#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ir1 s PHE 13 N 0.00 3.31 -0.28 4.31 5.36 -1.26 -5.03 117.98 124.39 1ir1 s PHE 13 Ca 0.00 0.69 0.02 0.00 -0.96 0.00 0.00 56.93 56.68 1ir1 s PHE 13 Cb 0.00 -2.69 0.08 0.00 -0.34 0.00 0.00 43.02 40.07 1ir1 s PHE 13 CO 0.00 -0.20 -0.00 0.21 -1.46 0.00 0.00 175.22 173.77 1ir1 s LYS 14 N 2.00 1.50 0.61 10.12 2.20 -1.26 -5.11 119.74 129.79 1ir1 s LYS 14 Ca 0.22 -1.32 -0.19 0.00 -0.36 0.00 0.00 55.97 54.32 1ir1 s LYS 14 Cb -0.15 -2.71 -0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1ir1 s LYS 14 CO 0.09 -0.77 1.28 0.00 -0.36 0.00 0.00 175.35 175.59 1ir1 s ALA 15 N 1.25 2.50 0.00 3.13 0.00 -1.26 -4.84 121.76 122.54 1ir1 s ALA 15 Ca 0.02 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1ir1 s ALA 15 Cb -0.19 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1ir1 s ALA 15 CO -0.10 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1ir1 n GLY 16 N 0.76 2.96 3.75 0.00 0.00 -1.26 -4.99 105.19 106.39 1ir1 n GLY 16 Ca 0.14 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 1ir1 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ir1 s VAL 17 N -2.01 5.24 0.18 1.61 1.01 -1.26 -1.53 120.40 123.64 1ir1 s VAL 17 Ca 0.00 0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1ir1 s VAL 17 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1ir1 s VAL 17 CO 0.00 0.40 -0.17 -0.54 0.00 0.00 0.00 175.10 174.80 1ir1 s LYS 18 N 0.26 1.27 0.46 2.72 1.02 -1.26 -5.01 119.74 119.19 1ir1 s LYS 18 Ca 0.20 -1.45 -0.24 0.00 0.02 0.00 0.00 55.97 54.50 1ir1 s LYS 18 Cb -0.14 -1.23 -0.07 0.00 -0.52 0.00 0.00 37.83 35.87 1ir1 s LYS 18 CO 0.07 0.23 1.24 -0.51 -0.92 0.00 0.00 175.35 175.47 1ir1 s ASP 19 N -2.86 6.05 0.29 2.83 1.01 -1.26 -4.92 116.67 117.80 1ir1 s ASP 19 Ca 0.17 2.50 -0.02 0.00 0.71 0.00 0.00 52.55 55.92 1ir1 s ASP 19 Cb -0.04 -2.62 0.43 0.00 1.01 0.00 0.00 42.92 41.70 1ir1 s ASP 19 CO 0.06 -1.02 1.92 1.88 0.21 0.00 0.00 175.17 178.23 1ir1 h TYR 20 N 2.15 0.98 -0.00 4.23 0.05 -1.93 -2.99 116.97 119.45 1ir1 h TYR 20 Ca -0.50 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.27 1ir1 h TYR 20 Cb 1.26 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.68 1ir1 h TYR 20 CO 0.52 0.67 0.04 1.57 -1.05 0.00 0.00 178.16 179.91 1ir1 h LYS 21 N 1.01 0.00 0.00 4.88 2.10 -1.84 -0.01 116.57 122.72 1ir1 h LYS 21 Ca 0.26 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.87 1ir1 h LYS 21 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1ir1 h LYS 21 CO -0.04 0.00 -0.21 -0.07 -2.00 0.00 0.00 179.45 177.13 1ir1 h LEU 22 N 0.00 0.00 0.00 7.07 3.38 -1.86 -3.01 115.31 120.89 1ir1 h LEU 22 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1ir1 h LEU 22 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ir1 h LEU 22 CO -0.00 0.21 -1.22 0.41 0.09 0.00 0.00 178.44 177.92 1ir1 n THR 23 N -3.68 0.22 0.56 0.22 -1.04 -0.75 -4.82 114.28 104.99 1ir1 n THR 23 Ca -0.01 -0.12 0.10 0.00 -2.04 0.00 0.00 64.05 61.98 1ir1 n THR 23 Cb 0.33 -0.82 0.13 0.00 -1.82 0.00 0.00 70.33 68.15 1ir1 n THR 23 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ir1 n TYR 24 N -2.30 0.20 -3.76 -1.42 4.01 -0.09 -4.82 117.16 108.97 1ir1 n TYR 24 Ca -0.06 -0.12 -0.37 0.00 -0.16 0.00 0.00 57.90 57.19 1ir1 n TYR 24 Cb 0.59 -0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.50 1ir1 n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1ir1 s TYR 25 N -1.50 3.34 -0.56 -0.72 5.04 -1.14 -1.30 117.35 120.51 1ir1 s TYR 25 Ca 0.27 -1.73 0.05 0.00 -2.44 0.00 0.00 57.07 53.22 1ir1 s TYR 25 Cb 0.18 -2.54 0.19 0.00 0.35 0.00 0.00 41.96 40.13 1ir1 s TYR 25 CO 0.26 -0.81 0.48 0.25 -1.34 0.00 0.00 175.55 174.38 1ir1 n THR 26 N 4.75 0.45 0.10 4.34 -2.24 -0.65 -4.88 114.28 116.15 1ir1 n THR 26 Ca -0.10 -4.31 0.02 0.00 -2.27 0.00 0.00 64.05 57.39 1ir1 n THR 26 Cb 0.43 -1.96 0.11 0.00 -2.10 0.00 0.00 70.33 66.81 1ir1 n THR 26 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ir1 n PRO 27 N 2.05 0.01 -0.01 -0.78 -0.04 -1.26 -1.76 135.00 133.21 1ir1 n PRO 27 Ca 0.25 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 1ir1 n PRO 27 Cb 0.43 -1.54 0.18 0.00 -0.04 0.00 0.00 33.50 32.52 1ir1 n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ir1 n GLU 28 N -1.57 2.21 -2.21 0.54 0.00 -1.26 -4.88 120.64 113.46 1ir1 n GLU 28 Ca 0.00 -1.77 -0.42 0.00 0.00 0.00 0.00 57.16 54.98 1ir1 n GLU 28 Cb 0.03 -1.47 -0.03 0.00 0.00 0.00 0.00 31.44 29.98 1ir1 n GLU 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1ir1 s TYR 29 N -1.98 3.26 -0.25 -1.84 5.04 -0.72 -5.01 117.35 115.85 1ir1 s TYR 29 Ca 0.30 1.16 -0.08 0.00 -2.44 0.00 0.00 57.07 56.01 1ir1 s TYR 29 Cb 0.20 -3.61 -0.04 0.00 0.35 0.00 0.00 41.96 38.86 1ir1 s TYR 29 CO 0.31 -1.97 0.11 -1.21 -1.34 0.00 0.00 175.55 171.44 1ir1 s GLU 30 N 0.22 3.78 0.61 4.97 2.02 -1.26 -4.99 118.70 124.05 1ir1 s GLU 30 Ca 0.59 -0.42 -0.19 0.00 0.02 0.00 0.00 54.97 54.97 1ir1 s GLU 30 Cb -0.36 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 1ir1 s GLU 30 CO 0.36 -0.15 1.26 0.95 0.02 0.00 0.00 175.26 177.70 1ir1 s THR 31 N 1.55 2.31 0.25 3.63 -4.23 -1.26 -5.03 115.64 112.86 1ir1 s THR 31 Ca 0.06 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1ir1 s THR 31 Cb -0.15 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1ir1 s THR 31 CO 0.06 -0.04 0.43 -0.76 -0.54 0.00 0.00 174.62 173.77 1ir1 s LEU 32 N -4.14 4.18 0.00 4.79 1.02 -1.26 -4.98 118.68 118.28 1ir1 s LEU 32 Ca 0.79 0.38 0.20 0.00 0.02 0.00 0.00 54.13 55.52 1ir1 s LEU 32 Cb -0.35 -3.18 0.93 0.00 0.02 0.00 0.00 46.19 43.61 1ir1 s LEU 32 CO 0.37 -0.12 1.63 0.47 0.02 0.00 0.00 176.35 178.72 1ir1 n ASP 33 N -1.06 0.00 -0.14 2.29 8.00 -1.26 -2.29 116.55 122.09 1ir1 n ASP 33 Ca -0.05 0.23 0.11 0.00 0.71 0.00 0.00 54.79 55.78 1ir1 n ASP 33 Cb 0.55 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 1ir1 n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ir1 n THR 34 N -1.38 0.00 -2.43 -3.53 -2.24 -1.26 -4.55 114.28 98.89 1ir1 n THR 34 Ca 0.07 -0.07 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1ir1 n THR 34 Cb 0.19 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 1ir1 n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ir1 s ASP 35 N -2.85 6.18 -0.18 3.42 1.01 -0.97 -3.86 116.67 119.42 1ir1 s ASP 35 Ca 0.12 2.05 -0.14 0.00 0.71 0.00 0.00 52.55 55.28 1ir1 s ASP 35 Cb 0.17 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1ir1 s ASP 35 CO 0.77 -0.90 0.32 -0.63 0.21 0.00 0.00 175.17 174.94 1ir1 s ILE 36 N -1.84 5.27 -0.06 0.77 1.01 0.19 -4.18 121.20 122.36 1ir1 s ILE 36 Ca 0.68 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1ir1 s ILE 36 Cb -0.20 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1ir1 s ILE 36 CO 0.24 0.33 -0.05 -0.76 0.00 0.00 0.00 174.94 174.71 1ir1 s LEU 37 N 0.83 3.30 0.01 2.97 1.43 -0.83 -0.22 118.68 126.18 1ir1 s LEU 37 Ca 0.17 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.33 1ir1 s LEU 37 Cb -0.14 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1ir1 s LEU 37 CO 0.06 0.36 -0.14 0.00 0.23 0.00 0.00 176.35 176.85 1ir1 s ALA 38 N -0.86 1.17 -0.29 4.21 0.00 0.60 0.08 121.76 126.67 1ir1 s ALA 38 Ca 0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1ir1 s ALA 38 Cb -0.11 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.80 1ir1 s ALA 38 CO 0.02 0.27 -0.03 0.00 0.00 0.00 0.00 175.76 176.02 1ir1 s ALA 39 N -0.50 2.75 -0.12 0.00 0.00 -0.87 -0.67 121.76 122.35 1ir1 s ALA 39 Ca 0.04 -1.76 -0.05 0.00 0.00 0.00 0.00 51.96 50.19 1ir1 s ALA 39 Cb -0.06 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1ir1 s ALA 39 CO 0.00 -1.25 0.05 -0.06 0.00 0.00 0.00 175.76 174.50 1ir1 s PHE 40 N 1.21 3.29 -0.50 0.00 0.40 -0.35 -1.01 117.98 121.02 1ir1 s PHE 40 Ca -0.06 0.24 -0.20 0.00 -0.60 0.00 0.00 56.93 56.31 1ir1 s PHE 40 Cb -0.20 -1.90 0.05 0.00 0.51 0.00 0.00 43.02 41.48 1ir1 s PHE 40 CO -0.02 0.46 0.66 0.50 0.70 0.00 0.00 175.22 177.51 1ir1 s ARG 41 N -0.60 3.17 -0.16 0.44 3.52 0.19 -0.78 118.95 124.72 1ir1 s ARG 41 Ca 0.11 -0.74 -0.07 0.00 -0.13 0.00 0.00 55.73 54.90 1ir1 s ARG 41 Cb -0.12 -4.07 -0.04 0.00 -1.56 0.00 0.00 34.95 29.16 1ir1 s ARG 41 CO 0.02 -1.21 0.07 0.08 -0.81 0.00 0.00 175.30 173.45 1ir1 s VAL 42 N 2.80 4.88 -0.44 7.11 1.01 0.19 -1.60 120.40 134.35 1ir1 s VAL 42 Ca 0.18 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1ir1 s VAL 42 Cb -0.18 -3.18 0.12 0.00 0.00 0.00 0.00 36.38 33.15 1ir1 s VAL 42 CO 0.14 0.50 0.19 -0.44 0.00 0.00 0.00 175.10 175.48 1ir1 s SER 43 N 0.03 4.30 0.76 3.32 0.01 -0.81 -0.73 113.70 120.58 1ir1 s SER 43 Ca 0.06 -2.62 -0.11 0.00 1.31 0.00 0.00 55.95 54.60 1ir1 s SER 43 Cb -0.12 -1.47 0.05 0.00 0.21 0.00 0.00 66.02 64.69 1ir1 s SER 43 CO 0.01 -0.29 1.09 -2.84 0.41 0.00 0.00 173.24 171.61 1ir1 s PRO 44 N 0.28 2.33 0.66 12.44 0.02 -1.26 -0.26 135.00 149.22 1ir1 s PRO 44 Ca 0.15 1.15 -0.11 0.00 0.02 0.00 0.00 61.00 62.20 1ir1 s PRO 44 Cb -0.23 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 1ir1 s PRO 44 CO -0.04 -1.59 1.05 -0.65 -0.33 0.00 0.00 177.00 175.45 1ir1 s GLN 45 N -4.92 3.16 0.30 5.54 -1.52 -0.56 -4.45 119.66 117.21 1ir1 s GLN 45 Ca 0.61 0.93 -0.30 0.00 -1.95 0.00 0.00 55.36 54.65 1ir1 s GLN 45 Cb -0.17 -2.02 -0.12 0.00 -0.22 0.00 0.00 33.01 30.49 1ir1 s GLN 45 CO 0.56 -0.93 1.57 -2.30 -0.25 0.00 0.00 175.29 173.94 1ir1 n PRO 46 N -2.89 2.63 0.00 2.91 -0.02 -1.26 -2.11 135.00 134.25 1ir1 n PRO 46 Ca 0.07 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1ir1 n PRO 46 Cb 0.54 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1ir1 n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ir1 n GLY 47 N 2.01 1.02 3.55 -1.23 0.00 -1.26 -5.03 105.19 104.25 1ir1 n GLY 47 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1ir1 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ir1 s VAL 48 N -2.33 5.24 0.44 1.61 1.01 -0.90 -5.06 120.40 120.41 1ir1 s VAL 48 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 1ir1 s VAL 48 Cb 0.00 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 1ir1 s VAL 48 CO 0.00 -0.00 1.43 -2.84 0.00 0.00 0.00 175.10 173.69 1ir1 s PRO 49 N 1.87 3.73 0.42 2.72 0.02 -1.26 -4.73 135.00 137.76 1ir1 s PRO 49 Ca 0.09 2.42 0.11 0.00 0.02 0.00 0.00 61.00 63.64 1ir1 s PRO 49 Cb -0.17 -2.68 0.95 0.00 0.02 0.00 0.00 34.50 32.62 1ir1 s PRO 49 CO 0.11 -0.79 2.01 -1.00 -0.33 0.00 0.00 177.00 177.01 1ir1 h PRO 50 N 2.39 0.46 -0.35 5.54 0.13 -1.98 -0.76 132.00 137.43 1ir1 h PRO 50 Ca -0.51 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.54 1ir1 h PRO 50 Cb 1.26 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1ir1 h PRO 50 CO 0.61 0.30 -0.00 0.93 -0.23 0.00 0.00 178.00 179.62 1ir1 h GLU 51 N 0.47 0.55 0.13 0.86 3.07 -1.99 0.73 114.58 118.40 1ir1 h GLU 51 Ca 0.22 -0.12 -0.29 0.00 -0.50 0.00 0.00 59.36 58.67 1ir1 h GLU 51 Cb 0.28 -0.08 0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1ir1 h GLU 51 CO -0.06 0.58 -1.20 1.49 -1.40 0.00 0.00 179.01 178.42 1ir1 h GLU 52 N 0.53 0.59 -0.39 2.33 4.57 -1.60 -2.14 114.58 118.47 1ir1 h GLU 52 Ca 0.11 -0.81 -0.03 0.00 -1.18 0.00 0.00 59.36 57.46 1ir1 h GLU 52 Cb 0.34 0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1ir1 h GLU 52 CO 0.01 1.37 0.14 0.00 -1.18 0.00 0.00 179.01 179.34 1ir1 h ALA 53 N 0.26 0.51 -0.76 2.92 0.00 -0.98 0.73 119.26 121.95 1ir1 h ALA 53 Ca -0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1ir1 h ALA 53 Cb 1.89 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1ir1 h ALA 53 CO 0.23 0.14 0.25 0.78 0.00 0.00 0.00 179.25 180.65 1ir1 h GLY 54 N 0.49 1.25 1.05 0.00 0.00 -0.93 -2.25 103.07 102.68 1ir1 h GLY 54 Ca 0.13 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 1ir1 h GLY 54 CO -0.01 0.68 0.03 0.00 0.00 0.00 0.00 176.54 177.24 1ir1 h ALA 55 N 1.15 0.78 -0.64 3.60 0.00 -1.07 -2.09 119.26 120.99 1ir1 h ALA 55 Ca 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ir1 h ALA 55 Cb 0.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ir1 h ALA 55 CO -0.01 0.60 0.39 0.00 0.00 0.00 0.00 179.25 180.22 1ir1 h ALA 56 N 0.98 0.81 -0.33 0.00 0.00 -0.61 0.50 119.26 120.61 1ir1 h ALA 56 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ir1 h ALA 56 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ir1 h ALA 56 CO 0.02 0.28 0.17 0.28 0.00 0.00 0.00 179.25 180.01 1ir1 h VAL 57 N 0.86 1.14 -0.57 0.00 2.07 -1.25 -1.45 116.25 117.06 1ir1 h VAL 57 Ca 0.23 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1ir1 h VAL 57 Cb -0.03 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1ir1 h VAL 57 CO -0.04 0.15 0.28 0.00 0.02 0.00 0.00 177.57 177.97 1ir1 h ALA 58 N 1.04 0.73 0.18 1.67 0.00 -1.00 -3.01 119.26 118.87 1ir1 h ALA 58 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ir1 h ALA 58 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ir1 h ALA 58 CO -0.02 0.28 -0.09 0.00 0.00 0.00 0.00 179.25 179.43 1ir1 h ALA 59 N 1.11 -0.24 0.00 0.00 0.00 -0.73 -3.20 119.26 116.20 1ir1 h ALA 59 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ir1 h ALA 59 Cb 0.10 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ir1 h ALA 59 CO -0.03 -0.48 0.00 0.39 0.00 0.00 0.00 179.25 179.13 1ir1 n GLU 60 N -5.06 0.83 -0.08 0.00 -0.58 -0.56 -1.19 120.64 113.99 1ir1 n GLU 60 Ca -0.09 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.69 1ir1 n GLU 60 Cb 0.22 -1.32 0.08 0.00 -0.57 0.00 0.00 31.44 29.85 1ir1 n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ir1 n SER 61 N -0.82 2.40 0.00 1.62 3.41 -1.14 -4.67 113.62 114.43 1ir1 n SER 61 Ca 0.13 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1ir1 n SER 61 Cb 0.06 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1ir1 n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ir1 n SER 62 N -0.48 0.00 0.00 4.04 3.41 -1.00 -4.31 113.62 115.28 1ir1 n SER 62 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1ir1 n SER 62 Cb 0.41 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1ir1 n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ir1 n THR 63 N -1.87 0.00 -3.20 6.66 -2.24 -1.01 -4.96 114.28 107.65 1ir1 n THR 63 Ca 0.00 -0.04 -0.18 0.00 -2.27 0.00 0.00 64.05 61.56 1ir1 n THR 63 Cb 0.00 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1ir1 n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ir1 s GLY 64 N -0.85 2.02 0.01 3.38 0.00 -0.33 -5.03 107.32 106.51 1ir1 s GLY 64 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1ir1 s GLY 64 CO 0.00 -1.56 0.00 -0.37 0.00 0.00 0.00 173.10 171.17 1ir1 n THR 65 N -1.75 0.00 0.47 0.90 5.66 -1.26 -4.15 114.28 114.15 1ir1 n THR 65 Ca 0.06 -0.04 0.12 0.00 -3.05 0.00 0.00 64.05 61.15 1ir1 n THR 65 Cb 0.60 0.02 0.47 0.00 -1.55 0.00 0.00 70.33 69.86 1ir1 n THR 65 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 1ir1 n TRP 66 N -0.01 0.77 -4.12 1.09 4.27 -1.26 -4.83 117.44 113.34 1ir1 n TRP 66 Ca 0.00 0.28 -0.09 0.00 -3.89 0.00 0.00 57.50 53.81 1ir1 n TRP 66 Cb 0.01 -0.96 -0.10 0.00 -1.36 0.00 0.00 31.31 28.90 1ir1 n TRP 66 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1ir1 s THR 67 N -3.24 0.15 0.15 -1.67 -1.32 -1.26 -4.66 115.64 103.79 1ir1 s THR 67 Ca 0.06 -1.87 -0.30 0.00 -1.21 0.00 0.00 61.69 58.37 1ir1 s THR 67 Cb 0.10 -1.82 -0.08 0.00 -1.51 0.00 0.00 72.50 69.19 1ir1 s THR 67 CO 0.43 -0.69 1.25 -0.89 -2.21 0.00 0.00 174.62 172.51 1ir1 s THR 68 N -3.99 3.53 -0.05 5.08 2.01 -0.58 -5.01 115.64 116.63 1ir1 s THR 68 Ca 0.17 1.21 0.06 0.00 0.31 0.00 0.00 61.69 63.44 1ir1 s THR 68 Cb 0.08 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1ir1 s THR 68 CO -0.03 0.16 -0.22 0.68 -0.69 0.00 0.00 174.62 174.52 1ir1 s VAL 69 N 0.36 2.36 0.42 3.82 -7.23 -1.26 -4.54 120.40 114.32 1ir1 s VAL 69 Ca 0.56 -0.97 0.18 0.00 -1.81 0.00 0.00 61.98 59.94 1ir1 s VAL 69 Cb -0.34 -1.87 0.19 0.00 0.56 0.00 0.00 36.38 34.93 1ir1 s VAL 69 CO 0.35 0.57 1.98 4.11 -0.31 0.00 0.00 175.10 181.80 1ir1 h TRP 70 N 5.81 0.00 0.00 2.82 5.08 -1.97 -3.04 115.95 124.65 1ir1 h TRP 70 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.60 1ir1 h TRP 70 Cb 1.