#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rhn s PRO 13 N 0.00 3.64 0.00 -0.14 0.02 -1.26 -5.02 135.00 132.25 3rhn s PRO 13 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 61.00 61.42 3rhn s PRO 13 Cb 0.00 -2.32 0.00 0.00 0.02 0.00 0.00 34.50 32.20 3rhn s PRO 13 CO 0.00 -0.21 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 3rhn n GLY 14 N -2.00 1.98 0.00 0.52 0.00 -1.26 -4.80 105.19 99.64 3rhn n GLY 14 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3rhn n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rhn n GLY 15 N -0.28 1.57 1.26 -0.02 0.00 -1.26 -3.85 105.19 102.61 3rhn n GLY 15 Ca 0.00 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.11 3rhn n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3rhn n ASP 16 N 0.00 3.69 -4.50 1.61 9.92 -1.26 -4.30 116.55 121.71 3rhn n ASP 16 Ca 0.00 -1.99 -0.26 0.00 -0.53 0.00 0.00 54.79 52.01 3rhn n ASP 16 Cb 0.00 -0.41 0.13 0.00 -0.64 0.00 0.00 41.12 40.20 3rhn n ASP 16 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3rhn s THR 17 N -1.18 2.08 0.46 -3.53 -4.23 -1.26 -4.92 115.64 103.07 3rhn s THR 17 Ca 0.45 -0.41 0.25 0.00 -1.18 0.00 0.00 61.69 60.81 3rhn s THR 17 Cb 0.24 -2.68 0.29 0.00 1.34 0.00 0.00 72.50 71.69 3rhn s THR 17 CO 0.32 0.00 2.10 0.16 -0.54 0.00 0.00 174.62 176.66 3rhn h ILE 18 N -0.89 0.67 -0.32 2.99 -0.00 -1.98 -1.26 117.51 116.72 3rhn h ILE 18 Ca -0.39 -0.42 -0.06 0.00 -0.00 0.00 0.00 64.86 63.99 3rhn h ILE 18 Cb 1.26 1.26 -0.02 0.00 -0.00 0.00 0.00 36.82 39.32 3rhn h ILE 18 CO 0.39 0.10 -0.07 -0.26 -0.00 0.00 0.00 178.15 178.32 3rhn h PHE 19 N 0.00 0.54 -0.49 0.16 -1.00 -1.92 -0.77 116.94 113.45 3rhn h PHE 19 Ca -0.00 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.61 3rhn h PHE 19 Cb 0.25 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 3rhn h PHE 19 CO 0.00 0.58 -0.10 0.78 -1.61 0.00 0.00 178.31 177.96 3rhn h GLY 20 N 0.88 0.97 1.39 -1.45 0.00 -1.34 -0.89 103.07 102.65 3rhn h GLY 20 Ca 0.10 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 3rhn h GLY 20 CO 0.02 0.69 -0.05 0.50 0.00 0.00 0.00 176.54 177.70 3rhn h LYS 21 N 0.81 0.73 -0.24 4.80 1.57 -1.23 -1.46 116.57 121.54 3rhn h LYS 21 Ca 0.13 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3rhn h LYS 21 Cb 0.62 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3rhn h LYS 21 CO 0.04 0.78 -0.04 0.82 -0.57 0.00 0.00 179.45 180.48 3rhn h ILE 22 N 0.68 1.28 -0.98 1.86 2.04 -0.74 0.16 117.51 121.80 3rhn h ILE 22 Ca 0.13 -1.02 0.05 0.00 1.00 0.00 0.00 64.86 65.02 3rhn h ILE 22 Cb 0.49 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 3rhn h ILE 22 CO 0.03 0.32 0.64 0.40 0.00 0.00 0.00 178.15 179.53 3rhn h ILE 23 N 0.21 1.14 -0.07 -0.67 2.04 -0.94 0.30 117.51 119.52 3rhn h ILE 23 Ca 0.06 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3rhn h ILE 23 Cb 0.49 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3rhn h ILE 23 CO 0.02 0.22 0.00 0.54 0.00 0.00 0.00 178.15 178.93 3rhn n ARG 24 N -4.46 1.40 -2.28 2.37 1.74 -0.57 -4.92 116.66 109.94 3rhn n ARG 24 Ca 0.14 -0.59 -0.19 0.00 -0.77 0.00 0.00 57.85 56.44 3rhn n ARG 24 Cb 0.13 -1.38 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 3rhn n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3rhn n LYS 25 N -0.22 -1.51 0.10 5.56 4.01 0.09 -4.89 118.16 121.31 3rhn n LYS 25 Ca 0.17 0.96 0.01 0.00 -0.51 0.00 0.00 58.31 58.94 3rhn n LYS 25 Cb 0.22 -5.50 -0.01 0.00 -0.51 0.00 0.00 35.03 29.23 3rhn n LYS 25 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 3rhn h GLU 26 N 0.00 0.00 -4.12 1.97 5.08 -0.96 -3.44 114.58 113.10 3rhn h GLU 26 Ca -0.45 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.61 3rhn h GLU 26 Cb 1.33 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.29 3rhn h GLU 26 CO 0.54 0.45 -0.75 0.96 -1.00 0.00 0.00 179.01 179.22 3rhn s ILE 27 