb 0.38 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1kpa s ALA 66 CO 0.04 0.13 0.75 -1.21 0.00 0.00 0.00 175.76 175.46 1kpa s GLU 67 N -1.82 3.29 0.58 0.00 2.02 -1.26 -4.98 118.70 116.53 1kpa s GLU 67 Ca 0.48 -0.09 0.30 0.00 0.02 0.00 0.00 54.97 55.69 1kpa s GLU 67 Cb -0.22 -2.44 1.81 0.00 0.10 0.00 0.00 34.13 33.38 1kpa s GLU 67 CO 0.27 -0.27 2.23 -0.44 0.02 0.00 0.00 175.26 177.08 1kpa h ASP 68 N 0.26 0.00 1.54 -0.19 5.19 -2.02 -1.90 116.42 119.30 1kpa h ASP 68 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1kpa h ASP 68 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1kpa h ASP 68 CO 0.60 0.02 0.00 0.44 -3.12 0.00 0.00 179.24 177.18 1kpa h ASP 69 N 0.00 0.00 0.13 6.45 3.32 -2.03 -2.84 116.42 121.45 1kpa h ASP 69 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kpa h ASP 69 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1kpa h ASP 69 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1kpa n ASP 70 N -3.04 0.00 -0.03 6.45 8.00 -0.71 -4.39 116.55 122.83 1kpa n ASP 70 Ca 0.03 -0.71 -0.12 0.00 0.71 0.00 0.00 54.79 54.69 1kpa n ASP 70 Cb 0.42 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 1kpa n ASP 70 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1kpa h GLU 71 N 0.00 -0.45 0.00 -1.24 4.81 -1.63 0.25 114.58 116.33 1kpa h GLU 71 Ca 0.00 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1kpa h GLU 71 Cb 0.06 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1kpa h GLU 71 CO 0.00 -0.30 -0.31 0.66 -0.73 0.00 0.00 179.01 178.33 1kpa h SER 72 N -0.46 0.00 -0.27 1.04 4.64 -1.86 -1.58 113.55 115.06 1kpa h SER 72 Ca 0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1kpa h SER 72 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1kpa h SER 72 CO -0.44 0.31 0.01 0.25 -0.87 0.00 0.00 176.83 176.09 1kpa h LEU 73 N 0.00 0.47 -0.82 5.97 5.85 -1.47 0.24 115.31 125.54 1kpa h LEU 73 Ca -0.00 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1kpa h LEU 73 Cb 0.75 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1kpa h LEU 73 CO 0.04 0.65 0.27 -0.07 -0.34 0.00 0.00 178.44 178.99 1kpa h LEU 74 N 0.27 1.06 -0.94 2.25 3.38 -0.25 -0.98 115.31 120.11 1kpa h LEU 74 Ca 0.08 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1kpa h LEU 74 Cb 0.40 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1kpa h LEU 74 CO 0.01 0.96 -0.36 1.23 0.09 0.00 0.00 178.44 180.37 1kpa h GLY 75 N 1.13 0.35 1.61 0.83 0.00 -1.08 -2.68 103.07 103.23 1kpa h GLY 75 Ca 0.25 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1kpa h GLY 75 CO -0.01 0.29 -0.12 0.84 0.00 0.00 0.00 176.54 177.53 1kpa h HIS 76 N 0.27 0.51 -0.25 5.60 -0.00 0.56 -1.19 115.15 120.65 1kpa h HIS 76 Ca 0.03 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.27 1kpa h HIS 76 Cb 0.77 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1kpa h HIS 76 CO 0.02 0.58 -0.10 -0.07 -0.00 0.00 0.00 177.93 178.37 1kpa h LEU 77 N 0.44 0.39 -0.08 0.26 3.38 -0.88 -0.84 115.31 117.98 1kpa h LEU 77 Ca 0.08 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1kpa h LEU 77 Cb 0.48 