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1ir1 h TRP 70 CO 0.44 0.20 0.00 1.79 -1.28 0.00 0.00 178.44 179.59 1ir1 h THR 71 N 0.00 0.00 -0.25 0.12 1.35 -2.03 -1.96 112.91 110.15 1ir1 h THR 71 Ca -0.00 -0.02 0.02 0.00 -0.55 0.00 0.00 66.41 65.86 1ir1 h THR 71 Cb 0.40 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 1ir1 h THR 71 CO 0.03 0.00 0.17 0.44 -0.25 0.00 0.00 175.52 175.90 1ir1 h ASP 72 N 0.00 0.22 0.64 5.36 3.32 -1.91 -1.89 116.42 122.16 1ir1 h ASP 72 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ir1 h ASP 72 Cb 0.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1ir1 h ASP 72 CO 0.00 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 1ir1 n GLY 73 N -1.52 -1.15 0.16 2.75 0.00 -0.74 -2.65 105.19 102.05 1ir1 n GLY 73 Ca 0.01 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1ir1 n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ir1 h LEU 74 N 0.00 0.00 0.00 0.99 3.38 -1.53 -3.46 115.31 114.68 1ir1 h LEU 74 Ca 0.00 -0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 1ir1 h LEU 74 Cb 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1ir1 h LEU 74 CO 0.00 0.01 -0.26 1.07 0.09 0.00 0.00 178.44 179.35 1ir1 n THR 75 N -2.73 0.00 -3.67 0.22 5.66 -1.08 -5.10 114.28 107.59 1ir1 n THR 75 Ca 0.04 -1.29 -0.38 0.00 -3.05 0.00 0.00 64.05 59.37 1ir1 n THR 75 Cb 0.50 0.37 -0.09 0.00 -1.55 0.00 0.00 70.33 69.56 1ir1 n THR 75 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1ir1 s ASN 76 N -2.43 5.45 0.58 1.09 2.47 -1.26 -4.94 114.94 115.90 1ir1 s ASN 76 Ca 0.06 -2.73 0.27 0.00 0.42 0.00 0.00 52.86 50.89 1ir1 s ASN 76 Cb 0.00 -1.91 1.57 0.00 -1.45 0.00 0.00 41.25 39.47 1ir1 s ASN 76 CO 0.04 -0.42 2.06 0.25 -3.72 0.00 0.00 177.10 175.31 1ir1 h LEU 77 N 7.27 0.00 -1.79 3.21 5.85 -1.99 -1.33 115.31 126.53 1ir1 h LEU 77 Ca -0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1ir1 h LEU 77 Cb 0.98 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1ir1 h LEU 77 CO 0.73 0.00 -0.16 0.44 -0.34 0.00 0.00 178.44 179.11 1ir1 h ASP 78 N 0.00 0.00 0.37 1.25 3.32 -1.96 0.04 116.42 119.44 1ir1 h ASP 78 Ca 0.13 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.88 1ir1 h ASP 78 Cb 0.64 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.21 1ir1 h ASP 78 CO -0.00 0.16 -1.28 0.03 -1.72 0.00 0.00 179.24 176.42 1ir1 h ARG 79 N 0.00 0.45 0.00 3.56 3.08 -1.67 -3.40 114.38 116.40 1ir1 h ARG 79 Ca -0.00 -0.69 -0.23 0.00 0.07 0.00 0.00 59.98 59.13 1ir1 h ARG 79 Cb 0.34 0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1ir1 h ARG 79 CO 0.02 1.31 -1.99 0.66 -1.07 0.00 0.00 179.97 178.90 1ir1 n TYR 80 N -3.68 0.33 -1.87 3.04 4.01 -1.06 -4.75 117.16 113.18 1ir1 n TYR 80 Ca -0.12 0.11 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 1ir1 n TYR 80 Cb 1.02 -0.93 0.02 0.00 -0.31 0.00 0.00 39.34 39.14 1ir1 n TYR 80 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1ir1 s LYS 81 N -2.84 3.50 0.38 -0.72 -2.85 -0.02 -4.61 119.74 112.57 1ir1 s LYS 81 Ca -0.07 2.24 -0.15 0.00 -1.00 0.00 0.00 55.97 56.98 1ir1 s LYS 81 Cb 0.09 -2.47 -0.09 0.00 -2.06 0.00 0.00 37.83 33.30 1ir1 s LYS 81 CO 0.84 -0.90 0.81 0.20 0.10 0.00 0.00 175.35 176.40 1ir1 s GLY 82 N -0.82 2.23 -0.06 0.59 0.00 -1.26 -4.58 107.32 103.42 1ir1 s GLY 82 Ca 0.65 0.07 -0.04 0.00 0.00 0.00 0.00 44.72 45.40 1ir1 s GLY 82 CO 0.49 0.29 0.14 1.09 0.00 0.00 0.00 173.10 175.12 1ir1 s ARG 83 N -3.33 0.14 -0.51 2.90 1.70 -0.46 -4.59 118.95 114.80 1ir1 s ARG 83 Ca 0.56 0.26 -0.26 0.00 -0.47 0.00 0.00 55.73 55.81 1ir1 s ARG 83 Cb -0.10 -0.01 0.03 0.00 -0.57 0.00 0.00 34.95 34.30 1ir1 s ARG 83 CO 0.21 -0.07 1.02 0.00 -1.08 0.00 0.00 175.30 175.38 1ir1 n TYR 85 N 7.61 0.00 -3.63 0.00 4.11 -0.62 -1.64 117.16 122.99 1ir1 n TYR 85 Ca 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.82 1ir1 n TYR 85 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.75 1ir1 n TYR 85 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1ir1 s HIS 86 N -2.36 -0.77 -0.02 -3.48 5.04 -1.24 -4.27 115.29 108.18 1ir1 s HIS 86 Ca 0.14 1.85 0.01 0.00 -1.54 0.00 0.00 55.06 55.53 1ir1 s HIS 86 Cb 0.15 0.28 0.01 0.00 0.04 0.00 0.00 32.58 33.07 1ir1 s HIS 86 CO 0.56 -0.38 -0.04 0.42 -2.34 0.00 0.00 174.74 172.96 1ir1 s ILE 87 N 0.30 0.43 -0.00 0.89 1.01 -1.26 -0.59 121.20 121.97 1ir1 s ILE 87 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 1ir1 s ILE 87 Cb -0.05 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 42.00 1ir1 s ILE 87 CO 0.01 0.16 0.01 -1.83 0.00 0.00 0.00 174.94 173.29 1ir1 s GLU 88 N 0.44 0.01 0.71 2.79 -1.05 -0.63 -4.99 118.70 115.99 1ir1 s GLU 88 Ca -0.05 0.01 -0.13 0.00 -0.15 0.00 0.00 54.97 54.65 1ir1 s GLU 88 Cb -0.09 0.00 0.03 0.00 -0.44 0.00 0.00 34.13 33.63 1ir1 s GLU 88 CO -0.00 -0.00 1.11 -2.14 0.95 0.00 0.00 175.26 175.18 1ir1 s PRO 89 N 0.01 2.49 -0.19 -4.83 0.02 -1.26 -0.47 135.00 130.76 1ir1 s PRO 89 Ca -0.00 1.36 -0.09 0.00 0.02 0.00 0.00 61.00 62.29 1ir1 s PRO 89 Cb -0.00 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 1ir1 s PRO 89 CO -0.00 -1.49 0.10 0.08 -0.33 0.00 0.00 177.00 175.36 1ir1 s VAL 90 N -2.50 5.10 0.31 3.83 1.01 -0.82 -4.74 120.40 122.59 1ir1 s VAL 90 Ca 0.66 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 1ir1 s VAL 90 Cb -0.20 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 1ir1 s VAL 90 CO 0.47 0.45 1.30 0.00 0.00 0.00 0.00 175.10 177.32 1ir1 s ALA 91 N 0.40 3.50 0.00 5.51 0.00 -1.26 -3.23 121.76 126.68 1ir1 s ALA 91 Ca 0.06 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1ir1 s ALA 91 Cb -0.12 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1ir1 s ALA 91 CO -0.01 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1ir1 n GLY 92 N 1.06 0.23 3.04 0.00 0.00 -1.26 -4.97 105.19 103.29 1ir1 n GLY 92 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1ir1 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ir1 s GLU 93 N -1.09 2.14 0.15 1.61 2.56 -1.20 -5.11 118.70 117.76 1ir1 s GLU 93 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 54.97 54.14 1ir1 s GLU 93 Cb 0.00 -1.86 -0.07 0.00 2.00 0.00 0.00 34.13 34.20 1ir1 s GLU 93 CO 0.00 -0.10 1.07 -1.21 -0.56 0.00 0.00 175.26 174.47 1ir1 s GLU 94 N 1.09 4.61 -1.36 4.30 8.01 -1.26 -3.95 118.70 130.14 1ir1 s GLU 94 Ca -0.05 1.66 -0.01 0.00 0.01 0.00 0.00 54.97 56.58 1ir1 s GLU 94 Cb -0.14 -3.31 0.01 0.00 -4.31 0.00 0.00 34.13 26.38 1ir1 s GLU 94 CO -0.03 0.09 0.62 -1.71 0.01 0.00 0.00 175.26 174.23 1ir1 n ASN 95 N 2.58 -1.07 -3.94 -0.19 4.05 -1.26 -5.00 115.26 110.42 1ir1 n ASN 95 Ca 0.03 -0.89 -0.17 0.00 0.45 0.00 0.00 54.58 54.00 1ir1 n ASN 95 Cb 0.47 -3.68 -0.15 0.00 1.23 0.00 0.00 39.78 37.65 1ir1 n ASN 95 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1ir1 s GLN 96 N -6.23 0.54 0.06 1.20 0.74 -1.25 -4.00 119.66 110.71 1ir1 s GLN 96 Ca 0.05 -0.16 -0.01 0.00 0.05 0.00 0.00 55.36 55.29 1ir1 s GLN 96 Cb -0.02 -0.55 -0.04 0.00 1.10 0.00 0.00 33.01 33.50 1ir1 s GLN 96 CO 0.84 0.05 -0.04 0.71 -0.55 0.00 0.00 175.29 176.31 1ir1 s TYR 97 N 0.21 0.57 -0.27 1.67 1.51 0.09 -1.94 117.35 119.20 1ir1 s TYR 97 Ca -0.02 -1.03 -0.08 0.00 -1.01 0.00 0.00 57.07 54.92 1ir1 s TYR 97 Cb -0.06 -0.40 -0.02 0.00 -0.11 0.00 0.00 41.96 41.36 1ir1 s TYR 97 CO -0.00 -0.34 0.11 0.42 -1.11 0.00 0.00 175.55 174.62 1ir1 s ILE 98 N -3.80 4.50 -0.16 2.71 -1.09 0.38 0.57 121.20 124.30 1ir1 s ILE 98 Ca 0.07 -0.21 -0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1ir1 s ILE 98 Cb 0.07 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.77 1ir1 s ILE 98 CO -0.09 0.25 -0.07 0.00 -1.23 0.00 0.00 174.94 173.80 1ir1 s TYR 100 N 0.64 3.49 -0.04 0.00 1.51 0.24 -1.21 117.35 121.98 1ir1 s TYR 100 Ca -0.04 0.62 0.04 0.00 -1.01 0.00 0.00 57.07 56.69 1ir1 s TYR 100 Cb -0.15 -2.31 -0.00 0.00 -0.11 0.00 0.00 41.96 39.39 1ir1 s TYR 100 CO 0.03 0.30 -0.17 0.08 -1.11 0.00 0.00 175.55 174.68 1ir1 s VAL 101 N 0.25 1.42 -0.12 0.71 1.01 0.15 -1.59 120.40 122.22 1ir1 s VAL 101 Ca 0.17 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1ir1 s VAL 101 Cb -0.13 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1ir1 s VAL 101 CO 0.05 0.41 -0.08 0.00 0.00 0.00 0.00 175.10 175.48 1ir1 s ALA 102 N -0.01 2.87 -0.14 5.51 0.00 -0.17 -0.29 121.76 129.52 1ir1 s ALA 102 Ca -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1ir1 s ALA 102 Cb -0.11 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1ir1 s ALA 102 CO 0.02 0.33 -0.21 0.71 0.00 0.00 0.00 175.76 176.62 1ir1 s TYR 103 N 0.01 2.69 0.60 0.00 2.02 0.69 -1.36 117.35 122.00 1ir1 s TYR 103 Ca -0.01 -1.27 -0.20 0.00 -0.37 0.00 0.00 57.07 55.22 1ir1 s TYR 103 Cb -0.14 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1ir1 s TYR 103 CO 0.03 -0.58 1.30 -2.14 -1.57 0.00 0.00 175.55 172.59 1ir1 s PRO 104 N 0.80 2.86 0.43 -1.71 0.02 -1.26 -0.63 135.00 135.50 1ir1 s PRO 104 Ca -0.07 2.07 0.13 0.00 0.02 0.00 0.00 61.00 63.15 1ir1 s PRO 104 Cb -0.16 -2.01 1.01 0.00 0.02 0.00 0.00 34.50 33.36 1ir1 s PRO 104 CO -0.01 -1.36 1.98 1.25 -0.33 0.00 0.00 177.00 178.53 1ir1 h LEU 105 N 0.95 0.38 -1.31 -5.54 5.85 -1.93 -2.52 115.31 111.19 1ir1 h LEU 105 Ca -0.51 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1ir1 h LEU 105 Cb 1.32 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1ir1 h LEU 105 CO 0.55 0.24 0.00 0.44 -0.34 0.00 0.00 178.44 179.33 1ir1 h ASP 106 N 0.43 0.00 0.83 1.25 5.19 -1.92 -2.93 116.42 119.27 1ir1 h ASP 106 Ca 0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1ir1 h ASP 106 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1ir1 h ASP 106 CO -0.07 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.23 1ir1 n LEU 107 N -2.33 0.00 -4.48 1.55 4.77 -0.95 -4.87 117.00 110.69 1ir1 n LEU 107 Ca -0.00 0.44 -0.32 0.00 -0.03 0.00 0.00 56.01 56.10 1ir1 n LEU 107 Cb 0.10 -0.44 -0.13 0.00 -2.33 0.00 0.00 43.42 40.62 1ir1 n LEU 107 CO 0.14 -0.03 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.35 1ir1 s PHE 108 N -2.88 2.67 0.03 -1.77 0.08 -1.11 -5.01 117.98 109.98 1ir1 s PHE 108 Ca 0.17 -0.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.73 1ir1 s PHE 108 Cb 0.18 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 1ir1 s PHE 108 CO 0.48 0.21 1.05 -2.00 -0.10 0.00 0.00 175.22 174.86 1ir1 s GLU 109 N -0.96 4.52 0.24 0.44 2.12 -1.26 -4.97 118.70 118.83 1ir1 s GLU 109 Ca 0.13 1.54 -0.31 0.00 0.36 0.00 0.00 54.97 56.69 1ir1 s GLU 109 Cb -0.11 -3.42 -0.13 0.00 0.26 0.00 0.00 34.13 30.74 1ir1 s GLU 109 CO 0.02 -0.11 1.55 0.39 -0.54 0.00 0.00 175.26 176.58 1ir1 n GLU 110 N 3.84 2.41 -1.24 4.30 4.71 -1.26 -2.58 120.64 130.82 1ir1 n GLU 110 Ca 0.07 0.86 -0.08 0.00 -0.01 0.00 0.00 57.16 58.00 1ir1 n GLU 110 Cb 0.49 -2.61 -0.04 0.00 -1.01 0.00 0.00 31.44 28.27 1ir1 n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ir1 n GLY 111 N 2.64 0.95 3.00 0.62 0.00 -1.22 -4.99 105.19 106.20 1ir1 n GLY 111 Ca 0.12 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1ir1 n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ir1 s SER 112 N -2.53 4.66 0.34 1.61 0.15 -1.06 -4.93 113.70 111.94 1ir1 s SER 112 Ca 0.00 -2.35 0.02 0.00 0.70 0.00 0.00 55.95 54.32 1ir1 s SER 112 Cb 0.00 -1.62 0.60 0.00 -1.71 0.00 0.00 66.02 63.28 1ir1 s SER 112 CO 0.00 -0.35 1.94 0.58 1.20 0.00 0.00 173.24 176.62 1ir1 h VAL 113 N 6.35 1.18 -0.58 4.45 2.07 -1.94 -1.88 116.25 125.90 1ir1 h VAL 113 Ca -0.05 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1ir1 h VAL 113 Cb 0.99 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1ir1 h VAL 113 CO 0.56 0.21 0.22 0.74 0.02 0.00 0.00 177.57 179.32 1ir1 h THR 114 N 0.74 0.80 -0.40 2.57 2.02 -1.91 -1.49 112.91 115.24 1ir1 h THR 114 Ca 0.19 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 67.10 1ir1 h THR 114 Cb 0.08 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1ir1 h THR 114 CO -0.02 0.07 -0.24 -1.13 0.37 0.00 0.00 175.52 174.57 1ir1 h ASN 115 N 0.41 0.90 -0.52 4.18 -0.73 -1.72 -2.29 115.58 115.80 1ir1 h ASN 115 Ca 0.29 -0.42 0.05 0.00 1.87 0.00 0.00 56.30 58.08 1ir1 h ASN 115 Cb 0.33 -0.25 -0.05 0.00 0.27 0.00 0.00 38.32 38.62 1ir1 h ASN 115 CO -0.28 1.13 0.26 -0.03 -0.37 0.00 0.00 177.43 178.13 1ir1 h MET 116 N 0.67 0.48 -0.14 6.67 4.05 -0.76 -2.72 114.93 123.19 1ir1 h MET 116 Ca 0.08 -0.03 -0.17 0.00 -0.28 0.00 0.00 59.70 59.30 1ir1 h MET 116 Cb 0.81 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 1ir1 h MET 116 CO 0.07 0.32 -0.63 0.74 0.23 0.00 0.00 176.91 177.64 1ir1 h PHE 117 N 0.50 0.63 -0.91 1.39 0.04 -1.28 -2.84 116.94 114.47 1ir1 h PHE 117 Ca 0.23 -0.25 0.12 0.00 2.80 0.00 0.00 57.97 60.87 1ir1 h PHE 117 Cb 0.15 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.12 1ir1 h PHE 117 CO -0.11 0.98 0.58 1.15 -0.60 0.00 0.00 178.31 180.32 1ir1 h THR 118 N 0.36 0.91 0.11 -1.55 2.02 -1.10 0.85 112.91 114.50 1ir1 h THR 118 Ca -0.01 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1ir1 h THR 118 Cb 1.18 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1ir1 h THR 118 CO 0.11 0.15 -0.05 0.28 0.37 0.00 0.00 175.52 176.38 1ir1 h SER 119 N 0.83 -0.13 -1.00 4.18 0.02 -1.48 -2.57 113.55 113.40 1ir1 h SER 119 Ca 0.44 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.42 1ir1 h SER 119 Cb 0.54 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 1ir1 h SER 119 CO -0.20 0.24 0.66 0.40 -1.14 0.00 0.00 176.83 176.79 1ir1 h ILE 120 N -0.81 1.21 0.00 3.27 2.04 -1.44 -3.22 117.51 118.56 1ir1 h ILE 120 Ca -0.02 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1ir1 h ILE 120 Cb 0.11 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 1ir1 h ILE 120 CO 0.03 0.24 -0.12 1.33 0.00 0.00 0.00 178.15 179.63 1ir1 n VAL 121 N -4.41 1.66 0.36 1.67 0.24 0.28 -4.85 118.33 113.27 1ir1 n VAL 121 Ca 0.13 -2.06 -0.14 0.00 -2.04 0.00 0.00 64.34 60.23 1ir1 n VAL 121 Cb 0.06 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.22 1ir1 n VAL 121 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1ir1 h GLY 122 N 0.10 -0.96 0.00 7.63 0.00 -1.30 -3.43 103.07 105.11 1ir1 h GLY 122 Ca -0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1ir1 h GLY 122 CO 0.00 -0.35 -0.62 0.70 0.00 0.00 0.00 176.54 176.28 1ir1 n ASN 123 N -4.84 3.08 0.31 0.19 3.02 -1.26 -4.83 115.26 110.93 1ir1 n ASN 123 Ca -0.11 -0.13 0.20 0.00 -0.03 0.00 0.00 54.58 54.51 1ir1 n ASN 123 Cb 0.36 0.87 1.03 0.00 -0.61 0.00 0.00 39.78 41.44 1ir1 n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1ir1 h VAL 124 N 0.00 0.09 0.00 2.41 -1.51 -1.83 -2.66 116.25 112.76 1ir1 h VAL 124 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1ir1 h VAL 124 Cb 0.00 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1ir1 h VAL 124 CO 0.00 0.01 0.00 0.49 -1.23 0.00 0.00 177.57 176.84 1ir1 n PHE 125 N -3.19 0.30 0.91 5.19 3.01 -1.26 -3.14 117.46 119.27 1ir1 n PHE 125 Ca -0.02 0.10 0.11 0.00 1.01 0.00 0.00 57.45 58.65 1ir1 n PHE 125 Cb 0.14 -0.67 0.08 0.00 -0.01 0.00 0.00 39.48 39.03 1ir1 n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ir1 n GLY 126 N 0.57 0.71 3.69 1.37 0.00 -1.00 -4.83 105.19 105.70 1ir1 n GLY 126 Ca 0.04 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1ir1 n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ir1 n PHE 127 N 1.13 2.43 0.19 1.61 3.01 -1.19 -4.87 117.46 119.78 1ir1 n PHE 127 Ca 0.12 0.29 0.05 0.00 1.01 0.00 0.00 57.45 58.92 1ir1 n PHE 127 Cb 0.54 -2.54 0.49 0.00 -0.01 0.00 0.00 39.48 37.95 1ir1 n PHE 127 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ir1 h LYS 128 N 5.20 0.09 0.00 -1.08 1.57 -1.94 -2.43 116.57 117.98 1ir1 h LYS 128 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1ir1 h LYS 128 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1ir1 h LYS 128 CO 0.83 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.92 1ir1 n ALA 129 N -2.51 1.60 -2.47 3.86 0.00 -1.26 -4.68 120.51 115.05 1ir1 n ALA 129 Ca -0.02 