N -2.94 0.30 0.63 3.13 -4.36 -1.22 -5.02 121.20 111.71 3rhn s ILE 27 Ca 0.02 -0.15 -0.16 0.00 -0.26 0.00 0.00 60.65 60.10 3rhn s ILE 27 Cb 0.08 -0.27 -0.02 0.00 1.25 0.00 0.00 42.46 43.51 3rhn s ILE 27 CO 0.77 0.09 1.10 -2.16 0.24 0.00 0.00 174.94 174.99 3rhn s PRO 28 N 0.01 2.98 0.09 0.37 0.04 -1.26 -4.39 135.00 132.84 3rhn s PRO 28 Ca 0.00 1.39 -0.19 0.00 0.04 0.00 0.00 61.00 62.24 3rhn s PRO 28 Cb -0.03 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.58 3rhn s PRO 28 CO -0.00 -1.11 0.46 0.00 0.04 0.00 0.00 177.00 176.39 3rhn s ALA 29 N -2.28 -1.14 -0.96 8.56 0.00 -1.26 -5.03 121.76 119.65 3rhn s ALA 29 Ca 0.67 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.70 3rhn s ALA 29 Cb -0.20 0.56 0.10 0.00 0.00 0.00 0.00 23.12 23.59 3rhn s ALA 29 CO 0.38 -0.58 1.23 0.15 0.00 0.00 0.00 175.76 176.94 3rhn s LYS 30 N -3.16 3.60 -0.14 0.00 1.02 -1.26 -4.98 119.74 114.82 3rhn s LYS 30 Ca -0.01 -1.56 -0.29 0.00 0.02 0.00 0.00 55.97 54.13 3rhn s LYS 30 Cb 0.00 -5.06 -0.01 0.00 -0.52 0.00 0.00 37.83 32.24 3rhn s LYS 30 CO -0.07 -1.92 1.12 0.42 -0.92 0.00 0.00 175.35 173.98 3rhn s ILE 31 N 3.43 4.50 -0.14 2.17 1.01 -1.26 -0.97 121.20 129.94 3rhn s ILE 31 Ca 0.37 1.81 -0.07 0.00 0.00 0.00 0.00 60.65 62.76 3rhn s ILE 31 Cb -0.03 -4.16 -0.25 0.00 0.01 0.00 0.00 42.46 38.03 3rhn s ILE 31 CO -0.10 -0.08 0.29 -0.38 0.00 0.00 0.00 174.94 174.67 3rhn n ILE 32 N 4.96 1.73 -3.50 2.92 5.41 -0.05 -4.98 119.36 125.85 3rhn n ILE 32 Ca 0.11 -0.59 -0.15 0.00 1.00 0.00 0.00 62.75 63.12 3rhn n ILE 32 Cb 0.46 -1.73 -0.05 0.00 -0.71 0.00 0.00 39.64 37.62 3rhn n ILE 32 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 3rhn s PHE 33 N -2.54 -0.56 -0.23 1.39 5.36 -1.19 -5.01 117.98 115.21 3rhn s PHE 33 Ca -0.24 0.70 -0.18 0.00 -0.96 0.00 0.00 56.93 56.24 3rhn s PHE 33 Cb 0.07 0.44 0.06 0.00 -0.34 0.00 0.00 43.02 43.25 3rhn s PHE 33 CO 0.73 -0.70 0.60 -2.00 -1.46 0.00 0.00 175.22 172.39 3rhn s GLU 34 N -2.35 0.66 0.00 10.12 2.12 -1.26 -1.00 118.70 126.99 3rhn s GLU 34 Ca -0.06 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.19 3rhn s GLU 34 Cb -0.01 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.63 3rhn s GLU 34 CO -0.01 -0.11 0.00 -0.40 -0.54 0.00 0.00 175.26 174.21 3rhn n ASP 35 N 3.33 0.43 0.29 -1.70 5.68 -0.75 -5.02 116.55 118.80 3rhn n ASP 35 Ca -0.17 -0.56 0.18 0.00 -0.50 0.00 0.00 54.79 53.75 3rhn n ASP 35 Cb 0.56 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.33 3rhn n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3rhn h ASP 36 N 0.00 0.00 0.00 -1.12 2.03 -2.04 -3.31 116.42 111.98 3rhn h ASP 36 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 3rhn h ASP 36 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 3rhn h ASP 36 CO 0.00 0.01 -1.77 0.00 -1.03 0.00 0.00 179.24 176.45 3rhn n GLN 37 N -3.11 1.37 -3.94 4.15 6.02 -1.26 -4.89 117.38 115.72 3rhn n GLN 37 Ca -0.00 -0.05 -0.14 0.00 -0.01 0.00 0.00 57.00 56.80 3rhn n GLN 37 Cb 0.26 -1.32 -0.02 0.00 1.02 0.00 0.00 30.24 30.18 3rhn n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3rhn s LEU 39 N 0.00 1.03 -0.07 0.00 0.20 -0.62 -1.81 118.68 117.41 3rhn s LEU 39 Ca 0.27 0.36 0.03 0.00 0.69 0.00 0.00 54.13 55.48 3rhn s LEU 39 Cb -0.02 0.95 0.00 0.00 -0.43 0.00 0.00 46.19 46.69 3rhn s LEU 39 CO 0.19 -0.19 -0.18 0.00 -0.29 0.00 0.00 176.35 175.88 3rhn s ALA 40 N -0.32 1.68 0.06 5.97 0.00 -0.17 -1.03 121.76 127.95 3rhn s ALA 40 Ca -0.04 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.11 3rhn s ALA 40 Cb -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.45 3rhn s ALA 40 CO 0.01 0.23 0.24 -0.59 0.00 0.00 0.00 175.76 175.64 3rhn s PHE 41 N 0.37 0.03 0.38 0.00 -0.71 -0.65 -0.87 117.98 116.53 3rhn s PHE 41 Ca -0.13 -0.30 -0.26 0.00 -1.04 0.00 0.00 56.93 55.20 3rhn s PHE 41 Cb -0.16 0.01 -0.09 0.00 -1.21 0.00 0.00 43.02 