#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 3.37 -0.30 -0.32 5.36 -1.26 -5.01 117.98 119.81 1ir1 s PHE 13 Ca 0.00 1.15 0.02 0.00 -0.96 0.00 0.00 56.93 57.14 1ir1 s PHE 13 Cb 0.00 -2.99 0.09 0.00 -0.34 0.00 0.00 43.02 39.77 1ir1 s PHE 13 CO 0.00 -0.30 0.02 0.21 -1.46 0.00 0.00 175.22 173.70 1ir1 s LYS 14 N 2.40 1.39 0.67 10.12 2.47 -1.26 -5.11 119.74 130.41 1ir1 s LYS 14 Ca 0.35 -1.42 -0.17 0.00 -1.56 0.00 0.00 55.97 53.18 1ir1 s LYS 14 Cb -0.16 -2.73 0.00 0.00 -1.46 0.00 0.00 37.83 33.49 1ir1 s LYS 14 CO 0.10 -0.84 1.26 0.00 0.16 0.00 0.00 175.35 176.04 1ir1 s ALA 15 N 1.22 2.30 0.00 3.13 0.00 -1.26 -4.84 121.76 122.31 1ir1 s ALA 15 Ca 0.05 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.11 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 -0.12 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.40 1ir1 n GLY 16 N 0.73 3.45 3.81 0.00 0.00 -1.26 -4.99 105.19 106.93 1ir1 n GLY 16 Ca 0.15 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.34 4.98 0.06 1.61 1.01 -1.26 -1.93 120.40 122.53 1ir1 s VAL 17 Ca 0.00 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 1ir1 s VAL 17 Cb 0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1ir1 s VAL 17 CO 0.00 0.53 0.11 -1.59 0.00 0.00 0.00 175.10 174.15 1ir1 s LYS 18 N -0.82 0.68 0.38 2.72 -2.85 -1.26 -5.00 119.74 113.59 1ir1 s LYS 18 Ca 0.25 -0.90 -0.26 0.00 -1.00 0.00 0.00 55.97 54.05 1ir1 s LYS 18 Cb -0.17 0.27 -0.11 0.00 -2.06 0.00 0.00 37.83 35.75 1ir1 s LYS 18 CO 0.14 -0.18 1.23 -0.25 0.10 0.00 0.00 175.35 176.39 1ir1 n ASP 19 N 0.37 2.41 -0.15 0.03 8.00 -1.26 -4.90 116.55 121.05 1ir1 n ASP 19 Ca -0.17 1.14 -0.03 0.00 0.71 0.00 0.00 54.79 56.45 1ir1 n ASP 19 Cb 0.60 -1.46 0.18 0.00 -0.02 0.00 0.00 41.12 40.42 1ir1 n ASP 19 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1ir1 h TYR 20 N 2.20 0.90 -0.04 1.24 0.05 -1.92 -2.91 116.97 116.49 1ir1 h TYR 20 Ca -0.46 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.25 1ir1 h TYR 20 Cb 1.30 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.77 1ir1 h TYR 20 CO 0.48 0.74 0.10 1.57 -1.05 0.00 0.00 178.16 180.00 1ir1 h LYS 21 N 0.84 0.00 0.00 4.88 2.10 -1.84 0.59 116.57 123.14 1ir1 h LYS 21 Ca 0.19 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.80 1ir1 h LYS 21 Cb 0.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1ir1 h LYS 21 CO -0.00 0.00 -0.15 -0.07 -2.00 0.00 0.00 179.45 177.22 1ir1 h LEU 22 N 0.00 0.00 0.00 7.07 4.07 -1.85 -2.98 115.31 121.62 1ir1 h LEU 22 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1ir1 h LEU 22 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1ir1 h LEU 22 CO -0.00 0.15 -0.98 0.41 -1.08 0.00 0.00 178.44 176.94 1ir1 n THR 23 N -3.78 0.00 0.88 0.22 -1.04 -0.65 -4.83 114.28 105.08 1ir1 n THR 23 Ca -0.02 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.10 1ir1 n THR 23 Cb 0.26 -0.89 0.09 0.00 -1.82 0.00 0.00 70.33 67.97 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 -2.07 0.01 -3.70 -1.42 4.01 0.11 -4.81 117.16 109.28 1ir1 n TYR 24 Ca 0.00 -0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 1ir1 n TYR 24 Cb 0.49 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.41 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 -1.78 3.32 -0.57 -0.72 5.04 -1.12 -1.18 117.35 120.34 1ir1 s TYR 25 Ca 0.25 -1.57 0.05 0.00 -2.44 0.00 0.00 57.07 53.36 1ir1 s TYR 25 Cb 0.18 -2.62 0.17 0.00 0.35 0.00 0.00 41.96 40.05 1ir1 s TYR 25 CO 0.27 -0.80 0.44 0.25 -1.34 0.00 0.00 175.55 174.37 1ir1 n THR 26 N 4.82 0.33 0.19 4.34 -2.24 -0.36 -4.87 114.28 116.49 1ir1 n THR 26 Ca -0.10 -4.22 0.08 0.00 -2.27 0.00 0.00 64.05 57.54 1ir1 n THR 26 Cb 0.44 -1.94 0.40 0.00 -2.10 0.00 0.00 70.33 67.12 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 2.29 0.10 -0.13 -0.78 -0.04 -1.26 -2.01 135.00 133.18 1ir1 n PRO 27 Ca 0.25 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.36 1ir1 n PRO 27 Cb 0.41 -1.79 0.24 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.00 2.32 -2.30 0.54 0.00 -1.26 -4.87 120.64 113.06 1ir1 n GLU 28 Ca -0.00 -1.98 -0.42 0.00 0.00 0.00 0.00 57.16 54.77 1ir1 n GLU 28 Cb 0.07 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 30.00 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 -1.65 3.35 -0.26 -1.84 5.04 -0.85 -5.01 117.35 116.13 1ir1 s TYR 29 Ca 0.36 1.19 -0.10 0.00 -2.44 0.00 0.00 57.07 56.08 1ir1 s TYR 29 Cb 0.21 -3.53 -0.04 0.00 0.35 0.00 0.00 41.96 38.94 1ir1 s TYR 29 CO 0.31 -1.72 0.15 -1.21 -1.34 0.00 0.00 175.55 171.73 1ir1 s GLU 30 N 0.77 3.91 0.58 4.97 2.02 -1.26 -4.99 118.70 124.70 1ir1 s GLU 30 Ca 0.60 -0.35 -0.19 0.00 0.02 0.00 0.00 54.97 55.05 1ir1 s GLU 30 Cb -0.33 