#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1av5 n GLY 15 N 0.00 1.11 0.11 -0.02 0.00 -1.26 -4.11 105.19 101.01 1av5 n GLY 15 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1av5 n GLY 15 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1av5 n ASP 16 N 0.00 1.11 -3.82 1.61 -0.08 -1.26 -4.46 116.55 109.65 1av5 n ASP 16 Ca 0.00 0.19 -0.30 0.00 -1.51 0.00 0.00 54.79 53.18 1av5 n ASP 16 Cb 0.00 -0.04 0.26 0.00 2.34 0.00 0.00 41.12 43.68 1av5 n ASP 16 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1av5 s THR 17 N -2.55 1.52 0.34 5.18 -4.23 -1.26 -4.77 115.64 109.87 1av5 s THR 17 Ca -0.14 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1av5 s THR 17 Cb 0.07 -2.23 0.27 0.00 1.34 0.00 0.00 72.50 71.95 1av5 s THR 17 CO 0.78 0.00 2.00 0.40 -0.54 0.00 0.00 174.62 177.26 1av5 h ILE 18 N -2.93 1.16 0.00 2.99 2.04 -1.98 -0.98 117.51 117.82 1av5 h ILE 18 Ca -0.48 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1av5 h ILE 18 Cb 1.33 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1av5 h ILE 18 CO 0.36 0.17 0.00 -0.26 0.00 0.00 0.00 178.15 178.42 1av5 h PHE 19 N 0.91 0.00 0.17 1.37 -1.00 -1.96 -1.44 116.94 114.99 1av5 h PHE 19 Ca 0.26 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.74 1av5 h PHE 19 Cb -0.07 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.50 1av5 h PHE 19 CO -0.00 0.00 -1.36 0.78 -1.61 0.00 0.00 178.31 176.12 1av5 h GLY 20 N 3.51 0.40 1.38 -1.45 0.00 -1.45 -2.48 103.07 102.98 1av5 h GLY 20 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 47.33 46.25 1av5 h GLY 20 CO 0.00 0.90 0.06 0.50 0.00 0.00 0.00 176.54 178.00 1av5 h LYS 21 N 0.10 0.77 0.00 4.80 1.57 -0.81 -1.76 116.57 121.24 1av5 h LYS 21 Ca -0.19 -0.17 -0.25 0.00 -1.87 0.00 0.00 60.65 58.17 1av5 h LYS 21 Cb 2.04 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 34.25 1av5 h LYS 21 CO 0.22 0.73 -1.00 0.82 -0.57 0.00 0.00 179.45 179.66 1av5 h ILE 22 N 0.73 1.34 -0.00 1.86 1.08 -1.34 0.94 117.51 122.12 1av5 h ILE 22 Ca 0.15 -2.35 -0.06 0.00 -0.39 0.00 0.00 64.86 62.22 1av5 h ILE 22 Cb 0.35 2.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 1av5 h ILE 22 CO 0.01 0.71 -0.27 0.40 -0.69 0.00 0.00 178.15 178.32 1av5 h ILE 23 N 0.31 1.19 -0.88 -0.67 2.04 -1.12 -2.35 117.51 116.03 1av5 h ILE 23 Ca -0.11 -0.91 -0.41 0.00 1.00 0.00 0.00 64.86 64.43 1av5 h ILE 23 Cb 1.64 1.49 -0.24 0.00 -0.74 0.00 0.00 36.82 38.97 1av5 h ILE 23 CO 0.19 0.26 0.50 0.54 0.00 0.00 0.00 178.15 179.64 1av5 n ARG 24 N -4.22 2.67 -1.26 2.37 1.74 -0.69 -4.90 116.66 112.36 1av5 n ARG 24 Ca -0.02 -3.05 -0.02 0.00 -0.77 0.00 0.00 57.85 53.99 1av5 n ARG 24 Cb 0.32 -2.17 -0.01 0.00 -1.02 0.00 0.00 32.46 29.58 1av5 n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1av5 n LYS 25 N -0.85 -1.30 0.05 5.56 4.01 -0.88 -4.82 118.16 119.93 1av5 n LYS 25 Ca 0.53 0.13 -0.13 0.00 -0.51 0.00 0.00 58.31 58.34 1av5 n LYS 25 Cb 1.55 -4.24 -0.08 0.00 -0.51 0.00 0.00 35.03 31.76 1av5 n LYS 25 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1av5 h GLU 26 N 0.00 -0.06 -6.22 1.97 4.57 -1.08 -3.41 114.58 110.34 1av5 h GLU 26 Ca -0.05 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.45 1av5 h GLU 26 Cb 0.27 0.01 -0.20 0.00 -0.16 0.00 0.00 28.75 28.68 1av5 h GLU 26 CO 0.07 0.03 -0.72 0.42 -1.18 0.00 0.00 179.01 177.64 1av5 s ILE 27 N -5.88 3.53 0.83 2.32 1.01 -1.24 -5.06 121.20 116.71 1av5 s ILE 27 Ca -0.14 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 1av5 s ILE 27 Cb 0.05 -2.45 0.20 0.00 0.01 0.00 0.00 42.46 40.27 1av5 s ILE 27 CO 0.66 0.55 0.89 -0.81 0.00 0.00 0.00 174.94 176.23 1av5 n PRO 28 N 2.09 -1.83 -3.60 2.79 -0.04 -1.26 -4.53 135.00 128.61 1av5 n PRO 28 Ca -0.17 -1.41 -0.10 0.00 -0.04 0.00 0.00 63.50 61.78 1av5 n PRO 28 Cb 0.53 