#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4rhn s PRO 13 N 0.00 4.03 0.00 -0.14 0.02 -1.26 -5.02 135.00 132.64 4rhn s PRO 13 Ca 0.00 0.96 0.00 0.00 0.02 0.00 0.00 61.00 61.98 4rhn s PRO 13 Cb 0.00 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.34 4rhn s PRO 13 CO 0.00 -0.15 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 4rhn n GLY 14 N -1.19 0.68 0.00 0.52 0.00 -1.25 -4.80 105.19 99.15 4rhn n GLY 14 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 4rhn n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4rhn n GLY 15 N -1.12 0.47 0.83 -0.02 0.00 -1.26 -3.38 105.19 100.71 4rhn n GLY 15 Ca 0.00 -1.90 0.08 0.00 0.00 0.00 0.00 46.02 44.20 4rhn n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4rhn n ASP 16 N -0.52 3.04 -4.43 1.61 8.00 -1.26 -4.35 116.55 118.63 4rhn n ASP 16 Ca 0.00 -1.90 -0.25 0.00 0.71 0.00 0.00 54.79 53.34 4rhn n ASP 16 Cb 0.00 -0.24 0.15 0.00 -0.02 0.00 0.00 41.12 41.01 4rhn n ASP 16 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 4rhn n THR 17 N 0.92 0.00 0.27 -3.53 -2.24 -1.26 -4.90 114.28 103.54 4rhn n THR 17 Ca 0.14 -1.45 0.11 0.00 -2.27 0.00 0.00 64.05 60.58 4rhn n THR 17 Cb 0.47 -1.05 0.74 0.00 -2.10 0.00 0.00 70.33 68.39 4rhn n THR 17 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 4rhn h ILE 18 N -0.93 0.83 -0.47 2.28 3.07 -1.97 -0.34 117.51 119.97 4rhn h ILE 18 Ca -0.37 -0.05 -0.02 0.00 1.55 0.00 0.00 64.86 65.97 4rhn h ILE 18 Cb 1.24 1.03 -0.02 0.00 -0.27 0.00 0.00 36.82 38.80 4rhn h ILE 18 CO 0.35 0.01 0.20 -0.26 -1.05 0.00 0.00 178.15 177.41 4rhn h PHE 19 N 0.00 0.66 -0.41 0.16 0.04 -1.92 -1.01 116.94 114.46 4rhn h PHE 19 Ca -0.00 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 4rhn h PHE 19 Cb 0.03 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 4rhn h PHE 19 CO 0.00 0.51 -0.00 0.78 -0.60 0.00 0.00 178.31 178.99 4rhn h GLY 20 N 0.80 0.70 1.42 -1.45 0.00 -1.07 0.16 103.07 103.63 4rhn h GLY 20 Ca 0.16 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 4rhn h GLY 20 CO -0.02 0.41 -0.42 0.50 0.00 0.00 0.00 176.54 177.01 4rhn h LYS 21 N 0.62 0.64 -0.13 4.80 1.57 -1.16 -1.94 116.57 120.96 4rhn h LYS 21 Ca 0.13 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 4rhn h LYS 21 Cb 0.39 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 4rhn h LYS 21 CO 0.01 0.94 -0.01 0.82 -0.57 0.00 0.00 179.45 180.64 4rhn h ILE 22 N 0.52 1.27 -0.84 1.86 2.04 -0.70 0.24 117.51 121.89 4rhn h ILE 22 Ca 0.04 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.05 4rhn h ILE 22 Cb 0.95 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 4rhn h ILE 22 CO 0.09 0.26 0.54 0.40 0.00 0.00 0.00 178.15 179.43 4rhn h ILE 23 N -0.04 1.10 -0.00 -0.67 2.04 -0.95 -1.13 117.51 117.86 4rhn h ILE 23 Ca 0.04 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.55 4rhn h ILE 23 Cb 0.41 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 4rhn h ILE 23 CO 0.01 0.19 -0.01 0.54 0.00 0.00 0.00 178.15 178.87 4rhn n ARG 24 N -4.58 1.14 -3.21 2.37 1.74 -0.74 -4.92 116.66 108.47 4rhn n ARG 24 Ca 0.11 -0.30 -0.20 0.00 -0.77 0.00 0.00 57.85 56.69 4rhn n ARG 24 Cb 0.12 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.12 4rhn n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 4rhn n LYS 25 N -0.67 -5.70 0.09 5.56 4.01 -0.43 -4.91 118.16 116.11 4rhn n LYS 25 Ca 0.21 0.75 0.05 0.00 -0.51 0.00 0.00 58.31 58.81 4rhn n LYS 25 Cb 0.20 -5.40 -0.01 0.00 -0.51 0.00 0.00 35.03 29.31 4rhn n LYS 25 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 4rhn h GLU 26 N -1.83 0.00 -4.11 1.97 5.08 -0.81 -3.45 114.58 111.43 4rhn h GLU 26 Ca -0.48 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.59 4rhn h GLU 26 Cb 1.32 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.28 4rhn h GLU 26 CO 0.49 0.21 -0.74 0.96 -1.00 0.00 0.00 179.01 178.92 4rhn s ILE 27 N -3.09 0.28 