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 1ir1 s GLU 30 CO 0.31 -0.10 1.19 0.95 0.02 0.00 0.00 175.26 177.63 1ir1 s THR 31 N 1.49 2.73 0.17 3.63 -4.23 -1.26 -5.04 115.64 113.14 1ir1 s THR 31 Ca 0.07 0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 61.01 1ir1 s THR 31 Cb -0.15 -3.18 -0.05 0.00 1.34 0.00 0.00 72.50 70.46 1ir1 s THR 31 CO 0.07 -0.10 0.37 -0.76 -0.54 0.00 0.00 174.62 173.66 1ir1 s LEU 32 N -4.03 4.25 0.02 4.79 1.43 -1.26 -4.98 118.68 118.90 1ir1 s LEU 32 Ca 0.77 0.43 0.11 0.00 -1.03 0.00 0.00 54.13 54.40 1ir1 s LEU 32 Cb -0.29 -3.18 0.45 0.00 0.03 0.00 0.00 46.19 43.20 1ir1 s LEU 32 CO 0.32 0.01 1.34 0.47 0.23 0.00 0.00 176.35 178.71 1ir1 n ASP 33 N -0.35 0.04 -0.46 2.29 8.00 -1.26 -1.85 116.55 122.95 1ir1 n ASP 33 Ca -0.04 0.51 0.11 0.00 0.71 0.00 0.00 54.79 56.08 1ir1 n ASP 33 Cb 0.53 -0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.54 0.00 -2.56 -3.53 -2.24 -1.26 -4.54 114.28 98.61 1ir1 n THR 34 Ca 0.02 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1ir1 n THR 34 Cb 0.12 1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 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 -2.49 6.51 -0.23 3.42 1.01 -0.77 -3.66 116.67 120.46 1ir1 s ASP 35 Ca 0.18 1.79 -0.13 0.00 0.71 0.00 0.00 52.55 55.10 1ir1 s ASP 35 Cb 0.18 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 1ir1 s ASP 35 CO 0.59 -0.66 0.27 -0.63 0.21 0.00 0.00 175.17 174.95 1ir1 s ILE 36 N -2.18 5.28 -0.07 0.77 1.01 0.43 -4.16 121.20 122.27 1ir1 s ILE 36 Ca 0.64 0.43 -0.01 0.00 0.00 0.00 0.00 60.65 61.71 1ir1 s ILE 36 Cb -0.13 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1ir1 s ILE 36 CO 0.21 0.29 -0.00 -0.76 0.00 0.00 0.00 174.94 174.68 1ir1 s LEU 37 N 1.25 3.55 -0.00 2.97 1.43 -0.92 -0.49 118.68 126.47 1ir1 s LEU 37 Ca 0.13 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1ir1 s LEU 37 Cb -0.14 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1ir1 s LEU 37 CO 0.06 0.36 -0.16 0.00 0.23 0.00 0.00 176.35 176.84 1ir1 s ALA 38 N -0.92 1.36 -0.32 4.21 0.00 0.29 0.06 121.76 126.44 1ir1 s ALA 38 Ca 0.14 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1ir1 s ALA 38 Cb -0.11 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.74 1ir1 s ALA 38 CO 0.04 0.33 0.05 0.00 0.00 0.00 0.00 175.76 176.17 1ir1 s ALA 39 N -0.45 2.90 -0.14 0.00 0.00 -0.83 -0.91 121.76 122.33 1ir1 s ALA 39 Ca 0.06 -1.93 -0.06 0.00 0.00 0.00 0.00 51.96 50.03 1ir1 s ALA 39 Cb -0.07 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1ir1 s ALA 39 CO -0.00 -1.39 0.08 -0.06 0.00 0.00 0.00 175.76 174.39 1ir1 s PHE 40 N 1.23 3.36 -0.49 0.00 0.08 -0.32 -0.94 117.98 120.90 1ir1 s PHE 40 Ca -0.02 0.27 -0.19 0.00 0.12 0.00 0.00 56.93 57.11 1ir1 s PHE 40 Cb -0.20 -1.97 0.05 0.00 -0.57 0.00 0.00 43.02 40.33 1ir1 s PHE 40 CO -0.02 0.43 0.61 0.50 -0.10 0.00 0.00 175.22 176.64 1ir1 s ARG 41 N -0.38 3.13 -0.17 0.44 3.52 0.17 -0.72 118.95 124.94 1ir1 s ARG 41 Ca 0.10 -0.85 -0.07 0.00 -0.13 0.00 0.00 55.73 54.78 1ir1 s ARG 41 Cb -0.12 -4.08 -0.04 0.00 -1.56 0.00 0.00 34.95 29.15 1ir1 s ARG 41 CO 0.02 -1.18 0.07 0.08 -0.81 0.00 0.00 175.30 173.48 1ir1 s VAL 42 N 2.59 4.86 -0.45 7.11 1.01 0.20 -1.71 120.40 134.01 1ir1 s VAL 42 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1ir1 s VAL 42 Cb -0.19 -3.17 0.12 0.00 0.00 0.00 0.00 36.38 33.15 1ir1 s VAL 42 CO 0.12 0.49 0.20 -0.44 0.00 0.00 0.00 175.10 175.48 1ir1 s SER 43 N 0.07 4.24 0.77 3.32 0.01 -0.86 -0.81 113.70 120.45 1ir1 s SER 43 Ca 0.06 -2.67 -0.11 0.00 1.31 0.00 0.00 55.95 54.53 1ir1 s SER 43 Cb -0.12 -1.46 0.06 0.00 0.21 0.00 0.00 66.02 64.71 1ir1 s SER 43 CO 0.01 -0.28 1.10 -2.84 0.41 0.00 0.00 173.24 171.64 1ir1 s PRO 44 N 0.21 2.20 0.62 12.44 0.02 -1.26 -0.07 135.00 149.16 1ir1 s PRO 44 Ca 0.15 1.26 -0.14 0.00 0.02 0.00 0.00 61.00 62.30 1ir1 s PRO 44 Cb -0.24 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 1ir1 s PRO 44 CO -0.03 -1.70 1.05 -0.65 -0.33 0.00 0.00 177.00 175.34 1ir1 s GLN 45 N -4.72 3.27 0.22 5.54 -1.52 -0.53 -4.43 119.66 117.50 1ir1 s GLN 45 Ca 0.63 1.09 -0.32 0.00 -1.95 0.00 0.00 55.36 54.81 1ir1 s GLN 45 Cb -0.19 -2.03 -0.13 0.00 -0.22 0.00 0.00 33.01 30.45 1ir1 s GLN 45 CO 0.54 -0.84 1.60 -2.30 -0.25 0.00 0.00 175.29 174.04 1ir1 n PRO 46 N -2.35 2.46 -0.16 2.91 -0.02 -1.26 -1.90 135.00 134.68 1ir1 n PRO 46 Ca 0.08 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1ir1 n PRO 46 Cb 0.53 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 3.10 0.67 3.43 -1.23 0.00 -1.26 -5.04 105.19 104.86 1ir1 n GLY 47 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.41 4.61 0.56 1.61 1.01 -0.80 -5.07 120.40 119.91 1ir1 s VAL 48 Ca 0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 