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 1av5 n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1av5 s ALA 29 N -3.47 -1.94 -1.13 0.55 0.00 -1.26 -5.00 121.76 109.52 1av5 s ALA 29 Ca 0.54 1.72 -0.21 0.00 0.00 0.00 0.00 51.96 54.01 1av5 s ALA 29 Cb -0.03 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.12 1av5 s ALA 29 CO 0.40 -0.28 1.57 0.21 0.00 0.00 0.00 175.76 177.66 1av5 s LYS 30 N -0.43 3.73 -0.07 0.00 2.20 -1.26 -4.93 119.74 118.97 1av5 s LYS 30 Ca 0.00 -1.45 -0.30 0.00 -0.36 0.00 0.00 55.97 53.87 1av5 s LYS 30 Cb -0.03 -5.43 -0.06 0.00 -1.51 0.00 0.00 37.83 30.81 1av5 s LYS 30 CO -0.02 -2.25 1.77 0.42 -0.36 0.00 0.00 175.35 174.91 1av5 s ILE 31 N 4.78 3.41 -0.02 5.43 -1.09 -1.26 -2.93 121.20 129.53 1av5 s ILE 31 Ca 0.49 0.49 -0.04 0.00 -2.23 0.00 0.00 60.65 59.37 1av5 s ILE 31 Cb 0.01 -3.35 -0.28 0.00 -1.58 0.00 0.00 42.46 37.27 1av5 s ILE 31 CO -0.03 -0.08 0.78 0.40 -1.23 0.00 0.00 174.94 174.79 1av5 h ILE 32 N 5.79 1.07 -2.40 2.92 2.04 -0.98 -3.49 117.51 122.46 1av5 h ILE 32 Ca -0.41 -2.71 -0.04 0.00 1.00 0.00 0.00 64.86 62.69 1av5 h ILE 32 Cb 1.19 2.72 -0.16 0.00 -0.74 0.00 0.00 36.82 39.84 1av5 h ILE 32 CO 0.96 0.81 0.21 0.12 0.00 0.00 0.00 178.15 180.25 1av5 s PHE 33 N -2.61 -0.60 0.07 1.37 5.36 -1.05 -5.00 117.98 115.51 1av5 s PHE 33 Ca -0.11 0.78 -0.17 0.00 -0.96 0.00 0.00 56.93 56.48 1av5 s PHE 33 Cb 0.07 0.47 0.03 0.00 -0.34 0.00 0.00 43.02 43.25 1av5 s PHE 33 CO 0.85 -0.70 0.39 -1.83 -1.46 0.00 0.00 175.22 172.47 1av5 s GLU 34 N -2.25 0.94 0.19 10.12 1.03 -1.26 -0.60 118.70 126.87 1av5 s GLU 34 Ca -0.06 -0.48 -0.09 0.00 0.03 0.00 0.00 54.97 54.38 1av5 s GLU 34 Cb -0.00 0.42 0.03 0.00 -0.80 0.00 0.00 34.13 33.78 1av5 s GLU 34 CO 0.00 -0.33 0.45 -0.40 -1.33 0.00 0.00 175.26 173.65 1av5 n ASP 35 N 0.31 -1.19 0.27 0.83 5.75 -0.88 -5.00 116.55 116.64 1av5 n ASP 35 Ca -0.18 -1.79 0.10 0.00 -0.01 0.00 0.00 54.79 52.90 1av5 n ASP 35 Cb 0.61 1.98 0.70 0.00 -1.03 0.00 0.00 41.12 43.38 1av5 n ASP 35 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1av5 h ASP 36 N 1.07 0.00 0.00 -1.12 2.03 -2.04 -3.32 116.42 113.03 1av5 h ASP 36 Ca -0.18 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 55.86 1av5 h ASP 36 Cb 0.66 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.11 1av5 h ASP 36 CO 0.22 0.01 -2.13 0.54 -1.03 0.00 0.00 179.24 176.85 1av5 n ARG 37 N -4.35 1.11 -4.04 4.15 1.74 -1.26 -4.86 116.66 109.14 1av5 n ARG 37 Ca -0.03 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 56.90 1av5 n ARG 37 Cb 0.09 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 1av5 n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1av5 s LEU 39 N -3.12 0.66 -0.13 0.00 2.96 -0.30 -2.08 118.68 116.65 1av5 s LEU 39 Ca 0.27 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 1av5 s LEU 39 Cb -0.00 0.58 -0.00 0.00 0.50 0.00 0.00 46.19 47.26 1av5 s LEU 39 CO 0.14 -0.14 -0.17 0.00 -1.32 0.00 0.00 176.35 174.85 1av5 s ALA 40 N 1.06 2.43 0.02 5.97 0.00 0.23 -1.54 121.76 129.93 1av5 s ALA 40 Ca -0.08 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 1av5 s ALA 40 Cb -0.10 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.92 1av5 s ALA 40 CO -0.06 0.13 0.13 -0.59 0.00 0.00 0.00 175.76 175.37 1av5 s PHE 41 N 0.56 0.10 0.58 0.00 -0.71 -0.80 -0.24 117.98 117.46 1av5 s PHE 41 Ca -0.11 -0.28 -0.19 0.00 -1.04 0.00 0.00 56.93 55.31 1av5 s PHE 41 Cb -0.16 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 1av5 s PHE 41 CO 0.04 -0.34 1.19 -1.01 -1.34 0.00 0.00 175.22 173.76 1av5 s HIS 42 N -1.99 2.46 -0.00 3.49 3.76 -1.15 -1.20 115.29 120.65 1av5 s HIS 42 Ca -0.10 1.52 -0.22 0.00 -0.15 0.00 0.00 55.06 56.11 1av5 s HIS 42 Cb -0.04 -3.44 -0.05 0.00 1.11 0.00 0.00 32.58 30.15 1av5 s HIS 42 CO -0.01 -2.07 0.64 0.34 -0.85 0.00 0.00 174.74 172.79 