0.59 3.13 -4.36 -1.20 -5.03 121.20 111.52 4rhn s ILE 27 Ca -0.00 -0.14 -0.17 0.00 -0.26 0.00 0.00 60.65 60.07 4rhn s ILE 27 Cb 0.08 -0.25 -0.04 0.00 1.25 0.00 0.00 42.46 43.51 4rhn s ILE 27 CO 0.78 0.09 1.10 -2.16 0.24 0.00 0.00 174.94 174.98 4rhn s PRO 28 N -0.03 3.21 0.16 0.37 0.04 -1.26 -4.46 135.00 133.03 4rhn s PRO 28 Ca 0.01 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.35 4rhn s PRO 28 Cb -0.02 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.53 4rhn s PRO 28 CO -0.00 -0.93 0.35 0.00 0.04 0.00 0.00 177.00 176.46 4rhn s ALA 29 N -2.13 -0.43 -1.11 8.56 0.00 -1.26 -5.04 121.76 120.34 4rhn s ALA 29 Ca 0.68 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 4rhn s ALA 29 Cb -0.20 0.78 0.20 0.00 0.00 0.00 0.00 23.12 23.89 4rhn s ALA 29 CO 0.33 -0.67 1.25 0.15 0.00 0.00 0.00 175.76 176.82 4rhn s LYS 30 N -3.90 4.01 0.03 0.00 1.02 -1.26 -5.00 119.74 114.65 4rhn s LYS 30 Ca 0.11 -2.63 -0.30 0.00 0.02 0.00 0.00 55.97 53.16 4rhn s LYS 30 Cb 0.02 -4.85 -0.05 0.00 -0.52 0.00 0.00 37.83 32.43 4rhn s LYS 30 CO -0.04 -1.58 1.17 0.42 -0.92 0.00 0.00 175.35 174.40 4rhn s ILE 31 N 0.84 4.18 -0.20 2.17 1.01 -1.26 -1.62 121.20 126.31 4rhn s ILE 31 Ca 0.36 1.56 -0.03 0.00 0.00 0.00 0.00 60.65 62.53 4rhn s ILE 31 Cb -0.06 -4.00 -0.21 0.00 0.01 0.00 0.00 42.46 38.21 4rhn s ILE 31 CO -0.04 0.10 0.02 -0.38 0.00 0.00 0.00 174.94 174.64 4rhn n ILE 32 N 4.04 1.61 -3.50 2.92 5.41 0.03 -4.97 119.36 124.91 4rhn n ILE 32 Ca 0.09 -0.58 -0.16 0.00 1.00 0.00 0.00 62.75 63.10 4rhn n ILE 32 Cb 0.47 -1.60 -0.05 0.00 -0.71 0.00 0.00 39.64 37.75 4rhn n ILE 32 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 4rhn s PHE 33 N -2.53 -0.61 -0.19 1.39 5.36 -1.22 -5.00 117.98 115.18 4rhn s PHE 33 Ca -0.30 0.86 -0.12 0.00 -0.96 0.00 0.00 56.93 56.41 4rhn s PHE 33 Cb 0.08 0.44 0.06 0.00 -0.34 0.00 0.00 43.02 43.27 4rhn s PHE 33 CO 0.66 -0.68 0.48 -2.00 -1.46 0.00 0.00 175.22 172.23 4rhn s GLU 34 N -1.98 0.49 0.00 10.12 2.12 -1.26 -1.02 118.70 127.16 4rhn s GLU 34 Ca -0.07 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.11 4rhn s GLU 34 Cb -0.00 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.46 4rhn s GLU 34 CO 0.03 -0.14 0.00 -0.40 -0.54 0.00 0.00 175.26 174.21 4rhn n ASP 35 N 3.98 0.85 0.29 -1.70 5.68 -0.60 -5.03 116.55 120.03 4rhn n ASP 35 Ca -0.21 -0.99 0.19 0.00 -0.50 0.00 0.00 54.79 53.29 4rhn n ASP 35 Cb 0.56 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.42 4rhn n ASP 35 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 4rhn h ASP 36 N 0.00 0.00 0.00 -1.12 2.03 -2.04 -3.30 116.42 111.99 4rhn h ASP 36 Ca 0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 4rhn h ASP 36 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 4rhn h ASP 36 CO 0.00 0.00 -1.60 0.00 -1.03 0.00 0.00 179.24 176.61 4rhn n GLN 37 N -3.03 1.05 -3.93 4.15 6.02 -1.26 -4.92 117.38 115.46 4rhn n GLN 37 Ca -0.01 -0.07 -0.12 0.00 -0.01 0.00 0.00 57.00 56.80 4rhn n GLN 37 Cb 0.21 -1.27 -0.00 0.00 1.02 0.00 0.00 30.24 30.19 4rhn n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 4rhn s LEU 39 N -3.16 0.79 -0.03 0.00 0.20 -0.84 -1.55 118.68 114.09 4rhn s LEU 39 Ca 0.23 0.39 0.06 0.00 0.69 0.00 0.00 54.13 55.50 4rhn s LEU 39 Cb -0.03 1.20 -0.01 0.00 -0.43 0.00 0.00 46.19 46.92 4rhn s LEU 39 CO 0.16 -0.27 -0.21 0.00 -0.29 0.00 0.00 176.35 175.74 4rhn s ALA 40 N -0.53 1.82 0.03 5.97 0.00 -0.19 -1.05 121.76 127.81 4rhn s ALA 40 Ca -0.06 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 4rhn s ALA 40 Cb -0.04 -0.53 0.03 0.00 0.00 0.00 0.00 23.12 22.59 4rhn s ALA 40 CO 0.02 0.39 0.39 -0.59 0.00 0.00 0.00 175.76 175.97 4rhn s PHE 41 N -0.27 -0.24 0.37 0.00 -0.71 -0.51 -0.79 117.98 115.83 4rhn s PHE 41 Ca 0.02 0.21 -0.27 0.00 -1.04 0.00 0.00 56.93 55.85 4rhn s PHE 41 Cb -0.11 0.19 -0.09 0.00 -1.21 0.00 0.00 43.02 41.80 4rhn s PHE 41 CO 0.01 -0.54 1.27 -1.01 -1.34 0.00 0.00 175.22 173.61 4rhn s HIS 42 N -2.31 2.99 -0.01 3.49 3.76 -0.64 -0.58 115.29 121.99 4rhn s HIS 42 Ca -0.06 1.46 -0.30 0.00 -0.15 0.00 0.00 55.06 56.00 4rhn s HIS 42 Cb -0.01 -3.60 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 4rhn s HIS 42 CO -0.01 -1.77 1.10 0.34 -0.85 0.00 0.00 174.74 173.55 4rhn s ASP 43 N -0.73 7.19 0.17 1.40 -1.08 -0.37 -4.74 116.67 118.50 4rhn s ASP 43 Ca 0.53 1.78 0.19 0.00 -0.52 0.00 0.00 52.55 54.53 4rhn s ASP 43 Cb -0.37 -2.57 0.82 0.00 -1.46 0.00 0.00 42.92 39.35 4rhn s ASP 43 CO 0.48 -0.43 1.58 0.00 0.52 0.00 0.00 175.17 177.32 4rhn n ILE 44 N 4.18 0.98 -3.29 4.11 3.06 -1.26 -3.28 119.36 123.87 4rhn n ILE 44 Ca 0.08 0.31 -0.25 0.00 -2.50 0.00 0.00 62.75 60.39 4rhn n ILE 44 Cb 0.48 -1.19 -0.07 0.00 0.54 0.00 0.00 39.64 39.40 4rhn n ILE 44 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 4rhn n SER 45 N -1.96 1.83 -4.76 9.51 7.64 -1.26 -5.12 113.62 119.50 4rhn n SER 45 Ca 0.02 -3.04 -0.41 0.00 1.01 0.00 0.00 58.87 56.44 4rhn n SER 45 Cb 0.18 -0.65 -0.00 0.00 -1.01 0.00 0.00 64.21 62.72 4rhn n SER 45 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 4rhn n PRO 46 N 1.11 2.60 -0.11 1.43 -0.02 -1.20 -4.93 135.00 133.87 4rhn n PRO 46 Ca 0.25 0.91 0.06 0.00 -2.02 0.00 0.00 63.50 62.70 4rhn n PRO 46 Cb 0.48 -2.62 0.11 0.00 -0.02 0.00 0.00 33.50 31.45 4rhn n PRO 46 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 4rhn n GLN 47 N 0.47 2.04 -3.67 -0.52 1.13 -1.26 -4.99 117.38 110.58 4rhn n GLN 47 Ca 0.02 -1.73 -0.10 0.00 -1.94 0.00 0.00 57.00 53.25 4rhn n GLN 47 Cb 0.38 -1.25 -0.03 0.00 0.11 0.00 0.00 30.24 29.46 4rhn n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 4rhn s ALA 48 N -0.97 -1.17 0.41 -1.58 0.00 -1.26 -5.04 121.76 112.14 4rhn s ALA 48 Ca 0.20 -0.03 0.19 0.00 0.00 0.00 0.00 51.96 52.31 4rhn s ALA 48 Cb 0.11 0.86 1.11 0.00 0.00 0.00 0.00 23.12 25.20 4rhn s ALA 48 CO 0.15 -0.83 1.81 -1.35 0.00 0.00 0.00 175.76 175.54 4rhn h PRO 49 N 2.11 0.37 -4.56 0.00 0.11 -1.81 -3.35 132.00 124.87 4rhn h PRO 49 Ca -0.29 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.23 4rhn h PRO 49 Cb 1.27 -0.08 -0.36 0.00 0.11 0.00 0.00 31.00 31.94 4rhn h PRO 49 CO 0.35 0.25 -0.82 0.99 -0.21 0.00 0.00 178.00 178.56 4rhn s THR 50 N -5.44 1.38 -0.25 -1.15 2.01 -0.85 -5.02 115.64 106.32 4rhn s THR 50 Ca -0.08 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 4rhn s THR 50 Cb 0.24 -1.30 0.13 0.00 0.01 0.00 0.00 72.50 71.58 4rhn s THR 50 CO 0.79 0.42 0.33 -2.28 -0.69 0.00 0.00 174.62 173.20 4rhn s HIS 51 N 1.35 -0.67 0.31 4.92 5.04 -1.26 -1.26 115.29 123.73 4rhn s HIS 51 Ca 0.00 0.41 0.04 0.00 -1.54 0.00 0.00 55.06 53.97 4rhn s HIS 51 Cb -0.14 -0.19 -0.06 0.00 0.04 0.00 0.00 32.58 32.23 4rhn s HIS 51 CO -0.07 -0.78 0.05 -0.59 -2.34 0.00 0.00 174.74 171.02 4rhn s PHE 52 N 2.46 1.91 0.09 3.88 -0.71 -0.51 -1.24 117.98 123.86 4rhn s PHE 52 Ca 0.10 -0.96 0.08 0.00 -1.04 0.00 0.00 56.93 55.11 4rhn s PHE 52 Cb -0.15 -1.23 -0.03 0.00 -1.21 0.00 0.00 43.02 40.40 4rhn s PHE 52 CO -0.21 -0.01 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.93 4rhn s LEU 53 N -3.46 2.27 -0.17 -1.99 1.43 0.25 -1.32 118.68 115.70 4rhn s LEU 53 Ca 0.36 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 4rhn s LEU 53 Cb 0.08 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.39 4rhn s LEU 53 CO 0.15 0.09 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 4rhn s VAL 54 N -1.07 1.83 0.06 -1.59 1.01 -0.40 -1.43 120.40 118.81 4rhn s VAL 54 Ca 0.07 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.34 4rhn s VAL 54 Cb -0.10 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 4rhn s VAL 54 CO 0.04 0.50 -0.23 0.27 0.00 0.00 0.00 175.10 175.68 4rhn s ILE 55 N 1.38 1.87 0.42 2.22 -4.36 -0.21 -1.32 121.20 121.21 4rhn s ILE 55 Ca 0.05 -1.38 -0.22 0.00 -0.26 0.00 0.00 