41.58 3rhn s PHE 41 CO 0.05 -0.51 1.14 -1.01 -1.34 0.00 0.00 175.22 173.56 3rhn s HIS 42 N -3.07 3.17 0.22 3.49 3.76 -0.14 -1.04 115.29 121.68 3rhn s HIS 42 Ca -0.01 1.59 -0.30 0.00 -0.15 0.00 0.00 55.06 56.19 3rhn s HIS 42 Cb 0.01 -3.34 -0.08 0.00 1.11 0.00 0.00 32.58 30.28 3rhn s HIS 42 CO -0.07 -1.11 1.14 0.34 -0.85 0.00 0.00 174.74 174.20 3rhn s ASP 43 N -1.16 7.19 0.56 1.40 -1.08 -0.16 -4.65 116.67 118.77 3rhn s ASP 43 Ca 0.55 2.22 0.34 0.00 -0.52 0.00 0.00 52.55 55.14 3rhn s ASP 43 Cb -0.30 -2.61 1.47 0.00 -1.46 0.00 0.00 42.92 40.02 3rhn s ASP 43 CO 0.37 -0.25 2.03 -0.29 0.52 0.00 0.00 175.17 177.54 3rhn h ILE 44 N 3.50 0.06 -2.49 4.11 2.10 -1.94 -3.31 117.51 119.54 3rhn h ILE 44 Ca -0.45 -0.49 -0.60 0.00 1.08 0.00 0.00 64.86 64.40 3rhn h ILE 44 Cb 1.21 1.46 -0.40 0.00 -1.09 0.00 0.00 36.82 38.00 3rhn h ILE 44 CO 0.71 0.02 -0.80 -1.20 -1.08 0.00 0.00 178.15 175.80 3rhn n SER 45 N -3.13 1.54 -4.72 2.19 7.64 -1.26 -5.12 113.62 110.75 3rhn n SER 45 Ca 0.00 -2.90 -0.42 0.00 1.01 0.00 0.00 58.87 56.56 3rhn n SER 45 Cb 0.28 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.82 3rhn n SER 45 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3rhn n PRO 46 N 1.92 2.39 -0.14 1.43 -0.02 -1.25 -4.91 135.00 134.42 3rhn n PRO 46 Ca 0.25 0.84 0.07 0.00 -2.02 0.00 0.00 63.50 62.64 3rhn n PRO 46 Cb 0.44 -2.53 0.14 0.00 -0.02 0.00 0.00 33.50 31.53 3rhn n PRO 46 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3rhn n GLN 47 N 1.25 2.17 -3.79 -0.52 1.13 -1.26 -4.98 117.38 111.38 3rhn n GLN 47 Ca 0.06 -1.87 -0.08 0.00 -1.94 0.00 0.00 57.00 53.18 3rhn n GLN 47 Cb 0.36 -1.30 -0.02 0.00 0.11 0.00 0.00 30.24 29.39 3rhn n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3rhn s ALA 48 N -1.04 -1.29 0.33 -1.58 0.00 -1.26 -5.04 121.76 111.88 3rhn s ALA 48 Ca 0.24 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.09 3rhn s ALA 48 Cb 0.13 0.85 0.73 0.00 0.00 0.00 0.00 23.12 24.83 3rhn s ALA 48 CO 0.18 -1.00 1.85 -1.35 0.00 0.00 0.00 175.76 175.45 3rhn h PRO 49 N 2.00 0.77 -4.94 0.00 0.11 -1.82 -3.37 132.00 124.75 3rhn h PRO 49 Ca -0.21 -0.05 -0.65 0.00 0.11 0.00 0.00 66.00 65.20 3rhn h PRO 49 Cb 1.26 -0.17 -0.35 0.00 0.11 0.00 0.00 31.00 31.84 3rhn h PRO 49 CO 0.25 0.51 -0.85 0.99 -0.21 0.00 0.00 178.00 178.69 3rhn s THR 50 N -5.77 1.89 -0.28 -1.15 2.01 -0.59 -5.02 115.64 106.73 3rhn s THR 50 Ca -0.11 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 3rhn s THR 50 Cb 0.22 -1.72 0.14 0.00 0.01 0.00 0.00 72.50 71.14 3rhn s THR 50 CO 0.80 0.51 0.30 -2.28 -0.69 0.00 0.00 174.62 173.26 3rhn s HIS 51 N 1.31 -0.51 0.40 4.92 5.04 -1.25 -1.20 115.29 124.00 3rhn s HIS 51 Ca 0.04 -0.09 0.06 0.00 -1.54 0.00 0.00 55.06 53.54 3rhn s HIS 51 Cb -0.13 -0.42 -0.08 0.00 0.04 0.00 0.00 32.58 31.99 3rhn s HIS 51 CO -0.11 -0.90 0.02 -0.59 -2.34 0.00 0.00 174.74 170.81 3rhn s PHE 52 N 2.38 2.43 0.03 3.88 -0.71 -0.41 -0.99 117.98 124.59 3rhn s PHE 52 Ca 0.09 -0.72 0.08 0.00 -1.04 0.00 0.00 56.93 55.35 3rhn s PHE 52 Cb -0.14 -1.71 -0.02 0.00 -1.21 0.00 0.00 43.02 39.94 3rhn s PHE 52 CO -0.31 0.39 -0.23 -0.51 -1.34 0.00 0.00 175.22 173.22 3rhn s LEU 53 N -3.69 2.14 -0.21 -1.99 1.43 -0.20 -0.81 118.68 115.35 3rhn s LEU 53 Ca 0.34 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3rhn s LEU 53 Cb 0.10 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.23 3rhn s LEU 53 CO 0.17 0.21 -0.13 -0.69 0.23 0.00 0.00 176.35 176.14 3rhn s VAL 54 N -0.74 2.54 0.09 -1.59 1.01 0.02 -1.63 120.40 120.09 3rhn s VAL 54 Ca 0.09 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.26 3rhn s VAL 54 Cb -0.09 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3rhn s VAL 54 CO 0.01 0.41 -0.23 0.27 0.00 0.00 0.00 175.10 175.56 3rhn s ILE 55 N 1.33 1.91 0.51 2.22 -4.36 -0.20 -1.32 121.20 121.29 3rhn s ILE 55 Ca 0.03 -1.49 -0.15 0.00 -0.26 0.00 0.00 60.65 58.78 3rhn s ILE 55 Cb -0.14 -1.69 -0.07 0.00 1.25 0.00 0.00 42.46 41.81 3rhn s ILE 55 CO -0.09 0.11 0.96 -2.16 0.24 0.00 0.00 174.94 174.00 3rhn s PRO 56 N -1.66 3.88 0.30 0.37 0.04 -1.26 -1.59 135.00 135.08 3rhn s PRO 56 Ca 0.09 0.85 0.16 0.00 0.04 0.00 0.00 61.00 62.15 3rhn s PRO 56 Cb -0.10 -2.17 0.21 0.00 0.04 0.00 0.00 34.50 32.48 3rhn s PRO 56 CO 0.04 -0.27 1.51 0.87 0.04 0.00 0.00 177.00 179.19 3rhn h LYS 57 N 0.81 0.00 -6.40 4.56 1.57 -1.34 -3.44 116.57 112.33 3rhn h LYS 57 Ca -0.46 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.77 3rhn h LYS 57 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3rhn h LYS 57 CO 0.62 0.47 0.39 0.21 -0.57 0.00 0.00 179.45 180.57 3rhn s LYS 58 N -3.09 4.54 -0.28 3.15 2.20 -1.26 -4.05 119.74 120.95 3rhn s LYS 58 Ca 0.03 1.43 -0.29 0.00 -0.36 0.00 0.00 55.97 56.79 3rhn s LYS 58 Cb 0.08 -3.46 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3rhn s LYS 58 CO 0.73 -0.08 1.13 -1.58 -0.36 0.00 0.00 175.35 175.19 3rhn s HIS 59 N 1.09 3.08 -0.13 4.03 5.65 -1.26 -4.93 115.29 122.81 3rhn s HIS 59 Ca 0.52 1.17 0.01 0.00 0.25 0.00 0.00 55.06 57.01 3rhn s HIS 59 Cb -0.21 -3.63 0.02 0.00 -1.18 0.00 0.00 32.58 27.57 3rhn s HIS 59 CO 0.27 -0.97 -0.13 0.42 -0.65 0.00 0.00 174.74 173.68 3rhn s ILE 60 N 3.67 1.47 0.27 0.89 1.01 -1.26 -5.05 121.20 122.21 3rhn s ILE 60 Ca 0.48 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.61 3rhn s ILE 60 Cb -0.14 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.95 3rhn s ILE 60 CO 0.15 0.44 1.64 0.77 0.00 0.00 0.00 174.94 177.94 3rhn h SER 61 N 7.89 0.20 -5.07 3.58 4.64 -1.94 0.27 113.55 123.13 3rhn h SER 61 Ca -0.35 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 3rhn h SER 61 Cb 1.15 -0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 63.03 3rhn h SER 61 CO 0.50 0.68 -0.15 -1.10 -0.87 0.00 0.00 176.83 175.89 3rhn s GLN 62 N -3.92 0.95 0.47 4.77 -0.21 -1.26 -3.03 119.66 117.43 3rhn s GLN 62 Ca -0.04 -0.60 0.27 0.00 0.02 0.00 0.00 55.36 55.01 3rhn s GLN 62 Cb 0.13 0.42 0.95 0.00 1.00 0.00 0.00 33.01 35.51 3rhn s GLN 62 CO 0.78 -0.34 1.83 0.97 -2.12 0.00 0.00 175.29 176.41 3rhn h ILE 63 N 2.76 0.32 0.00 1.08 6.09 -1.90 -2.12 117.51 123.74 3rhn h ILE 63 Ca -0.33 -0.96 -0.01 0.00 -1.37 0.00 0.00 64.86 62.19 3rhn h ILE 63 Cb 1.22 1.74 -0.00 0.00 0.47 0.00 0.00 36.82 40.26 3rhn h ILE 63 CO 0.47 0.13 -0.05 0.77 -3.07 0.00 0.00 178.15 176.41 3rhn h SER 64 N 0.00 0.00 0.25 2.19 4.64 -1.98 -3.03 113.55 115.61 3rhn h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3rhn h SER 64 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3rhn h SER 64 CO 0.02 0.05 -0.47 0.00 -0.87 0.00 0.00 176.83 175.56 3rhn n ALA 65 N -2.11 3.53 -1.76 5.18 0.00 -0.81 -4.96 120.51 119.58 3rhn n ALA 65 Ca 0.02 -0.45 -0.39 0.00 0.00 0.00 0.00 53.44 52.62 3rhn n ALA 65 Cb 0.44 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3rhn n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3rhn s ALA 66 N -2.72 3.15 0.51 0.00 0.00 -1.15 -4.95 121.76 116.60 3rhn s ALA 66 Ca 0.17 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.41 3rhn s ALA 66 Cb 0.18 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.83 3rhn s ALA 66 CO 0.63 -0.93 0.71 -1.21 0.00 0.00 0.00 175.76 174.96 3rhn s GLU 67 N -2.43 2.62 0.54 0.00 2.02 -1.26 -4.97 118.70 115.22 3rhn s GLU 67 Ca 0.60 -0.98 0.22 0.00 0.02 0.00 0.00 54.97 54.83 3rhn s GLU 67 Cb -0.38 -2.59 1.46 0.00 0.10 0.00 0.00 34.13 32.73 3rhn s GLU 67 CO 0.48 -0.58 2.17 -0.44 0.02 0.00 0.00 175.26 176.91 3rhn h ASP 68 N 0.26 0.00 1.20 -0.19 3.32 -2.02 -1.04 116.42 117.95 3rhn h ASP 68 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3rhn h ASP 68 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3rhn h ASP 68 CO 0.49 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 