1av5 s ASP 43 N -1.62 7.02 0.00 1.40 -1.08 -0.43 -4.79 116.67 117.17 1av5 s ASP 43 Ca 0.76 1.22 0.21 0.00 -0.52 0.00 0.00 52.55 54.22 1av5 s ASP 43 Cb -0.29 -2.39 0.97 0.00 -1.46 0.00 0.00 42.92 39.74 1av5 s ASP 43 CO 0.32 0.05 1.68 2.30 0.52 0.00 0.00 175.17 180.04 1av5 n ILE 44 N 2.89 0.47 -3.21 4.11 -5.35 -1.26 -3.50 119.36 113.52 1av5 n ILE 44 Ca -0.05 0.12 -0.23 0.00 -0.27 0.00 0.00 62.75 62.31 1av5 n ILE 44 Cb 0.51 -0.76 -0.06 0.00 -1.74 0.00 0.00 39.64 37.58 1av5 n ILE 44 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1av5 n SER 45 N -1.42 1.01 -4.69 7.28 7.64 -1.26 -5.11 113.62 117.07 1av5 n SER 45 Ca 0.07 -2.91 -0.44 0.00 1.01 0.00 0.00 58.87 56.61 1av5 n SER 45 Cb 0.22 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 1av5 n SER 45 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1av5 n PRO 46 N 1.03 2.56 0.00 1.43 -0.04 -1.23 -4.93 135.00 133.82 1av5 n PRO 46 Ca 0.24 0.93 0.11 0.00 -0.04 0.00 0.00 63.50 64.73 1av5 n PRO 46 Cb 0.53 -2.78 0.03 0.00 -0.04 0.00 0.00 33.50 31.24 1av5 n PRO 46 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1av5 n GLN 47 N 5.00 1.57 -3.99 0.54 1.13 -1.26 -4.94 117.38 115.43 1av5 n GLN 47 Ca 0.18 -1.23 -0.09 0.00 -1.94 0.00 0.00 57.00 53.92 1av5 n GLN 47 Cb 0.34 -1.43 -0.06 0.00 0.11 0.00 0.00 30.24 29.20 1av5 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1av5 s ALA 48 N -2.19 -0.12 0.12 -1.58 0.00 -1.26 -5.06 121.76 111.68 1av5 s ALA 48 Ca 0.20 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 1av5 s ALA 48 Cb 0.17 1.04 -0.06 0.00 0.00 0.00 0.00 23.12 24.27 1av5 s ALA 48 CO 0.45 -0.79 1.62 -1.35 0.00 0.00 0.00 175.76 175.70 1av5 h PRO 49 N 2.34 -0.46 -4.51 0.00 0.11 -1.82 -3.34 132.00 124.32 1av5 h PRO 49 Ca -0.28 0.03 -0.72 0.00 0.11 0.00 0.00 66.00 65.14 1av5 h PRO 49 Cb 1.25 0.10 -0.24 0.00 0.11 0.00 0.00 31.00 32.22 1av5 h PRO 49 CO 0.40 -0.30 -0.46 0.99 -0.21 0.00 0.00 178.00 178.41 1av5 s THR 50 N -6.02 4.77 -0.18 -1.15 2.01 -0.63 -4.97 115.64 109.47 1av5 s THR 50 Ca -0.16 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 60.89 1av5 s THR 50 Cb 0.09 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.93 1av5 s THR 50 CO 0.65 -0.34 0.04 -2.28 -0.69 0.00 0.00 174.62 172.00 1av5 s HIS 51 N 1.57 0.91 0.18 4.92 5.04 -1.26 0.91 115.29 127.57 1av5 s HIS 51 Ca 0.03 -0.73 0.06 0.00 -1.54 0.00 0.00 55.06 52.88 1av5 s HIS 51 Cb -0.20 -0.97 -0.05 0.00 0.04 0.00 0.00 32.58 31.40 1av5 s HIS 51 CO 0.07 -0.57 -0.13 -0.59 -2.34 0.00 0.00 174.74 171.18 1av5 s PHE 52 N 1.90 1.54 0.12 3.88 -0.12 -0.19 -1.32 117.98 123.79 1av5 s PHE 52 Ca -0.00 -0.64 0.11 0.00 -0.05 0.00 0.00 56.93 56.34 1av5 s PHE 52 Cb -0.16 -0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 41.45 1av5 s PHE 52 CO -0.08 0.25 -0.26 -0.51 -0.05 0.00 0.00 175.22 174.58 1av5 s LEU 53 N -3.26 2.35 -0.16 -1.99 1.43 -0.34 -0.28 118.68 116.42 1av5 s LEU 53 Ca 0.20 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1av5 s LEU 53 Cb 0.01 -1.25 0.04 0.00 0.03 0.00 0.00 46.19 45.01 1av5 s LEU 53 CO 0.04 0.18 -0.04 -0.69 0.23 0.00 0.00 176.35 176.08 1av5 s VAL 54 N -1.05 1.00 0.11 -1.59 1.01 0.52 -1.90 120.40 118.50 1av5 s VAL 54 Ca 0.14 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.64 1av5 s VAL 54 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1av5 s VAL 54 CO 0.06 0.10 -0.18 0.27 0.00 0.00 0.00 175.10 175.35 1av5 s ILE 55 N 1.68 2.82 0.44 2.22 -4.36 -0.59 -0.23 121.20 123.18 1av5 s ILE 55 Ca 0.01 -1.48 -0.09 0.00 -0.26 0.00 0.00 60.65 58.83 1av5 s ILE 55 Cb -0.15 -2.28 -0.06 0.00 1.25 0.00 0.00 42.46 41.22 1av5 s ILE 55 CO -0.07 0.12 0.79 -2.16 0.24 0.00 0.00 174.94 173.86 1av5 s PRO 56 N -2.07 3.71 0.25 0.37 0.04 -1.26 -1.16 135.00 134.89 1av5 s PRO 56 Ca 0.17 0.43 0.11 0.00 0.04 0.00 0.00 61.00 