60.65 58.85 4rhn s ILE 55 Cb -0.13 -1.64 -0.11 0.00 1.25 0.00 0.00 42.46 41.84 4rhn s ILE 55 CO -0.12 0.19 0.96 -2.16 0.24 0.00 0.00 174.94 174.05 4rhn s PRO 56 N -1.42 4.22 0.28 0.37 0.04 -1.26 -1.98 135.00 135.24 4rhn s PRO 56 Ca 0.09 1.18 0.13 0.00 0.04 0.00 0.00 61.00 62.44 4rhn s PRO 56 Cb -0.09 -2.24 0.31 0.00 0.04 0.00 0.00 34.50 32.51 4rhn s PRO 56 CO 0.03 -0.04 1.56 0.87 0.04 0.00 0.00 177.00 179.46 4rhn h LYS 57 N 2.02 0.00 -6.49 4.56 1.57 -1.60 -3.43 116.57 113.20 4rhn h LYS 57 Ca -0.49 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.76 4rhn h LYS 57 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 4rhn h LYS 57 CO 0.61 0.60 0.53 0.21 -0.57 0.00 0.00 179.45 180.83 4rhn s LYS 58 N -3.36 4.46 -0.35 3.15 2.20 -1.26 -3.91 119.74 120.67 4rhn s LYS 58 Ca 0.00 1.72 -0.29 0.00 -0.36 0.00 0.00 55.97 57.04 4rhn s LYS 58 Cb 0.11 -3.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 4rhn s LYS 58 CO 0.75 -0.20 1.18 -1.58 -0.36 0.00 0.00 175.35 175.14 4rhn s HIS 59 N 0.93 2.89 -0.17 4.03 5.65 -1.26 -4.94 115.29 122.42 4rhn s HIS 59 Ca 0.57 0.96 0.01 0.00 0.25 0.00 0.00 55.06 56.85 4rhn s HIS 59 Cb -0.28 -3.95 0.03 0.00 -1.18 0.00 0.00 32.58 27.19 4rhn s HIS 59 CO 0.30 -1.25 -0.15 0.42 -0.65 0.00 0.00 174.74 173.40 4rhn s ILE 60 N 4.15 1.74 0.18 0.89 1.01 -1.26 -5.04 121.20 122.87 4rhn s ILE 60 Ca 0.50 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 4rhn s ILE 60 Cb -0.13 -1.65 0.08 0.00 0.01 0.00 0.00 42.46 40.78 4rhn s ILE 60 CO 0.22 0.43 1.67 0.77 0.00 0.00 0.00 174.94 178.03 4rhn h SER 61 N 8.00 1.05 -5.07 3.58 4.64 -1.94 0.23 113.55 124.04 4rhn h SER 61 Ca -0.39 -0.28 -0.07 0.00 -0.47 0.00 0.00 61.79 60.58 4rhn h SER 61 Cb 1.13 -0.28 -0.15 0.00 -0.31 0.00 0.00 62.40 62.79 4rhn h SER 61 CO 0.55 1.06 -0.16 -1.10 -0.87 0.00 0.00 176.83 176.31 4rhn s GLN 62 N -5.15 0.93 0.47 4.77 -0.21 -1.26 -2.62 119.66 116.59 4rhn s GLN 62 Ca -0.12 -0.58 0.23 0.00 0.02 0.00 0.00 55.36 54.92 4rhn s GLN 62 Cb 0.14 0.40 1.15 0.00 1.00 0.00 0.00 33.01 35.70 4rhn s GLN 62 CO 0.85 -0.33 1.95 0.97 -2.12 0.00 0.00 175.29 176.62 4rhn h ILE 63 N 2.84 0.71 0.00 1.08 6.09 -1.90 -1.90 117.51 124.43 4rhn h ILE 63 Ca -0.33 -0.86 -0.05 0.00 -1.37 0.00 0.00 64.86 62.26 4rhn h ILE 63 Cb 1.22 1.54 -0.01 0.00 0.47 0.00 0.00 36.82 40.04 4rhn h ILE 63 CO 0.47 0.20 -0.22 0.77 -3.07 0.00 0.00 178.15 176.30 4rhn h SER 64 N 0.00 0.00 -0.03 2.19 4.64 -1.98 -2.69 113.55 115.68 4rhn h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 4rhn h SER 64 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 4rhn h SER 64 CO 0.03 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 4rhn n ALA 65 N -2.25 2.51 -1.77 5.18 0.00 -0.72 -4.95 120.51 118.51 4rhn n ALA 65 Ca -0.00 -0.59 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 4rhn n ALA 65 Cb 0.39 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 4rhn n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4rhn s ALA 66 N -1.99 3.37 0.55 0.00 0.00 -1.02 -4.96 121.76 117.71 4rhn s ALA 66 Ca 0.32 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.47 4rhn s ALA 66 Cb 0.20 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.93 4rhn s ALA 66 CO 0.31 -0.60 0.76 -1.21 0.00 0.00 0.00 175.76 175.03 4rhn s GLU 67 N -1.94 2.45 0.38 0.00 2.02 -1.26 -4.98 118.70 115.38 4rhn s GLU 67 Ca 0.52 -1.06 0.07 0.00 0.02 0.00 0.00 54.97 54.52 4rhn s GLU 67 Cb -0.37 -2.55 0.80 0.00 0.10 0.00 0.00 34.13 32.11 4rhn s GLU 67 CO 0.48 -0.73 2.00 -0.44 0.02 0.00 0.00 175.26 176.58 4rhn h ASP 68 N 0.13 0.57 0.66 -0.19 3.32 -2.02 -1.19 116.42 117.71 4rhn h ASP 68 Ca -0.39 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 4rhn h ASP 68 Cb 1.29 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.71 4rhn h ASP 68 CO 0.47 0.39 0.00 0.00 -1.72 0.00 0.00 179.24 178.38 4rhn n ALA 69 N -2.47 1.70 1.51 3.45 0.00 -1.26 -2.41 120.51 121.03 4rhn n ALA 69 Ca 0.08 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.66 4rhn n ALA 69 Cb 0.17 -1.33 0.52 0.00 0.00 0.00 0.00 19.45 18.81 4rhn n ALA 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 4rhn n ASP 70 N -1.91 1.20 -0.08 0.00 8.00 -0.45 -4.40 116.55 118.91 4rhn n ASP 70 Ca 0.03 -1.51 -0.08 0.00 0.71 0.00 0.00 54.79 53.94 4rhn n ASP 70 Cb 0.21 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 4rhn n ASP 70 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 4rhn h GLU 71 N 1.73 -0.23 -0.19 -1.24 4.81 -1.60 -0.55 114.58 117.32 4rhn h GLU 71 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 4rhn h GLU 71 Cb 0.37 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 4rhn h GLU 71 CO 0.00 -0.15 0.09 0.77 -0.73 0.00 0.00 179.01 178.99 4rhn h SER 72 N -0.24 0.24 -0.67 1.04 0.02 -1.86 -1.35 113.55 110.74 4rhn h SER 72 Ca 0.16 -0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.08 4rhn h SER 72 Cb 0.49 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.91 4rhn h SER 72 CO -0.46 0.29 0.33 0.25 -1.14 0.00 0.00 176.83 176.10 4rhn h LEU 73 N 0.18 0.44 -0.45 5.07 5.85 -1.79 0.41 115.31 125.02 4rhn h LEU 73 Ca 0.06 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 4rhn h LEU 73 Cb 0.11 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 4rhn h LEU 73 CO -0.01 0.26 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.25 4rhn h LEU 74 N 0.58 0.80 -1.33 2.25 3.38 -0.95 -2.35 115.31 117.69 4rhn h LEU 74 Ca 0.32 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 4rhn h LEU 74 Cb 0.31 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 4rhn h LEU 74 CO -0.25 0.93 0.00 1.23 0.09 0.00 0.00 178.44 180.45 4rhn h GLY 75 N 0.65 0.48 1.72 0.83 0.00 -0.56 -2.60 103.07 103.59 4rhn h GLY 75 Ca 0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 4rhn h GLY 75 CO 0.03 0.25 -0.13 0.84 0.00 0.00 0.00 176.54 177.53 4rhn h HIS 76 N 0.43 0.36 -0.42 5.60 -0.00 0.29 -2.32 115.15 119.09 4rhn h HIS 76 Ca 0.10 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.36 4rhn h HIS 76 Cb 0.29 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 4rhn h HIS 76 CO 0.01 0.47 0.02 -0.07 -0.00 0.00 0.00 177.93 178.35 4rhn h LEU 77 N 0.32 0.63 -0.39 0.26 3.38 -1.04 -1.39 115.31 117.07 4rhn h LEU 77 Ca 0.06 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 4rhn h LEU 77 Cb 0.43 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 4rhn h LEU 77 CO 0.03 0.69 -0.74 0.24 0.09 0.00 0.00 178.44 178.75 4rhn h MET 78 N 0.63 0.41 -0.13 1.13 2.86 -1.45 -1.22 114.93 117.16 4rhn h MET 78 Ca 0.13 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 4rhn h MET 78 Cb 0.37 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 4rhn h MET 78 CO 0.01 0.98 -0.03 0.82 1.06 0.00 0.00 176.91 179.75 4rhn h ILE 79 N 0.28 1.29 -0.70 -1.22 1.08 -1.20 -1.34 117.51 115.70 4rhn h ILE 79 Ca -0.03 -0.97 -0.03 0.00 -0.39 0.00 0.00 64.86 63.44 4rhn h ILE 79 Cb 1.32 1.68 -0.03 0.00 -3.07 0.00 0.00 36.82 36.71 4rhn h ILE 79 CO 0.13 0.28 0.33 0.58 -0.69 0.00 0.00 178.15 178.77 4rhn h VAL 80 N -0.07 1.23 -0.28 1.67 2.07 -1.31 -1.45 116.25 118.10 4rhn h VAL 80 Ca 0.03 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 4rhn h VAL 80 Cb 0.45 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 4rhn h VAL 80 CO 0.01 0.27 0.15 1.23 0.02 0.00 0.00 177.57 179.25 4rhn h GLY 81 N 1.06 0.41 1.71 2.17 0.00 -1.05 0.31 103.07 107.69 4rhn h GLY 81 Ca 0.24 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 4rhn h GLY 81 CO -0.03 0.18 -0.34 0.07 0.00 0.00 0.00 176.54 176.42 4rhn h LYS 82 N 0.33 0.33 -0.36 4.80 2.10 -0.94 -0.57 116.57 122.26 4rhn h LYS 82 Ca 0.10 -0.14 -0.07 0.00 -2.00 0.00 0.00 60.65 58.53 4rhn h LYS 82 Cb 0.07 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 4rhn h LYS 82 CO -0.02 0.64 -0.05 0.87 -2.00 