3rhn h ALA 69 N 1.97 1.00 -0.18 3.45 0.00 -2.03 -3.08 119.26 120.40 3rhn h ALA 69 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3rhn h ALA 69 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3rhn h ALA 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3rhn n ASP 70 N -2.33 1.61 0.01 0.00 8.00 -0.39 -4.45 116.55 119.00 3rhn n ASP 70 Ca 0.04 -1.73 -0.10 0.00 0.71 0.00 0.00 54.79 53.72 3rhn n ASP 70 Cb 0.35 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 3rhn n ASP 70 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3rhn h GLU 71 N 2.09 -0.20 -0.43 -1.24 4.81 -1.63 -0.70 114.58 117.28 3rhn h GLU 71 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3rhn h GLU 71 Cb 0.46 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3rhn h GLU 71 CO 0.00 -0.13 0.19 0.77 -0.73 0.00 0.00 179.01 179.11 3rhn h SER 72 N -0.21 0.58 -0.42 1.04 0.02 -1.86 -1.42 113.55 111.28 3rhn h SER 72 Ca 0.08 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3rhn h SER 72 Cb 0.33 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 3rhn h SER 72 CO -0.22 0.57 0.14 0.25 -1.14 0.00 0.00 176.83 176.43 3rhn h LEU 73 N 0.56 0.13 -0.59 5.07 5.85 -1.81 0.34 115.31 124.86 3rhn h LEU 73 Ca 0.15 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3rhn h LEU 73 Cb 0.16 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3rhn h LEU 73 CO -0.02 0.11 0.24 -0.07 -0.34 0.00 0.00 178.44 178.36 3rhn h LEU 74 N 0.30 0.81 -1.40 2.25 3.38 -0.94 -1.46 115.31 118.24 3rhn h LEU 74 Ca 0.20 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3rhn h LEU 74 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3rhn h LEU 74 CO -0.21 0.76 -0.30 1.23 0.09 0.00 0.00 178.44 180.01 3rhn h GLY 75 N 0.82 0.00 1.89 0.83 0.00 -0.62 -2.64 103.07 103.35 3rhn h GLY 75 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 3rhn h GLY 75 CO -0.02 0.00 -0.36 0.84 0.00 0.00 0.00 176.54 177.01 3rhn h HIS 76 N 0.00 0.15 -0.29 5.60 -0.00 0.71 -1.91 115.15 119.40 3rhn h HIS 76 Ca -0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.25 3rhn h HIS 76 Cb 0.56 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.92 3rhn h HIS 76 CO 0.00 0.48 -0.16 -0.07 -0.00 0.00 0.00 177.93 178.18 3rhn h LEU 77 N 0.11 0.51 -0.12 0.26 3.38 -1.05 -1.28 115.31 117.12 3rhn h LEU 77 Ca 0.01 -0.14 -0.24 0.00 0.09 0.00 0.00 57.88 57.60 3rhn h LEU 77 Cb 0.69 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3rhn h LEU 77 CO 0.05 0.69 -0.87 0.24 0.09 0.00 0.00 178.44 178.63 3rhn h MET 78 N 0.47 0.74 -0.46 1.13 2.86 -1.44 -0.85 114.93 117.39 3rhn h MET 78 Ca 0.08 -0.67 -0.07 0.00 -2.06 0.00 0.00 59.70 56.98 3rhn h MET 78 Cb 0.55 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 3rhn h MET 78 CO 0.04 1.27 0.01 0.82 1.06 0.00 0.00 176.91 180.11 3rhn h ILE 79 N 0.48 1.26 -0.40 -1.22 1.08 -1.20 -0.91 117.51 116.59 3rhn h ILE 79 Ca -0.08 -1.03 -0.08 0.00 -0.39 0.00 0.00 64.86 63.28 3rhn h ILE 79 Cb 1.51 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 3rhn h ILE 79 CO 0.18 0.36 -0.09 0.58 -0.69 0.00 0.00 178.15 178.48 3rhn h VAL 80 N 0.65 1.25 -0.59 1.67 2.07 -1.29 -2.05 116.25 117.96 3rhn h VAL 80 Ca 0.13 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 3rhn h VAL 80 Cb 0.48 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3rhn h VAL 80 CO 0.02 0.37 0.24 1.23 0.02 0.00 0.00 177.57 179.45 3rhn h GLY 81 N 0.96 0.94 1.58 2.17 0.00 -0.71 -1.43 103.07 106.59 3rhn h GLY 81 Ca 0.11 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 3rhn h GLY 81 CO 0.03 0.48 -0.45 0.07 0.00 0.00 0.00 176.54 176.67 3rhn h LYS 82 N 0.81 0.46 -0.43 4.80 2.10 -0.91 -1.97 116.57 121.44 3rhn h LYS 82 Ca 0.20 -0.25 -0.14 0.00 -2.00 0.00 0.00 60.65 58.46 3rhn h LYS 82 Cb 0.19 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 3rhn h LYS 82 CO -0.02 0.82 -0.28 0.87 -2.00 0.00 