61.75 1av5 s PRO 56 Cb -0.11 -2.36 0.21 0.00 0.04 0.00 0.00 34.50 32.28 1av5 s PRO 56 CO 0.09 -0.11 1.52 0.87 0.04 0.00 0.00 177.00 179.41 1av5 h LYS 57 N 0.91 0.00 -6.64 4.56 1.57 -1.27 -3.44 116.57 112.26 1av5 h LYS 57 Ca -0.47 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.80 1av5 h LYS 57 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1av5 h LYS 57 CO 0.63 0.68 0.23 -1.59 -0.57 0.00 0.00 179.45 178.83 1av5 s LYS 58 N -3.28 4.58 -0.62 3.15 -2.85 -1.26 0.10 119.74 119.56 1av5 s LYS 58 Ca 0.00 1.21 -0.28 0.00 -1.00 0.00 0.00 55.97 55.91 1av5 s LYS 58 Cb 0.11 -3.13 0.02 0.00 -2.06 0.00 0.00 37.83 32.77 1av5 s LYS 58 CO 0.76 0.48 1.38 -1.58 0.10 0.00 0.00 175.35 176.49 1av5 s HIS 59 N -1.29 2.28 -0.13 1.78 5.65 -1.26 -4.86 115.29 117.45 1av5 s HIS 59 Ca 0.40 0.33 0.02 0.00 0.25 0.00 0.00 55.06 56.07 1av5 s HIS 59 Cb -0.22 -4.46 0.00 0.00 -1.18 0.00 0.00 32.58 26.73 1av5 s HIS 59 CO 0.26 -1.97 -0.21 0.42 -0.65 0.00 0.00 174.74 172.59 1av5 s ILE 60 N 6.05 2.22 0.01 0.89 1.01 -1.26 -5.04 121.20 125.07 1av5 s ILE 60 Ca 0.47 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 1av5 s ILE 60 Cb -0.10 -1.89 -0.29 0.00 0.01 0.00 0.00 42.46 40.19 1av5 s ILE 60 CO 0.22 0.54 0.90 0.77 0.00 0.00 0.00 174.94 177.37 1av5 h SER 61 N 7.18 0.50 -5.07 3.58 4.64 -1.91 0.38 113.55 122.85 1av5 h SER 61 Ca -0.30 -0.64 -0.11 0.00 -0.47 0.00 0.00 61.79 60.28 1av5 h SER 61 Cb 1.20 -0.16 -0.17 0.00 -0.31 0.00 0.00 62.40 62.95 1av5 h SER 61 CO 0.54 1.52 -0.39 0.00 -0.87 0.00 0.00 176.83 177.64 1av5 s GLN 62 N -2.62 0.69 0.58 4.77 0.00 -1.26 0.10 119.66 121.93 1av5 s GLN 62 Ca -0.09 -0.61 0.33 0.00 -0.00 0.00 0.00 55.36 54.99 1av5 s GLN 62 Cb 0.06 0.29 1.81 0.00 0.00 0.00 0.00 33.01 35.17 1av5 s GLN 62 CO 0.87 -0.20 2.20 0.97 0.00 0.00 0.00 175.29 179.13 1av5 h ILE 63 N 3.47 0.36 0.00 3.63 6.09 -1.93 -2.81 117.51 126.33 1av5 h ILE 63 Ca -0.32 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 1av5 h ILE 63 Cb 1.19 1.17 0.00 0.00 0.47 0.00 0.00 36.82 39.66 1av5 h ILE 63 CO 0.48 0.04 0.00 0.77 -3.07 0.00 0.00 178.15 176.37 1av5 h SER 64 N 0.00 0.00 0.35 2.19 4.64 -1.97 -3.15 113.55 115.61 1av5 h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1av5 h SER 64 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1av5 h SER 64 CO 0.01 0.00 -0.23 1.33 -0.87 0.00 0.00 176.83 177.06 1av5 n VAL 65 N -3.06 0.00 -2.25 0.95 0.24 -1.06 -4.92 118.33 108.23 1av5 n VAL 65 Ca 0.04 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.34 61.85 1av5 n VAL 65 Cb 0.51 0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.02 1av5 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1av5 s ALA 66 N -2.59 3.50 0.61 2.33 0.00 -1.19 -5.04 121.76 119.38 1av5 s ALA 66 Ca 0.23 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 1av5 s ALA 66 Cb 0.19 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.89 1av5 s ALA 66 CO 0.53 -0.49 0.89 -1.21 0.00 0.00 0.00 175.76 175.48 1av5 s GLU 67 N -0.46 2.54 0.41 0.00 2.02 -1.26 -4.94 118.70 117.01 1av5 s GLU 67 Ca 0.54 -0.36 0.29 0.00 0.02 0.00 0.00 54.97 55.46 1av5 s GLU 67 Cb -0.36 -2.31 1.26 0.00 0.10 0.00 0.00 34.13 32.82 1av5 s GLU 67 CO 0.40 -0.88 1.87 -0.44 0.02 0.00 0.00 175.26 176.22 1av5 h ASP 68 N -0.23 0.00 0.39 -0.19 3.32 -2.01 -2.39 116.42 115.31 1av5 h ASP 68 Ca -0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 1av5 h ASP 68 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1av5 h ASP 68 CO 0.58 0.00 -0.38 0.44 -1.72 0.00 0.00 179.24 178.16 1av5 h ASP 69 N 0.00 0.00 -0.25 6.45 3.32 -2.03 -2.84 116.42 121.07 1av5 h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1av5 h ASP 69 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1av5 h ASP 69 CO 0.00 0.38 0.00 0.47 -1.72 0.00 0.00 179.24 178.37 1av5 n ASP 