0.00 0.00 179.45 178.89 4rhn h LYS 83 N 0.29 0.68 -0.24 0.07 1.57 -0.99 -2.23 116.57 115.72 4rhn h LYS 83 Ca 0.03 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 4rhn h LYS 83 Cb 0.74 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 4rhn h LYS 83 CO 0.06 0.82 -0.31 0.00 -0.57 0.00 0.00 179.45 179.44 4rhn h ALA 85 N 1.25 0.84 -0.54 0.00 0.00 -0.98 -0.28 119.26 119.55 4rhn h ALA 85 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 4rhn h ALA 85 Cb 0.76 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 4rhn h ALA 85 CO 0.06 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.77 4rhn h ALA 86 N 1.08 0.87 0.00 0.00 0.00 -1.26 -0.26 119.26 119.69 4rhn h ALA 86 Ca 0.21 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 4rhn h ALA 86 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 4rhn h ALA 86 CO -0.01 0.65 -0.35 0.22 0.00 0.00 0.00 179.25 179.76 4rhn h ASP 87 N 0.88 0.00 -0.38 0.00 3.58 -1.02 -2.12 116.42 117.36 4rhn h ASP 87 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 4rhn h ASP 87 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 4rhn h ASP 87 CO 0.04 0.35 0.00 0.18 -2.88 0.00 0.00 179.24 176.93 4rhn n LEU 88 N -3.82 2.15 -0.52 2.28 4.77 -0.15 -4.94 117.00 116.77 4rhn n LEU 88 Ca -0.01 -1.06 -0.05 0.00 -0.03 0.00 0.00 56.01 54.86 4rhn n LEU 88 Cb 0.43 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 4rhn n LEU 88 CO 0.37 0.53 -0.06 0.61 -1.33 0.00 0.00 177.39 177.51 4rhn n GLY 89 N 1.15 0.34 2.57 -0.72 0.00 -0.80 -4.96 105.19 102.78 4rhn n GLY 89 Ca 0.14 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 4rhn n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 4rhn n LEU 90 N -0.69 7.72 0.16 0.99 4.77 -0.13 -4.70 117.00 125.12 4rhn n LEU 90 Ca -0.06 -4.85 0.13 0.00 -0.03 0.00 0.00 56.01 51.20 4rhn n LEU 90 Cb 0.44 -1.38 0.42 0.00 -2.33 0.00 0.00 43.42 40.57 4rhn n LEU 90 CO 0.07 1.91 0.88 0.50 -1.33 0.00 0.00 177.39 179.42 4rhn h LYS 91 N 4.86 0.00 -0.15 3.23 1.63 -1.90 -3.06 116.57 121.18 4rhn h LYS 91 Ca 0.63 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.43 4rhn h LYS 91 Cb 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 4rhn h LYS 91 CO 1.51 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 179.14 4rhn n LYS 92 N -2.52 1.88 0.00 1.90 5.02 -1.26 -5.05 118.16 118.14 4rhn n LYS 92 Ca 0.04 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 4rhn n LYS 92 Cb 0.38 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 4rhn n LYS 92 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 4rhn n GLY 93 N 1.22 2.31 3.84 0.72 0.00 -1.16 -5.08 105.19 107.05 4rhn n GLY 93 Ca 0.17 -2.17 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 4rhn n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 4rhn s TYR 94 N -1.84 0.03 -0.02 1.61 -0.85 -1.26 -4.37 117.35 110.65 4rhn s TYR 94 Ca 0.00 -0.45 0.02 0.00 -0.52 0.00 0.00 57.07 56.12 4rhn s TYR 94 Cb 0.00 0.71 0.00 0.00 0.38 0.00 0.00 41.96 43.05 4rhn s TYR 94 CO 0.00 -1.00 -0.08 0.50 -1.52 0.00 0.00 175.55 173.45 4rhn s ARG 95 N -2.43 0.85 -0.09 -3.49 3.52 -0.20 -4.98 118.95 112.13 4rhn s ARG 95 Ca 0.19 -0.27 -0.03 0.00 -0.13 0.00 0.00 55.73 55.49 4rhn s ARG 95 Cb -0.03 -0.81 -0.03 0.00 -1.56 0.00 0.00 34.95 32.52 4rhn s ARG 95 CO 0.06 0.10 0.03 -1.64 -0.81 0.00 0.00 175.30 173.03 4rhn s MET 96 N 0.19 3.08 -0.04 5.12 -1.94 -1.26 -1.42 119.30 123.03 4rhn s MET 96 Ca -0.03 -0.35 -0.03 0.00 -1.71 0.00 0.00 55.69 53.57 4rhn s MET 96 Cb -0.08 -2.87 0.02 0.00 2.01 0.00 0.00 34.83 33.90 4rhn s MET 96 CO 0.00 0.71 0.09 0.08 -0.01 0.00 0.00 175.02 175.90 4rhn s VAL 97 N -0.89 -0.02 -0.14 -6.03 1.01 -0.10 -4.95 120.40 109.27 4rhn s VAL 97 Ca 0.13 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.19 4rhn s VAL 97 Cb -0.11 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.14 4rhn s VAL 97 CO 0.03 0.03 -0.15 -0.69 0.00 0.00 0.00 175.10 174.31 4rhn s VAL 98 N 0.44 1.61 -0.17 2.92 1.01 -1.26 -0.43 120.40 124.52 4rhn s VAL 98 Ca -0.03 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 4rhn s VAL 98 Cb -0.05 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 4rhn s VAL 98 CO -0.02 0.46 0.13 0.20 0.00 0.00 0.00 175.10 175.88 4rhn s ASN 99 N 1.26 6.24 -0.12 3.32 0.01 -1.26 -5.09 114.94 119.30 4rhn s ASN 99 Ca 0.00 0.32 0.01 0.00 -0.71 0.00 0.00 52.86 52.48 4rhn s ASN 99 Cb -0.14 -2.06 0.02 0.00 0.41 0.00 0.00 41.25 39.48 4rhn s ASN 99 CO -0.07 0.27 -0.13 -0.70 -1.51 0.00 0.00 177.10 174.96 4rhn s GLU 100 N -0.21 2.09 1.56 -0.60 2.56 -1.26 -4.56 118.70 118.27 4rhn s GLU 100 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 54.97 54.59 4rhn s GLU 100 Cb -0.11 -1.90 0.00 0.00 2.00 0.00 0.00 34.13 34.12 4rhn s GLU 100 CO 0.01 -0.18 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 4rhn n GLY 101 N 4.58 -1.37 0.25 -1.50 0.00 -1.26 -2.37 105.19 103.51 4rhn n GLY 101 Ca -0.17 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 4rhn n GLY 101 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 4rhn h SER 102 N -0.07 -0.52 -0.16 1.61 0.87 -1.96 -0.39 113.55 112.93 4rhn h SER 102 Ca 0.00 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 4rhn h SER 102 Cb 0.06 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 4rhn h SER 102 CO 0.00 -0.32 0.04 0.44 -0.53 0.00 0.00 176.83 176.46 4rhn h ASP 103 N -0.49 0.31 1.09 6.23 5.19 -1.98 -2.29 116.42 124.47 4rhn h ASP 103 Ca -0.02 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 4rhn h ASP 103 Cb 0.42 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.85 4rhn h ASP 103 CO 0.01 0.33 -0.10 0.61 -3.12 0.00 0.00 179.24 176.97 4rhn n GLY 104 N -1.19 -1.53 1.59 2.75 0.00 -1.00 -4.94 105.19 100.87 4rhn n GLY 104 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 4rhn n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4rhn n GLY 105 N 1.43 0.56 3.64 -0.02 0.00 -0.69 -4.46 105.19 105.64 4rhn n GLY 105 Ca 0.06 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 4rhn n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4rhn s GLN 106 N -2.03 3.87 -0.07 1.61 0.74 -0.24 -4.88 119.66 118.66 4rhn s GLN 106 Ca 0.00 1.82 0.19 0.00 0.05 0.00 0.00 55.36 57.42 4rhn s GLN 106 Cb 0.00 -4.04 -0.24 0.00 1.10 0.00 0.00 33.01 29.83 4rhn s GLN 106 CO 0.00 -1.21 0.43 -1.13 -0.55 0.00 0.00 175.29 172.82 4rhn n SER 107 N 8.25 0.25 -4.19 6.67 3.41 -1.26 -4.75 113.62 122.01 4rhn n SER 107 Ca 0.19 0.11 -0.32 0.00 -0.26 0.00 0.00 58.87 58.59 4rhn n SER 107 Cb 0.45 1.09 -0.17 0.00 -0.26 0.00 0.00 64.21 65.32 4rhn n SER 107 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 4rhn s VAL 108 N -2.97 1.99 -1.49 -3.33 1.01 -1.26 -5.04 120.40 109.32 4rhn s VAL 108 Ca -0.07 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 4rhn s VAL 108 Cb 0.09 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.74 4rhn s VAL 108 CO 0.85 0.54 2.68 -1.22 0.00 0.00 0.00 175.10 177.96 4rhn n TYR 109 N 3.77 2.54 -3.68 5.22 4.01 -1.26 -4.65 117.16 123.10 4rhn n TYR 109 Ca -0.20 -2.98 -0.10 0.00 -0.16 0.00 0.00 57.90 54.47 4rhn n TYR 109 Cb 0.52 -2.21 -0.10 0.00 -0.31 0.00 0.00 39.34 37.23 4rhn n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 4rhn s HIS 110 N 0.79 -0.67 0.12 -0.72 2.46 -1.08 -4.35 115.29 111.85 4rhn s HIS 110 Ca 0.62 1.36 -0.34 0.00 0.47 0.00 0.00 55.06 57.17 4rhn s HIS 110 Cb 0.18 0.26 -0.14 0.00 -0.13 0.00 0.00 32.58 32.76 4rhn s HIS 110 CO -0.07 -0.40 1.62 0.28 -2.47 0.00 0.00 174.74 173.70 4rhn n VAL 111 N 4.78 0.09 -3.87 0.89 0.31 0.81 -4.92 118.33 116.42 4rhn n VAL 111 Ca -0.16 -0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.03 4rhn n VAL 111 Cb 0.53 -1.58 -0.12 0.00 -0.91 0.00 0.00 33.84 31.76 4rhn n VAL 111 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 4rhn s