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 1ir1 n ALA 129 Cb 0.22 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 1ir1 n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ir1 s LEU 130 N -2.83 2.64 -0.10 0.00 1.43 -0.92 -1.49 118.68 117.42 1ir1 s LEU 130 Ca 0.08 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1ir1 s LEU 130 Cb 0.08 -1.53 -0.24 0.00 0.03 0.00 0.00 46.19 44.53 1ir1 s LEU 130 CO 0.20 0.23 0.43 0.54 0.23 0.00 0.00 176.35 177.98 1ir1 n ARG 131 N 1.34 0.68 -3.47 1.70 1.74 0.64 -4.77 116.66 114.52 1ir1 n ARG 131 Ca -0.16 0.23 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 1ir1 n ARG 131 Cb 0.52 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1ir1 n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ir1 s ALA 132 N -2.57 -1.70 -0.16 7.54 0.00 -1.13 -5.05 121.76 118.70 1ir1 s ALA 132 Ca -0.12 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.55 1ir1 s ALA 132 Cb 0.07 0.49 0.05 0.00 0.00 0.00 0.00 23.12 23.73 1ir1 s ALA 132 CO 0.79 -0.63 0.42 -1.17 0.00 0.00 0.00 175.76 175.18 1ir1 s LEU 133 N -2.21 0.27 -0.02 0.00 2.96 -1.21 -1.92 118.68 116.56 1ir1 s LEU 133 Ca -0.02 0.86 -0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1ir1 s LEU 133 Cb -0.01 1.43 0.02 0.00 0.50 0.00 0.00 46.19 48.14 1ir1 s LEU 133 CO -0.06 -0.16 0.03 -0.60 -1.32 0.00 0.00 176.35 174.24 1ir1 s ARG 134 N 0.50 -0.03 -0.36 1.98 3.52 -0.63 -1.53 118.95 122.39 1ir1 s ARG 134 Ca -0.02 0.16 -0.22 0.00 -0.13 0.00 0.00 55.73 55.52 1ir1 s ARG 134 Cb -0.04 -0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.15 1ir1 s ARG 134 CO -0.03 -0.14 0.72 -1.17 -0.81 0.00 0.00 175.30 173.87 1ir1 s LEU 135 N 0.89 4.19 -0.11 -0.88 2.96 -0.49 0.54 118.68 125.78 1ir1 s LEU 135 Ca -0.07 0.25 -0.13 0.00 -0.22 0.00 0.00 54.13 53.96 1ir1 s LEU 135 Cb -0.11 -2.91 -0.27 0.00 0.50 0.00 0.00 46.19 43.40 1ir1 s LEU 135 CO -0.02 -0.67 0.49 -0.33 -1.32 0.00 0.00 176.35 174.49 1ir1 h GLU 136 N 8.48 0.25 -3.21 1.98 4.39 -1.41 -1.13 114.58 123.93 1ir1 h GLU 136 Ca -0.25 -0.43 -0.00 0.00 0.34 0.00 0.00 59.36 59.01 1ir1 h GLU 136 Cb 1.10 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 29.82 1ir1 h GLU 136 CO 0.88 1.21 0.09 0.34 -1.16 0.00 0.00 179.01 180.37 1ir1 s ASP 137 N -7.07 -0.30 -0.01 1.42 2.15 -1.22 -4.59 116.67 107.06 1ir1 s ASP 137 Ca -0.21 -0.46 -0.00 0.00 0.43 0.00 0.00 52.55 52.31 1ir1 s ASP 137 Cb 0.05 0.62 0.01 0.00 -0.30 0.00 0.00 42.92 43.31 1ir1 s ASP 137 CO 0.76 -1.11 0.02 -0.76 -0.17 0.00 0.00 175.17 173.91 1ir1 s LEU 138 N -2.87 1.54 -0.46 -1.34 1.43 -1.26 -2.06 118.68 113.66 1ir1 s LEU 138 Ca 0.09 0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 1ir1 s LEU 138 Cb -0.02 -0.03 0.07 0.00 0.03 0.00 0.00 46.19 46.24 1ir1 s LEU 138 CO -0.01 -0.06 0.37 -0.60 0.23 0.00 0.00 176.35 176.27 1ir1 s ARG 139 N 0.53 2.94 -0.34 1.70 3.00 0.11 -4.94 118.95 121.95 1ir1 s ARG 139 Ca -0.04 -1.32 -0.20 0.00 -1.00 0.00 0.00 55.73 53.17 1ir1 s ARG 139 Cb -0.06 -4.08 -0.00 0.00 0.00 0.00 0.00 34.95 30.81 1ir1 s ARG 139 CO -0.01 -0.99 0.59 0.42 0.00 0.00 0.00 175.30 175.31 1ir1 s ILE 140 N 1.62 4.95 0.48 4.11 1.01 -1.26 -1.96 121.20 130.15 1ir1 s ILE 140 Ca 0.04 0.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.02 1ir1 s ILE 140 Cb -0.23 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 1ir1 s ILE 140 CO 0.07 -0.24 1.33 -2.16 0.00 0.00 0.00 174.94 173.93 1ir1 s PRO 141 N 2.57 3.53 0.52 2.79 0.04 -1.26 -4.70 135.00 138.50 1ir1 s PRO 141 Ca 0.23 2.17 0.20 0.00 0.04 0.00 0.00 61.00 63.64 1ir1 s PRO 141 Cb -0.15 -2.47 1.32 0.00 0.04 0.00 0.00 34.50 33.25 1ir1 s PRO 141 CO 0.14 -0.86 2.09 -0.39 0.04 0.00 0.00 177.00 178.01 1ir1 h VAL 142 N 1.90 0.89 -0.14 -0.36 -1.51 -1.84 -0.26 116.25 114.94 1ir1 h VAL 142 Ca -0.50 -0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.92 1ir1 h VAL 142 Cb 1.27 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 1ir1 h VAL 142 CO 0.60 0.00 -0.14 0.00 -1.23 0.00 0.00 177.57 176.80 1ir1 h ALA 143 N 1.89 1.51 0.11 5.19 0.00 -1.91 -2.01 119.26 124.04 1ir1 h ALA 143 Ca 0.10 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.50 1ir1 h ALA 143 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ir1 h ALA 143 CO -0.00 0.35 -1.56 -0.92 0.00 0.00 0.00 179.25 177.11 1ir1 h TYR 144 N 0.21 0.40 -1.00 0.00 3.20 -1.45 -3.33 116.97 115.00 1ir1 h TYR 144 Ca 0.04 -0.30 0.08 0.00 3.14 0.00 0.00 58.73 61.70 1ir1 h TYR 144 Cb 0.38 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 1ir1 h TYR 144 CO 0.01 1.37 0.64 0.28 -1.64 0.00 0.00 178.16 178.82 1ir1 h VAL 145 N 0.06 1.04 0.00 1.81 2.07 -0.93 -1.57 116.25 118.72 1ir1 h VAL 145 Ca -0.25 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1ir1 h VAL 145 Cb 2.01 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1ir1 h VAL 145 CO 0.15 0.20 0.00 0.29 0.02 0.00 0.00 177.57 178.23 1ir1 n LYS 146 N -4.53 0.06 0.00 1.57 4.76 -0.78 -2.00 118.16 117.23 1ir1 n LYS 146 Ca 0.16 0.42 0.14 0.00 -2.87 0.00 0.00 58.31 56.17 1ir1 n LYS 146 Cb 0.24 -1.64 0.62 0.00 -1.84 0.00 0.00 35.03 32.41 1ir1 n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ir1 n THR 147 N -1.75 0.00 -4.18 -0.18 -2.24 -0.59 -4.87 114.28 100.46 1ir1 n THR 147 Ca 0.01 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 1ir1 n THR 147 Cb 0.10 0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 1ir1 n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1ir1 s PHE 148 N -2.18 2.92 0.04 4.78 0.40 -0.85 -3.38 117.98 119.71 1ir1 s PHE 148 Ca 0.36 -0.12 -0.15 0.00 -0.60 0.00 0.00 56.93 56.42 1ir1 s PHE 148 Cb 0.21 -1.38 -0.34 0.00 0.51 0.00 0.00 43.02 42.02 1ir1 s PHE 148 CO 0.40 0.54 1.03 0.37 0.70 0.00 0.00 175.22 178.25 1ir1 h GLN 149 N 2.30 0.54 0.00 0.44 4.15 -1.87 -3.50 115.11 117.16 1ir1 h GLN 149 Ca -0.47 -0.89 0.00 0.00 0.77 0.00 0.00 58.65 58.06 1ir1 h GLN 149 Cb 1.22 0.33 0.00 0.00 0.21 0.00 0.00 27.48 29.23 1ir1 h GLN 149 CO 0.60 1.42 0.00 0.41 -1.93 0.00 0.00 178.83 179.33 1ir1 n GLY 150 N 1.66 -1.78 3.66 2.39 0.00 -1.03 -4.88 105.19 105.21 1ir1 n GLY 150 Ca -0.16 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 43.97 1ir1 n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ir1 n PRO 151 N 0.00 1.86 -0.23 1.61 -0.02 -1.24 -4.22 135.00 132.76 1ir1 n PRO 151 Ca 0.00 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 1ir1 n PRO 151 Cb 0.00 -2.22 0.42 0.00 -0.02 0.00 0.00 33.50 31.68 1ir1 n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ir1 h PRO 152 N 3.24 0.58 0.00 0.52 0.11 -1.82 -3.40 132.00 131.22 1ir1 h PRO 152 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ir1 h PRO 152 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ir1 h PRO 152 CO 0.68 0.38 -0.15 0.72 -0.21 0.00 0.00 178.00 179.43 1ir1 n HIS 153 N -4.53 -0.99 0.00 0.65 8.25 -1.26 -4.73 115.22 112.61 1ir1 n HIS 153 Ca 0.16 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1ir1 n HIS 153 Cb 0.48 0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.94 1ir1 n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ir1 n GLY 154 N 2.21 0.78 0.40 -1.41 0.00 -1.26 -4.45 105.19 101.46 1ir1 n GLY 154 Ca 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 1ir1 n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ir1 h ILE 155 N 0.00 0.09 0.19 -0.61 2.04 -1.77 -0.70 117.51 116.76 1ir1 h ILE 155 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1ir1 h ILE 155 Cb 0.00 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.14 1ir1 h ILE 155 CO 0.00 0.00 -0.35 -0.61 0.00 0.00 0.00 178.15 177.19 1ir1 h GLN 156 N -0.30 -0.60 -0.62 2.37 4.15 -1.90 -1.72 115.11 116.49 1ir1 h GLN 156 Ca 0.15 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1ir1 h GLN 156 Cb 0.58 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 1ir1 h GLN 156 CO -0.62 -0.40 0.29 0.28 -1.93 0.00 0.00 178.83 176.45 1ir1 h VAL 157 N -0.63 1.21 -0.02 2.39 2.07 -1.74 -1.44 116.25 118.09 1ir1 h VAL 157 Ca 0.01 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1ir1 h VAL 157 Cb 0.63 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1ir1 h VAL 157 CO -0.16 0.25 0.00 -0.08 0.02 0.00 0.00 177.57 177.60 1ir1 h GLU 158 N 0.88 0.02 -0.93 1.57 4.81 -0.90 -0.27 114.58 119.77 1ir1 h GLU 158 Ca 0.22 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1ir1 h GLU 158 Cb 0.11 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 1ir1 h GLU 158 CO -0.03 0.23 0.62 0.00 -0.73 0.00 0.00 179.01 179.10 1ir1 h ARG 159 N -0.19 1.19 -0.36 1.92 3.08 -1.14 -1.57 114.38 117.30 1ir1 h ARG 159 Ca 0.00 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1ir1 h ARG 159 Cb 0.22 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1ir1 h ARG 159 CO -0.00 0.78 -0.21 -0.44 -1.07 0.00 0.00 179.97 179.03 1ir1 h ASP 160 N 1.22 0.71 -0.25 7.04 3.32 -1.01 0.11 116.42 127.55 1ir1 h ASP 160 Ca 0.36 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1ir1 h ASP 160 Cb -0.07 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1ir1 h ASP 160 CO -0.09 0.91 -0.30 0.11 -1.72 0.00 0.00 179.24 178.14 1ir1 h LYS 161 N 0.62 0.65 -0.00 3.56 1.79 -0.57 -3.22 116.57 119.39 1ir1 h LYS 161 Ca 0.09 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1ir1 h LYS 161 Cb 0.69 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1ir1 h LYS 161 CO 0.05 0.97 -0.26 1.28 -1.08 0.00 0.00 179.45 180.42 1ir1 n LEU 162 N -4.28 0.44 -3.60 2.94 4.77 -0.64 -4.96 117.00 111.68 1ir1 n LEU 162 Ca -0.05 0.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 1ir1 n LEU 162 Cb 0.48 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1ir1 n LEU 162 CO 0.45 0.10 0.14 -3.20 -1.33 0.00 0.00 177.39 173.55 1ir1 n ASN 163 N -1.26 -4.09 -4.10 -1.43 5.15 0.33 -4.67 115.26 105.19 1ir1 n ASN 163 Ca 0.09 -0.63 -0.31 0.00 -0.60 0.00 0.00 54.58 53.12 1ir1 n ASN 163 Cb 0.32 -4.79 -0.16 0.00 -0.53 0.00 0.00 39.78 34.62 1ir1 n ASN 163 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ir1 s LYS 164 N -6.00 2.63 0.06 1.20 1.02 -0.92 -5.02 119.74 112.71 1ir1 s LYS 164 Ca 0.33 -0.70 -0.05 0.00 0.02 0.00 0.00 55.97 55.57 1ir1 s LYS 164 Cb -0.15 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 1ir1 s LYS 164 CO 0.75 -0.11 0.09 0.71 -0.92 0.00 0.00 175.35 175.87 1ir1 s TYR 165 N 1.10 0.28 0.00 3.18 2.02 -1.26 -4.71 117.35 117.96 1ir1 s TYR 165 Ca -0.02 -0.70 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1ir1 s TYR 165 Cb -0.14 -0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.23 1ir1 s TYR 165 CO -0.06 -0.43 0.00 0.41 -1.57 0.00 0.00 175.55 173.90 1ir1 n GLY 166 N 0.28 0.68 3.52 0.71 0.00 -1.26 -5.02 105.19 104.11 1ir1 n GLY 166 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1ir1 n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ir1 s ARG 167 N -0.08 0.97 0.75 1.61 1.70 -1.26 -5.00 118.95 117.62 1ir1 s ARG 167 Ca 0.00 -0.39 -0.13 0.00 -0.47 0.00 0.00 55.73 54.75 1ir1 s ARG 167 Cb 0.00 0.43 0.05 0.00 -0.57 0.00 0.00 34.95 34.85 1ir1 s ARG 167 CO 0.00 -0.43 1.13 -2.14 -1.08 0.00 0.00 175.30 172.78 1ir1 s PRO 168 N -3.27 2.23 0.44 3.89 0.02 -1.16 -4.78 135.00 132.36 1ir1 s PRO 168 Ca 0.05 1.43 -0.05 0.00 0.02 0.00 0.00 61.00 62.45 1ir1 s PRO 168 Cb -0.01 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 1ir1 s PRO 168 CO -0.08 -1.70 0.73 -0.51 -0.33 0.00 0.00 177.00 175.11 1ir1 s LEU 169 N -5.50 3.74 -0.10 -5.54 1.43 -0.01 -4.93 118.68 107.77 1ir1 s LEU 169 Ca 0.67 0.87 0.04 0.00 -1.03 0.00 0.00 54.13 54.68 1ir1 s LEU 169 Cb -0.22 -3.79 -0.00 0.00 0.03 0.00 0.00 46.19 42.21 1ir1 s LEU 169 CO 0.49 -0.49 -0.24 -0.76 0.23 0.00 0.00 176.35 175.58 1ir1 s LEU 170 N -4.49 2.09 0.00 1.79 1.43 -1.26 -0.80 118.68 117.45 1ir1 s LEU 170 Ca 0.46 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1ir1 s LEU 170 Cb -0.10 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1ir1 s LEU 170 CO 0.41 0.17 0.07 0.61 0.23 0.00 0.00 176.35 177.84 1ir1 n GLY 171 N 3.45 3.62 3.61 -3.19 0.00 0.25 -1.05 105.19 111.89 1ir1 n GLY 171 Ca -0.19 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 43.71 1ir1 n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ir1 s THR 173 N 1.43 5.14 0.38 0.00 2.01 -1.26 -4.23 115.64 119.11 1ir1 s THR 173 Ca -0.08 1.09 -0.26 0.00 0.31 0.00 0.00 61.69 62.75 1ir1 s THR 173 Cb -0.04 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.50 1ir1 s THR 173 CO -0.14 0.29 1.22 -0.63 -0.69 0.00 0.00 174.62 174.66 1ir1 s ILE 174 N 0.77 2.97 0.09 1.82 -1.09 -1.26 -4.41 121.20 120.10 1ir1 s ILE 174 Ca 0.29 0.87 0.03 0.00 -2.23 0.00 0.00 60.65 59.62 1ir1 s ILE 174 Cb -0.16 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1ir1 s ILE 174 CO 0.12 0.13 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.33 1ir1 s LYS 175 N -2.11 0.82 0.75 2.79 -0.14 -1.26 -4.38 119.74 116.21 1ir1 s LYS 175 Ca 0.54 -1.16 -0.14 0.00 -1.36 0.00 0.00 55.97 53.85 1ir1 s LYS 175 Cb -0.34 -0.46 0.05 0.00 -1.68 0.00 0.00 37.83 35.40 1ir1 s LYS 175 CO 0.44 0.06 1.21 -1.25 -0.76 0.00 0.00 175.35 175.05 1ir1 s PRO 176 N -2.87 2.01 0.17 -1.68 0.04 -1.26 -5.06 135.00 126.35 1ir1 s PRO 176 Ca 0.05 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 1ir1 s PRO 176 Cb -0.02 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.76 1ir1 s PRO 176 CO -0.01 -1.93 1.58 0.87 0.04 0.00 0.00 177.00 177.55 1ir1 h LYS 177 N -0.46 -0.22 -5.33 4.56 1.57 -1.99 -3.43 116.57 111.27 1ir1 h LYS 177 Ca -0.47 0.02 -0.40 0.00 -1.87 0.00 0.00 60.65 57.92 1ir1 h LYS 177 Cb 1.30 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.51 1ir1 h LYS 177 CO 0.49 -0.15 -0.71 -0.51 -0.57 0.00 0.00 179.45 178.00 1ir1 s LEU 178 N -10.61 2.49 0.00 2.94 1.43 -1.26 -4.75 118.68 108.93 1ir1 s LEU 178 Ca -0.14 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 1ir1 s LEU 178 Cb 0.14 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.85 1ir1 s LEU 178 CO 0.67 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.57 1ir1 n GLY 179 N -0.35 2.50 3.83 -3.19 0.00 -1.26 -5.10 105.19 101.62 1ir1 n GLY 179 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1ir1 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ir1 s LEU 180 N 0.00 4.16 0.69 0.99 1.43 -1.26 -5.02 118.68 119.67 1ir1 s LEU 180 Ca 0.00 1.42 -0.10 0.00 -1.03 0.00 0.00 54.13 54.42 1ir1 s LEU 180 Cb 0.00 -3.98 0.02 0.00 0.03 0.00 0.00 46.19 42.27 1ir1 s LEU 180 CO 0.00 -0.14 1.06 -0.94 0.23 0.00 0.00 176.35 176.56 1ir1 s SER 181 N -2.02 5.34 0.16 2.29 1.04 -1.26 -4.48 113.70 114.78 1ir1 s SER 181 Ca 0.51 0.98 -0.15 0.00 0.48 0.00 0.00 55.95 57.76 1ir1 s SER 181 Cb -0.13 -1.77 0.08 0.00 0.10 0.00 0.00 66.02 64.30 1ir1 s SER 181 CO 0.18 -1.36 1.77 0.00 0.98 0.00 0.00 173.24 174.81 1ir1 h ALA 182 N -0.60 0.48 -0.63 5.32 0.00 -1.93 -0.56 119.26 121.35 1ir1 h ALA 182 Ca -0.45 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1ir1 h ALA 182 Cb 1.