70 N -4.07 1.76 -0.16 6.45 8.00 -0.90 -4.39 116.55 123.25 1av5 n ASP 70 Ca -0.02 -2.09 -0.08 0.00 0.71 0.00 0.00 54.79 53.31 1av5 n ASP 70 Cb 0.42 -0.28 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1av5 n ASP 70 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1av5 h GLU 71 N 1.50 0.63 0.00 -1.24 4.81 -1.66 -0.53 114.58 118.09 1av5 h GLU 71 Ca 0.00 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 1av5 h GLU 71 Cb 0.54 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1av5 h GLU 71 CO 0.05 0.47 -0.75 0.77 -0.73 0.00 0.00 179.01 178.82 1av5 h SER 72 N 0.62 0.00 -0.12 1.04 0.02 -1.85 -0.53 113.55 112.73 1av5 h SER 72 Ca 0.17 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1av5 h SER 72 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1av5 h SER 72 CO -0.03 0.75 -0.39 0.25 -1.14 0.00 0.00 176.83 176.26 1av5 h LEU 73 N 0.00 0.68 -0.09 5.07 5.85 -1.76 0.81 115.31 125.87 1av5 h LEU 73 Ca -0.01 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1av5 h LEU 73 Cb 1.37 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1av5 h LEU 73 CO 0.10 1.00 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.97 1av5 h LEU 74 N 0.53 0.30 -1.72 2.25 3.38 -1.04 -1.57 115.31 117.43 1av5 h LEU 74 Ca 0.05 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1av5 h LEU 74 Cb 0.91 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1av5 h LEU 74 CO 0.08 0.78 0.26 1.23 0.09 0.00 0.00 178.44 180.88 1av5 h GLY 75 N -0.18 0.42 0.86 0.83 0.00 -0.92 -2.45 103.07 101.62 1av5 h GLY 75 Ca 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1av5 h GLY 75 CO 0.04 0.12 -0.03 0.84 0.00 0.00 0.00 176.54 177.50 1av5 h HIS 76 N 0.36 0.54 -0.89 5.60 -0.00 -0.69 0.18 115.15 120.25 1av5 h HIS 76 Ca 0.16 -0.11 0.09 0.00 -0.00 0.00 0.00 60.37 60.51 1av5 h HIS 76 Cb 0.19 -0.14 -0.07 0.00 -0.00 0.00 0.00 27.41 27.39 1av5 h HIS 76 CO -0.00 0.68 0.54 -0.07 -0.00 0.00 0.00 177.93 179.08 1av5 h LEU 77 N 0.25 0.81 -0.37 0.26 3.38 -0.83 0.19 115.31 119.00 1av5 h LEU 77 Ca 0.07 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1av5 h LEU 77 Cb 0.48 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1av5 h LEU 77 CO 0.02 0.48 0.01 0.24 0.09 0.00 0.00 178.44 179.28 1av5 h MET 78 N 0.92 0.64 -0.88 1.13 2.86 -1.07 0.15 114.93 118.68 1av5 h MET 78 Ca 0.41 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1av5 h MET 78 Cb 0.31 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 1av5 h MET 78 CO -0.22 0.74 0.52 0.82 1.06 0.00 0.00 176.91 179.83 1av5 h ILE 79 N 0.46 1.24 -0.15 -1.22 1.08 0.12 -1.18 117.51 117.87 1av5 h ILE 79 Ca 0.11 -0.55 -0.15 0.00 -0.39 0.00 0.00 64.86 63.88 1av5 h ILE 79 Cb 0.44 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 1av5 h ILE 79 CO 0.02 0.26 -0.56 0.58 -0.69 0.00 0.00 178.15 177.76 1av5 h VAL 80 N 1.22 1.34 0.46 1.67 2.07 -0.90 -1.81 116.25 120.30 1av5 h VAL 80 Ca 0.32 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1av5 h VAL 80 Cb -0.04 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1av5 h VAL 80 CO -0.06 0.56 -0.38 1.23 0.02 0.00 0.00 177.57 178.94 1av5 h GLY 81 N 1.17 -0.94 1.49 2.17 0.00 -0.11 0.26 103.07 107.11 1av5 h GLY 81 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.79 1av5 h GLY 81 CO 0.10 -0.33 0.30 0.07 0.00 0.00 0.00 176.54 176.68 1av5 h LYS 82 N -0.84 0.51 0.19 4.80 2.10 -1.07 -1.45 116.57 120.82 1av5 h LYS 82 Ca -0.05 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 1av5 h LYS 82 Cb 0.72 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1av5 h LYS 82 CO -0.01 0.34 -0.09 0.87 -2.00 0.00 0.00 179.45 178.55 1av5 h LYS 83 N 0.52 -0.25 -0.43 0.07 1.79 -0.84 -2.43 116.57 115.01 1av5 h LYS 83 Ca 0.17 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1av5 h LYS 83 Cb 0.05 