1ir1 s VAL 48 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1ir1 s VAL 48 CO 0.00 0.00 1.35 -2.65 0.00 0.00 0.00 175.10 173.80 1ir1 n PRO 49 N 4.99 1.63 0.25 2.72 -0.02 -1.26 -4.73 135.00 138.59 1ir1 n PRO 49 Ca -0.13 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.02 1ir1 n PRO 49 Cb 0.48 -2.57 0.60 0.00 -0.02 0.00 0.00 33.50 32.00 1ir1 n PRO 49 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ir1 h PRO 50 N 1.34 0.00 -0.59 0.52 0.13 -1.98 -1.56 132.00 129.86 1ir1 h PRO 50 Ca -0.51 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 1ir1 h PRO 50 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1ir1 h PRO 50 CO 0.57 0.05 0.02 0.93 -0.23 0.00 0.00 178.00 179.34 1ir1 h GLU 51 N 0.00 1.01 -0.19 0.86 3.07 -1.99 -0.49 114.58 116.84 1ir1 h GLU 51 Ca -0.00 -0.30 -0.20 0.00 -0.50 0.00 0.00 59.36 58.36 1ir1 h GLU 51 Cb 0.09 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1ir1 h GLU 51 CO 0.01 0.97 -0.67 1.49 -1.40 0.00 0.00 179.01 179.41 1ir1 h GLU 52 N 0.93 0.79 -0.39 2.33 4.57 -1.77 -1.59 114.58 119.44 1ir1 h GLU 52 Ca 0.17 -0.60 -0.02 0.00 -1.18 0.00 0.00 59.36 57.73 1ir1 h GLU 52 Cb 0.51 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1ir1 h GLU 52 CO 0.02 1.21 0.15 0.00 -1.18 0.00 0.00 179.01 179.21 1ir1 h ALA 53 N 0.58 0.51 -0.44 2.92 0.00 -1.16 0.25 119.26 121.92 1ir1 h ALA 53 Ca -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1ir1 h ALA 53 Cb 1.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1ir1 h ALA 53 CO 0.14 0.12 -0.08 0.78 0.00 0.00 0.00 179.25 180.20 1ir1 h GLY 54 N 0.48 0.84 1.55 0.00 0.00 -1.11 -2.27 103.07 102.56 1ir1 h GLY 54 Ca 0.13 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1ir1 h GLY 54 CO -0.01 0.56 -0.37 0.00 0.00 0.00 0.00 176.54 176.72 1ir1 h ALA 55 N 1.20 0.93 -0.52 3.60 0.00 -0.99 -1.97 119.26 121.52 1ir1 h ALA 55 Ca 0.12 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1ir1 h ALA 55 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ir1 h ALA 55 CO 0.03 0.62 0.10 0.00 0.00 0.00 0.00 179.25 180.01 1ir1 h ALA 56 N 1.17 0.69 -0.32 0.00 0.00 -0.69 -0.05 119.26 120.06 1ir1 h ALA 56 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ir1 h ALA 56 Cb 0.84 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1ir1 h ALA 56 CO 0.07 0.40 0.16 0.28 0.00 0.00 0.00 179.25 180.17 1ir1 h VAL 57 N 0.73 1.15 -0.49 0.00 2.07 -1.24 -1.75 116.25 116.72 1ir1 h VAL 57 Ca 0.16 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1ir1 h VAL 57 Cb 0.37 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1ir1 h VAL 57 CO 0.01 0.15 0.23 0.00 0.02 0.00 0.00 177.57 177.98 1ir1 h ALA 58 N 1.02 0.63 0.51 1.67 0.00 -1.12 -2.88 119.26 119.09 1ir1 h ALA 58 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ir1 h ALA 58 Cb 0.10 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ir1 h ALA 58 CO -0.02 0.20 -0.25 0.00 0.00 0.00 0.00 179.25 179.19 1ir1 h ALA 59 N 1.07 -0.69 0.00 0.00 0.00 -0.88 -3.11 119.26 115.66 1ir1 h ALA 59 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ir1 h ALA 59 Cb 0.13 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ir1 h ALA 59 CO -0.02 -0.76 0.00 0.39 0.00 0.00 0.00 179.25 178.86 1ir1 n GLU 60 N -5.29 0.55 -0.08 0.00 -0.58 -0.67 -1.50 120.64 113.07 1ir1 n GLU 60 Ca -0.11 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.65 1ir1 n GLU 60 Cb 0.32 -1.44 0.07 0.00 -0.57 0.00 0.00 31.44 29.82 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 -0.94 2.39 0.00 1.62 3.41 -1.09 -4.66 113.62 114.36 1ir1 n SER 61 Ca 0.11 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1ir1 n SER 61 Cb 0.05 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.06 0.00 0.00 4.04 3.41 -0.75 -4.31 113.62 115.95 1ir1 n SER 62 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ir1 n SER 62 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.81 0.00 -3.08 6.66 -2.24 -0.95 -4.95 114.28 107.90 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 0.35 0.02 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.92 0.07 3.38 0.00 -0.56 -5.03 107.32 106.24 1ir1 s GLY 64 Ca 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 42.93 1ir1 s GLY 64 CO 0.00 -1.57 0.05 -0.37 0.00 0.00 0.00 173.10 171.21 1ir1 n THR 65 N -1.92 0.00 0.35 0.90 5.66 -1.26 -4.15 114.28 113.86 1ir1 n THR 65 Ca 0.09 -0.45 0.13 0.00 -3.05 0.00 0.00 64.05 60.78 1ir1 n THR 65 Cb 0.60 0.21 0.56 0.00 -1.55 0.00 0.00 70.33 70.15 1ir1 n THR 65 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 175.07 176.13 1ir1 h TRP 66 N 1.18 0.00 -4.23 1.09 5.08 -2.00 -3.45 115.95 113.62 1ir1 h TRP 66 Ca -0.05 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.79 