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ir1 h ALA 182 CO 0.63 -0.20 0.10 -0.22 0.00 0.00 0.00 179.25 179.56 1ir1 h LYS 183 N 0.36 1.04 -0.01 0.00 3.64 -1.94 -2.08 116.57 117.57 1ir1 h LYS 183 Ca 0.18 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1ir1 h LYS 183 Cb 0.12 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ir1 h LYS 183 CO -0.15 0.97 -0.39 -0.91 -2.27 0.00 0.00 179.45 176.69 1ir1 h ASN 184 N 0.95 0.03 -0.36 4.20 2.35 -1.89 -1.02 115.58 119.85 1ir1 h ASN 184 Ca 0.19 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 1ir1 h ASN 184 Cb 0.43 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1ir1 h ASN 184 CO 0.01 0.42 0.08 0.22 -1.65 0.00 0.00 177.43 176.51 1ir1 h TYR 185 N 0.02 0.61 -0.56 1.19 3.20 -0.70 -1.78 116.97 118.96 1ir1 h TYR 185 Ca -0.00 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 1ir1 h TYR 185 Cb 0.71 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1ir1 h TYR 185 CO 0.00 0.61 0.08 0.78 -1.64 0.00 0.00 178.16 177.99 1ir1 h GLY 186 N 0.43 0.97 1.02 1.82 0.00 -1.00 -1.34 103.07 104.97 1ir1 h GLY 186 Ca 0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1ir1 h GLY 186 CO 0.00 0.57 0.29 -0.09 0.00 0.00 0.00 176.54 177.32 1ir1 h ARG 187 N 0.85 1.02 -0.53 4.80 2.43 -0.98 -1.05 114.38 120.92 1ir1 h ARG 187 Ca 0.17 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1ir1 h ARG 187 Cb 0.40 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1ir1 h ARG 187 CO 0.01 0.84 0.03 0.00 -1.51 0.00 0.00 179.97 179.33 1ir1 h ALA 188 N 1.13 0.71 0.00 2.80 0.00 -1.04 -2.74 119.26 120.13 1ir1 h ALA 188 Ca 0.23 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ir1 h ALA 188 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ir1 h ALA 188 CO -0.02 0.51 -0.00 0.28 0.00 0.00 0.00 179.25 180.01 1ir1 h VAL 189 N 0.79 1.04 -0.42 0.00 2.07 -0.90 -1.80 116.25 117.03 1ir1 h VAL 189 Ca 0.15 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1ir1 h VAL 189 Cb 0.49 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1ir1 h VAL 189 CO 0.02 0.03 0.14 0.22 0.02 0.00 0.00 177.57 178.01 1ir1 h TYR 190 N -0.06 0.25 -0.80 1.57 3.20 -1.18 -1.07 116.97 118.88 1ir1 h TYR 190 Ca -0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1ir1 h TYR 190 Cb 0.06 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 1ir1 h TYR 190 CO -0.06 0.09 0.31 0.93 -1.64 0.00 0.00 178.16 177.79 1ir1 h GLU 191 N 0.30 1.20 -0.05 1.82 4.39 -1.38 -1.52 114.58 119.34 1ir1 h GLU 191 Ca 0.19 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1ir1 h GLU 191 Cb 0.19 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ir1 h GLU 191 CO -0.21 0.97 0.00 0.00 -1.16 0.00 0.00 179.01 178.62 1ir1 h LEU 193 N -0.21 0.86 -0.48 0.00 3.38 -1.11 -2.69 115.31 115.06 1ir1 h LEU 193 Ca 0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ir1 h LEU 193 Cb 0.32 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ir1 h LEU 193 CO 0.00 0.86 0.00 -2.11 0.09 0.00 0.00 178.44 177.28 1ir1 n ARG 194 N -4.25 0.11 0.00 1.13 1.85 -0.58 -2.36 116.66 112.56 1ir1 n ARG 194 Ca 0.04 0.39 0.13 0.00 -1.00 0.00 0.00 57.85 57.41 1ir1 n ARG 194 Cb 0.25 -1.73 0.41 0.00 -1.05 0.00 0.00 32.46 30.35 1ir1 n ARG 194 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ir1 n GLY 195 N -0.23 -1.11 0.00 2.89 0.00 -1.01 -4.92 105.19 100.80 1ir1 n GLY 195 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ir1 n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ir1 n GLY 196 N 1.43 0.69 3.80 -0.02 0.00 -1.00 -2.74 105.19 107.35 1ir1 n GLY 196 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1ir1 n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ir1 s LEU 197 N 0.00 4.16 0.02 0.99 1.43 -1.25 -4.82 118.68 119.22 1ir1 s LEU 197 Ca 0.00 1.71 -0.09 0.00 -1.03 0.00 0.00 54.13 54.72 1ir1 s LEU 197 Cb 0.00 -4.20 -0.31 0.00 0.03 0.00 0.00 46.19 41.71 1ir1 s LEU 197 CO 0.00 -0.19 0.94 0.44 0.23 0.00 0.00 176.35 177.77 1ir1 h ASP 198 N 2.61 0.58 -4.48 2.29 3.32 -1.49 -3.43 116.42 115.82 1ir1 h ASP 198 Ca -0.48 -0.70 -0.26 0.00 0.02 0.00 0.00 57.03 55.61 1ir1 h ASP 198 Cb 1.19 -0.19 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 1ir1 h ASP 198 CO 0.63 1.57 -0.69 -0.36 -1.72 0.00 0.00 179.24 178.67 1ir1 s PHE 199 N -2.61 1.06 0.00 4.55 0.08 -0.22 -2.15 117.98 118.69 1ir1 s PHE 199 Ca -0.09 -0.93 0.00 0.00 0.12 0.00 0.00 56.93 56.03 1ir1 s PHE 199 Cb 0.06 -0.60 0.00 0.00 -0.57 0.00 0.00 43.02 41.91 1ir1 s PHE 199 CO 0.89 -0.14 0.00 0.25 -0.10 0.00 0.00 175.22 176.12 1ir1 n THR 200 N -0.14 0.00 -3.75 0.64 -2.24 -1.09 -2.47 114.28 105.23 1ir1 n THR 200 Ca -0.10 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 1ir1 n THR 200 Cb 0.62 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1ir1 n THR 200 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ir1 s ASP 202 N -0.76 6.50 0.70 3.42 1.01 -1.06 -1.47 116.67 125.02 1ir1 s ASP 202 Ca 0.00 0.57 -0.14 0.00 0.71 0.00 0.00 52.55 53.69 1ir1 s ASP 202 Cb 0.00 -2.09 0.02 0.00 1.01 0.00 0.00 42.92 41.86 1ir1 s ASP 202 CO 0.00 0.24 1.13 -0.62 0.21 0.00 0.00 175.17 176.13 1ir1 s ASP 203 N -1.72 4.72 0.43 0.27 -1.08 -1.26 -4.88 116.67 113.15 1ir1 s ASP 203 Ca 0.28 2.06 0.18 0.00 -0.52 0.00 0.00 52.55 54.55 1ir1 s ASP 203 Cb -0.13 -2.56 1.11 0.00 -1.46 0.00 0.00 42.92 39.88 1ir1 s ASP 203 CO 0.16 -1.90 1.89 1.05 0.52 0.00 0.00 175.17 176.90 1ir1 h GLU 204 N -0.30 0.36 -0.18 4.34 9.09 -1.98 -0.29 114.58 125.62 1ir1 h GLU 204 Ca -0.46 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1ir1 h GLU 204 Cb 1.26 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1ir1 h GLU 204 CO 0.52 0.24 0.00 0.27 0.05 0.00 0.00 179.01 180.09 1ir1 n ASN 205 N -4.48 1.73 -4.49 3.06 6.94 -1.26 -4.75 115.26 112.01 1ir1 n ASN 205 Ca 0.17 -1.72 -0.43 0.00 -0.02 0.00 0.00 54.58 52.58 1ir1 n ASN 205 Cb 0.64 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.91 1ir1 n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ir1 s VAL 206 N -1.78 4.44 0.00 3.53 1.01 -0.12 -4.83 120.40 122.65 1ir1 s VAL 206 Ca 0.32 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1ir1 s VAL 206 Cb 0.17 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1ir1 s VAL 206 CO 0.26 -1.16 0.00 0.59 0.00 0.00 0.00 175.10 174.79 1ir1 n ASN 207 N 7.35 0.00 -3.59 3.32 5.03 -1.26 -4.73 115.26 121.38 1ir1 n ASN 207 Ca -0.01 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.32 1ir1 n ASN 207 Cb 0.47 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.11 1ir1 n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1ir1 s SER 208 N 0.95 0.28 0.21 6.41 0.15 -1.26 -4.02 113.70 116.41 1ir1 s SER 208 Ca 0.00 0.55 -0.01 0.00 0.70 0.00 0.00 55.95 57.19 1ir1 s SER 208 Cb 0.00 0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 65.18 1ir1 s SER 208 CO 0.00 -0.26 0.12 -1.10 1.20 0.00 0.00 173.24 173.20 1ir1 s GLN 209 N 2.48 1.22 0.27 5.44 1.11 -0.54 -4.92 119.66 124.73 1ir1 s GLN 209 Ca 0.03 -1.64 0.00 0.00 0.01 0.00 0.00 55.36 53.76 1ir1 s GLN 209 Cb -0.13 0.16 0.60 0.00 -1.01 0.00 0.00 33.01 32.64 1ir1 s GLN 209 CO -0.11 -0.36 1.72 -1.35 0.01 0.00 0.00 175.29 175.19 1ir1 h PRO 210 N 2.59 0.44 0.00 2.91 0.11 -2.02 -0.89 132.00 135.14 1ir1 h PRO 210 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ir1 h PRO 210 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ir1 h PRO 210 CO 0.55 0.29 0.00 0.27 -0.21 0.00 0.00 178.00 178.90 1ir1 h PHE 211 N 0.45 0.00 -0.95 0.65 -5.15 -1.95 -3.43 116.94 106.56 1ir1 h PHE 211 Ca 0.49 0.00 0.11 0.00 -0.20 0.00 0.00 57.97 58.38 1ir1 h PHE 211 Cb 0.84 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.80 1ir1 h PHE 211 CO -0.14 0.00 -0.19 1.41 -2.00 0.00 0.00 178.31 177.39 1ir1 s MET 212 N -3.48 0.51 0.26 6.09 0.00 -0.35 -4.34 119.30 117.99 1ir1 s MET 212 Ca 0.04 0.92 -0.22 0.00 0.00 0.00 0.00 55.69 56.43 1ir1 s MET 212 Cb 0.08 0.52 -0.09 0.00 0.00 0.00 0.00 34.83 35.34 1ir1 s MET 212 CO 0.58 -0.52 0.81 1.03 0.00 0.00 0.00 175.02 176.91 1ir1 s ARG 213 N 2.87 4.39 0.21 4.11 1.81 -1.19 -1.46 118.95 129.69 1ir1 s ARG 213 Ca 0.16 1.05 -0.09 0.00 -1.72 0.00 0.00 55.73 55.13 1ir1 s ARG 213 Cb -0.14 -2.87 0.32 0.00 -0.45 0.00 0.00 34.95 31.81 1ir1 s ARG 213 CO -0.19 0.36 1.71 0.11 -0.68 0.00 0.00 175.30 176.61 1ir1 h TRP 214 N 3.38 0.26 -0.64 -0.53 5.08 -1.90 -2.46 115.95 119.14 1ir1 h TRP 214 Ca -0.47 0.04 -0.05 0.00 1.08 0.00 0.00 58.89 59.48 1ir1 h TRP 214 Cb 1.19 -0.02 -0.03 0.00 -3.00 0.00 0.00 29.16 27.30 1ir1 h TRP 214 CO 0.63 -0.01 0.18 -0.09 -1.28 0.00 0.00 178.44 177.87 1ir1 h ARG 215 N 0.30 0.99 -0.56 0.12 2.43 -1.94 -0.35 114.38 115.36 1ir1 h ARG 215 Ca 0.33 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1ir1 h ARG 215 Cb 0.48 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1ir1 h ARG 215 CO -0.40 0.86 0.12 -0.44 -1.51 0.00 0.00 179.97 178.61 1ir1 h ASP 216 N 0.95 0.86 -0.01 -3.80 3.32 -1.90 -1.73 116.42 114.12 1ir1 h ASP 216 Ca 0.21 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1ir1 h ASP 216 Cb 0.30 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ir1 h ASP 216 CO -0.00 0.88 0.00 -0.09 -1.72 0.00 0.00 179.24 178.31 1ir1 h ARG 217 N 0.80 0.01 -0.63 3.56 2.43 -0.97 -1.77 114.38 117.81 1ir1 h ARG 217 Ca 0.17 -0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1ir1 h ARG 217 Cb 0.36 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 1ir1 h ARG 217 CO 0.00 0.09 0.29 0.74 -1.51 0.00 0.00 179.97 179.58 1ir1 h PHE 218 N -0.08 0.51 -0.09 2.20 -1.00 -0.98 0.04 116.94 117.54 1ir1 h PHE 218 Ca 0.00 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 1ir1 h PHE 218 Cb 0.09 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.51 1ir1 h PHE 218 CO -0.05 0.19 0.04 1.25 -1.61 0.00 0.00 178.31 178.13 1ir1 h LEU 219 N 0.51 0.11 -0.72 1.54 6.46 -1.13 -1.77 115.31 120.32 1ir1 h LEU 219 Ca 0.31 -0.12 -0.14 0.00 -0.12 0.00 0.00 57.88 57.81 1ir1 h LEU 219 Cb 0.31 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1ir1 h LEU 219 CO -0.26 0.20 -0.53 -0.26 -0.62 0.00 0.00 178.44 176.97 1ir1 h PHE 220 N 0.02 0.37 -0.16 1.25 0.04 -1.07 -2.80 116.94 114.58 1ir1 h PHE 220 Ca 0.03 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.57 1ir1 h PHE 220 Cb 0.11 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1ir1 h PHE 220 CO -0.03 0.77 -0.37 0.00 -0.60 0.00 0.00 178.31 178.08 1ir1 h ALA 222 N 1.33 0.35 -0.64 0.00 0.00 -1.16 0.56 119.26 119.69 1ir1 h ALA 222 Ca 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ir1 h ALA 222 Cb 0.78 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1ir1 h ALA 222 CO 0.06 0.04 0.41 1.49 0.00 0.00 0.00 179.25 181.25 1ir1 h GLU 223 N 0.24 0.80 -0.17 0.00 4.81 -1.30 -1.82 114.58 117.13 1ir1 h GLU 223 Ca 0.08 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1ir1 h GLU 223 Cb 0.34 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1ir1 h GLU 223 CO 0.01 0.53 0.06 0.00 -0.73 0.00 0.00 179.01 178.87 1ir1 h ALA 224 N 1.26 0.22 -0.32 2.92 0.00 -1.05 -2.21 119.26 120.08 1ir1 h ALA 224 Ca 0.25 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1ir1 h ALA 224 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ir1 h ALA 224 CO -0.08 -0.17 -0.24 1.37 0.00 0.00 0.00 179.25 180.14 1ir1 h LEU 225 N 0.10 0.63 -1.01 0.00 8.10 -0.71 -1.86 115.31 120.56 1ir1 h LEU 225 Ca 0.06 -0.22 -0.10 0.00 0.11 0.00 0.00 57.88 57.72 1ir1 h LEU 225 Cb 0.21 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.25 1ir1 h LEU 225 CO -0.00 0.85 -0.47 1.88 -4.11 0.00 0.00 178.44 176.59 1ir1 h TYR 226 N 0.55 0.06 -0.22 0.17 0.05 -1.32 -1.18 116.97 115.08 1ir1 h TYR 226 Ca 0.08 -0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.73 1ir1 h TYR 226 Cb 0.70 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.42 1ir1 h TYR 226 CO 0.03 0.51 -0.30 -0.22 -1.05 0.00 0.00 178.16 177.13 1ir1 h LYS 227 N 0.04 0.59 -0.59 4.88 3.64 -1.07 -2.22 116.57 121.85 1ir1 h LYS 227 Ca -0.00 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 58.97 1ir1 h LYS 227 Cb 0.85 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1ir1 h LYS 227 CO 0.06 0.95 0.10 0.00 -2.27 0.00 0.00 179.45 178.29 1ir1 h ALA 228 N 0.64 1.07 -0.43 5.00 0.00 -1.17 -1.59 119.26 122.78 1ir1 h ALA 228 Ca 0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1ir1 h ALA 228 Cb 0.87 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1ir1 h ALA 228 CO 0.07 0.60 -0.12 0.37 0.00 0.00 0.00 179.25 180.17 1ir1 h GLN 229 N 0.89 0.83 -0.80 0.00 4.15 -1.20 -1.58 115.11 117.41 1ir1 h GLN 229 Ca 0.18 -0.33 -0.05 0.00 0.77 0.00 0.00 58.65 59.23 1ir1 h GLN 229 Cb 0.39 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1ir1 h GLN 229 CO 0.01 0.96 0.31 0.00 -1.93 0.00 0.00 178.83 178.18 1ir1 h ALA 230 N 0.85 1.05 -0.37 3.38 0.00 -1.22 0.47 119.26 123.42 1ir1 h ALA 230 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1ir1 h ALA 230 Cb 0.66 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ir1 h ALA 230 CO 0.05 0.67 -0.12 1.49 0.00 0.00 0.00 179.25 181.34 1ir1 h GLU 231 N 1.16 0.73 0.00 0.00 4.81 -1.12 -3.35 114.58 116.81 1ir1 h GLU 231 Ca 0.26 -0.29 -0.30 0.00 -0.13 0.00 0.00 59.36 58.90 1ir1 h GLU 231 Cb 0.22 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1ir1 h GLU 231 CO -0.02 0.89 -1.81 0.25 -0.73 0.00 0.00 179.01 177.60 1ir1 n THR 232 N -4.35 1.58 -0.65 0.32 -2.24 -0.61 -4.99 114.28 103.35 1ir1 n THR 232 Ca -0.02 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1ir1 n THR 232 Cb 0.37 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 1ir1 n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ir1 n GLY 233 N 1.59 0.73 3.47 3.38 0.00 0.15 -5.04 105.19 109.46 1ir1 n GLY 233 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1ir1 n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ir1 s GLU 234 N -0.35 2.31 0.21 1.61 2.02 -1.25 -5.07 118.70 118.16 1ir1 s GLU 234 Ca 0.00 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 1ir1 s GLU 234 Cb 0.00 -2.29 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1ir1 s GLU 234 CO 0.00 0.58 1.42 0.42 0.02 0.00 0.00 175.26 177.71 1ir1 s ILE 235 N -0.82 2.86 0.30 -1.63 1.01 -1.26 -4.54 121.20 117.11 1ir1 s ILE 235 Ca 0.13 0.69 0.11 0.00 0.00 0.00 0.00 60.65 61.58 1ir1 s ILE 235 Cb -0.11 -3.44 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 1ir1 s ILE 235 CO 0.03 0.09 -0.15 -0.54 0.00 0.00 0.00 174.94 174.37 1ir1 s LYS 236 N 0.09 1.73 0.07 2.79 -0.14 -1.26 -4.91 119.74 118.10 1ir1 s LYS 236 Ca 0.61 -1.84 -0.17 0.00 -1.36 0.00 0.00 55.97 53.22 1ir1 s LYS 236 Cb -0.40 -1.71 0.03 0.00 -1.68 0.00 0.00 37.83 34.07 1ir1 s LYS 236 CO 0.39 0.24 0.39 0.20 -0.76 0.00 0.00 175.35 175.81 1ir1 s GLY 237 N -3.54 -0.25 -0.08 -3.33 0.00 -0.91 -4.79 107.32 94.41 1ir1 s GLY 237 Ca 0.31 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 45.17 1ir1 s GLY 237 CO 0.15 -0.10 0.02 -1.58 0.00 0.00 0.00 173.10 171.60 1ir1 s HIS 238 N -2.89 0.53 -0.45 1.90 2.46 -1.26 -2.69 115.29 112.89 1ir1 s HIS 238 Ca -0.03 -0.12 -0.27 0.00 0.47 0.00 0.00 55.06 55.12 1ir1 s HIS 238 Cb 0.00 -0.74 -0.04 0.00 -0.13 0.00 0.00 32.58 31.68 1ir1 s HIS 238 CO -0.05 -0.32 2.04 0.71 -2.47 0.00 0.00 174.74 174.65 1ir1 s TYR 239 N 2.02 1.47 -0.24 3.88 2.02 -0.54 -4.69 117.35 121.27 1ir1 s TYR 239 Ca 0.05 0.92 -0.25 0.00 -0.37 0.00 0.00 57.07 57.42 1ir1 s TYR 239 Cb -0.13 -3.94 -0.00 0.00 -0.40 0.00 0.00 41.96 37.49 1ir1 s TYR 239 CO -0.05 -2.79 0.83 -0.51 -1.57 0.00 0.00 175.55 171.46 1ir1 s LEU 240 N 9.23 4.08 -0.10 -1.29 1.43 -1.20 -2.56 118.68 128.28 1ir1 s LEU 240 Ca 0.84 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 54.69 1ir1 s LEU 240 Cb -0.19 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1ir1 s LEU 240 CO 0.28 -0.52 1.43 0.21 0.23 0.00 0.00 176.35 177.98 1ir1 s ASN 241 N 1.33 6.83 0.00 2.29 3.84 -1.26 -1.17 114.94 126.80 1ir1 s ASN 241 Ca 0.35 1.95 0.22 0.00 0.21 0.00 0.00 52.86 55.59 1ir1 s ASN 241 Cb -0.15 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.09 1ir1 s ASN 241 CO 0.07 -0.82 1.13 0.00 -2.79 0.00 0.00 177.10 174.70 1ir1 n ALA 242 N 6.64 2.99 -1.67 1.71 0.00 -0.47 -4.92 120.51 124.79 1ir1 n ALA 242 Ca 0.15 -0.65 -0.48 0.00 0.00 0.00 0.00 53.44 52.46 1ir1 n ALA 242 Cb 0.44 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 1ir1 n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ir1 n THR 243 N 0.61 0.16 -4.15 0.00 -1.04 -1.26 -4.39 114.28 104.21 1ir1 n THR 243 Ca 0.11 -0.03 -0.16 0.00 -2.04 0.00 0.00 64.05 61.93 1ir1 n THR 243 Cb 0.50 -1.53 -0.05 0.00 -1.82 0.00 0.00 70.33 67.43 1ir1 n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ir1 s ALA 244 N 1.78 1.16 -0.17 2.41 0.00 -1.26 -4.82 121.76 120.85 1ir1 s ALA 244 Ca 0.84 -1.72 0.21 0.00 0.00 0.00 0.00 51.96 51.29 1ir1 s ALA 244 Cb -0.73 1.26 0.47 0.00 0.00 0.00 0.00 23.12 24.12 1ir1 s ALA 244 CO 0.43 -0.75 1.64 0.78 0.00 0.00 0.00 175.76 177.86 1ir1 h GLY 245 N 2.10 0.00 -2.93 0.00 0.00 -1.95 -3.47 103.07 96.83 1ir1 h GLY 245 Ca -0.27 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 1ir1 h GLY 245 CO 0.38 0.00 -0.65 -0.51 0.00 0.00 0.00 176.54 175.76 1ir1 s THR 246 N -3.26 0.13 0.23 4.70 -4.23 -1.26 -5.04 115.64 106.91 1ir1 s THR 246 Ca 0.04 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1ir1 s THR 246 Cb 0.07 -1.98 0.21 0.00 1.34 0.00 0.00 72.50 72.14 1ir1 s THR 246 CO 0.68 -0.53 1.87 0.00 -0.54 0.00 0.00 174.62 176.09 1ir1 h GLU 248 N 1.25 0.28 -0.53 0.00 3.07 -1.99 -1.40 114.58 115.27 1ir1 h GLU 248 Ca 0.32 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.07 1ir1 h GLU 248 Cb -0.02 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1ir1 h GLU 248 CO -0.06 0.28 0.04 -0.44 -1.40 0.00 0.00 179.01 177.44 1ir1 h ASP 249 N 0.21 0.83 -0.43 1.42 3.32 -1.93 -1.45 116.42 118.39 1ir1 h ASP 249 Ca 0.07 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1ir1 h ASP 249 Cb 0.