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1av5 h LYS 83 CO -0.04 -0.02 0.21 0.00 -1.08 0.00 0.00 179.45 178.52 1av5 h ALA 85 N 1.06 0.77 -0.17 0.00 0.00 -1.32 0.69 119.26 120.29 1av5 h ALA 85 Ca 0.15 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1av5 h ALA 85 Cb 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1av5 h ALA 85 CO -0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 179.25 178.76 1av5 h ALA 86 N 1.39 1.16 0.00 0.00 0.00 -0.99 0.58 119.26 121.40 1av5 h ALA 86 Ca 0.29 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1av5 h ALA 86 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1av5 h ALA 86 CO -0.27 0.54 -0.33 -0.44 0.00 0.00 0.00 179.25 178.75 1av5 h ASP 87 N 0.29 0.00 -0.54 0.00 5.19 0.12 -2.61 116.42 118.87 1av5 h ASP 87 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1av5 h ASP 87 Cb 0.70 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1av5 h ASP 87 CO 0.05 0.16 0.00 0.18 -3.12 0.00 0.00 179.24 176.51 1av5 n LEU 88 N -3.07 4.28 -2.70 1.55 4.77 0.23 -4.94 117.00 117.12 1av5 n LEU 88 Ca 0.02 -2.16 -0.22 0.00 -0.03 0.00 0.00 56.01 53.63 1av5 n LEU 88 Cb 0.60 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1av5 n LEU 88 CO 0.37 0.68 -0.14 0.61 -1.33 0.00 0.00 177.39 177.58 1av5 n GLY 89 N 0.93 -0.51 2.06 -0.72 0.00 -0.82 -4.90 105.19 101.24 1av5 n GLY 89 Ca 0.22 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 1av5 n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1av5 n LEU 90 N -3.49 5.87 0.33 0.99 4.77 0.20 -4.68 117.00 120.98 1av5 n LEU 90 Ca -0.18 -3.39 0.19 0.00 -0.03 0.00 0.00 56.01 52.60 1av5 n LEU 90 Cb 0.66 -1.44 1.03 0.00 -2.33 0.00 0.00 43.42 41.34 1av5 n LEU 90 CO 0.37 1.76 1.14 -0.55 -1.33 0.00 0.00 177.39 178.78 1av5 h ASN 91 N 3.40 0.00 0.78 -1.43 7.08 -1.90 -2.54 115.58 120.97 1av5 h ASN 91 Ca 0.32 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.54 1av5 h ASN 91 Cb 1.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 1av5 h ASN 91 CO 0.53 0.00 -0.45 0.29 -2.08 0.00 0.00 177.43 175.71 1av5 n LYS 92 N -2.95 0.14 0.00 4.14 4.76 -1.26 -5.03 118.16 117.96 1av5 n LYS 92 Ca -0.03 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1av5 n LYS 92 Cb 0.19 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1av5 n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1av5 n GLY 93 N 1.42 1.69 3.77 0.72 0.00 -0.96 -5.11 105.19 106.73 1av5 n GLY 93 Ca 0.05 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1av5 n GLY 93 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1av5 s TYR 94 N -1.32 -0.02 -0.02 1.61 -0.85 -1.26 -4.52 117.35 110.96 1av5 s TYR 94 Ca 0.00 -0.16 -0.02 0.00 -0.52 0.00 0.00 57.07 56.37 1av5 s TYR 94 Cb 0.00 0.59 0.01 0.00 0.38 0.00 0.00 41.96 42.94 1av5 s TYR 94 CO 0.00 -0.45 0.06 0.50 -1.52 0.00 0.00 175.55 174.14 1av5 s ARG 95 N -2.41 0.05 -0.10 -3.49 3.52 0.46 -4.94 118.95 112.04 1av5 s ARG 95 Ca 0.19 0.11 -0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1av5 s ARG 95 Cb 0.02 -0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 1av5 s ARG 95 CO -0.01 -0.04 -0.08 -1.64 -0.81 0.00 0.00 175.30 172.72 1av5 s MET 96 N 0.26 3.11 -0.02 5.12 -1.94 -1.25 0.40 119.30 124.99 1av5 s MET 96 Ca -0.02 -0.59 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 1av5 s MET 96 Cb -0.03 -2.66 0.02 0.00 2.01 0.00 0.00 34.83 34.17 1av5 s MET 96 CO -0.01 0.45 -0.00 0.08 -0.01 0.00 0.00 175.02 175.52 1av5 s VAL 97 N -0.23 0.13 -0.06 -6.03 1.01 -0.52 -4.94 120.40 109.77 1av5 s VAL 97 Ca 0.03 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1av5 s VAL 97 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1av5 s VAL 97 CO 0.03 0.10 -0.25 -0.69 0.00 0.00 0.00 175.10 174.28 1av5 s VAL 98 N 0.63 2.06 -0.20 2.92 1.01 -1.26 -0.60 120.40 124.96 1av5 s VAL 