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.14 1kpa h LEU 77 CO 0.03 0.52 -0.86 0.24 0.09 0.00 0.00 178.44 178.46 1kpa h MET 78 N 0.38 0.72 -0.42 1.13 2.86 -1.24 -1.99 114.93 116.37 1kpa h MET 78 Ca 0.08 -0.67 -0.02 0.00 -2.06 0.00 0.00 59.70 57.02 1kpa h MET 78 Cb 0.41 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1kpa h MET 78 CO 0.02 1.27 0.19 0.82 1.06 0.00 0.00 176.91 180.27 1kpa h ILE 79 N 0.42 1.19 -0.56 -1.22 1.08 -1.08 -1.00 117.51 116.33 1kpa h ILE 79 Ca -0.09 -0.55 -0.05 0.00 -0.39 0.00 0.00 64.86 63.78 1kpa h ILE 79 Cb 1.51 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 1kpa h ILE 79 CO 0.17 0.21 0.14 0.58 -0.69 0.00 0.00 178.15 178.57 1kpa h VAL 80 N 0.54 1.23 -0.46 1.67 2.07 -1.21 -1.03 116.25 119.06 1kpa h VAL 80 Ca 0.14 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1kpa h VAL 80 Cb 0.15 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1kpa h VAL 80 CO -0.02 0.31 0.11 1.23 0.02 0.00 0.00 177.57 179.23 1kpa h GLY 81 N 0.98 0.79 0.96 2.17 0.00 -1.08 0.27 103.07 107.17 1kpa h GLY 81 Ca 0.18 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1kpa h GLY 81 CO -0.00 0.46 0.18 1.70 0.00 0.00 0.00 176.54 178.88 1kpa h LYS 82 N 0.61 0.70 -0.65 4.80 3.64 -0.88 0.67 116.57 125.46 1kpa h LYS 82 Ca 0.14 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1kpa h LYS 82 Cb 0.32 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1kpa h LYS 82 CO 0.00 0.63 0.10 0.87 -2.27 0.00 0.00 179.45 178.79 1kpa h LYS 83 N 0.61 1.07 -0.35 1.90 1.57 -1.02 -1.83 116.57 118.51 1kpa h LYS 83 Ca 0.15 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1kpa h LYS 83 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1kpa h LYS 83 CO -0.01 0.98 -0.09 0.00 -0.57 0.00 0.00 179.45 179.76 1kpa h ALA 85 N 0.81 0.57 -0.03 0.00 0.00 -0.72 -1.83 119.26 118.05 1kpa h ALA 85 Ca 0.09 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1kpa h ALA 85 Cb 0.60 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1kpa h ALA 85 CO 0.04 -0.30 -0.20 0.00 0.00 0.00 0.00 179.25 178.79 1kpa h ALA 86 N 1.38 -0.23 0.00 0.00 0.00 -0.99 -2.20 119.26 117.22 1kpa h ALA 86 Ca 0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1kpa h ALA 86 Cb 0.33 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1kpa h ALA 86 CO -0.32 -0.69 0.00 -0.25 0.00 0.00 0.00 179.25 177.99 1kpa n ASP 87 N -5.34 0.00 -0.74 0.00 8.00 -0.83 -1.91 116.55 115.74 1kpa n ASP 87 Ca -0.04 -0.49 0.07 0.00 0.71 0.00 0.00 54.79 55.03 1kpa n ASP 87 Cb 0.25 -0.04 0.17 0.00 -0.02 0.00 0.00 41.12 41.48 1kpa n ASP 87 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1kpa n LEU 88 N -1.04 3.01 -0.24 0.64 4.77 -0.75 -4.99 117.00 118.40 1kpa n LEU 88 Ca 0.13 -1.91 -0.03 0.00 -0.03 0.00 0.00 56.01 54.17 1kpa n LEU 88 Cb 0.07 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1kpa n LEU 88 CO 0.11 0.74 -0.03 0.61 -1.33 0.00 0.00 177.39 177.49 1kpa n GLY 89 N 0.72 0.63 2.47 -0.72 0.00 -0.80 -4.95 105.19 102.53 1kpa n GLY 89 Ca 0.13 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.36 7.80 0.16 0.99 4.77 -0.98 -4.64 117.00 124.75 1kpa n LEU 90 