1ir1 h TRP 66 Cb 0.22 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.24 1ir1 h TRP 66 CO 0.00 0.00 -0.62 -0.08 -1.28 0.00 0.00 178.44 176.46 1ir1 s THR 67 N -3.43 0.17 0.18 0.12 -1.32 -1.26 -4.65 115.64 105.45 1ir1 s THR 67 Ca 0.03 -1.75 -0.30 0.00 -1.21 0.00 0.00 61.69 58.45 1ir1 s THR 67 Cb 0.09 -1.67 -0.08 0.00 -1.51 0.00 0.00 72.50 69.33 1ir1 s THR 67 CO 0.40 -0.77 1.31 -0.89 -2.21 0.00 0.00 174.62 172.46 1ir1 s THR 68 N -3.95 3.26 0.02 5.08 2.01 -0.81 -5.00 115.64 116.24 1ir1 s THR 68 Ca 0.12 1.02 0.08 0.00 0.31 0.00 0.00 61.69 63.23 1ir1 s THR 68 Cb 0.07 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1ir1 s THR 68 CO -0.06 0.14 -0.25 0.68 -0.69 0.00 0.00 174.62 174.44 1ir1 s VAL 69 N 0.25 2.23 0.28 3.82 -7.23 -1.26 -4.53 120.40 113.96 1ir1 s VAL 69 Ca 0.57 -1.25 0.20 0.00 -1.81 0.00 0.00 61.98 59.70 1ir1 s VAL 69 Cb -0.36 -1.84 0.18 0.00 0.56 0.00 0.00 36.38 34.91 1ir1 s VAL 69 CO 0.37 0.44 1.86 4.11 -0.31 0.00 0.00 175.10 181.57 1ir1 h TRP 70 N 5.01 0.00 0.00 2.82 5.08 -1.97 -3.15 115.95 123.74 1ir1 h TRP 70 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 1ir1 h TRP 70 Cb 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 1ir1 h TRP 70 CO 0.46 0.29 0.00 0.25 -1.28 0.00 0.00 178.44 178.16 1ir1 n THR 71 N -3.69 1.15 -0.07 0.12 -2.24 -1.26 -2.03 114.28 106.27 1ir1 n THR 71 Ca -0.01 0.61 0.02 0.00 -2.27 0.00 0.00 64.05 62.40 1ir1 n THR 71 Cb 0.40 -1.59 0.34 0.00 -2.10 0.00 0.00 70.33 67.38 1ir1 n THR 71 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ir1 h ASP 72 N 0.00 0.60 0.47 3.42 5.19 -1.92 -2.08 116.42 122.10 1ir1 h ASP 72 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1ir1 h ASP 72 Cb 0.06 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1ir1 h ASP 72 CO 0.00 0.49 0.00 0.61 -3.12 0.00 0.00 179.24 177.22 1ir1 n GLY 73 N -1.32 -0.97 0.19 2.75 0.00 -0.86 -2.42 105.19 102.57 1ir1 n GLY 73 Ca 0.04 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 4.07 -1.57 -3.47 115.31 115.34 1ir1 h LEU 74 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 1ir1 h LEU 74 Cb 0.23 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 1ir1 h LEU 74 CO 0.00 0.14 -0.21 1.07 -1.08 0.00 0.00 178.44 178.36 1ir1 n THR 75 N -3.11 0.00 -3.66 0.22 5.66 -1.02 -5.10 114.28 107.27 1ir1 n THR 75 Ca 0.03 -1.05 -0.38 0.00 -3.05 0.00 0.00 64.05 59.60 1ir1 n THR 75 Cb 0.59 0.31 -0.09 0.00 -1.55 0.00 0.00 70.33 69.59 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 -2.15 5.47 0.45 1.09 2.47 -1.26 -4.96 114.94 116.05 1ir1 s ASN 76 Ca 0.05 -2.44 0.10 0.00 0.42 0.00 0.00 52.86 51.00 1ir1 s ASN 76 Cb 0.00 -1.91 1.00 0.00 -1.45 0.00 0.00 41.25 38.89 1ir1 s ASN 76 CO 0.04 -0.50 2.09 0.25 -3.72 0.00 0.00 177.10 175.26 1ir1 h LEU 77 N 7.65 0.31 -2.24 3.21 5.85 -1.99 -2.10 115.31 126.00 1ir1 h LEU 77 Ca -0.07 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1ir1 h LEU 77 Cb 1.01 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1ir1 h LEU 77 CO 0.74 0.22 -0.05 0.44 -0.34 0.00 0.00 178.44 179.45 1ir1 h ASP 78 N 0.37 0.00 1.07 1.25 5.19 -1.95 0.25 116.42 122.59 1ir1 h ASP 78 Ca 0.11 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.37 1ir1 h ASP 78 Cb -0.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1ir1 h ASP 78 CO -0.02 0.05 -0.99 -0.09 -3.12 0.00 0.00 179.24 175.07 1ir1 h ARG 79 N 0.00 0.00 0.00 3.56 2.43 -1.81 -3.39 114.38 115.17 1ir1 h ARG 79 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1ir1 h ARG 79 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1ir1 h ARG 79 CO 0.01 0.47 -1.52 0.66 -1.51 0.00 0.00 179.97 178.08 1ir1 n TYR 80 N -3.09 0.00 -1.99 2.20 4.01 -0.72 -4.85 117.16 112.72 1ir1 n TYR 80 Ca -0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.32 1ir1 n TYR 80 Cb 0.82 -0.29 0.01 0.00 -0.31 0.00 0.00 39.34 39.56 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 -2.63 3.64 0.51 -0.72 -2.85 0.80 -4.63 119.74 113.86 1ir1 s LYS 81 Ca -0.04 2.12 -0.10 0.00 -1.00 0.00 0.00 55.97 56.96 1ir1 s LYS 81 Cb 0.06 -2.51 -0.05 0.00 -2.06 0.00 0.00 37.83 33.27 1ir1 s LYS 81 CO 0.43 -0.75 0.88 0.20 0.10 0.00 0.00 175.35 176.21 1ir1 s GLY 82 N -0.92 1.72 -0.17 0.59 0.00 -1.26 -4.59 107.32 102.69 1ir1 s GLY 82 Ca 0.63 -0.22 -0.14 0.00 0.00 0.00 0.00 44.72 44.99 1ir1 s GLY 82 CO 0.46 -0.01 0.44 1.09 0.00 0.00 0.00 173.10 175.09 1ir1 s ARG 83 N -4.58 0.49 -0.50 2.90 1.70 -0.37 -4.63 118.95 113.98 1ir1 s ARG 83 Ca 0.52 0.68 -0.26 0.00 -0.47 0.00 0.00 55.73 56.20 1ir1 s ARG 83 Cb -0.10 0.18 0.03 0.00 -0.57 0.00 0.00 34.95 34.48 1ir1 s ARG 83 CO 0.43 -0.09 1.01 0.00 -1.08 0.00 0.00 175.30 175.56 1ir1 n TYR 85 N 7.52 0.00 -3.60 0.00 4.11 -0.63 -1.23 