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1ir1 h ASP 249 CO -0.01 0.87 0.23 -0.03 -1.72 0.00 0.00 179.24 178.57 1ir1 h MET 250 N 0.81 0.60 -0.41 3.56 4.05 -1.10 -2.76 114.93 119.69 1ir1 h MET 250 Ca 0.16 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.42 1ir1 h MET 250 Cb 0.43 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1ir1 h MET 250 CO 0.02 0.49 -0.12 0.52 0.23 0.00 0.00 176.91 178.05 1ir1 h MET 251 N 0.55 0.72 -0.60 0.39 2.86 -1.04 -2.53 114.93 115.29 1ir1 h MET 251 Ca 0.15 -0.23 0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1ir1 h MET 251 Cb 0.07 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 1ir1 h MET 251 CO -0.02 0.81 0.28 -0.22 1.06 0.00 0.00 176.91 178.82 1ir1 h LYS 252 N 0.66 0.49 -0.28 1.72 3.64 -1.01 -0.32 116.57 121.46 1ir1 h LYS 252 Ca 0.11 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.28 1ir1 h LYS 252 Cb 0.57 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1ir1 h LYS 252 CO 0.04 0.33 -0.56 0.00 -2.27 0.00 0.00 179.45 176.98 1ir1 h ARG 253 N 0.51 0.86 -0.74 1.90 3.08 -1.33 -2.82 114.38 115.84 1ir1 h ARG 253 Ca 0.28 -0.55 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1ir1 h ARG 253 Cb 0.26 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1ir1 h ARG 253 CO -0.23 1.19 0.26 0.00 -1.07 0.00 0.00 179.97 180.12 1ir1 h ALA 254 N 0.70 0.96 -0.84 0.04 0.00 -1.10 -2.22 119.26 116.79 1ir1 h ALA 254 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ir1 h ALA 254 Cb 1.17 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1ir1 h ALA 254 CO 0.12 0.62 0.49 0.28 0.00 0.00 0.00 179.25 180.76 1ir1 h VAL 255 N 1.08 1.24 -0.17 0.00 2.07 -1.01 -1.48 116.25 117.97 1ir1 h VAL 255 Ca 0.24 -0.55 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 1ir1 h VAL 255 Cb 0.27 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1ir1 h VAL 255 CO -0.01 0.26 -0.43 0.15 0.02 0.00 0.00 177.57 177.55 1ir1 h PHE 256 N 1.16 0.50 -0.69 1.57 3.57 -1.25 -0.74 116.94 121.06 1ir1 h PHE 256 Ca 0.30 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1ir1 h PHE 256 Cb -0.02 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1ir1 h PHE 256 CO 0.00 0.78 0.27 0.00 -2.23 0.00 0.00 178.31 177.13 1ir1 h ALA 257 N 1.20 1.18 -0.33 2.41 0.00 -0.95 -0.92 119.26 121.84 1ir1 h ALA 257 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ir1 h ALA 257 Cb 0.90 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ir1 h ALA 257 CO 0.08 0.59 0.11 -0.09 0.00 0.00 0.00 179.25 179.94 1ir1 h ARG 258 N 1.00 0.51 -0.94 0.00 1.12 -0.72 -2.65 114.38 112.70 1ir1 h ARG 258 Ca 0.23 -0.10 0.02 0.00 -1.11 0.00 0.00 59.98 59.02 1ir1 h ARG 258 Cb 0.20 -0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.03 1ir1 h ARG 258 CO -0.02 0.53 0.62 1.49 -3.11 0.00 0.00 179.97 179.48 1ir1 h GLU 259 N 0.38 1.20 0.00 0.20 4.81 -0.53 -1.49 114.58 119.15 1ir1 h GLU 259 Ca 0.11 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1ir1 h GLU 259 Cb 0.23 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1ir1 h GLU 259 CO -0.01 0.80 0.00 -0.07 -0.73 0.00 0.00 179.01 179.00 1ir1 h LEU 260 N 1.24 0.00 0.11 1.64 3.38 -0.95 -3.47 115.31 117.25 1ir1 h LEU 260 Ca 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 1ir1 h LEU 260 Cb -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ir1 h LEU 260 CO -0.09 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.01 1ir1 n GLY 261 N 0.22 0.55 3.79 0.83 0.00 -0.56 -5.02 105.19 104.99 1ir1 n GLY 261 Ca 0.03 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1ir1 n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ir1 s VAL 262 N -1.94 3.65 -0.32 1.61 -7.23 -1.20 -5.00 120.40 109.98 1ir1 s VAL 262 Ca 0.00 0.62 0.21 0.00 -1.81 0.00 0.00 61.98 61.00 1ir1 s VAL 262 Cb 0.00 -3.21 0.19 0.00 0.56 0.00 0.00 36.38 33.92 1ir1 s VAL 262 CO 0.00 -0.61 1.43 1.55 -0.31 0.00 0.00 175.10 177.16 1ir1 h PRO 263 N -0.46 0.00 -3.14 4.82 0.13 -1.91 -3.46 132.00 127.99 1ir1 h PRO 263 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1ir1 h PRO 263 Cb 1.22 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.14 1ir1 h PRO 263 CO 0.55 0.14 -0.35 -1.50 -0.23 0.00 0.00 178.00 176.61 1ir1 s ILE 264 N -3.15 0.05 0.27 -3.56 2.07 -1.26 -1.27 121.20 114.35 1ir1 s ILE 264 Ca 0.04 -0.39 0.04 0.00 -1.41 0.00 0.00 60.65 58.93 1ir1 s ILE 264 Cb 0.07 -0.52 -0.06 0.00 0.13 0.00 0.00 42.46 42.08 1ir1 s ILE 264 CO 0.72 -0.22 0.02 0.68 -1.91 0.00 0.00 174.94 174.23 1ir1 s VAL 265 N -0.94 1.14 0.16 4.00 -7.23 -0.79 -3.21 120.40 113.53 1ir1 s VAL 265 Ca -0.10 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 1ir1 s VAL 265 Cb -0.05 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1ir1 s VAL 265 CO 0.03 -0.19 -0.07 0.00 -0.31 0.00 0.00 175.10 174.56 1ir1 s MET 266 N -3.86 1.11 -0.14 4.82 0.23 -0.32 -0.79 119.30 120.34 1ir1 s MET 266 Ca 0.32 -1.50 -0.13 0.00 -1.03 0.00 0.00 55.69 53.35 1ir1 s MET 266 Cb 0.07 -0.55 0.04 0.00 -1.53 0.00 0.00 34.83 32.85 1ir1 s MET 266 CO 0.12 0.01 0.38 -1.58 -2.03 0.00 0.00 175.02 171.91 1ir1 s HIS 267 N -3.41 -0.42 -0.78 3.16 5.04 -0.38 -1.37 115.29 117.13 1ir1 s HIS 267 Ca 0.20 1.02 -0.20 0.00 -1.54 0.00 0.00 55.06 54.54 1ir1 s HIS 267 Cb 0.04 0.15 0.11 0.00 0.04 0.00 0.00 32.58 32.91 1ir1 s HIS 267 CO 0.02 -0.21 1.00 -0.51 -2.34 0.00 0.00 174.74 172.70 1ir1 s ASP 268 N 0.28 6.41 0.49 9.88 1.01 -1.26 -1.76 116.67 131.72 1ir1 s ASP 268 Ca -0.01 -1.61 0.21 0.00 0.71 0.00 0.00 52.55 51.85 1ir1 s ASP 268 Cb -0.03 -2.39 1.25 0.00 1.01 0.00 0.00 42.92 42.76 1ir1 s ASP 268 CO -0.00 -1.19 2.05 0.10 0.21 0.00 0.00 175.17 176.34 1ir1 h TYR 269 N 9.11 0.00 0.15 4.23 -0.00 -1.88 0.07 116.97 128.65 1ir1 h TYR 269 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 58.73 58.37 1ir1 h TYR 269 Cb 1.05 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.79 1ir1 h TYR 269 CO 1.04 0.14 -1.48 -0.07 -0.00 0.00 0.00 178.16 177.79 1ir1 h LEU 270 N 0.00 0.49 -0.42 0.10 3.38 -1.79 0.14 115.31 117.21 1ir1 h LEU 270 Ca -0.00 -0.90 -0.17 0.00 0.09 0.00 0.00 57.88 56.90 1ir1 h LEU 270 Cb 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ir1 h LEU 270 CO 0.02 1.66 -0.79 0.71 0.09 0.00 0.00 178.44 180.13 1ir1 h THR 271 N -0.15 1.52 0.16 0.22 1.35 -1.72 -3.20 112.91 111.09 1ir1 h THR 271 Ca -0.30 -2.58 -0.24 0.00 -0.55 0.00 0.00 66.41 62.74 1ir1 h THR 271 Cb 1.89 2.40 0.03 0.00 -1.73 0.00 0.00 68.15 70.74 1ir1 h THR 271 CO 0.12 0.74 -1.03 1.23 -0.25 0.00 0.00 175.52 176.33 1ir1 h GLY 272 N 2.10 0.47 0.00 5.82 0.00 -1.11 -3.51 103.07 106.85 1ir1 h GLY 272 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 46.17 1ir1 h GLY 272 CO 0.11 1.00 0.00 0.61 0.00 0.00 0.00 176.54 178.26 1ir1 n GLY 273 N 1.60 2.90 0.32 4.60 0.00 0.03 -4.66 105.19 109.99 1ir1 n GLY 273 Ca -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 1ir1 n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ir1 h PHE 274 N 0.00 0.94 -0.10 1.61 0.04 -1.88 -0.15 116.94 117.41 1ir1 h PHE 274 Ca 0.00 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 1ir1 h PHE 274 Cb 0.00 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 37.86 1ir1 h PHE 274 CO 0.00 0.75 0.06 1.15 -0.60 0.00 0.00 178.31 179.67 1ir1 h THR 275 N 0.90 1.08 -0.14 -1.55 2.02 -1.92 -0.30 112.91 113.00 1ir1 h THR 275 Ca 0.20 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1ir1 h THR 275 Cb 0.24 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1ir1 h THR 275 CO -0.01 0.07 -0.44 0.00 0.37 0.00 0.00 175.52 175.50 1ir1 h ALA 276 N 0.97 0.99 -0.47 6.16 0.00 -1.79 -2.87 119.26 122.25 1ir1 h ALA 276 Ca 0.04 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1ir1 h ALA 276 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ir1 h ALA 276 CO -0.01 0.63 -0.06 -0.97 0.00 0.00 0.00 179.25 178.85 1ir1 h ASN 277 N 0.27 0.87 -0.41 0.00 -1.24 -0.71 -2.07 115.58 112.30 1ir1 h ASN 277 Ca 0.02 -0.34 -0.05 0.00 0.71 0.00 0.00 56.30 56.65 1ir1 h ASN 277 Cb 0.89 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 1ir1 h ASN 277 CO 0.07 1.00 0.11 0.74 -1.29 0.00 0.00 177.43 178.06 1ir1 h THR 278 N 0.72 1.21 -0.41 -3.57 2.02 -1.00 0.13 112.91 112.00 1ir1 h THR 278 Ca 0.13 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1ir1 h THR 278 Cb 0.59 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1ir1 h THR 278 CO 0.04 0.28 0.19 0.74 0.37 0.00 0.00 175.52 177.13 1ir1 h THR 279 N 0.70 1.18 -0.46 3.16 2.02 -1.27 -1.93 112.91 116.32 1ir1 h THR 279 Ca 0.16 -0.53 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 1ir1 h THR 279 Cb 0.28 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1ir1 h THR 279 CO -0.00 0.20 -0.22 0.25 0.37 0.00 0.00 175.52 176.11 1ir1 h LEU 280 N 0.52 0.97 -0.68 2.58 5.85 -0.90 -1.97 115.31 121.68 1ir1 h LEU 280 Ca 0.14 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1ir1 h LEU 280 Cb 0.14 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1ir1 h LEU 280 CO -0.02 1.14 0.40 -1.28 -0.34 0.00 0.00 178.44 178.35 1ir1 h SER 281 N 0.81 0.62 -0.27 1.25 0.87 -0.56 0.52 113.55 116.79 1ir1 h SER 281 Ca 0.11 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 1ir1 h SER 281 Cb 0.79 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1ir1 h SER 281 CO 0.07 0.42 -0.32 0.45 -0.53 0.00 0.00 176.83 176.91 1ir1 h HIS 282 N 0.76 0.93 -0.52 2.24 3.86 -1.19 -2.37 115.15 118.86 1ir1 h HIS 282 Ca 0.29 -0.25 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1ir1 h HIS 282 Cb 0.11 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1ir1 h HIS 282 CO -0.06 1.01 0.17 -0.92 0.86 0.00 0.00 177.93 178.98 1ir1 h TYR 283 N 0.67 0.83 -0.63 2.45 3.20 -0.79 -2.17 116.97 120.53 1ir1 h TYR 283 Ca 0.07 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1ir1 h TYR 283 Cb 0.87 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1ir1 h TYR 283 CO 0.05 0.71 0.24 0.00 -1.64 0.00 0.00 178.16 177.52 1ir1 h ARG 285 N 0.91 0.56 0.00 0.00 9.65 -1.21 -0.88 114.38 123.40 1ir1 h ARG 285 Ca 0.21 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1ir1 h ARG 285 Cb 0.20 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1ir1 h ARG 285 CO -0.02 0.58 0.00 -0.25 2.80 0.00 0.00 179.97 183.08 1ir1 n ASP 286 N -4.64 0.31 -0.05 -3.80 8.00 -0.84 -3.61 116.55 111.93 1ir1 n ASP 286 Ca -0.01 0.55 0.02 0.00 0.71 0.00 0.00 54.79 56.06 1ir1 n ASP 286 Cb 0.17 -0.63 0.03 0.00 -0.02 0.00 0.00 41.12 40.68 1ir1 n ASP 286 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ir1 n ASN 287 N -1.82 1.57 -2.04 -2.24 3.02 -0.55 -5.03 115.26 108.18 1ir1 n ASN 287 Ca 0.05 -2.06 -0.17 0.00 -0.03 0.00 0.00 54.58 52.36 1ir1 n ASN 287 Cb 0.28 -0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1ir1 n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ir1 n GLY 288 N -0.58 -0.33 3.70 7.41 0.00 -0.43 -5.01 105.19 109.94 1ir1 n GLY 288 Ca 0.04 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1ir1 n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ir1 s LEU 289 N -5.02 4.01 0.49 0.99 1.43 -0.65 -4.96 118.68 114.97 1ir1 s LEU 289 Ca 0.04 0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 1ir1 s LEU 289 Cb -0.02 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 1ir1 s LEU 289 CO 0.05 0.21 1.07 -0.76 0.23 0.00 0.00 176.35 177.16 1ir1 s LEU 290 N 0.17 3.86 -0.24 1.79 1.43 -0.39 -4.59 118.68 120.71 1ir1 s LEU 290 Ca 0.06 2.04 0.01 0.00 -1.03 0.00 0.00 54.13 55.21 1ir1 s LEU 290 Cb -0.12 -4.51 0.06 0.00 0.03 0.00 0.00 46.19 41.66 1ir1 s LEU 290 CO -0.00 -0.89 -0.05 -0.22 0.23 0.00 0.00 176.35 175.42 1ir1 s LEU 291 N -3.45 2.60 -0.10 1.79 2.96 -1.26 -1.89 118.68 119.32 1ir1 s LEU 291 Ca 0.68 -1.19 -0.21 0.00 -0.22 0.00 0.00 54.13 53.19 1ir1 s LEU 291 Cb -0.20 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 1ir1 s LEU 291 CO 0.24 -0.23 0.60 -2.28 -1.32 0.00 0.00 176.35 173.36 1ir1 s HIS 292 N 1.39 3.53 -0.21 5.38 5.65 0.03 -0.35 115.29 130.70 1ir1 s HIS 292 Ca -0.06 1.07 -0.05 0.00 0.25 0.00 0.00 55.06 56.27 1ir1 s HIS 292 Cb -0.19 -2.70 -0.02 0.00 -1.18 0.00 0.00 32.58 28.49 1ir1 s HIS 292 CO -0.06 0.09 -0.01 0.42 -0.65 0.00 0.00 174.74 174.53 1ir1 s ILE 293 N 0.87 3.78 -0.14 0.89 -1.09 -0.63 -1.25 121.20 123.62 1ir1 s ILE 293 Ca 0.32 -0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 58.28 1ir1 s ILE 293 Cb -0.16 -2.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.95 1ir1 s ILE 293 CO 0.14 0.41 0.18 -2.28 -1.23 0.00 0.00 174.94 172.16 1ir1 s HIS 294 N 1.25 3.52 -0.35 3.97 5.65 -0.72 -3.23 115.29 125.38 1ir1 s HIS 294 Ca 0.03 0.51 0.02 0.00 0.25 0.00 0.00 55.06 55.87 1ir1 s HIS 294 Cb -0.15 -2.10 0.44 0.00 -1.18 0.00 0.00 32.58 29.59 1ir1 s HIS 294 CO 0.00 0.50 1.73 2.89 -0.65 0.00 0.00 174.74 179.21 1ir1 n ARG 295 N 2.73 1.94 -1.49 2.88 1.85 -1.26 -2.98 116.66 120.33 1ir1 n ARG 295 Ca -0.17 -2.15 -0.49 0.00 -1.00 0.00 0.00 57.85 54.03 1ir1 n ARG 295 Cb 0.53 -1.84 -0.04 0.00 -1.05 0.00 0.00 32.46 30.06 1ir1 n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ir1 n ALA 296 N -0.56 -2.00 -0.91 2.89 0.00 -1.26 -1.53 120.51 117.14 1ir1 n ALA 296 Ca 0.43 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1ir1 n ALA 296 Cb 1.18 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1ir1 n ALA 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ir1 n MET 297 N 1.21 -0.20 -0.06 0.00 0.00 -1.26 -4.22 117.12 112.60 1ir1 n MET 297 Ca 0.16 0.05 0.01 0.00 0.00 0.00 0.00 57.70 57.92 1ir1 n MET 297 Cb 0.23 -3.24 0.33 0.00 0.00 0.00 0.00 33.22 30.55 1ir1 n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 1ir1 h HIS 298 N 0.00 0.64 0.00 3.17 -0.00 -1.71 -2.40 115.15 114.86 1ir1 h HIS 298 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 1ir1 h HIS 298 Cb 0.10 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1ir1 h HIS 298 CO 0.06 0.48 -0.03 0.00 -0.00 0.00 0.00 177.93 178.44 1ir1 h ALA 299 N 1.59 1.03 0.00 6.11 0.00 -1.91 0.20 119.26 126.28 1ir1 h ALA 299 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ir1 h ALA 299 Cb 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ir1 h ALA 299 CO -0.02 0.04 -0.19 0.28 0.00 0.00 0.00 179.25 179.36 1ir1 h VAL 300 N 0.00 1.09 0.00 0.00 2.07 -1.85 -3.02 116.25 114.55 1ir1 h VAL 300 Ca -0.00 -0.66 -0.38 0.00 0.82 0.00 0.00 66.70 66.48 1ir1 h VAL 300 Cb 0.40 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 1ir1 h VAL 300 CO 0.00 0.19 -2.42 -0.38 0.02 0.00 0.00 177.57 174.98 1ir1 n ILE 301 N -4.25 1.43 -0.06 4.57 5.41 -0.54 -4.76 119.36 121.16 1ir1 n ILE 301 Ca -0.02 -0.59 0.08 0.00 1.00 0.00 0.00 62.75 63.22 1ir1 n ILE 301 Cb 0.25 -1.28 0.19 0.00 -0.71 0.00 0.00 39.64 38.09 1ir1 n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1ir1 n ASP 302 N -3.18 3.11 0.03 4.38 5.68 -0.05 -2.32 116.55 124.21 1ir1 n ASP 302 Ca -0.43 -1.93 -0.12 0.00 -0.50 0.00 0.00 54.79 51.81 1ir1 n ASP 302 Cb 0.99 -0.26 -0.09 0.00 -1.14 0.00 0.00 41.12 40.62 1ir1 n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ir1 h ARG 303 N 2.94 -0.14 -6.73 0.11 9.65 -1.77 -3.43 114.38 115.02 1ir1 h ARG 303 Ca 0.00 0.01 -0.50 0.00 -1.10 0.00 0.00 59.98 58.39 1ir1 h ARG 303 Cb 0.80 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 1ir1 h ARG 303 CO 0.00 0.34 0.38 -0.65 2.80 0.00 0.00 179.97 182.84 1ir1 s GLN 304 N -3.70 4.79 0.35 0.20 -1.52 -1.26 -3.39 119.66 115.13 1ir1 s GLN 304 Ca -0.14 1.54 0.13 0.00 -1.95 0.00 0.00 55.36 54.94 1ir1 s GLN 304 Cb 0.01 -3.28 0.65 0.00 -0.22 0.00 0.00 33.01 30.17 1ir1 s GLN 304 CO 0.56 0.40 1.78 -0.22 -0.25 0.00 0.00 175.29 177.57 1ir1 h LYS 305 N 4.37 0.00 0.00 2.91 3.64 -1.89 -3.27 116.57 122.33 1ir1 h LYS 305 Ca -0.45 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1ir1 h LYS 305 Cb 1.