HIS 112 N 1.39 0.00 -0.22 3.52 -3.43 -1.26 -4.14 115.29 111.15 4rhn s HIS 112 Ca 0.81 0.01 -0.06 0.00 -0.80 0.00 0.00 55.06 55.02 4rhn s HIS 112 Cb -0.69 -0.02 -0.03 0.00 -1.43 0.00 0.00 32.58 30.41 4rhn s HIS 112 CO 0.40 -0.10 0.03 -1.17 -2.00 0.00 0.00 174.74 171.90 4rhn s LEU 113 N -0.44 3.34 0.15 5.38 2.96 -0.44 -4.53 118.68 125.10 4rhn s LEU 113 Ca -0.05 -0.20 -0.19 0.00 -0.22 0.00 0.00 54.13 53.47 4rhn s LEU 113 Cb -0.03 -1.87 -0.07 0.00 0.50 0.00 0.00 46.19 44.71 4rhn s LEU 113 CO 0.00 0.02 0.63 -1.00 -1.32 0.00 0.00 176.35 174.68 4rhn s HIS 114 N 1.27 3.72 -0.10 5.38 3.76 0.43 -1.28 115.29 128.47 4rhn s HIS 114 Ca 0.04 1.29 -0.01 0.00 -0.15 0.00 0.00 55.06 56.23 4rhn s HIS 114 Cb -0.15 -2.53 0.03 0.00 1.11 0.00 0.00 32.58 31.05 4rhn s HIS 114 CO 0.02 0.47 -0.01 0.08 -0.85 0.00 0.00 174.74 174.45 4rhn s VAL 115 N -1.33 0.55 0.00 -0.90 1.01 -0.44 -0.93 120.40 118.37 4rhn s VAL 115 Ca 0.36 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.33 4rhn s VAL 115 Cb -0.18 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 4rhn s VAL 115 CO 0.20 0.22 -0.17 -0.76 0.00 0.00 0.00 175.10 174.59 4rhn s LEU 116 N 1.90 2.07 0.00 3.92 1.02 -0.51 -1.43 118.68 125.65 4rhn s LEU 116 Ca 0.04 -0.35 -0.05 0.00 0.02 0.00 0.00 54.13 53.79 4rhn s LEU 116 Cb -0.13 -0.84 0.02 0.00 0.02 0.00 0.00 46.19 45.25 4rhn s LEU 116 CO -0.06 0.18 0.25 0.61 0.02 0.00 0.00 176.35 177.34 4rhn n GLY 117 N 2.46 1.25 1.09 -3.19 0.00 -0.39 -1.03 105.19 105.38 4rhn n GLY 117 Ca -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.87 4rhn n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4rhn n GLY 118 N -0.17 0.71 3.66 -0.02 0.00 -1.26 -2.00 105.19 106.10 4rhn n GLY 118 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 4rhn n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 4rhn s ARG 119 N -0.62 1.56 0.01 1.61 1.70 -1.26 -4.62 118.95 117.33 4rhn s ARG 119 Ca 0.00 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 4rhn s ARG 119 Cb 0.00 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 4rhn s ARG 119 CO 0.00 -0.70 1.25 -1.14 -1.08 0.00 0.00 175.30 173.63 4rhn s GLN 120 N -3.86 4.37 -0.06 3.89 2.00 -1.26 -4.98 119.66 119.76 4rhn s GLN 120 Ca 0.08 1.78 -0.15 0.00 -2.00 0.00 0.00 55.36 55.07 4rhn s GLN 120 Cb -0.03 -3.47 -0.05 0.00 0.80 0.00 0.00 33.01 30.26 4rhn s GLN 120 CO -0.01 -0.40 0.40 -1.64 -0.50 0.00 0.00 175.29 173.15 4rhn s MET 121 N 1.76 4.08 0.60 1.67 -1.94 -1.26 -5.08 119.30 119.12 4rhn s MET 121 Ca 0.59 0.36 0.02 0.00 -1.71 0.00 0.00 55.69 54.96 4rhn s MET 121 Cb -0.28 -3.31 0.07 0.00 2.01 0.00 0.00 34.83 33.31 4rhn s MET 121 CO 0.26 0.47 0.83 -0.80 -0.01 0.00 0.00 175.02 175.77 4rhn s ASN 122 N -0.35 5.00 -0.02 3.03 0.01 -1.26 -5.13 114.94 116.21 4rhn s ASN 122 Ca 0.23 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 52.14 4rhn s ASN 122 Cb -0.16 -0.44 0.00 0.00 0.41 0.00 0.00 41.25 41.07 4rhn s ASN 122 CO 0.11 -1.36 -0.07 0.86 -1.51 0.00 0.00 177.10 175.13 4rhn s TRP 123 N -2.83 0.74 0.88 2.20 -0.11 -1.26 -4.26 118.94 114.31 4rhn s TRP 123 Ca 0.60 -0.16 -0.10 0.00 1.22 0.00 0.00 56.10 57.66 4rhn s TRP 123 Cb -0.08 -0.53 0.13 0.00 -1.50 0.00 0.00 33.47 31.49 4rhn s TRP 123 CO 0.40 -0.06 1.15 -1.25 -4.62 0.00 0.00 176.95 172.56 4rhn s PRO 124 N 0.11 1.24 -0.96 5.86 0.04 -1.26 -5.04 135.00 134.99 4rhn s PRO 124 Ca -0.01 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 62.48 4rhn s PRO 124 Cb -0.06 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.62 4rhn s PRO 124 CO -0.00 -2.46 3.08 -0.35 0.04 0.00 0.00 177.00 177.31 4rhn n PRO 125 N -4.04 3.17 -0.07 0.56 -0.04 -1.26 -5.21 135.00 128.11 4rhn n PRO 125 Ca 0.12 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 4rhn n PRO 125 Cb 0.52 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 4rhn n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87