117.16 123.34 1ir1 n TYR 85 Ca 0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.81 1ir1 n TYR 85 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.76 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 -2.14 -0.64 -0.03 -3.48 5.04 -1.24 -4.26 115.29 108.54 1ir1 s HIS 86 Ca 0.13 1.33 -0.01 0.00 -1.54 0.00 0.00 55.06 54.97 1ir1 s HIS 86 Cb 0.14 0.31 0.03 0.00 0.04 0.00 0.00 32.58 33.10 1ir1 s HIS 86 CO 0.49 -0.47 0.05 0.42 -2.34 0.00 0.00 174.74 172.89 1ir1 s ILE 87 N -0.52 -0.06 -0.01 0.89 1.01 -1.26 -1.25 121.20 119.99 1ir1 s ILE 87 Ca -0.06 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.83 1ir1 s ILE 87 Cb -0.03 -0.11 0.00 0.00 0.01 0.00 0.00 42.46 42.33 1ir1 s ILE 87 CO 0.05 0.09 -0.06 -1.83 0.00 0.00 0.00 174.94 173.20 1ir1 s GLU 88 N 1.17 0.57 0.48 2.79 -1.05 -0.76 -4.99 118.70 116.92 1ir1 s GLU 88 Ca -0.08 -0.18 -0.23 0.00 -0.15 0.00 0.00 54.97 54.32 1ir1 s GLU 88 Cb -0.13 -0.57 -0.07 0.00 -0.44 0.00 0.00 34.13 32.93 1ir1 s GLU 88 CO -0.04 0.08 1.24 -2.14 0.95 0.00 0.00 175.26 175.35 1ir1 s PRO 89 N 0.14 3.60 -0.27 -4.83 0.02 -1.26 -1.01 135.00 131.38 1ir1 s PRO 89 Ca -0.01 1.97 -0.16 0.00 0.02 0.00 0.00 61.00 62.81 1ir1 s PRO 89 Cb -0.06 -2.41 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 1ir1 s PRO 89 CO -0.00 -0.74 0.44 0.08 -0.33 0.00 0.00 177.00 176.45 1ir1 s VAL 90 N -1.43 5.13 0.20 3.83 1.01 -0.60 -4.82 120.40 123.71 1ir1 s VAL 90 Ca 0.65 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 1ir1 s VAL 90 Cb -0.33 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1ir1 s VAL 90 CO 0.41 0.12 1.23 0.00 0.00 0.00 0.00 175.10 176.86 1ir1 s ALA 91 N 2.18 3.46 0.00 5.51 0.00 -1.26 -2.99 121.76 128.67 1ir1 s ALA 91 Ca 0.18 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1ir1 s ALA 91 Cb -0.16 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1ir1 s ALA 91 CO 0.10 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1ir1 n GLY 92 N 2.16 0.75 3.31 0.00 0.00 -1.26 -5.05 105.19 105.09 1ir1 n GLY 92 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1ir1 n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ir1 s GLU 93 N -0.51 1.22 -0.20 1.61 0.41 -1.16 -5.13 118.70 114.93 1ir1 s GLU 93 Ca 0.00 -1.45 -0.10 0.00 -0.41 0.00 0.00 54.97 53.01 1ir1 s GLU 93 Cb 0.00 -1.07 -0.05 0.00 -1.78 0.00 0.00 34.13 31.23 1ir1 s GLU 93 CO 0.00 0.19 0.14 -1.21 -0.49 0.00 0.00 175.26 173.89 1ir1 s GLU 94 N -3.21 4.19 -1.44 1.61 2.02 -1.26 -4.55 118.70 116.06 1ir1 s GLU 94 Ca 0.17 -0.21 -0.01 0.00 0.02 0.00 0.00 54.97 54.95 1ir1 s GLU 94 Cb -0.03 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1ir1 s GLU 94 CO 0.05 0.30 0.30 -1.71 0.02 0.00 0.00 175.26 174.22 1ir1 n ASN 95 N 3.52 0.01 -4.12 -0.19 4.05 -1.26 -4.97 115.26 112.29 1ir1 n ASN 95 Ca -0.16 -1.09 -0.22 0.00 0.45 0.00 0.00 54.58 53.56 1ir1 n ASN 95 Cb 0.52 -2.61 -0.15 0.00 1.23 0.00 0.00 39.78 38.78 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 -6.80 1.09 0.04 1.20 0.74 -1.26 -4.12 119.66 110.54 1ir1 s GLN 96 Ca 0.01 -0.58 -0.02 0.00 0.05 0.00 0.00 55.36 54.82 1ir1 s GLN 96 Cb -0.00 -1.07 -0.03 0.00 1.10 0.00 0.00 33.01 33.01 1ir1 s GLN 96 CO 0.92 0.29 -0.01 0.71 -0.55 0.00 0.00 175.29 176.65 1ir1 s TYR 97 N -0.47 0.40 -0.30 1.67 1.51 0.01 -1.56 117.35 118.61 1ir1 s TYR 97 Ca 0.04 -0.84 -0.09 0.00 -1.01 0.00 0.00 57.07 55.17 1ir1 s TYR 97 Cb -0.06 -0.29 -0.01 0.00 -0.11 0.00 0.00 41.96 41.49 1ir1 s TYR 97 CO -0.00 -0.34 0.13 0.42 -1.11 0.00 0.00 175.55 174.66 1ir1 s ILE 98 N -3.12 4.48 -0.17 2.71 -1.09 -0.18 0.62 121.20 124.45 1ir1 s ILE 98 Ca -0.00 -0.43 -0.04 0.00 -2.23 0.00 0.00 60.65 57.95 1ir1 s ILE 98 Cb 0.02 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 1ir1 s ILE 98 CO -0.07 0.10 -0.03 0.00 -1.23 0.00 0.00 174.94 173.71 1ir1 s TYR 100 N 0.51 3.45 -0.03 0.00 1.51 -0.38 -1.17 117.35 121.24 1ir1 s TYR 100 Ca -0.03 0.46 0.06 0.00 -1.01 0.00 0.00 57.07 56.55 1ir1 s TYR 100 Cb -0.14 -2.23 -0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1ir1 s TYR 100 CO 0.03 0.30 -0.20 0.08 -1.11 0.00 0.00 175.55 174.64 1ir1 s VAL 101 N 0.31 1.62 -0.11 0.71 1.01 -0.08 -1.60 120.40 122.25 1ir1 s VAL 101 Ca 0.12 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1ir1 s VAL 101 Cb -0.12 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1ir1 s VAL 101 CO 0.01 0.46 -0.06 0.00 0.00 0.00 0.00 175.10 175.51 1ir1 s ALA 102 N -0.24 2.97 -0.13 5.51 0.00 0.08 -0.55 121.76 129.40 1ir1 s ALA 102 Ca 0.02 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1ir1 s ALA 102 Cb -0.10 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.65 1ir1 s ALA 102 CO 0.01 0.39 -0.20 0.71 0.00 0.00 0.00 175.76 176.67 1ir1 s