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1ir1 h LYS 305 CO 0.69 0.42 -0.89 -2.95 -2.27 0.00 0.00 179.45 174.45 1ir1 h ASN 306 N 0.00 0.00 -3.83 4.20 -1.07 -1.94 -3.47 115.58 109.47 1ir1 h ASN 306 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 1ir1 h ASN 306 Cb 0.75 0.00 -0.25 0.00 -2.07 0.00 0.00 38.32 36.75 1ir1 h ASN 306 CO 0.05 0.07 -0.36 -2.28 0.07 0.00 0.00 177.43 174.98 1ir1 s HIS 307 N -3.29 -0.34 -0.36 4.14 5.04 -1.23 -3.31 115.29 115.94 1ir1 s HIS 307 Ca 0.00 0.82 0.00 0.00 -1.54 0.00 0.00 55.06 54.34 1ir1 s HIS 307 Cb 0.09 0.11 0.00 0.00 0.04 0.00 0.00 32.58 32.82 1ir1 s HIS 307 CO 0.77 -0.16 0.00 0.41 -2.34 0.00 0.00 174.74 173.42 1ir1 n GLY 308 N 2.96 0.19 2.80 1.59 0.00 -0.58 -4.45 105.19 107.70 1ir1 n GLY 308 Ca -0.13 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 1ir1 n GLY 308 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ir1 s MET 309 N -0.47 -0.01 0.55 1.61 -1.94 -0.98 -1.40 119.30 116.66 1ir1 s MET 309 Ca 0.00 0.20 -0.19 0.00 -1.71 0.00 0.00 55.69 53.99 1ir1 s MET 309 Cb 0.00 -0.21 -0.05 0.00 2.01 0.00 0.00 34.83 36.58 1ir1 s MET 309 CO 0.00 -0.15 1.11 -1.58 -0.01 0.00 0.00 175.02 174.39 1ir1 s HIS 310 N 0.98 2.73 0.55 -0.03 2.46 -0.43 -3.54 115.29 118.01 1ir1 s HIS 310 Ca -0.08 1.55 0.23 0.00 0.47 0.00 0.00 55.06 57.23 1ir1 s HIS 310 Cb -0.11 -3.22 1.51 0.00 -0.13 0.00 0.00 32.58 30.62 1ir1 s HIS 310 CO -0.03 -1.45 2.15 0.35 -2.47 0.00 0.00 174.74 173.29 1ir1 h PHE 311 N 1.05 0.00 0.00 3.88 3.57 -1.92 -1.81 116.94 121.71 1ir1 h PHE 311 Ca -0.49 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1ir1 h PHE 311 Cb 1.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1ir1 h PHE 311 CO 0.53 0.00 -0.04 0.07 -2.23 0.00 0.00 178.31 176.63 1ir1 h ARG 312 N 0.00 0.00 -0.05 1.11 0.11 -1.91 0.22 114.38 113.87 1ir1 h ARG 312 Ca 0.05 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.89 1ir1 h ARG 312 Cb 0.22 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.32 1ir1 h ARG 312 CO -0.00 0.04 -0.92 0.28 0.10 0.00 0.00 179.97 179.48 1ir1 h VAL 313 N 0.00 1.29 -0.14 0.08 2.07 -1.57 -1.96 116.25 116.02 1ir1 h VAL 313 Ca -0.00 -2.14 -0.09 0.00 0.82 0.00 0.00 66.70 65.29 1ir1 h VAL 313 Cb 0.09 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1ir1 h VAL 313 CO 0.01 0.66 -0.31 -0.07 0.02 0.00 0.00 177.57 177.88 1ir1 h LEU 314 N 0.39 0.26 -0.16 2.57 3.38 -1.28 -1.78 115.31 118.69 1ir1 h LEU 314 Ca -0.10 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1ir1 h LEU 314 Cb 1.57 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 1ir1 h LEU 314 CO 0.18 0.57 -0.11 0.00 0.09 0.00 0.00 178.44 179.17 1ir1 h ALA 315 N 1.45 0.23 -0.77 1.53 0.00 -0.55 -2.08 119.26 119.07 1ir1 h ALA 315 Ca 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1ir1 h ALA 315 Cb 0.67 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1ir1 h ALA 315 CO 0.05 0.07 0.45 0.87 0.00 0.00 0.00 179.25 180.70 1ir1 h LYS 316 N 0.01 1.05 -0.91 0.00 1.57 -1.20 -1.83 116.57 115.27 1ir1 h LYS 316 Ca 0.03 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1ir1 h LYS 316 Cb 0.61 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 1ir1 h LYS 316 CO 0.03 0.75 0.58 0.00 -0.57 0.00 0.00 179.45 180.24 1ir1 h ALA 317 N 1.24 1.22 -0.42 3.86 0.00 -1.25 -2.38 119.26 121.52 1ir1 h ALA 317 Ca 0.27 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1ir1 h ALA 317 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1ir1 h ALA 317 CO -0.05 0.41 -0.14 1.25 0.00 0.00 0.00 179.25 180.73 1ir1 h LEU 318 N 1.11 0.84 -2.08 0.00 7.12 -0.79 -0.76 115.31 120.75 1ir1 h LEU 318 Ca 0.37 -0.38 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 1ir1 h LEU 318 Cb 0.06 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 39.96 1ir1 h LEU 318 CO -0.14 1.03 -0.01 -0.09 -0.13 0.00 0.00 178.44 179.09 1ir1 h ARG 319 N 0.64 0.00 0.01 1.25 2.43 -0.91 0.51 114.38 118.31 1ir1 h ARG 319 Ca 0.10 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1ir1 h ARG 319 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1ir1 h ARG 319 CO 0.05 0.01 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.45 1ir1 h LEU 320 N 0.00 -0.01 -0.49 3.80 3.38 -1.14 -3.29 115.31 117.56 1ir1 h LEU 320 Ca -0.00 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.47 1ir1 h LEU 320 Cb 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1ir1 h LEU 320 CO 0.00 0.76 0.24 -1.28 0.09 0.00 0.00 178.44 178.25 1ir1 h SER 321 N -1.00 0.33 0.00 -0.43 0.87 -0.92 -2.73 113.55 109.67 1ir1 h SER 321 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ir1 h SER 321 Cb 0.55 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1ir1 h SER 321 CO 0.00 0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.14 1ir1 n GLY 322 N -1.25 3.75 3.64 5.77 0.00 0.18 -4.49 105.19 112.79 1ir1 n GLY 322 Ca 0.04 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 1ir1 n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ir1 s GLY 323 N 0.00 0.15 0.08 -0.02 0.00 -1.25 -4.78 107.32 101.50 1ir1 s GLY 323 Ca 0.00 3.15 0.14 0.00 0.00 0.00 0.00 44.72 48.01 1ir1 s GLY 323 CO 0.00 1.82 0.94 -0.55 0.00 0.00 0.00 173.10 175.31 1ir1 h ASP 324 N 3.40 0.00 -4.15 1.64 3.32 -1.07 -3.41 116.42 116.15 1ir1 h ASP 324 Ca -0.26 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.46 1ir1 h ASP 324 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 1ir1 h ASP 324 CO 0.16 0.72 -0.72 -1.00 -1.72 0.00 0.00 179.24 176.68 1ir1 s HIS 325 N -2.83 1.19 -0.28 4.55 3.76 -1.04 -1.34 115.29 119.31 1ir1 s HIS 325 Ca -0.02 -0.71 -0.20 0.00 -0.15 0.00 0.00 55.06 53.99 1ir1 s HIS 325 Cb 0.08 -0.62 0.08 0.00 1.11 0.00 0.00 32.58 33.23 1ir1 s HIS 325 CO 0.80 0.05 0.72 -1.50 -0.85 0.00 0.00 174.74 173.96 1ir1 s ILE 326 N -2.88 0.00 0.31 0.60 2.07 -0.80 -1.61 121.20 118.89 1ir1 s ILE 326 Ca 0.11 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.07 1ir1 s ILE 326 Cb -0.00 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.49 1ir1 s ILE 326 CO 0.00 0.00 1.36 -1.00 -1.91 0.00 0.00 174.94 173.39 1ir1 s HIS 327 N 1.09 2.99 0.00 3.50 3.76 -1.20 -0.77 115.29 124.66 1ir1 s HIS 327 Ca -0.06 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 1ir1 s HIS 327 Cb -0.05 -3.75 0.00 0.00 1.11 0.00 0.00 32.58 29.89 1ir1 s HIS 327 CO -0.11 -2.17 0.22 -1.13 -0.85 0.00 0.00 174.74 170.70 1ir1 n SER 328 N 1.15 0.44 0.00 1.40 3.41 -0.30 -4.74 113.62 114.98 1ir1 n SER 328 Ca 0.02 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1ir1 n SER 328 Cb 0.41 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 1ir1 n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ir1 n GLY 329 N 0.46 1.37 0.00 5.00 0.00 -1.24 -4.92 105.19 105.86 1ir1 n GLY 329 Ca 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 46.02 44.03 1ir1 n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ir1 n THR 330 N 2.00 0.05 0.00 2.61 -2.24 -1.26 -4.31 114.28 111.12 1ir1 n THR 330 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1ir1 n THR 330 Cb 0.00 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1ir1 n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ir1 n VAL 331 N -1.73 0.00 1.09 2.28 0.31 -1.26 -4.42 118.33 114.60 1ir1 n VAL 331 Ca -0.01 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.43 1ir1 n VAL 331 Cb 0.21 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.27 1ir1 n VAL 331 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1ir1 n VAL 332 N 0.00 0.00 -0.28 2.52 0.24 -1.26 -4.62 118.33 114.93 1ir1 n VAL 332 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1ir1 n VAL 332 Cb 0.00 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 1ir1 n VAL 332 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ir1 n GLY 333 N 1.41 -0.59 0.12 7.63 0.00 -1.26 -4.23 105.19 108.26 1ir1 n GLY 333 Ca 0.09 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.57 1ir1 n GLY 333 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ir1 n LYS 334 N -0.12 0.24 -4.30 1.61 2.85 -0.76 -4.70 118.16 112.99 1ir1 n LYS 334 Ca 0.00 0.32 -0.32 0.00 -1.05 0.00 0.00 58.31 57.26 1ir1 n LYS 334 Cb 0.00 -1.85 -0.09 0.00 -0.65 0.00 0.00 35.03 32.43 1ir1 n LYS 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ir1 s LEU 335 N -4.59 3.40 0.44 -5.58 1.43 -1.26 -5.04 118.68 107.48 1ir1 s LEU 335 Ca 0.08 -0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.84 1ir1 s LEU 335 Cb 0.11 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 1ir1 s LEU 335 CO 0.51 0.26 1.36 -0.70 0.23 0.00 0.00 176.35 178.00 1ir1 s GLU 336 N -1.68 3.74 0.00 1.70 2.12 -1.26 -4.56 118.70 118.76 1ir1 s GLU 336 Ca 0.20 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.79 1ir1 s GLU 336 Cb -0.11 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 31.64 1ir1 s GLU 336 CO 0.11 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 1ir1 n GLY 337 N 0.62 0.47 3.78 -1.50 0.00 -1.26 -4.86 105.19 102.44 1ir1 n GLY 337 Ca 0.05 0.66 -0.39 0.00 0.00 0.00 0.00 46.02 46.34 1ir1 n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ir1 s GLU 338 N 0.00 4.50 0.10 1.61 0.41 -1.26 -4.13 118.70 119.93 1ir1 s GLU 338 Ca 0.00 1.09 -0.34 0.00 -0.41 0.00 0.00 54.97 55.31 1ir1 s GLU 338 Cb 0.00 -3.20 -0.14 0.00 -1.78 0.00 0.00 34.13 29.00 1ir1 s GLU 338 CO 0.00 0.55 1.57 -0.09 -0.49 0.00 0.00 175.26 176.80 1ir1 h ARG 339 N 4.20 -0.80 -0.54 1.61 2.43 -1.98 0.19 114.38 119.49 1ir1 h ARG 339 Ca -0.47 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1ir1 h ARG 339 Cb 1.20 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 1ir1 h ARG 339 CO 0.66 -0.53 0.34 -0.44 -1.51 0.00 0.00 179.97 178.48 1ir1 h ASP 340 N -0.83 0.64 -0.68 -3.80 3.32 -1.95 0.28 116.42 113.39 1ir1 h ASP 340 Ca -0.02 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1ir1 h ASP 340 Cb 0.78 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1ir1 h ASP 340 CO -0.19 0.49 0.28 0.40 -1.72 0.00 0.00 179.24 178.50 1ir1 h ILE 341 N 0.73 1.24 -0.29 0.35 2.04 -1.76 -1.60 117.51 118.22 1ir1 h ILE 341 Ca 0.20 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1ir1 h ILE 341 Cb -0.04 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1ir1 h ILE 341 CO -0.04 0.30 0.08 0.74 0.00 0.00 0.00 178.15 179.23 1ir1 h THR 342 N 0.97 1.21 -0.52 -0.27 2.02 -0.58 -2.14 112.91 113.59 1ir1 h THR 342 Ca 0.23 -0.68 0.06 0.00 0.77 0.00 0.00 66.41 66.79 1ir1 h THR 342 Cb 0.20 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1ir1 h THR 342 CO -0.02 0.22 0.35 -0.07 0.37 0.00 0.00 175.52 176.37 1ir1 h LEU 343 N 0.30 0.41 0.32 2.58 4.07 -0.76 -1.47 115.31 120.77 1ir1 h LEU 343 Ca 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1ir1 h LEU 343 Cb 0.27 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1ir1 h LEU 343 CO -0.00 0.27 -0.16 1.23 -1.08 0.00 0.00 178.44 178.70 1ir1 h GLY 344 N 0.47 -0.45 2.00 0.83 0.00 -0.66 -2.72 103.07 102.54 1ir1 h GLY 344 Ca 0.23 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1ir1 h GLY 344 CO -0.06 -0.16 0.00 1.97 0.00 0.00 0.00 176.54 178.29 1ir1 n PHE 345 N -5.20 0.72 -0.09 5.60 1.16 -0.96 -2.55 117.46 116.14 1ir1 n PHE 345 Ca -0.10 0.22 -0.13 0.00 -1.87 0.00 0.00 57.45 55.57 1ir1 n PHE 345 Cb 0.24 -0.87 -0.02 0.00 -1.61 0.00 0.00 39.48 37.23 1ir1 n PHE 345 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1ir1 h VAL 346 N 0.00 1.28 -0.48 1.97 2.07 -1.21 -1.70 116.25 118.17 1ir1 h VAL 346 Ca 0.00 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.78 1ir1 h VAL 346 Cb 0.60 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1ir1 h VAL 346 CO 0.00 0.54 -0.08 0.44 0.02 0.00 0.00 177.57 178.50 1ir1 h ASP 347 N 0.70 0.83 0.47 0.57 3.32 -1.29 -1.45 116.42 119.57 1ir1 h ASP 347 Ca 0.04 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1ir1 h ASP 347 Cb 1.06 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1ir1 h ASP 347 CO 0.11 0.94 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.40 1ir1 h LEU 348 N 0.77 0.00 0.06 1.55 3.38 -1.24 -0.79 115.31 119.05 1ir1 h LEU 348 Ca 0.13 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.80 1ir1 h LEU 348 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1ir1 h LEU 348 CO 0.03 0.10 -1.69 -0.07 0.09 0.00 0.00 178.44 176.91 1ir1 h LEU 349 N 0.00 0.20 0.01 1.67 3.38 -0.68 -3.42 115.31 116.47 1ir1 h LEU 349 Ca -0.00 -0.36 -0.38 0.00 0.09 0.00 0.00 57.88 57.22 1ir1 h LEU 349 Cb 0.36 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1ir1 h LEU 349 CO 0.01 1.32 -2.42 0.54 0.09 0.00 0.00 178.44 177.98 1ir1 n ARG 350 N -3.27 0.66 -1.97 1.13 1.74 -0.61 -0.90 116.66 113.45 1ir1 n ARG 350 Ca -0.19 0.15 -0.29 0.00 -0.77 0.00 0.00 57.85 56.74 1ir1 n ARG 350 Cb 1.04 -1.54 0.06 0.00 -1.02 0.00 0.00 32.46 31.00 1ir1 n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ir1 s ASP 351 N -6.46 5.16 0.12 0.55 1.01 -0.32 -4.38 116.67 112.36 1ir1 s ASP 351 Ca -0.31 0.94 0.23 0.00 0.71 0.00 0.00 52.55 54.12 1ir1 s ASP 351 Cb 0.08 -1.67 0.02 0.00 1.01 0.00 0.00 42.92 42.37 1ir1 s ASP 351 CO 0.64 -1.48 1.01 -0.67 0.21 0.00 0.00 175.17 174.87 1ir1 n ASP 352 N -3.04 0.66 -3.70 0.27 2.03 -1.26 -4.82 116.55 106.68 1ir1 n ASP 352 Ca 0.07 0.12 -0.11 0.00 0.52 0.00 0.00 54.79 55.39 1ir1 n ASP 352 Cb 0.58 0.70 -0.11 0.00 -0.72 0.00 0.00 41.12 41.57 1ir1 n ASP 352 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1ir1 s TYR 353 N -3.31 -0.57 -0.06 -0.67 5.04 -1.26 -1.08 117.35 115.44 1ir1 s TYR 353 Ca 0.01 1.23 -0.01 0.00 -2.44 0.00 0.00 57.07 55.86 1ir1 s TYR 353 Cb 0.12 0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.70 1ir1 s TYR 353 CO 0.80 -0.32 0.02 0.99 -1.34 0.00 0.00 175.55 175.69 1ir1 s THR 354 N 1.28 0.21 0.39 4.34 2.01 -0.58 -5.01 115.64 118.28 1ir1 s THR 354 Ca -0.09 0.21 -0.17 0.00 0.31 0.00 0.00 61.69 61.96 1ir1 s THR 354 Cb -0.08 -0.39 -0.09 0.00 0.01 0.00 0.00 72.50 71.95 1ir1 s THR 354 CO -0.11 0.23 0.85 -1.61 -0.69 0.00 0.00 174.62 173.28 1ir1 s GLU 355 N 1.94 4.05 0.18 4.92 2.02 -1.26 -0.82 118.70 129.73 1ir1 s GLU 355 Ca 0.04 0.84 -0.32 0.00 0.02 0.00 0.00 54.97 55.55 1ir1 s GLU 355 Cb -0.12 -2.30 -0.16 0.00 0.10 0.00 0.00 34.13 31.65 1ir1 s GLU 355 CO -0.04 0.01 1.03 1.17 0.02 0.00 0.00 175.26 177.45 1ir1 n LYS 356 N -0.73 0.91 -3.18 1.61 4.81 -1.26 -4.82 118.16 115.51 1ir1 n LYS 356 Ca 0.05 0.32 0.02 0.00 -0.87 0.00 0.00 58.31 57.83 1ir1 n LYS 356 Cb 0.54 -1.72 -0.01 0.00 0.02 0.00 0.00 35.03 33.86 1ir1 n LYS 356 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1ir1 s ASP 357 N -0.25 -1.50 0.58 3.14 -1.08 -0.14 -4.98 116.67 112.44 1ir1 s ASP 357 Ca 0.71 -0.55 0.39 0.00 -0.52 0.00 0.00 52.55 52.57 1ir1 s ASP 357 Cb -0.88 1.92 1.97 0.00 -1.46 0.00 0.00 42.92 44.47 1ir1 s ASP 357 CO 0.55 -0.19 2.17 0.03 0.52 0.00 0.00 175.17 178.25 1ir1 h ARG 358 N 7.15 0.00 0.00 4.34 2.47 -1.93 -1.42 114.38 124.99 1ir1 h ARG 358 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1ir1 h ARG 358 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1ir1 h ARG 358 CO 0.10 0.00 0.00 0.66 0.56 0.00 0.00 179.97 181.29 1ir1 h SER 359 N 0.00 0.00 -0.13 7.04 4.64 -1.96 -2.76 113.55 120.38 1ir1 h SER 359 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ir1 h SER 359 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1ir1 h SER 359 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1ir1 n ARG 360 N -2.38 2.71 -1.04 4.77 1.74 -0.65 -4.80 116.66 117.00 1ir1 n ARG 360 Ca 0.03 -1.96 -0.02 0.00 -0.77 0.00 0.00 57.85 55.14 1ir1 n ARG 360 Cb 