0.00 179.45 178.84 3rhn h LYS 83 N 0.38 0.94 -0.29 0.07 1.57 -1.19 -2.41 116.57 115.62 3rhn h LYS 83 Ca 0.03 -0.43 -0.13 0.00 -1.87 0.00 0.00 60.65 58.24 3rhn h LYS 83 Cb 0.93 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 3rhn h LYS 83 CO 0.08 1.09 -0.36 0.00 -0.57 0.00 0.00 179.45 179.69 3rhn h ALA 85 N 1.05 0.45 -0.69 0.00 0.00 -1.28 -1.23 119.26 117.55 3rhn h ALA 85 Ca 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3rhn h ALA 85 Cb 0.88 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3rhn h ALA 85 CO 0.08 0.07 0.14 0.00 0.00 0.00 0.00 179.25 179.53 3rhn h ALA 86 N 0.96 0.94 0.00 0.00 0.00 -1.39 0.04 119.26 119.81 3rhn h ALA 86 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3rhn h ALA 86 Cb 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3rhn h ALA 86 CO -0.01 0.67 -0.13 0.22 0.00 0.00 0.00 179.25 180.00 3rhn h ASP 87 N 1.06 0.00 -0.38 0.00 3.58 -1.23 -1.57 116.42 117.88 3rhn h ASP 87 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 3rhn h ASP 87 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 3rhn h ASP 87 CO 0.01 0.13 0.00 0.18 -2.88 0.00 0.00 179.24 176.68 3rhn n LEU 88 N -3.36 2.86 -0.07 2.28 4.77 -0.48 -4.97 117.00 118.03 3rhn n LEU 88 Ca -0.00 -1.29 -0.01 0.00 -0.03 0.00 0.00 56.01 54.68 3rhn n LEU 88 Cb 0.33 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3rhn n LEU 88 CO 0.30 0.64 -0.01 0.61 -1.33 0.00 0.00 177.39 177.61 3rhn n GLY 89 N 1.38 0.41 2.62 -0.72 0.00 -0.59 -4.95 105.19 103.33 3rhn n GLY 89 Ca 0.18 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 3rhn n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3rhn n LEU 90 N -0.10 7.51 0.14 0.99 4.77 -0.03 -4.63 117.00 125.65 3rhn n LEU 90 Ca -0.01 -4.51 0.12 0.00 -0.03 0.00 0.00 56.01 51.59 3rhn n LEU 90 Cb 0.17 -1.52 0.27 0.00 -2.33 0.00 0.00 43.42 40.01 3rhn n LEU 90 CO 0.01 1.62 0.73 0.50 -1.33 0.00 0.00 177.39 178.92 3rhn h LYS 91 N 5.38 0.00 -0.11 3.23 1.63 -1.89 -3.05 116.57 121.77 3rhn h LYS 91 Ca 0.62 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.42 3rhn h LYS 91 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3rhn h LYS 91 CO 1.70 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 179.33 3rhn n LYS 92 N -2.55 1.62 0.00 1.90 5.02 -1.26 -5.04 118.16 117.85 3rhn n LYS 92 Ca 0.04 -0.92 0.00 0.00 -2.02 0.00 0.00 58.31 55.41 3rhn n LYS 92 Cb 0.47 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3rhn n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3rhn n GLY 93 N 1.11 1.49 3.85 0.72 0.00 -1.15 -5.08 105.19 106.12 3rhn n GLY 93 Ca 0.17 -2.20 -0.05 0.00 0.00 0.00 0.00 46.02 43.94 3rhn n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3rhn s TYR 94 N -1.48 0.08 -0.04 1.61 -0.85 -1.26 -4.38 117.35 111.02 3rhn s TYR 94 Ca 0.00 -0.57 0.02 0.00 -0.52 0.00 0.00 57.07 56.00 3rhn s TYR 94 Cb 0.00 0.75 0.01 0.00 0.38 0.00 0.00 41.96 43.10 3rhn s TYR 94 CO 0.00 -1.14 -0.09 0.50 -1.52 0.00 0.00 175.55 173.30 3rhn s ARG 95 N -2.28 1.08 -0.11 -3.49 3.52 -0.35 -4.99 118.95 112.33 3rhn s ARG 95 Ca 0.19 -0.28 -0.05 0.00 -0.13 0.00 0.00 55.73 55.46 3rhn s ARG 95 Cb -0.03 -0.98 -0.04 0.00 -1.56 0.00 0.00 34.95 32.34 3rhn s ARG 95 CO 0.07 0.05 0.08 -1.64 -0.81 0.00 0.00 175.30 173.06 3rhn s MET 96 N 0.44 3.25 -0.01 5.12 -1.94 -1.26 -1.73 119.30 123.17 3rhn s MET 96 Ca -0.07 -0.