TYR 103 N -0.21 2.48 0.55 0.00 2.02 0.36 -1.23 117.35 121.32 1ir1 s TYR 103 Ca 0.03 -1.22 -0.21 0.00 -0.37 0.00 0.00 57.07 55.30 1ir1 s TYR 103 Cb -0.13 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 1ir1 s TYR 103 CO 0.03 -0.57 1.26 -2.14 -1.57 0.00 0.00 175.55 172.55 1ir1 s PRO 104 N 0.85 3.15 0.39 -1.71 0.02 -1.26 -0.43 135.00 136.01 1ir1 s PRO 104 Ca -0.07 1.98 0.12 0.00 0.02 0.00 0.00 61.00 63.05 1ir1 s PRO 104 Cb -0.15 -2.13 0.93 0.00 0.02 0.00 0.00 34.50 33.17 1ir1 s PRO 104 CO -0.02 -1.10 1.88 1.25 -0.33 0.00 0.00 177.00 178.69 1ir1 h LEU 105 N 1.29 0.53 -2.28 -5.54 5.85 -1.93 -2.45 115.31 110.78 1ir1 h LEU 105 Ca -0.50 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ir1 h LEU 105 Cb 1.29 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1ir1 h LEU 105 CO 0.57 0.26 0.00 0.44 -0.34 0.00 0.00 178.44 179.37 1ir1 h ASP 106 N 0.56 0.00 1.04 1.25 5.19 -1.91 -2.88 116.42 119.67 1ir1 h ASP 106 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1ir1 h ASP 106 Cb 0.83 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1ir1 h ASP 106 CO -0.17 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.13 1ir1 n LEU 107 N -2.76 0.33 -4.64 1.55 4.77 -0.92 -4.87 117.00 110.46 1ir1 n LEU 107 Ca -0.02 0.54 -0.33 0.00 -0.03 0.00 0.00 56.01 56.17 1ir1 n LEU 107 Cb 0.08 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1ir1 n LEU 107 CO 0.17 -0.16 -0.35 -0.36 -1.33 0.00 0.00 177.39 175.36 1ir1 s PHE 108 N -3.07 3.01 0.06 -1.77 0.08 -1.09 -5.02 117.98 110.18 1ir1 s PHE 108 Ca 0.11 0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.92 1ir1 s PHE 108 Cb 0.14 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.86 1ir1 s PHE 108 CO 0.49 0.41 0.95 -2.00 -0.10 0.00 0.00 175.22 174.98 1ir1 s GLU 109 N -1.24 4.62 0.30 0.44 2.12 -1.26 -4.98 118.70 118.70 1ir1 s GLU 109 Ca 0.16 1.40 -0.30 0.00 0.36 0.00 0.00 54.97 56.59 1ir1 s GLU 109 Cb -0.11 -3.41 -0.12 0.00 0.26 0.00 0.00 34.13 30.75 1ir1 s GLU 109 CO 0.06 0.11 1.54 0.39 -0.54 0.00 0.00 175.26 176.82 1ir1 n GLU 110 N 3.26 2.58 -1.34 4.30 4.71 -1.26 -2.81 120.64 130.09 1ir1 n GLU 110 Ca 0.03 0.92 -0.12 0.00 -0.01 0.00 0.00 57.16 57.98 1ir1 n GLU 110 Cb 0.50 -2.67 -0.05 0.00 -1.01 0.00 0.00 31.44 28.22 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 1.83 1.18 3.03 0.62 0.00 -1.22 -4.98 105.19 105.65 1ir1 n GLY 111 Ca 0.08 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.56 4.83 0.34 1.61 0.15 -1.12 -4.93 113.70 112.00 1ir1 s SER 112 Ca 0.00 -2.16 0.04 0.00 0.70 0.00 0.00 55.95 54.53 1ir1 s SER 112 Cb 0.00 -1.66 0.60 0.00 -1.71 0.00 0.00 66.02 63.25 1ir1 s SER 112 CO 0.00 -0.40 1.87 0.58 1.20 0.00 0.00 173.24 176.49 1ir1 h VAL 113 N 6.55 1.20 -0.67 4.45 2.07 -1.94 -2.45 116.25 125.46 1ir1 h VAL 113 Ca -0.05 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.75 1ir1 h VAL 113 Cb 1.02 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1ir1 h VAL 113 CO 0.55 0.27 0.34 0.74 0.02 0.00 0.00 177.57 179.49 1ir1 h THR 114 N 0.50 0.90 -0.34 2.57 2.02 -1.91 -1.83 112.91 114.82 1ir1 h THR 114 Ca 0.11 -0.21 -0.17 0.00 0.77 0.00 0.00 66.41 66.91 1ir1 h THR 114 Cb 0.34 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1ir1 h THR 114 CO 0.01 0.11 -0.44 -1.13 0.37 0.00 0.00 175.52 174.44 1ir1 h ASN 115 N 0.62 0.94 -0.49 4.18 -0.73 -1.81 -2.21 115.58 116.07 1ir1 h ASN 115 Ca 0.31 -0.46 0.02 0.00 1.87 0.00 0.00 56.30 58.05 1ir1 h ASN 115 Cb 0.27 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1ir1 h ASN 115 CO -0.22 1.24 0.30 -0.03 -0.37 0.00 0.00 177.43 178.35 1ir1 h MET 116 N 0.70 0.58 -0.11 6.67 4.05 -1.03 -2.53 114.93 123.25 1ir1 h MET 116 Ca 0.04 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.28 1ir1 h MET 116 Cb 1.03 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 1ir1 h MET 116 CO 0.10 0.38 -0.58 0.74 0.23 0.00 0.00 176.91 177.79 1ir1 h PHE 117 N 0.59 0.43 -0.96 1.39 0.04 -1.36 -2.71 116.94 114.37 1ir1 h PHE 117 Ca 0.20 -0.16 0.09 0.00 2.80 0.00 0.00 57.97 60.90 1ir1 h PHE 117 Cb 0.01 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.01 1ir1 h PHE 117 CO -0.06 0.84 0.61 1.15 -0.60 0.00 0.00 178.31 180.25 1ir1 h THR 118 N 0.26 1.01 0.12 -1.55 2.02 -0.98 -0.03 112.91 113.75 1ir1 h THR 118 Ca -0.00 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1ir1 h THR 118 Cb 1.09 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1ir1 h THR 118 CO 0.10 0.19 -0.06 0.28 0.37 0.00 0.00 175.52 176.39 1ir1 h SER 119 N 1.02 -0.14 -0.94 4.18 0.02 -1.43 -2.60 113.55 113.66 1ir1 h SER 119 Ca 0.44 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.46 1ir1 h SER 119 Cb 0.33 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.84 