98 Ca -0.06 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 1av5 s VAL 98 Cb -0.09 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1av5 s VAL 98 CO -0.01 0.57 0.13 0.20 0.00 0.00 0.00 175.10 175.99 1av5 s ASN 99 N -0.19 6.19 -0.14 3.32 0.01 -1.26 -5.06 114.94 117.81 1av5 s ASN 99 Ca -0.03 0.21 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 1av5 s ASN 99 Cb -0.14 -2.09 -0.00 0.00 0.41 0.00 0.00 41.25 39.43 1av5 s ASN 99 CO 0.03 0.17 -0.16 -0.70 -1.51 0.00 0.00 177.10 174.93 1av5 s GLU 100 N 0.44 3.22 0.78 -0.60 2.56 -1.26 -4.78 118.70 119.05 1av5 s GLU 100 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 54.97 54.29 1av5 s GLU 100 Cb -0.11 -2.57 0.00 0.00 2.00 0.00 0.00 34.13 33.45 1av5 s GLU 100 CO -0.01 0.08 0.00 0.41 -0.56 0.00 0.00 175.26 175.18 1av5 n GLY 101 N 3.86 0.72 0.00 -1.50 0.00 -1.26 -1.39 105.19 105.61 1av5 n GLY 101 Ca -0.19 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1av5 n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1av5 n SER 102 N -3.77 0.00 -0.21 1.61 7.64 -1.26 -1.70 113.62 115.93 1av5 n SER 102 Ca 0.00 0.87 0.31 0.00 1.01 0.00 0.00 58.87 61.06 1av5 n SER 102 Cb 0.00 -0.37 0.72 0.00 -1.01 0.00 0.00 64.21 63.55 1av5 n SER 102 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1av5 h ASP 103 N 0.00 0.00 1.43 6.43 5.19 -1.97 0.49 116.42 127.99 1av5 h ASP 103 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1av5 h ASP 103 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1av5 h ASP 103 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1av5 n GLY 104 N -1.71 -1.68 1.07 2.75 0.00 -0.49 -4.94 105.19 100.19 1av5 n GLY 104 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1av5 n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1av5 n GLY 105 N 1.22 0.60 3.61 -0.02 0.00 0.17 -4.38 105.19 106.40 1av5 n GLY 105 Ca 0.05 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1av5 n GLY 105 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1av5 s GLN 106 N -3.95 3.76 0.00 1.61 0.74 -0.69 -4.88 119.66 116.25 1av5 s GLN 106 Ca 0.00 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.01 1av5 s GLN 106 Cb 0.00 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1av5 s GLN 106 CO 0.00 0.33 0.00 -1.13 -0.55 0.00 0.00 175.29 173.94 1av5 n SER 107 N 3.32 3.93 -4.49 6.67 3.41 -1.26 -4.68 113.62 120.53 1av5 n SER 107 Ca -0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.01 1av5 n SER 107 Cb 0.53 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 1av5 n SER 107 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1av5 s VAL 108 N -1.95 4.26 -1.14 -3.33 1.01 -1.26 -4.95 120.40 113.03 1av5 s VAL 108 Ca 0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1av5 s VAL 108 Cb 0.00 -4.81 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 1av5 s VAL 108 CO 0.00 -1.62 2.00 -1.22 0.00 0.00 0.00 175.10 174.26 1av5 n TYR 109 N 7.88 2.98 -3.38 5.22 4.01 -1.26 -4.69 117.16 127.92 1av5 n TYR 109 Ca 0.11 -2.31 0.02 0.00 -0.16 0.00 0.00 57.90 55.55 1av5 n TYR 109 Cb 0.48 -2.27 -0.04 0.00 -0.31 0.00 0.00 39.34 37.20 1av5 n TYR 109 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1av5 s HIS 110 N 5.13 -0.60 0.05 -0.72 2.46 0.11 -4.36 115.29 117.36 1av5 s HIS 110 Ca 0.55 1.05 -0.38 0.00 0.47 0.00 0.00 55.06 56.75 1av5 s HIS 110 Cb 0.11 0.36 -0.19 0.00 -0.13 0.00 0.00 32.58 32.73 1av5 s HIS 110 CO 0.04 -0.30 1.02 0.28 -2.47 0.00 0.00 174.74 173.31 1av5 n VAL 111 N 4.91 0.34 -3.64 0.89 0.31 0.13 -4.87 118.33 116.40 1av5 n VAL 111 Ca -0.09 -0.09 -0.06 0.00 -0.01 0.00 0.00 64.34 64.10 1av5 n VAL 111 Cb 0.53 -0.12 -0.07 0.00 -0.91 0.00 0.00 33.84 33.28 1av5 n VAL 111 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1av5 s HIS 112 N -0.12 -1.09 -0.19 3.52 -3.43 -1.26 -4.02 115.29 108.71 