0.32 -1.24 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 1ir1 n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ir1 n GLY 361 N -0.33 0.52 3.44 -0.13 0.00 -1.04 -4.45 105.19 103.19 1ir1 n GLY 361 Ca 0.08 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 1ir1 n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ir1 s ILE 362 N -1.96 4.87 -0.24 -0.61 1.01 -0.63 -4.92 121.20 118.72 1ir1 s ILE 362 Ca 0.00 -0.56 0.18 0.00 0.00 0.00 0.00 60.65 60.27 1ir1 s ILE 362 Cb 0.00 -4.32 0.14 0.00 0.01 0.00 0.00 42.46 38.29 1ir1 s ILE 362 CO 0.00 -0.85 1.47 1.88 0.00 0.00 0.00 174.94 177.44 1ir1 h TYR 363 N 9.02 0.00 -3.91 3.97 -1.99 -1.94 -0.34 116.97 121.79 1ir1 h TYR 363 Ca -0.28 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.14 1ir1 h TYR 363 Cb 1.09 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 39.62 1ir1 h TYR 363 CO 0.76 0.35 -0.74 -0.06 -0.00 0.00 0.00 178.16 178.46 1ir1 s PHE 364 N -3.04 0.89 0.17 4.88 0.08 -1.26 -4.87 117.98 114.83 1ir1 s PHE 364 Ca 0.05 -0.54 -0.30 0.00 0.12 0.00 0.00 56.93 56.26 1ir1 s PHE 364 Cb 0.07 -0.51 -0.07 0.00 -0.57 0.00 0.00 43.02 41.93 1ir1 s PHE 364 CO 0.73 -0.04 1.07 0.99 -0.10 0.00 0.00 175.22 177.87 1ir1 s THR 365 N -1.67 3.96 -0.08 0.64 2.01 -1.26 -4.14 115.64 115.09 1ir1 s THR 365 Ca -0.04 1.70 0.02 0.00 0.31 0.00 0.00 61.69 63.68 1ir1 s THR 365 Cb -0.08 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.36 1ir1 s THR 365 CO 0.01 0.30 -0.14 -1.58 -0.69 0.00 0.00 174.62 172.51 1ir1 s GLN 366 N -0.37 1.95 0.03 4.92 2.00 0.00 -4.91 119.66 123.28 1ir1 s GLN 366 Ca 0.49 -0.48 0.05 0.00 -2.00 0.00 0.00 55.36 53.41 1ir1 s GLN 366 Cb -0.28 -1.63 -0.03 0.00 0.80 0.00 0.00 33.01 31.87 1ir1 s GLN 366 CO 0.34 -0.00 -0.11 -1.12 -0.50 0.00 0.00 175.29 173.90 1ir1 s SER 367 N 0.80 4.32 0.00 6.67 0.01 -1.26 -1.53 113.70 122.71 1ir1 s SER 367 Ca -0.12 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 56.91 1ir1 s SER 367 Cb -0.16 -0.89 0.06 0.00 0.21 0.00 0.00 66.02 65.24 1ir1 s SER 367 CO 0.02 0.26 0.77 0.79 0.41 0.00 0.00 173.24 175.48 1ir1 n TRP 368 N 1.41 0.05 -3.98 2.43 7.02 -0.24 -4.70 117.44 119.43 1ir1 n TRP 368 Ca -0.15 -0.15 -0.33 0.00 -1.02 0.00 0.00 57.50 55.85 1ir1 n TRP 368 Cb 0.52 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.39 1ir1 n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1ir1 n VAL 369 N 0.13 -1.60 -1.59 -0.99 0.24 -1.26 -0.72 118.33 112.54 1ir1 n VAL 369 Ca 0.03 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.34 61.76 1ir1 n VAL 369 Cb 0.17 -1.40 -0.05 0.00 -1.47 0.00 0.00 33.84 31.09 1ir1 n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ir1 n SER 370 N -1.68 -4.53 -4.74 -1.34 7.64 -1.26 -4.99 113.62 102.72 1ir1 n SER 370 Ca -0.14 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.58 1ir1 n SER 370 Cb 0.47 -3.34 -0.03 0.00 -1.01 0.00 0.00 64.21 60.30 1ir1 n SER 370 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ir1 s THR 371 N -2.54 3.32 0.63 0.44 2.01 0.10 -4.94 115.64 114.66 1ir1 s THR 371 Ca 0.00 1.11 -0.18 0.00 0.31 0.00 0.00 61.69 62.93 1ir1 s THR 371 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1ir1 s THR 371 CO 0.00 0.17 0.98 -2.65 -0.69 0.00 0.00 174.62 172.43 1ir1 n PRO 372 N 2.50 0.83 -2.09 4.92 -0.02 -1.26 -4.92 135.00 134.95 1ir1 n PRO 372 Ca 0.05 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 1ir1 n PRO 372 Cb 0.43 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.72 1ir1 n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ir1 s GLY 373 N -1.33 1.62 -0.08 -1.23 0.00 -1.26 -4.66 107.32 100.37 1ir1 s GLY 373 Ca 0.77 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 45.29 1ir1 s GLY 373 CO 0.46 0.03 -0.11 0.14 0.00 0.00 0.00 173.10 173.62 1ir1 s VAL 374 N -3.05 3.30 -0.13 1.40 1.01 -0.08 -2.39 120.40 120.47 1ir1 s VAL 374 Ca 0.53 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 1ir1 s VAL 374 Cb -0.11 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1ir1 s VAL 374 CO 0.51 0.57 1.19 -0.76 0.00 0.00 0.00 175.10 176.62 1ir1 s LEU 375 N -0.42 4.21 0.33 3.92 1.43 -0.45 -4.27 118.68 123.44 1ir1 s LEU 375 Ca 0.05 1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 54.58 1ir1 s LEU 375 Cb -0.12 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 1ir1 s LEU 375 CO 0.02 -0.66 0.98 -2.16 0.23 0.00 0.00 176.35 174.76 1ir1 s PRO 376 N 2.88 4.50 -0.21 1.29 0.04 -1.26 -1.91 135.00 140.33 1ir1 s PRO 376 Ca 0.53 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1ir1 s PRO 376 Cb -0.22 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.55 1ir1 s PRO 376 CO 0.16 0.19 -0.14 0.08 0.04 0.00 0.00 177.00 177.33 1ir1 s VAL 377 N -1.57 2.40 -0.25 -0.36 1.01 0.05 -1.56 120.40 120.11 1ir1 s VAL 377 Ca 0.51 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 1ir1 s VAL 377 Cb -0.21 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1ir1 s VAL 377 CO 0.26 0.39 0.40 0.00 0.00 0.00 0.00 175.10 176.15 1ir1 s ALA 378 N 1.30 3.57 -0.04 5.51 0.00 0.44 -1.15 121.76 131.38 1ir1 s ALA 378 Ca 0.03 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 51.06 1ir1 s ALA 378 Cb -0.15 -2.71 0.04 0.00 0.00 0.00 0.00 23.12 20.31 1ir1 s ALA 378 CO -0.09 -0.57 0.47 0.45 0.00 0.00 0.00 175.76 176.02 1ir1 s SER 379 N 1.46 -0.41 0.00 0.00 0.15 -1.26 -0.98 113.70 112.67 1ir1 s SER 379 Ca 0.17 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1ir1 s SER 379 Cb -0.15 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1ir1 s SER 379 CO 0.09 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1ir1 n GLY 380 N 1.26 1.67 2.29 9.45 0.00 -1.26 -4.59 105.19 114.01 1ir1 n GLY 380 Ca -0.20 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1ir1 n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ir1 n GLY 381 N 0.41 0.17 3.72 -0.02 0.00 -1.26 -1.82 105.19 106.38 1ir1 n GLY 381 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1ir1 n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ir1 s ILE 382 N -2.64 4.05 0.34 -0.61 -4.36 -1.26 -4.14 121.20 112.58 1ir1 s ILE 382 Ca 0.00 -1.22 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 1ir1 s ILE 382 Cb 0.00 -3.03 -0.01 0.00 1.25 0.00 0.00 42.46 40.67 1ir1 s ILE 382 CO 0.00 -0.07 0.39 -1.38 0.24 0.00 0.00 174.94 174.12 1ir1 s HIS 383 N -1.67 1.37 0.33 1.37 -3.43 -1.26 -4.37 115.29 107.63 1ir1 s HIS 383 Ca 0.28 -1.46 0.12 0.00 -0.80 0.00 0.00 55.06 53.20 1ir1 s HIS 383 Cb -0.10 -0.36 1.02 0.00 -1.43 0.00 0.00 32.58 31.71 1ir1 s HIS 383 CO 0.20 -1.02 1.65 -0.39 -2.00 0.00 0.00 174.74 173.18 1ir1 h VAL 384 N 2.13 0.28 0.00 -5.38 -1.51 -1.93 0.54 116.25 110.38 1ir1 h VAL 384 Ca -0.27 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1ir1 h VAL 384 Cb 1.24 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1ir1 h VAL 384 CO 0.38 0.05 0.00 -0.50 -1.23 0.00 0.00 177.57 176.27 1ir1 h TRP 385 N 0.28 0.00 0.00 5.19 4.06 -1.95 -2.35 115.95 121.17 1ir1 h TRP 385 Ca 0.70 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.65 1ir1 h TRP 385 Cb 1.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.74 1ir1 h TRP 385 CO -0.07 0.00 -0.51 0.45 -3.56 0.00 0.00 178.44 174.74 1ir1 h HIS 386 N 0.00 0.00 -0.81 0.49 3.86 -1.29 -3.40 115.15 113.99 1ir1 h HIS 386 Ca 0.00 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.40 1ir1 h HIS 386 Cb 0.28 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.60 1ir1 h HIS 386 CO 0.00 0.00 -0.03 1.98 0.86 0.00 0.00 177.93 180.74 1ir1 h MET 387 N 0.00 0.07 -0.82 2.45 -1.53 -1.46 -1.09 114.93 112.54 1ir1 h MET 387 Ca 0.00 -0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 1ir1 h MET 387 Cb 0.80 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.79 1ir1 h MET 387 CO 0.00 0.04 0.37 -1.35 0.14 0.00 0.00 176.91 176.11 1ir1 h PRO 388 N 0.07 1.20 -0.33 0.39 0.11 -1.81 -1.05 132.00 130.58 1ir1 h PRO 388 Ca 0.44 -0.19 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 1ir1 h PRO 388 Cb 0.78 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1ir1 h PRO 388 CO -0.74 0.94 -0.14 0.00 -0.21 0.00 0.00 178.00 177.85 1ir1 h ALA 389 N 1.21 0.46 -0.60 -0.75 0.00 -1.61 -1.57 119.26 116.41 1ir1 h ALA 389 Ca 0.28 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ir1 h ALA 389 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ir1 h ALA 389 CO -0.03 0.35 0.28 -0.07 0.00 0.00 0.00 179.25 179.78 1ir1 h LEU 390 N 0.44 0.79 -0.57 0.00 3.38 -1.09 -0.13 115.31 118.14 1ir1 h LEU 390 Ca 0.07 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1ir1 h LEU 390 Cb 0.67 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1ir1 h LEU 390 CO 0.05 0.70 0.11 0.74 0.09 0.00 0.00 178.44 180.13 1ir1 h THR 391 N 0.82 1.25 -0.38 0.22 2.02 -1.14 -1.45 112.91 114.24 1ir1 h THR 391 Ca 0.20 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 1ir1 h THR 391 Cb 0.13 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1ir1 h THR 391 CO -0.02 0.35 0.09 -0.08 0.37 0.00 0.00 175.52 176.22 1ir1 h GLU 392 N 0.83 0.62 0.09 6.66 4.22 -1.02 0.51 114.58 126.48 1ir1 h GLU 392 Ca 0.17 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.46 1ir1 h GLU 392 Cb 0.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ir1 h GLU 392 CO 0.01 0.65 -0.04 0.82 -2.18 0.00 0.00 179.01 178.26 1ir1 h ILE 393 N 0.47 1.13 0.00 2.32 2.04 -0.89 -3.37 117.51 119.22 1ir1 h ILE 393 Ca 0.12 -0.86 -0.22 0.00 1.00 0.00 0.00 64.86 64.90 1ir1 h ILE 393 Cb 0.31 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1ir1 h ILE 393 CO 0.00 0.21 -1.60 0.49 0.00 0.00 0.00 178.15 177.25 1ir1 n PHE 394 N -4.96 0.89 -4.20 1.37 3.72 -0.56 -5.01 117.46 108.71 1ir1 n PHE 394 Ca -0.08 0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1ir1 n PHE 394 Cb 0.23 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.67 1ir1 n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ir1 n GLY 395 N 1.47 -1.87 0.27 1.37 0.00 0.17 -4.33 105.19 102.26 1ir1 n GLY 395 Ca -0.14 -1.34 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 1ir1 n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ir1 h ASP 396 N 0.00 0.79 -0.75 1.61 3.32 -1.90 -3.37 116.42 116.12 1ir1 h ASP 396 Ca 0.00 -0.04 -0.69 0.00 0.02 0.00 0.00 57.03 56.33 1ir1 h ASP 396 Cb 0.00 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.28 1ir1 h ASP 396 CO 0.00 0.59 2.34 0.47 -1.72 0.00 0.00 179.24 180.92 1ir1 n ASP 397 N -4.59 4.79 -3.69 6.45 8.00 -1.26 -3.01 116.55 123.24 1ir1 n ASP 397 Ca 0.06 -2.91 -0.05 0.00 0.71 0.00 0.00 54.79 52.60 1ir1 n ASP 397 Cb 0.03 -1.73 -0.01 0.00 -0.02 0.00 0.00 41.12 39.39 1ir1 n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ir1 s SER 398 N 4.05 -0.17 -0.09 -2.24 1.04 -1.26 -4.30 113.70 110.73 1ir1 s SER 398 Ca 0.53 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.43 1ir1 s SER 398 Cb 0.05 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.77 1ir1 s SER 398 CO 0.05 -1.08 -0.10 -0.69 0.98 0.00 0.00 173.24 172.40 1ir1 s VAL 399 N -3.28 1.12 -0.24 5.02 1.01 -0.60 -0.83 120.40 122.59 1ir1 s VAL 399 Ca 0.13 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1ir1 s VAL 399 Cb -0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1ir1 s VAL 399 CO 0.04 0.37 0.07 -0.76 0.00 0.00 0.00 175.10 174.83 1ir1 s LEU 400 N 1.22 3.49 -0.09 3.92 1.02 0.02 -0.42 118.68 127.84 1ir1 s LEU 400 Ca -0.04 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 53.95 1ir1 s LEU 400 Cb -0.14 -1.93 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 1ir1 s LEU 400 CO -0.03 -0.02 -0.12 -1.10 0.02 0.00 0.00 176.35 175.11 1ir1 s GLN 401 N 1.51 2.96 -0.29 1.70 -0.21 -0.15 -0.58 119.66 124.61 1ir1 s GLN 401 Ca 0.06 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 54.79 1ir1 s GLN 401 Cb -0.15 -2.55 0.09 0.00 1.00 0.00 0.00 33.01 31.40 1ir1 s GLN 401 CO 0.04 0.45 0.05 -0.06 -2.12 0.00 0.00 175.29 173.65 1ir1 s PHE 402 N -0.26 2.16 0.00 0.91 0.40 -0.43 -4.23 117.98 116.54 1ir1 s PHE 402 Ca 0.02 -1.89 0.00 0.00 -0.60 0.00 0.00 56.93 54.46 1ir1 s PHE 402 Cb -0.13 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.55 1ir1 s PHE 402 CO 0.03 -0.84 0.00 0.41 0.70 0.00 0.00 175.22 175.51 1ir1 n GLY 403 N 4.72 0.66 0.26 4.36 0.00 -1.26 -3.55 105.19 110.38 1ir1 n GLY 403 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1ir1 n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ir1 h GLY 404 N 0.00 0.00 1.48 -0.02 0.00 -1.92 -0.38 103.07 102.23 1ir1 h GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ir1 h GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ir1 n GLY 405 N -1.52 -0.65 0.99 4.60 0.00 -1.26 -1.04 105.19 106.31 1ir1 n GLY 405 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 1ir1 n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ir1 n THR 406 N -1.24 0.60 1.25 2.61 -1.04 -0.26 -4.69 114.28 111.51 1ir1 n THR 406 Ca 0.06 0.17 0.11 0.00 -2.04 0.00 0.00 64.05 62.36 1ir1 n THR 406 Cb 0.09 -1.56 0.61 0.00 -1.82 0.00 0.00 70.33 67.65 1ir1 n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ir1 n LEU 407 N -3.27 0.00 -0.90 -4.42 4.32 -0.56 -2.32 117.00 109.85 1ir1 n LEU 407 Ca -0.01 0.10 0.09 0.00 -0.02 0.00 0.00 56.01 56.17 1ir1 n LEU 407 Cb 0.29 -0.10 0.16 0.00 -1.62 0.00 0.00 43.42 42.15 1ir1 n LEU 407 CO 0.00 -0.03 0.62 0.61 -1.22 0.00 0.00 177.39 177.38 1ir1 n GLY 408 N 0.43 1.41 3.76 -0.72 0.00 -0.21 -4.89 105.19 104.98 1ir1 n GLY 408 Ca 0.14 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1ir1 n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ir1 s HIS 409 N -1.32 3.26 0.62 1.61 5.04 -0.98 -4.92 115.29 118.61 1ir1 s HIS 409 Ca 0.30 1.48 0.43 0.00 -1.54 0.00 0.00 55.06 55.73 1ir1 s HIS 409 Cb 0.18 -3.53 2.33 0.00 0.04 0.00 0.00 32.58 31.59 1ir1 s HIS 409 CO 0.25 -1.41 2.34 -1.00 -2.34 0.00 0.00 174.74 172.58 1ir1 h PRO 410 N 3.87 0.00 -0.18 2.88 0.13 -1.91 -2.75 132.00 134.05 1ir1 h PRO 410 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ir1 h PRO 410 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ir1 h PRO 410 CO 0.68 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.36 1ir1 n TRP 411 N -3.13 0.22 0.00 1.56 8.01 -1.26 -5.09 117.44 117.74 1ir1 n TRP 411 Ca -0.03 -0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.03 1ir1 n TRP 411 Cb 0.09 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 1ir1 n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ir1 n GLY 412 N 1.18 0.62 0.09 6.99 0.00 -1.04 -4.66 105.19 108.37 1ir1 n GLY 412 Ca 0.14 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 1ir1 n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ir1 h ASN 413 N 0.00 0.18 0.09 1.61 4.21 -1.87 -1.58 115.58 118.21 1ir1 h ASN 413 Ca 0.00 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.43 1ir1 h ASN 413 Cb 0.00 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 1ir1 h ASN 413 CO 0.00 0.21 -0.07 0.00 -1.29 0.00 0.00 177.43 176.28 1ir1 h ALA 414 N 0.97 -0.15 -0.18 -0.83 0.00 -1.84 -0.66 119.26 116.57 1ir1 h ALA 414 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ir1 h ALA 414 Cb 0.07 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ir1 h ALA 414 CO -0.01 -0.59 -0.09 -1.35 0.00 0.00 0.00 179.25 177.20 1ir1 h PRO 415 N -0.17 0.28 -0.48 0.00 0.11 -1.82 -1.76 132.00 128.16 1ir1 h PRO 415 Ca -0.00 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1ir1 h PRO 415 Cb 0.15 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1ir1 h PRO 415 CO -0.01 0.39 -0.09 0.78 -0.21 0.00 0.00 178.00 178.87 1ir1 h GLY 416 N 0.73 0.94 1.09 -0.55 0.00 -0.87 -2.11 103.07 102.29 1ir1 h GLY 416 Ca 0.06 -0.71 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 1ir1 h GLY 416 CO 0.02 0.65 -0.21 0.00 0.00 0.00 0.00 176.54 177.00 1ir1 h ALA 417 N 1.11 0.65 -0.57 3.60 0.00 -0.60 -2.85 119.26 120.60 1ir1 h ALA 417 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ir1 h ALA 417 Cb 0.59 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ir1 h ALA 417 CO 0.04 0.63 0.37 0.28 0.00 0.00 0.00 179.25 180.56 1ir1 