1ir1 h SER 119 CO -0.19 0.17 0.60 0.40 -1.14 0.00 0.00 176.83 176.66 1ir1 h ILE 120 N -0.69 1.06 0.00 3.27 2.04 -1.44 -3.19 117.51 118.56 1ir1 h ILE 120 Ca -0.02 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1ir1 h ILE 120 Cb 0.12 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1ir1 h ILE 120 CO 0.03 0.20 -0.10 1.33 0.00 0.00 0.00 178.15 179.61 1ir1 n VAL 121 N -4.56 1.74 0.40 1.67 0.24 -0.04 -4.84 118.33 112.94 1ir1 n VAL 121 Ca 0.14 -2.15 -0.16 0.00 -2.04 0.00 0.00 64.34 60.13 1ir1 n VAL 121 Cb 0.18 -0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 32.31 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 -1.09 0.00 7.63 0.00 -1.30 -3.43 103.07 104.98 1ir1 h GLY 122 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1ir1 h GLY 122 CO 0.00 -0.39 -0.86 0.70 0.00 0.00 0.00 176.54 175.99 1ir1 n ASN 123 N -5.37 4.30 0.32 0.19 3.02 -1.26 -4.84 115.26 111.62 1ir1 n ASN 123 Ca -0.13 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.62 1ir1 n ASN 123 Cb 0.41 0.83 1.09 0.00 -0.61 0.00 0.00 39.78 41.49 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 0.19 0.00 2.41 -1.51 -1.83 -2.67 116.25 112.84 1ir1 h VAL 124 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ir1 h VAL 124 Cb 0.06 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1ir1 h VAL 124 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 1ir1 n PHE 125 N -3.35 0.75 0.37 5.19 3.01 -1.26 -3.17 117.46 119.00 1ir1 n PHE 125 Ca -0.03 0.26 0.12 0.00 1.01 0.00 0.00 57.45 58.81 1ir1 n PHE 125 Cb 0.11 -0.93 0.20 0.00 -0.01 0.00 0.00 39.48 38.85 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 0.48 1.63 3.73 1.37 0.00 -1.00 -4.82 105.19 106.57 1ir1 n GLY 126 Ca 0.04 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1ir1 n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ir1 s PHE 127 N -1.52 2.89 0.44 1.61 0.40 -1.19 -4.88 117.98 115.73 1ir1 s PHE 127 Ca 0.37 0.44 0.10 0.00 -0.60 0.00 0.00 56.93 57.24 1ir1 s PHE 127 Cb 0.22 -4.11 0.98 0.00 0.51 0.00 0.00 43.02 40.62 1ir1 s PHE 127 CO 0.31 -4.13 2.07 0.87 0.70 0.00 0.00 175.22 175.04 1ir1 h LYS 128 N 6.43 0.33 0.00 0.44 1.57 -1.94 -2.05 116.57 121.36 1ir1 h LYS 128 Ca -0.44 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1ir1 h LYS 128 Cb 1.20 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1ir1 h LYS 128 CO 0.92 0.24 0.00 0.00 -0.57 0.00 0.00 179.45 180.05 1ir1 n ALA 129 N -2.50 1.65 -2.46 3.86 0.00 -1.26 -4.68 120.51 115.12 1ir1 n ALA 129 Ca 0.01 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1ir1 n ALA 129 Cb 0.09 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.75 2.60 -0.11 0.00 1.43 -0.77 -1.45 118.68 117.63 1ir1 s LEU 130 Ca 0.09 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1ir1 s LEU 130 Cb 0.08 -1.49 -0.25 0.00 0.03 0.00 0.00 46.19 44.56 1ir1 s LEU 130 CO 0.20 0.22 0.40 0.54 0.23 0.00 0.00 176.35 177.94 1ir1 n ARG 131 N 1.24 0.71 -3.45 1.70 1.74 0.91 -4.76 116.66 114.75 1ir1 n ARG 131 Ca -0.16 0.26 -0.12 0.00 -0.77 0.00 0.00 57.85 57.05 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 -1.55 -0.19 7.54 0.00 -1.10 -5.04 121.76 118.86 1ir1 s ALA 132 Ca -0.18 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.12 1ir1 s ALA 132 Cb 0.07 0.81 0.05 0.00 0.00 0.00 0.00 23.12 24.05 1ir1 s ALA 132 CO 0.78 -0.73 0.51 -1.17 0.00 0.00 0.00 175.76 175.14 1ir1 s LEU 133 N -2.64 -0.05 -0.04 0.00 2.96 -1.21 -2.02 118.68 115.68 1ir1 s LEU 133 Ca 0.00 1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.94 1ir1 s LEU 133 Cb -0.01 1.73 0.03 0.00 0.50 0.00 0.00 46.19 48.44 1ir1 s LEU 133 CO -0.11 -0.18 0.08 -0.60 -1.32 0.00 0.00 176.35 174.21 1ir1 s ARG 134 N 0.56 0.03 -0.38 1.98 3.52 -0.69 -1.39 118.95 122.58 1ir1 s ARG 134 Ca -0.02 0.23 -0.20 0.00 -0.13 0.00 0.00 55.73 55.60 1ir1 s ARG 134 Cb -0.04 -0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.19 1ir1 s ARG 134 CO -0.03 -0.13 0.64 -1.17 -0.81 0.00 0.00 175.30 173.80 1ir1 s LEU 135 N 0.88 4.32 -0.13 -0.88 2.96 -0.16 0.41 118.68 126.08 1ir1 s LEU 135 Ca -0.07 0.00 -0.18 0.00 -0.22 0.00 0.00 54.13 53.66 1ir1 s LEU 135 Cb -0.10 -2.77 -0.26 0.00 0.50 0.00 0.00 46.19 43.57 1ir1 s LEU 135 CO -0.03 -0.65 0.52 -0.33 -1.32 0.00 0.00 176.35 174.53 1ir1 h GLU 136 N 8.59 0.17 -3.79 1.98 4.39 -1.37 -1.13 114.58 123.43 1ir1 h GLU 136 Ca -0.26 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.06 1ir1 h GLU 136 Cb 1.11 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.75 1ir1 h GLU 136 CO 0.85 1.14 -0.23 0.34 -1.16 0.00 0.00 179.01 179.95 1ir1 s ASP 137 N -6.91 -0.03 -0.07 1.42 -1.08 -1.21 -4.53 116.67 104.26 1ir1 s ASP 137 Ca -0.21 -0.88 -0.03 0.00 -0.52 0.00 0.00 52.55 