Ca -0.03 -4.13 0.13 0.00 -0.03 0.00 0.00 56.01 51.95 1kpa n LEU 90 Cb 0.13 -1.53 0.38 0.00 -2.33 0.00 0.00 43.42 40.07 1kpa n LEU 90 CO 0.05 1.62 0.87 -0.55 -1.33 0.00 0.00 177.39 178.05 1kpa h ASN 91 N 5.46 0.00 -0.28 -1.43 7.08 -1.90 -3.18 115.58 121.33 1kpa h ASN 91 Ca 0.75 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.97 1kpa h ASN 91 Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.61 1kpa h ASN 91 CO 1.79 0.00 0.00 0.29 -2.08 0.00 0.00 177.43 177.43 1kpa n LYS 92 N -2.62 2.00 0.00 4.14 5.02 -1.26 -5.05 118.16 120.39 1kpa n LYS 92 Ca 0.04 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.81 1kpa n LYS 92 Cb 0.42 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.25 1.78 3.83 0.72 0.00 -1.20 -5.08 105.19 106.48 1kpa n GLY 93 Ca 0.17 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.89 0.01 -0.07 1.61 -0.85 -1.26 -4.47 117.35 110.43 1kpa s TYR 94 Ca 0.00 -0.44 0.03 0.00 -0.52 0.00 0.00 57.07 56.14 1kpa s TYR 94 Cb 0.00 0.71 0.01 0.00 0.38 0.00 0.00 41.96 43.06 1kpa s TYR 94 CO 0.00 -1.05 -0.15 0.50 -1.52 0.00 0.00 175.55 173.34 1kpa s ARG 95 N -2.63 1.90 -0.15 -3.49 3.52 0.62 -4.94 118.95 113.79 1kpa s ARG 95 Ca 0.17 -0.52 -0.06 0.00 -0.13 0.00 0.00 55.73 55.19 1kpa s ARG 95 Cb -0.03 -1.55 -0.04 0.00 -1.56 0.00 0.00 34.95 31.77 1kpa s ARG 95 CO 0.06 0.09 0.07 -1.64 -0.81 0.00 0.00 175.30 173.07 1kpa s MET 96 N 0.49 3.66 -0.01 5.12 -1.94 -1.26 -0.66 119.30 124.70 1kpa s MET 96 Ca -0.13 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 1kpa s MET 96 Cb -0.15 -3.14 0.01 0.00 2.01 0.00 0.00 34.83 33.56 1kpa s MET 96 CO 0.04 0.49 0.00 0.08 -0.01 0.00 0.00 175.02 175.62 1kpa s VAL 97 N -0.23 0.06 -0.08 -6.03 1.01 -0.35 -4.96 120.40 109.82 1kpa s VAL 97 Ca 0.08 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1kpa s VAL 97 Cb -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1kpa s VAL 97 CO 0.01 0.07 -0.20 -0.69 0.00 0.00 0.00 175.10 174.29 1kpa s VAL 98 N 0.53 1.73 -0.10 2.92 1.01 -1.26 -1.11 120.40 124.12 1kpa s VAL 98 Ca -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1kpa s VAL 98 Cb -0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1kpa s VAL 98 CO -0.01 0.49 -0.02 0.20 0.00 0.00 0.00 175.10 175.75 1kpa s ASN 99 N 0.30 5.01 -0.12 3.32 0.01 -1.26 -5.08 114.94 117.11 1kpa s ASN 99 Ca -0.13 0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.07 1kpa s ASN 99 Cb -0.16 -1.50 0.01 0.00 0.41 0.00 0.00 41.25 40.02 1kpa s ASN 99 CO 0.06 0.32 -0.17 -0.70 -1.51 0.00 0.00 177.10 175.10 1kpa s GLU 100 N -0.51 2.40 2.27 -0.60 2.56 -1.26 -4.65 118.70 118.91 1kpa s GLU 100 Ca 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 54.97 54.43 1kpa s GLU 100 Cb -0.12 -2.04 0.00 0.00 2.00 0.00 0.00 34.13 33.97 1kpa s GLU 100 CO 0.02 -0.08 0.00 0.41 -0.56 0.00 0.00 175.26 175.05 1kpa n GLY 101 N 4.26 -0.40 0.07 -1.50 0.00 -1.26 -2.21 105.19 104.16 1kpa n GLY 101 Ca -0.19 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1kpa n GLY 101 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kpa h SER 102 N 0.00 -0.07 0.49 1.61 0.02 -1.96 -1.46 113.55 