h VAL 418 N 0.80 1.15 -0.71 0.00 2.07 -1.14 -0.23 116.25 118.19 1ir1 h VAL 418 Ca 0.10 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1ir1 h VAL 418 Cb 0.78 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1ir1 h VAL 418 CO 0.06 0.15 0.42 0.00 0.02 0.00 0.00 177.57 178.23 1ir1 h ALA 419 N 1.20 0.94 -0.20 1.67 0.00 -1.30 0.16 119.26 121.74 1ir1 h ALA 419 Ca 0.21 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1ir1 h ALA 419 Cb -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ir1 h ALA 419 CO -0.04 0.15 -0.21 -0.91 0.00 0.00 0.00 179.25 178.24 1ir1 h ASN 420 N 0.80 0.52 -0.58 0.00 2.35 -1.22 -1.60 115.58 115.84 1ir1 h ASN 420 Ca 0.30 -0.48 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1ir1 h ASN 420 Cb 0.12 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 1ir1 h ASN 420 CO -0.15 0.90 0.24 -0.09 -1.65 0.00 0.00 177.43 176.68 1ir1 h ARG 421 N 0.15 0.86 -0.11 0.81 9.65 -0.72 -1.63 114.38 123.39 1ir1 h ARG 421 Ca 0.03 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1ir1 h ARG 421 Cb 0.76 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1ir1 h ARG 421 CO 0.05 0.73 0.03 0.28 2.80 0.00 0.00 179.97 183.87 1ir1 h VAL 422 N 0.80 1.18 -0.68 0.20 2.07 -0.70 -1.65 116.25 117.45 1ir1 h VAL 422 Ca 0.19 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1ir1 h VAL 422 Cb 0.19 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1ir1 h VAL 422 CO -0.02 0.16 0.37 0.00 0.02 0.00 0.00 177.57 178.10 1ir1 h ALA 423 N 0.84 0.92 0.16 1.67 0.00 -1.18 0.32 119.26 122.00 1ir1 h ALA 423 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ir1 h ALA 423 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ir1 h ALA 423 CO -0.00 0.04 -0.08 1.25 0.00 0.00 0.00 179.25 180.46 1ir1 h LEU 424 N 0.68 -0.19 -1.65 0.00 5.85 -1.18 -2.13 115.31 116.69 1ir1 h LEU 424 Ca 0.31 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1ir1 h LEU 424 Cb 0.22 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1ir1 h LEU 424 CO -0.20 -0.00 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.39 1ir1 h GLU 425 N -0.36 0.00 -0.36 1.25 5.08 -1.04 -0.30 114.58 118.85 1ir1 h GLU 425 Ca -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1ir1 h GLU 425 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ir1 h GLU 425 CO 0.04 0.18 -0.21 0.00 -1.00 0.00 0.00 179.01 178.02 1ir1 h ALA 426 N 1.82 0.95 -0.23 3.43 0.00 -0.75 -0.85 119.26 123.63 1ir1 h ALA 426 Ca -0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 1ir1 h ALA 426 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ir1 h ALA 426 CO 0.02 0.61 -0.56 0.00 0.00 0.00 0.00 179.25 179.32 1ir1 h VAL 428 N 0.54 1.19 -0.05 0.00 2.07 -0.93 -0.67 116.25 118.40 1ir1 h VAL 428 Ca -0.00 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1ir1 h VAL 428 Cb 1.18 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ir1 h VAL 428 CO 0.12 0.21 0.03 -0.61 0.02 0.00 0.00 177.57 177.34 1ir1 h GLN 429 N 0.54 0.07 -0.76 1.57 4.15 -1.16 -0.97 115.11 118.54 1ir1 h GLN 429 Ca 0.14 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.59 1ir1 h GLN 429 Cb 0.15 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 1ir1 h GLN 429 CO -0.02 0.13 0.48 0.00 -1.93 0.00 0.00 178.83 177.49 1ir1 h ALA 430 N 0.94 1.00 -0.12 3.38 0.00 -1.26 -1.57 119.26 121.63 1ir1 h ALA 430 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ir1 h ALA 430 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ir1 h ALA 430 CO -0.00 0.26 0.06 -0.09 0.00 0.00 0.00 179.25 179.48 1ir1 h ARG 431 N 0.92 0.18 0.00 0.00 2.43 -0.93 -1.10 114.38 115.88 1ir1 h ARG 431 Ca 0.31 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1ir1 h ARG 431 Cb 0.04 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1ir1 h ARG 431 CO -0.12 0.25 -0.07 -0.91 -1.51 0.00 0.00 179.97 177.61 1ir1 h ASN 432 N 0.07 0.00 0.08 -3.80 4.21 -0.78 -0.54 115.58 114.82 1ir1 h ASN 432 Ca 0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.55 1ir1 h ASN 432 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1ir1 h ASN 432 CO -0.00 0.07 -0.03 -0.62 -1.29 0.00 0.00 177.43 175.55 1ir1 n GLU 433 N -3.88 1.16 -0.12 0.81 1.02 -0.63 -4.91 120.64 114.10 1ir1 n GLU 433 Ca -0.02 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 1ir1 n GLU 433 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1ir1 n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ir1 n GLY 434 N 1.13 0.88 3.83 0.62 0.00 -0.21 -5.08 105.19 106.35 1ir1 n GLY 434 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1ir1 n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ir1 s ARG 435 N -0.88 4.03 -0.60 1.61 0.52 -0.44 -5.01 118.95 118.17 1ir1 s ARG 435 Ca 0.00 1.06 -0.23 0.00 -0.52 0.00 0.00 55.73 56.04 1ir1 s ARG 435 Cb 0.00 -2.15 0.06 0.00 0.52 0.00 0.00 34.95 33.38 1ir1 s ARG 435 CO 0.00 -0.20 0.93 0.34 0.02 0.00 0.00 175.30 176.39 1ir1 s ASP 436 N -2.61 6.25 0.33 0.23 -1.08 -1.26 -4.46 116.67 114.07 1ir1 s ASP 436 Ca 0.61 -0.71 0.04 0.00 -0.52 0.00 0.00 52.55 51.97 1ir1 s ASP 436 Cb -0.10 -2.42 0.65 0.00 -1.46 0.00 0.00 42.92 39.59 1ir1 s ASP 436 CO 0.23 -1.32 1.92 -0.07 0.52 0.00 0.00 175.17 176.46 1ir1 h LEU 437 N 11.09 0.78 -0.48 -1.34 4.07 -1.93 0.42 115.31 127.92 1ir1 h LEU 437 Ca -0.28 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.61 1ir1 h LEU 437 Cb 1.07 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 1ir1 h LEU 437 CO 1.13 0.49 -0.02 0.00 -1.08 0.00 0.00 178.44 178.95 1ir1 h ALA 438 N 1.56 0.66 0.15 1.53 0.00 -1.92 -0.40 119.26 120.84 1ir1 h ALA 438 Ca 0.37 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1ir1 h ALA 438 Cb 0.30 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ir1 h ALA 438 CO -0.14 0.48 -1.21 -0.09 0.00 0.00 0.00 179.25 178.29 1ir1 h ARG 439 N 0.73 0.32 -0.51 0.00 2.43 -1.86 -3.38 114.38 112.11 1ir1 h ARG 439 Ca 0.13 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1ir1 h ARG 439 Cb 0.54 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1ir1 h ARG 439 CO 0.03 1.26 0.00 0.39 -1.51 0.00 0.00 179.97 180.14 1ir1 n GLU 440 N -3.95 2.57 -0.26 0.20 1.02 0.14 -4.71 120.64 115.65 1ir1 n GLU 440 Ca -0.19 -2.40 -0.05 0.00 -0.02 0.00 0.00 57.16 54.49 1ir1 n GLU 440 Cb 0.91 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1ir1 n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1ir1 h GLY 441 N 4.28 -0.20 1.28 0.62 0.00 -1.20 -0.60 103.07 107.25 1ir1 h GLY 441 Ca 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 1ir1 h GLY 441 CO 0.00 -0.18 0.35 3.43 0.00 0.00 0.00 176.54 180.14 1ir1 h ASN 442 N -0.13 0.84 -0.46 0.19 2.35 -1.85 -2.49 115.58 114.04 1ir1 h ASN 442 Ca 0.24 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 1ir1 h ASN 442 Cb 0.56 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1ir1 h ASN 442 CO -0.77 0.69 -0.17 0.74 -1.65 0.00 0.00 177.43 176.27 1ir1 h THR 443 N 0.94 1.27 -0.61 2.81 2.02 -1.61 -1.74 112.91 116.00 1ir1 h THR 443 Ca 0.24 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 66.11 1ir1 h THR 443 Cb 0.05 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1ir1 h THR 443 CO -0.04 0.45 0.40 0.40 0.37 0.00 0.00 175.52 177.11 1ir1 h ILE 444 N 0.76 1.15 -0.35 3.11 2.04 -0.86 0.11 117.51 123.47 1ir1 h ILE 444 Ca 0.11 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 1ir1 h ILE 444 Cb 0.73 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1ir1 h ILE 444 CO 0.06 0.15 -0.10 0.40 0.00 0.00 0.00 178.15 178.66 1ir1 h ILE 445 N 0.82 1.28 -0.68 -0.67 1.08 -1.37 -2.80 117.51 115.17 1ir1 h ILE 445 Ca 0.22 -1.17 -0.02 0.00 -0.39 0.00 0.00 64.86 63.50 1ir1 h ILE 445 Cb -0.09 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 1ir1 h ILE 445 CO -0.05 0.38 0.33 0.03 -0.69 0.00 0.00 178.15 178.15 1ir1 h ARG 446 N 0.47 0.97 -0.67 2.37 3.08 -1.04 -2.41 114.38 117.14 1ir1 h ARG 446 Ca 0.09 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1ir1 h ARG 446 Cb 0.60 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1ir1 h ARG 446 CO 0.04 0.74 0.43 0.93 -1.07 0.00 0.00 179.97 181.04 1ir1 h GLU 447 N 0.97 0.83 0.00 0.04 5.08 -0.85 -2.57 114.58 118.08 1ir1 h GLU 447 Ca 0.24 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1ir1 h GLU 447 Cb 0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1ir1 h GLU 447 CO -0.03 0.55 -0.20 0.00 -1.00 0.00 0.00 179.01 178.32 1ir1 h ALA 448 N 1.27 1.10 0.00 3.43 0.00 -1.18 -2.77 119.26 121.11 1ir1 h ALA 448 Ca 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ir1 h ALA 448 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ir1 h ALA 448 CO -0.08 0.25 0.00 1.79 0.00 0.00 0.00 179.25 181.21 1ir1 h THR 449 N 0.00 0.00 -0.11 0.00 1.35 -1.10 -2.22 112.91 110.82 1ir1 h THR 449 Ca -0.00 -0.35 -0.09 0.00 -0.55 0.00 0.00 66.41 65.42 1ir1 h THR 449 Cb 0.62 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1ir1 h THR 449 CO 0.03 0.00 -0.33 0.11 -0.25 0.00 0.00 175.52 175.08 1ir1 h LYS 450 N 0.00 0.22 -0.00 4.72 6.56 -1.54 -3.27 116.57 123.26 1ir1 h LYS 450 Ca 0.00 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.50 1ir1 h LYS 450 Cb 0.44 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1ir1 h LYS 450 CO 0.00 0.53 -0.15 -2.67 -2.06 0.00 0.00 179.45 175.10 1ir1 n TRP 451 N -4.10 0.00 -3.96 -1.35 4.27 -1.14 -4.91 117.44 106.26 1ir1 n TRP 451 Ca -0.01 0.00 -0.32 0.00 -3.89 0.00 0.00 57.50 53.28 1ir1 n TRP 451 Cb 0.41 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.22 1ir1 n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1ir1 s SER 452 N -1.10 4.81 0.43 -0.67 0.15 -0.85 -4.96 113.70 111.51 1ir1 s SER 452 Ca 0.04 -2.29 0.09 0.00 0.70 0.00 0.00 55.95 54.50 1ir1 s SER 452 Cb 0.05 -1.68 0.93 0.00 -1.71 0.00 0.00 66.02 63.62 1ir1 s SER 452 CO 0.17 -0.39 2.06 -0.65 1.20 0.00 0.00 173.24 175.63 1ir1 h PRO 453 N 7.50 0.38 -0.41 5.44 0.11 -1.89 -1.27 132.00 141.88 1ir1 h PRO 453 Ca -0.06 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1ir1 h PRO 453 Cb 1.00 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1ir1 h PRO 453 CO 0.58 0.29 0.14 0.93 -0.21 0.00 0.00 178.00 179.73 1ir1 h GLU 454 N 0.39 0.62 -0.34 1.05 3.07 -1.93 -1.27 114.58 116.18 1ir1 h GLU 454 Ca 0.10 -0.13 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1ir1 h GLU 454 Cb 0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1ir1 h GLU 454 CO -0.02 0.61 -0.19 1.25 -1.40 0.00 0.00 179.01 179.26 1ir1 h LEU 455 N 0.51 0.75 -0.57 1.33 5.85 -1.77 -2.78 115.31 118.63 1ir1 h LEU 455 Ca 0.13 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.51 1ir1 h LEU 455 Cb 0.23 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1ir1 h LEU 455 CO -0.01 1.00 0.24 0.00 -0.34 0.00 0.00 178.44 179.34 1ir1 h ALA 456 N 0.77 0.73 -0.90 1.25 0.00 -1.06 0.34 119.26 120.39 1ir1 h ALA 456 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ir1 h ALA 456 Cb 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1ir1 h ALA 456 CO 0.05 -0.15 0.51 0.00 0.00 0.00 0.00 179.25 179.67 1ir1 h ALA 457 N 1.36 1.15 -0.28 0.00 0.00 -1.17 -2.50 119.26 117.82 1ir1 h ALA 457 Ca 0.27 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1ir1 h ALA 457 Cb 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ir1 h ALA 457 CO -0.24 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.58 1ir1 h ALA 458 N 1.28 0.39 -0.56 0.00 0.00 -1.02 -3.07 119.26 116.28 1ir1 h ALA 458 Ca 0.32 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ir1 h ALA 458 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1ir1 h ALA 458 CO -0.05 0.21 0.37 0.00 0.00 0.00 0.00 179.25 179.78 1ir1 h GLU 460 N 0.75 1.00 -0.10 0.00 4.81 -1.39 -1.78 114.58 117.88 1ir1 h GLU 460 Ca 0.21 -0.23 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 1ir1 h GLU 460 Cb -0.08 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.18 1ir1 h GLU 460 CO -0.04 0.90 -0.87 0.28 -0.73 0.00 0.00 179.01 178.54 1ir1 h VAL 461 N 0.95 1.28 -0.32 0.32 2.07 -1.36 -3.36 116.25 115.82 1ir1 h VAL 461 Ca 0.20 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1ir1 h VAL 461 Cb 0.37 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1ir1 h VAL 461 CO 0.00 0.65 0.00 0.79 0.02 0.00 0.00 177.57 179.04 1ir1 n TRP 462 N -3.90 0.98 -0.24 1.57 8.01 -1.06 -4.76 117.44 118.04 1ir1 n TRP 462 Ca -0.09 -0.78 0.04 0.00 -1.31 0.00 0.00 57.50 55.37 1ir1 n TRP 462 Cb 0.80 -0.27 0.17 0.00 -2.01 0.00 0.00 31.31 29.99 1ir1 n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1ir1 h LYS 463 N 2.16 0.39 -0.67 -0.99 3.64 -1.47 -2.69 116.57 116.94 1ir1 h LYS 463 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ir1 h LYS 463 Cb 1.36 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1ir1 h LYS 463 CO 0.21 0.26 0.00 0.39 -2.27 0.00 0.00 179.45 178.03 1ir1 n GLU 464 N -5.03 3.71 -3.16 1.90 1.02 -1.26 -4.93 120.64 112.89 1ir1 n GLU 464 Ca 0.13 -2.86 -0.41 0.00 -0.02 0.00 0.00 57.16 54.00 1ir1 n GLU 464 Cb 0.39 -1.89 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 1ir1 n GLU 464 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ir1 s ILE 465 N -1.82 4.95 0.04 -3.67 -1.09 -1.02 -5.04 121.20 113.56 1ir1 s ILE 465 Ca 0.51 0.66 -0.05 0.00 -2.23 0.00 0.00 60.65 59.54 1ir1 s ILE 465 Cb 0.33 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1ir1 s ILE 465 CO 0.25 -0.19 0.08 -0.54 -1.23 0.00 0.00 174.94 173.31 1ir1 s LYS 466 N 2.56 0.59 -0.34 2.79 1.02 -1.26 -5.05 119.74 120.05 1ir1 s LYS 466 Ca 0.23 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.43 1ir1 s LYS 466 Cb -0.15 0.23 0.10 0.00 -0.52 0.00 0.00 37.83 37.49 1ir1 s LYS 466 CO 0.13 -0.14 0.07 -0.06 -0.92 0.00 0.00 175.35 174.42 1ir1 s PHE 467 N -2.77 3.37 -0.22 3.18 0.08 -1.26 -5.07 117.98 115.29 1ir1 s PHE 467 Ca -0.04 -2.78 -0.01 0.00 0.12 0.00 0.00 56.93 54.23 1ir1 s PHE 467 Cb -0.00 -2.70 0.06 0.00 -0.57 0.00 0.00 43.02 39.81 1ir1 s PHE 467 CO -0.05 -0.93 -0.01 -1.21 -0.10 0.00 0.00 175.22 172.91 1ir1 s GLU 468 N 0.99 1.23 0.05 0.44 2.02 -1.26 -4.80 118.70 117.37 1ir1 s GLU 468 Ca 0.11 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.29 1ir1 s GLU 468 Cb -0.19 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 1ir1 s GLU 468 CO -0.11 -0.63 0.00 -0.06 0.02 0.00 0.00 175.26 174.48 1ir1 s PHE 469 N 1.57 0.45 0.27 1.61 0.08 -1.26 -5.14 117.98 115.56 1ir1 s PHE 469 Ca -0.03 -0.96 -0.29 0.00 0.12 0.00 0.00 56.93 55.76 1ir1 s PHE 469 Cb -0.18 -0.33 -0.10 0.00 -0.57 0.00 0.00 43.02 41.84 1ir1 s PHE 469 CO -0.08 -0.39 1.30 -2.14 -0.10 0.00 0.00 175.22 173.82 1ir1 s PRO 470 N -3.72 4.39 0.18 0.24 0.02 -1.26 -5.00 135.00 129.84 1ir1 s PRO 470 Ca 0.05 2.12 -0.20 0.00 0.02 0.00 0.00 61.00 62.99 1ir1 s PRO 470 Cb 0.06 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.37 1ir1 s PRO 470 CO -0.09 -0.19 0.69 0.00 -0.33 0.00 0.00 177.00 177.07 1ir1 s ALA 471 N -0.59 3.47 -0.16 -1.55 0.00 -1.26 -5.00 121.76 116.67 1ir1 s ALA 471 Ca 0.52 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 1ir1 s ALA 471 Cb -0.38 -2.78 -0.23 0.00 0.00 0.00 0.00 23.12 19.73 1ir1 s ALA 471 CO 0.45 0.35 0.44 0.52 0.00 0.00 0.00 175.76 177.52 1ir1 h MET 472 N 3.81 0.08 -6.06 0.00 2.86 -1.95 -3.42 114.93 110.26 1ir1 h MET 472 Ca -0.48 -0.14 -0.57 0.00 -2.06 0.00 0.00 59.70 56.44 1ir1 h MET 472 Cb 1.20 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.81 1ir1 h MET 472 CO 0.65 1.07 0.95 0.34 1.06 0.00 0.00 176.91 180.98 1ir1 s ASP 473 N -6.78 6.20 0.10 1.22 2.15 -1.22 -4.35 116.67 113.99 1ir1 s ASP 473 Ca -0.24 -0.72 0.08 0.00 0.43 0.00 0.00 52.55 52.10 1ir1 s ASP 473 Cb 0.04 -2.52 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 1ir1 s ASP 473 CO 0.67 -1.69 -0.21 0.42 -0.17 0.00 0.00 175.17 174.19 1ir1 s THR 474 N 5.15 1.74 -1.64 1.71 -4.23 -1.26 -4.69 115.64 112.42 1ir1 s THR 474 Ca 0.32 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 1ir1 s THR 474 Cb -0.10 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.18 1ir1 s THR 474 CO 0.11 -0.02 0.41 0.52 -0.54 0.00 0.00 174.62 175.10