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.66 3rhn s MET 96 Cb -0.11 -3.02 0.01 0.00 2.01 0.00 0.00 34.83 33.72 3rhn s MET 96 CO 0.01 0.74 0.00 0.08 -0.01 0.00 0.00 175.02 175.84 3rhn s VAL 97 N -0.94 0.05 -0.15 -6.03 1.01 -0.14 -4.95 120.40 109.26 3rhn s VAL 97 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3rhn s VAL 97 Cb -0.12 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.19 3rhn s VAL 97 CO 0.03 0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.34 3rhn s VAL 98 N 0.34 1.60 -0.17 2.92 1.01 -1.26 -0.39 120.40 124.44 3rhn s VAL 98 Ca -0.03 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 3rhn s VAL 98 Cb -0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3rhn s VAL 98 CO -0.01 0.46 0.09 0.20 0.00 0.00 0.00 175.10 175.85 3rhn s ASN 99 N 1.43 5.91 -0.17 3.32 0.01 -1.26 -5.09 114.94 119.09 3rhn s ASN 99 Ca 0.04 0.19 0.01 0.00 -0.71 0.00 0.00 52.86 52.39 3rhn s ASN 99 Cb -0.13 -1.99 0.02 0.00 0.41 0.00 0.00 41.25 39.56 3rhn s ASN 99 CO -0.10 0.22 -0.16 -0.70 -1.51 0.00 0.00 177.10 174.85 3rhn s GLU 100 N 0.08 2.55 2.11 -0.60 2.56 -1.26 -4.58 118.70 119.56 3rhn s GLU 100 Ca 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 54.97 54.34 3rhn s GLU 100 Cb -0.12 -2.33 0.00 0.00 2.00 0.00 0.00 34.13 33.68 3rhn s GLU 100 CO 0.00 -0.25 0.00 0.41 -0.56 0.00 0.00 175.26 174.86 3rhn n GLY 101 N 4.70 -0.68 0.38 -1.50 0.00 -1.26 -2.56 105.19 104.27 3rhn n GLY 101 Ca -0.18 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 3rhn n GLY 101 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3rhn h SER 102 N 0.00 -0.94 0.14 1.61 0.87 -1.95 -0.84 113.55 112.44 3rhn h SER 102 Ca 0.00 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3rhn h SER 102 Cb 0.00 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3rhn h SER 102 CO 0.00 -0.52 -0.16 0.44 -0.53 0.00 0.00 176.83 176.06 3rhn h ASP 103 N -0.80 0.03 1.72 6.23 3.32 -1.97 -1.72 116.42 123.24 3rhn h ASP 103 Ca -0.04 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3rhn h ASP 103 Cb 0.69 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 3rhn h ASP 103 CO -0.01 0.19 -0.04 1.23 -1.72 0.00 0.00 179.24 178.90 3rhn h GLY 104 N 0.53 0.00 0.00 2.75 0.00 -1.22 -3.48 103.07 101.66 3rhn h GLY 104 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3rhn h GLY 104 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 3rhn n GLY 105 N 0.85 0.76 3.75 4.60 0.00 -0.64 -4.57 105.19 109.94 3rhn n GLY 105 Ca 0.03 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3rhn n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3rhn s GLN 106 N -0.73 4.25 0.00 1.61 0.74 -0.42 -4.90 119.66 120.21 3rhn s GLN 106 Ca 0.00 2.34 0.00 0.00 0.05 0.00 0.00 55.36 57.75 3rhn s GLN 106 Cb 0.00 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.01 3rhn s GLN 106 CO 0.00 -0.45 0.00 -1.13 -0.55 0.00 0.00 175.29 173.16 3rhn n SER 107 N 2.33 4.16 -4.36 6.67 3.41 -1.26 -4.71 113.62 119.86 3rhn n SER 107 Ca 0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.34 3rhn n SER 107 Cb 0.40 0.67 -0.14 0.00 -0.26 0.00 0.00 64.21 64.88 3rhn n SER 107 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3rhn s VAL 108 N -1.73 3.41 -1.20 -3.33 1.01 -1.26 -5.01 120.40 112.29 3rhn s VAL 108 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3rhn s VAL 108 Cb 0.00 -2.52 0.09 0.00 0.00 0.00 0.00 36.38 33.96 3rhn s VAL 108 CO 0.00 0.46 2.50 -1.22 0.00 0.00 0.00 175.10 176.84 3rhn n TYR 109 N 4.24 2.41 -3.67 5.22 4.01 -1.26 -4.69 117.16 123.42 3rhn n TYR 109 Ca -0.18 -2.70 -0.13 0.00 -0.16 0.00 0.00 57.90 54.73 3rhn n TYR 109 Cb 0.52 -1.81 -0.13 0.00 -0.31 0.00 0.00 39.34 37.60 3rhn n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3rhn s HIS 110 N -0.99 -0.44 0.19 -0.72 2.46 -1.17 -4.28 115.29 110.34 3rhn s HIS 110 Ca 0.56 0.99 -0.33 0.00 0.47 0.00 0.00 55.06 56.75 3rhn s HIS 110 Cb 0.21 -0.00 -0.14 0.00 -0.13 0.00 0.00 32.58 32.52 3rhn s HIS 110 CO -0.11 -0.35 1.42 0.28 -2.47 0.00 0.00 174.74 173.51 3rhn n VAL 111 N 5.20 0.55 -3.78 0.89 0.31 0.96 -4.93 118.33 117.52 3rhn n VAL 111 Ca -0.09 -0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 63.98 3rhn n VAL 111 Cb 0.50 -1.33 -0.09 0.00 -0.91 0.00 0.00 33.84 32.01 3rhn n VAL 111 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3rhn s HIS 112 N 0.27 -0.20 -0.19 3.52 -3.43 -1.26 -4.14 115.29 109.87 3rhn s HIS 112 Ca 0.74 0.39 -0.04 0.00 -0.80 0.00 0.00 55.06 55.35 3rhn s HIS 112 Cb -0.72 0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 30.49 3rhn s HIS 112 CO 0.46 -0.31 -0.03 -1.17 -2.00 0.00 0.00 174.74 171.69 3rhn s LEU 113 N -0.89 3.10 0.10 5.38 2.96 -0.43 -4.58 118.68 124.31 3rhn s LEU 113 Ca -0.10 -0.25 -0.19 0.00 -0.22 0.00 0.00 54.13 53.37 3rhn s LEU 113 Cb -0.05 -1.77 -0.07 0.00 0.50 0.00 0.00 46.19 44.81 3rhn s LEU 113 CO 0.03 0.08 0.59 -1.00 -1.32 0.00 0.00 176.35 174.73 3rhn s HIS 114 N 0.90 3.78 -0.13 5.38 3.76 0.48 -0.80 115.29 128.66 3rhn s HIS 114 Ca -0.00 1.28 -0.01 0.00 -0.15 0.00 0.00 55.06 56.18 3rhn s HIS 114 Cb -0.15 -2.51 0.04 0.00 1.11 0.00 0.00 32.58 31.07 3rhn s HIS 114 CO 0.01 0.55 -0.03 0.08 -0.85 0.00 0.00 174.74 174.51 3rhn s VAL 115 N -1.18 0.78 0.02 -0.90 1.01 0.00 -0.97 120.40 119.17 3rhn s VAL 115 Ca 0.31 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3rhn s VAL 115 Cb -0.19 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3rhn s VAL 115 CO 0.20 0.17 -0.22 -0.76 0.00 0.00 0.00 175.10 174.48 3rhn s LEU 116 N 1.79 2.12 0.00 3.92 1.02 -0.71 -1.29 118.68 125.54 3rhn s LEU 116 Ca 0.03 -0.49 -0.20 0.00 0.02 0.00 0.00 54.13 53.48 3rhn s LEU 116 Cb -0.14 -1.09 0.07 0.00 0.02 0.00 0.00 46.19 45.06 3rhn s LEU 116 CO -0.07 0.22 0.98 0.61 0.02 0.00 0.00 176.35 178.11 3rhn n GLY 117 N 2.07 0.65 0.00 -3.19 0.00 -0.34 -1.21 105.19 103.17 3rhn n GLY 117 Ca -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3rhn n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rhn n GLY 118 N -0.69 0.33 3.66 -0.02 0.00 -1.26 -1.54 105.19 105.67 3rhn n GLY 118 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3rhn n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3rhn s ARG 119 N -0.97 1.59 -0.00 1.61 1.70 -1.26 -4.69 118.95 116.92 3rhn s ARG 119 Ca 0.00 -1.09 -0.30 0.00 -0.47 0.00 0.00 55.73 53.87 3rhn s ARG 119 Cb 0.00 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 3rhn s ARG 119 CO 0.00 -0.69 1.21 -1.14 -1.08 0.00 0.00 175.30 173.60 3rhn s GLN 120 N -3.96 4.38 -0.05 3.89 2.00 -1.26 -4.99 119.66 119.68 3rhn s GLN 120 Ca 0.16 1.72 -0.19 0.00 -2.00 0.00 0.00 55.36 55.06 3rhn s GLN 120 Cb -0.02 -3.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.26 3rhn s GLN 120 CO 0.06 -0.37 0.53 -1.64 -0.50 0.00 0.00 175.29 173.37 3rhn s MET 121 N 1.75 4.28 0.69 1.67 -1.94 -1.26 -5.08 119.30 119.41 3rhn s MET 121 Ca 0.57 0.58 -0.01 0.00 -1.71 0.00 0.00 55.69 55.13 3rhn s MET 121 Cb -0.27 -3.37 0.11 0.00 2.01 0.00 0.00 34.83 33.31 3rhn s MET 121 CO 0.25 0.31 0.96 -0.80 -0.01 0.00 0.00 175.02 175.74 3rhn s ASN 122 N 0.06 4.51 -0.01 3.03 0.01 -1.26 -5.14 114.94 116.15 3rhn s ASN 122 Ca 0.28 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 52.18 3rhn s ASN 122 Cb -0.17 -0.21 -0.00 0.00 0.41 0.00 0.00 41.25 41.28 3rhn s ASN 122 CO 0.14 -1.74 -0.05 0.86 -1.51 0.00 0.00 177.10 174.79 3rhn s TRP 123 N -3.09 0.49 0.80 2.20 -0.11 -1.26 -4.31 118.94 113.66 3rhn s TRP 123 Ca 0.65 -0.09 -0.13 0.00 1.22 0.00 0.00 56.10 57.75 3rhn s TRP 123 Cb -0.06 -0.32 0.08 0.00 -1.50 0.00 0.00 33.47 31.66 3rhn s TRP 123 CO 0.43 -0.02 1.17 -1.25 -4.62 0.00 0.00 176.95 172.67 3rhn s PRO 124 N -0.08 1.77 -1.62 5.86 0.04 -1.26 -5.02 135.00 134.69 3rhn s PRO 124 Ca 0.01 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.55 3rhn s PRO 124 Cb -0.03 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 3rhn s PRO 124 CO -0.00 -2.08 2.93 -0.35 0.04 0.00 0.00 177.00 177.54 3rhn n PRO 125 N -3.36 3.67 -0.28 0.56 -0.04 -1.26 -5.22 135.00 129.07 3rhn n PRO 125 Ca 0.12 -2.22 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 3rhn n PRO 125 Cb 0.51 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 3rhn n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87