112.17 1kpa h SER 102 Ca 0.00 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1kpa h SER 102 Cb 0.00 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1kpa h SER 102 CO 0.00 0.11 -0.19 0.44 -1.14 0.00 0.00 176.83 176.05 1kpa h ASP 103 N -0.24 0.00 1.30 3.07 3.32 -1.99 -2.27 116.42 119.61 1kpa h ASP 103 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1kpa h ASP 103 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1kpa h ASP 103 CO 0.01 0.19 -0.22 1.23 -1.72 0.00 0.00 179.24 178.73 1kpa h GLY 104 N 1.16 0.00 -0.99 2.75 0.00 -1.26 -3.48 103.07 101.25 1kpa h GLY 104 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1kpa h GLY 104 CO 0.02 0.00 -0.14 0.61 0.00 0.00 0.00 176.54 177.04 1kpa n GLY 105 N 1.30 0.24 3.71 4.60 0.00 -0.65 -4.44 105.19 109.95 1kpa n GLY 105 Ca 0.05 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.45 4.29 -0.00 1.61 0.74 -0.65 -4.91 119.66 116.29 1kpa s GLN 106 Ca 0.03 2.11 0.21 0.00 0.05 0.00 0.00 55.36 57.76 1kpa s GLN 106 Cb -0.01 -3.36 -0.22 0.00 1.10 0.00 0.00 33.01 30.51 1kpa s GLN 106 CO 0.03 -0.52 0.88 -1.13 -0.55 0.00 0.00 175.29 174.00 1kpa n SER 107 N 4.51 0.90 -3.78 6.67 3.41 -1.26 -4.84 113.62 119.23 1kpa n SER 107 Ca 0.13 -0.90 -0.13 0.00 -0.26 0.00 0.00 58.87 57.71 1kpa n SER 107 Cb 0.42 1.06 -0.13 0.00 -0.26 0.00 0.00 64.21 65.30 1kpa n SER 107 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1kpa s VAL 108 N -3.04 -0.02 -1.16 -3.33 1.01 -1.26 -5.06 120.40 107.54 1kpa s VAL 108 Ca 0.07 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 1kpa s VAL 108 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 1kpa s VAL 108 CO 0.87 0.03 2.84 -1.22 0.00 0.00 0.00 175.10 177.62 1kpa n TYR 109 N 3.51 2.04 -3.58 5.22 4.01 -1.26 -4.66 117.16 122.45 1kpa n TYR 109 Ca -0.18 -2.64 -0.14 0.00 -0.16 0.00 0.00 57.90 54.77 1kpa n TYR 109 Cb 0.56 -2.01 -0.12 0.00 -0.31 0.00 0.00 39.34 37.45 1kpa n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1kpa s HIS 110 N 0.39 -0.44 0.05 -0.72 2.46 -1.11 -4.09 115.29 111.84 1kpa s HIS 110 Ca 0.63 0.77 -0.38 0.00 0.47 0.00 0.00 55.06 56.55 1kpa s HIS 110 Cb 0.23 -0.11 -0.18 0.00 -0.13 0.00 0.00 32.58 32.39 1kpa s HIS 110 CO -0.08 -0.47 1.24 0.28 -2.47 0.00 0.00 174.74 173.24 1kpa n VAL 111 N 5.35 0.00 -3.75 0.89 0.31 0.90 -4.92 118.33 117.10 1kpa n VAL 111 Ca -0.06 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.14 1kpa n VAL 111 Cb 0.50 -0.52 -0.10 0.00 -0.91 0.00 0.00 33.84 32.80 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 0.31 -0.35 -0.22 3.52 -3.43 -1.26 -4.12 115.29 109.75 1kpa s HIS 112 Ca 0.87 0.82 -0.07 0.00 -0.80 0.00 0.00 55.06 55.87 1kpa s HIS 112 Cb -1.07 0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 30.17 1kpa s HIS 112 CO 0.51 -0.22 0.06 -1.17 -2.00 0.00 0.00 174.74 171.91 1kpa s LEU 113 N -0.10 3.58 0.15 5.38 2.96 -0.53 -4.55 118.68 125.58 1kpa s LEU 113 Ca -0.03 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.69 1kpa s LEU 113 Cb -0.03 -1.93 -0.07 0.00 0.50 0.00 0.00 46.19 44.66 1kpa s LEU 113 CO 0.01 0.06 0.49 -1.00 -1.32 0.00 0.00 176.35 