1av5 s HIS 112 Ca 0.85 2.12 -0.22 0.00 -0.80 0.00 0.00 55.06 57.02 1av5 s HIS 112 Cb -1.17 0.65 -0.02 0.00 -1.43 0.00 0.00 32.58 30.61 1av5 s HIS 112 CO 0.56 -0.54 0.67 -1.17 -2.00 0.00 0.00 174.74 172.26 1av5 s LEU 113 N 1.79 4.15 -0.05 5.38 2.96 0.69 -4.47 118.68 129.13 1av5 s LEU 113 Ca -0.09 0.90 -0.19 0.00 -0.22 0.00 0.00 54.13 54.53 1av5 s LEU 113 Cb -0.06 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.62 1av5 s LEU 113 CO -0.20 -0.30 0.52 -1.00 -1.32 0.00 0.00 176.35 174.06 1av5 s HIS 114 N 1.95 3.61 -0.11 5.38 3.76 0.23 -0.36 115.29 129.75 1av5 s HIS 114 Ca 0.31 1.04 0.02 0.00 -0.15 0.00 0.00 55.06 56.28 1av5 s HIS 114 Cb -0.16 -2.55 0.01 0.00 1.11 0.00 0.00 32.58 31.00 1av5 s HIS 114 CO 0.11 0.31 -0.17 0.08 -0.85 0.00 0.00 174.74 174.21 1av5 s VAL 115 N 0.06 1.66 -0.02 -0.90 1.01 0.62 -1.44 120.40 121.39 1av5 s VAL 115 Ca 0.28 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1av5 s VAL 115 Cb -0.17 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1av5 s VAL 115 CO 0.14 0.47 -0.16 -0.76 0.00 0.00 0.00 175.10 174.79 1av5 s LEU 116 N 0.89 2.01 0.00 3.92 1.02 0.16 -1.02 118.68 125.66 1av5 s LEU 116 Ca -0.08 -0.30 -0.07 0.00 0.02 0.00 0.00 54.13 53.70 1av5 s LEU 116 Cb -0.15 -0.85 0.03 0.00 0.02 0.00 0.00 46.19 45.24 1av5 s LEU 116 CO -0.01 0.19 0.40 0.61 0.02 0.00 0.00 176.35 177.56 1av5 n GLY 117 N 2.76 1.62 0.23 -3.19 0.00 0.26 -0.40 105.19 106.47 1av5 n GLY 117 Ca -0.15 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1av5 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1av5 n GLY 118 N -0.29 2.70 3.83 -0.02 0.00 -1.26 -1.60 105.19 108.54 1av5 n GLY 118 Ca -0.04 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 1av5 n GLY 118 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1av5 s ARG 119 N 0.00 2.35 0.19 1.61 1.70 -1.26 -4.92 118.95 118.62 1av5 s ARG 119 Ca 0.00 -1.77 -0.30 0.00 -0.47 0.00 0.00 55.73 53.19 1av5 s ARG 119 Cb 0.00 -2.15 -0.08 0.00 -0.57 0.00 0.00 34.95 32.15 1av5 s ARG 119 CO 0.00 -0.25 1.21 -1.14 -1.08 0.00 0.00 175.30 174.04 1av5 s GLN 120 N -4.07 4.48 -0.08 3.89 2.00 -1.26 -4.97 119.66 119.65 1av5 s GLN 120 Ca 0.42 1.90 -0.10 0.00 -2.00 0.00 0.00 55.36 55.59 1av5 s GLN 120 Cb -0.00 -3.23 -0.05 0.00 0.80 0.00 0.00 33.01 30.54 1av5 s GLN 120 CO 0.24 -0.10 0.24 -1.64 -0.50 0.00 0.00 175.29 173.53 1av5 s MET 121 N -0.31 3.61 0.32 1.67 -1.94 -1.26 -5.09 119.30 116.30 1av5 s MET 121 Ca 0.53 0.07 0.04 0.00 -1.71 0.00 0.00 55.69 54.61 1av5 s MET 121 Cb -0.33 -3.20 -0.02 0.00 2.01 0.00 0.00 34.83 33.29 1av5 s MET 121 CO 0.37 0.75 0.48 -1.01 -0.01 0.00 0.00 175.02 175.60 1av5 s HIS 122 N -1.05 3.34 -0.05 -0.03 0.09 -1.26 -5.13 115.29 111.20 1av5 s HIS 122 Ca 0.18 0.04 0.07 0.00 -0.00 0.00 0.00 55.06 55.35 1av5 s HIS 122 Cb -0.14 -1.86 -0.01 0.00 -0.00 0.00 0.00 32.58 30.57 1av5 s HIS 122 CO 0.07 0.13 -0.25 -0.46 -0.00 0.00 0.00 174.74 174.23 1av5 s TRP 123 N -2.19 2.40 0.81 1.40 -0.11 -1.26 -4.13 118.94 115.86 1av5 s TRP 123 Ca 0.40 -0.65 -0.11 0.00 1.22 0.00 0.00 56.10 56.97 1av5 s TRP 123 Cb -0.09 -1.57 0.08 0.00 -1.50 0.00 0.00 33.47 30.39 1av5 s TRP 123 CO 0.32 -0.17 1.09 -1.25 -4.62 0.00 0.00 176.95 172.33 1av5 s PRO 124 N -0.28 1.98 -1.55 5.86 0.04 -1.26 -5.02 135.00 134.77 1av5 s PRO 124 Ca -0.00 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 1av5 s PRO 124 Cb -0.13 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1av5 s PRO 124 CO 0.02 -1.83 2.97 -0.35 0.04 0.00 0.00 177.00 177.86 1av5 n PRO 125 N -3.64 3.60 -0.33 0.56 -0.04 -1.26 -5.22 135.00 128.66 1av5 n PRO 125 Ca 0.09 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1av5 n PRO 125 Cb 0.53 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1av5 n PRO 125 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87