174.60 1kpa s HIS 114 N 1.02 3.55 -0.08 5.38 3.76 -0.27 -1.45 115.29 127.20 1kpa s HIS 114 Ca 0.04 0.90 -0.01 0.00 -0.15 0.00 0.00 55.06 55.84 1kpa s HIS 114 Cb -0.14 -2.26 0.03 0.00 1.11 0.00 0.00 32.58 31.32 1kpa s HIS 114 CO 0.03 0.42 -0.03 0.08 -0.85 0.00 0.00 174.74 174.39 1kpa s VAL 115 N -1.54 0.60 -0.02 -0.90 1.01 -0.54 -1.21 120.40 117.79 1kpa s VAL 115 Ca 0.39 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1kpa s VAL 115 Cb -0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1kpa s VAL 115 CO 0.20 0.29 -0.16 -0.76 0.00 0.00 0.00 175.10 174.66 1kpa s LEU 116 N 1.75 1.97 0.00 3.92 1.02 0.16 -1.67 118.68 125.83 1kpa s LEU 116 Ca 0.03 -0.31 -0.16 0.00 0.02 0.00 0.00 54.13 53.70 1kpa s LEU 116 Cb -0.13 -0.89 0.06 0.00 0.02 0.00 0.00 46.19 45.26 1kpa s LEU 116 CO -0.05 0.18 0.80 0.61 0.02 0.00 0.00 176.35 177.90 1kpa n GLY 117 N 2.88 0.82 0.00 -3.19 0.00 -0.56 -0.27 105.19 104.87 1kpa n GLY 117 Ca -0.16 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 0.43 3.57 -0.02 0.00 -1.26 -1.46 105.19 105.90 1kpa n GLY 118 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.87 1.29 0.01 1.61 1.70 -1.26 -4.63 118.95 116.81 1kpa s ARG 119 Ca 0.00 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.38 1kpa s ARG 119 Cb 0.00 0.53 -0.07 0.00 -0.57 0.00 0.00 34.95 34.84 1kpa s ARG 119 CO 0.00 -0.58 1.61 -1.14 -1.08 0.00 0.00 175.30 174.11 1kpa s GLN 120 N -3.61 4.21 0.20 3.89 2.00 -1.26 -4.99 119.66 120.10 1kpa s GLN 120 Ca 0.05 2.21 -0.15 0.00 -2.00 0.00 0.00 55.36 55.48 1kpa s GLN 120 Cb -0.02 -3.73 -0.08 0.00 0.80 0.00 0.00 33.01 29.99 1kpa s GLN 120 CO -0.06 -0.74 0.61 -1.64 -0.50 0.00 0.00 175.29 172.96 1kpa s MET 121 N 3.07 4.01 0.33 1.67 -1.94 -1.26 -5.07 119.30 120.11 1kpa s MET 121 Ca 0.72 0.56 0.07 0.00 -1.71 0.00 0.00 55.69 55.33 1kpa s MET 121 Cb -0.36 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 33.65 1kpa s MET 121 CO 0.30 0.39 0.33 -1.01 -0.01 0.00 0.00 175.02 175.02 1kpa s HIS 122 N -1.60 2.96 -0.03 -0.03 0.09 -1.26 -5.13 115.29 110.29 1kpa s HIS 122 Ca 0.43 -0.28 0.06 0.00 -0.00 0.00 0.00 55.06 55.27 1kpa s HIS 122 Cb -0.14 -1.83 -0.01 0.00 -0.00 0.00 0.00 32.58 30.60 1kpa s HIS 122 CO 0.20 0.15 -0.21 -0.46 -0.00 0.00 0.00 174.74 174.42 1kpa s TRP 123 N -2.27 2.03 0.83 1.40 -0.11 -1.26 -4.04 118.94 115.52 1kpa s TRP 123 Ca 0.41 -0.50 -0.11 0.00 1.22 0.00 0.00 56.10 57.12 1kpa s TRP 123 Cb -0.07 -1.33 0.09 0.00 -1.50 0.00 0.00 33.47 30.67 1kpa s TRP 123 CO 0.27 -0.12 1.09 -1.25 -4.62 0.00 0.00 176.95 172.33 1kpa s PRO 124 N -0.27 1.81 0.00 5.86 0.04 -1.26 -5.05 135.00 136.13 1kpa s PRO 124 Ca 0.02 0.93 -0.04 0.00 0.04 0.00 0.00 61.00 61.95 1kpa s PRO 124 Cb -0.11 -1.86 -0.19 0.00 0.04 0.00 0.00 34.50 32.38 1kpa s PRO 124 CO 0.01 -1.89 2.87 -0.35 0.04 0.00 0.00 177.00 177.68 1kpa n PRO 125 N -3.66 1.53 0.00 0.56 -0.04 -1.26 -5.22 135.00 126.92 1kpa n PRO 125 Ca 0.08 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1kpa n PRO 125 Cb 0.54 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1kpa n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87