50.91 1ir1 s ASP 137 Cb 0.04 0.50 0.04 0.00 -1.46 0.00 0.00 42.92 42.04 1ir1 s ASP 137 CO 0.72 -0.99 0.16 -0.22 0.52 0.00 0.00 175.17 175.37 1ir1 s LEU 138 N -2.99 0.69 -0.49 -1.34 2.96 -1.26 -1.97 118.68 114.28 1ir1 s LEU 138 Ca 0.19 0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 54.28 1ir1 s LEU 138 Cb 0.02 0.42 0.08 0.00 0.50 0.00 0.00 46.19 47.21 1ir1 s LEU 138 CO 0.03 -0.15 0.45 -0.60 -1.32 0.00 0.00 176.35 174.76 1ir1 s ARG 139 N 1.16 3.00 -0.37 1.98 3.00 0.11 -4.95 118.95 122.88 1ir1 s ARG 139 Ca -0.09 -1.37 -0.20 0.00 -1.00 0.00 0.00 55.73 53.07 1ir1 s ARG 139 Cb -0.11 -4.16 0.01 0.00 0.00 0.00 0.00 34.95 30.68 1ir1 s ARG 139 CO -0.06 -1.12 0.64 0.42 0.00 0.00 0.00 175.30 175.18 1ir1 s ILE 140 N 1.77 4.88 0.56 4.11 1.01 -1.26 -2.15 121.20 130.11 1ir1 s ILE 140 Ca 0.05 0.52 -0.21 0.00 0.00 0.00 0.00 60.65 61.01 1ir1 s ILE 140 Cb -0.25 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1ir1 s ILE 140 CO 0.06 -0.36 1.32 -2.16 0.00 0.00 0.00 174.94 173.80 1ir1 s PRO 141 N 2.73 3.06 0.45 2.79 0.04 -1.26 -4.70 135.00 138.11 1ir1 s PRO 141 Ca 0.24 2.13 0.11 0.00 0.04 0.00 0.00 61.00 63.52 1ir1 s PRO 141 Cb -0.14 -2.16 1.01 0.00 0.04 0.00 0.00 34.50 33.25 1ir1 s PRO 141 CO 0.16 -1.22 2.06 -0.39 0.04 0.00 0.00 177.00 177.65 1ir1 h VAL 142 N 1.25 1.02 -0.03 -0.36 -1.51 -1.84 -1.09 116.25 113.69 1ir1 h VAL 142 Ca -0.51 -0.13 -0.03 0.00 -1.23 0.00 0.00 66.70 64.80 1ir1 h VAL 142 Cb 1.30 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 1ir1 h VAL 142 CO 0.56 0.07 -0.13 0.00 -1.23 0.00 0.00 177.57 176.85 1ir1 h ALA 143 N 1.79 1.74 0.10 5.19 0.00 -1.91 -1.94 119.26 124.24 1ir1 h ALA 143 Ca 0.14 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 1ir1 h ALA 143 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ir1 h ALA 143 CO -0.03 0.20 -1.58 -0.92 0.00 0.00 0.00 179.25 176.91 1ir1 h TYR 144 N 0.04 0.39 -0.87 0.00 3.20 -1.60 -3.33 116.97 114.81 1ir1 h TYR 144 Ca 0.01 -0.29 0.05 0.00 3.14 0.00 0.00 58.73 61.64 1ir1 h TYR 144 Cb 0.25 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 1ir1 h TYR 144 CO 0.00 1.37 0.57 0.28 -1.64 0.00 0.00 178.16 178.74 1ir1 h VAL 145 N 0.06 1.10 0.00 1.81 2.07 -0.95 -1.55 116.25 118.79 1ir1 h VAL 145 Ca -0.26 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1ir1 h VAL 145 Cb 2.01 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1ir1 h VAL 145 CO 0.14 0.19 0.00 0.29 0.02 0.00 0.00 177.57 178.21 1ir1 n LYS 146 N -4.47 0.10 0.00 1.57 4.76 -0.76 -2.12 118.16 117.25 1ir1 n LYS 146 Ca 0.12 0.22 0.14 0.00 -2.87 0.00 0.00 58.31 55.92 1ir1 n LYS 146 Cb 0.16 -1.50 0.48 0.00 -1.84 0.00 0.00 35.03 32.32 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 -1.36 0.00 -4.17 -0.18 -2.24 -0.58 -4.89 114.28 100.86 1ir1 n THR 147 Ca 0.04 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 1ir1 n THR 147 Cb 0.11 0.49 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.14 2.94 0.02 4.78 0.40 -0.90 -3.39 117.98 119.70 1ir1 s PHE 148 Ca 0.34 -0.10 -0.18 0.00 -0.60 0.00 0.00 56.93 56.40 1ir1 s PHE 148 Cb 0.20 -1.42 -0.26 0.00 0.51 0.00 0.00 43.02 42.05 1ir1 s PHE 148 CO 0.39 0.52 1.09 0.37 0.70 0.00 0.00 175.22 178.28 1ir1 h GLN 149 N 2.64 0.52 0.00 0.44 4.15 -1.87 -3.50 115.11 117.48 1ir1 h GLN 149 Ca -0.47 -0.63 0.00 0.00 0.77 0.00 0.00 58.65 58.32 1ir1 h GLN 149 Cb 1.20 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1ir1 h GLN 149 CO 0.60 1.25 0.00 0.41 -1.93 0.00 0.00 178.83 179.16 1ir1 n GLY 150 N 1.25 -1.70 3.67 2.39 0.00 -1.03 -4.89 105.19 104.87 1ir1 n GLY 150 Ca -0.12 -1.49 -0.43 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 1.91 -0.11 1.61 -0.02 -1.24 -4.18 135.00 132.96 1ir1 n PRO 151 Ca 0.00 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 1ir1 n PRO 151 Cb 0.00 -2.20 0.43 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.59 0.56 0.00 0.52 0.11 -1.83 -3.41 132.00 130.54 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 32.28 1ir1 h PRO 152 CO 0.63 0.37 -0.11 0.72 -0.21 0.00 0.00 178.00 179.41 1ir1 n HIS 153 N -4.48 -1.18 0.00 0.65 8.25 -1.26 -4.74 115.22 112.46 1ir1 n HIS 153 Ca 0.09 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1ir1 n HIS 153 Cb 0.27 0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 2.05 0.52 0.34 -1.41 0.00 -1.26 -4.42 105.19 101.02 1ir1 n GLY 154 Ca 0.00 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 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 0.21 0.51 -0.61 2.04 -1.76 -0.78 117.51 117.12 1ir1 h ILE 155 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ir1 h ILE 155 Cb 0.00 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1ir1 h ILE 155 CO 0.00 0.00 -0.39 -0.61 0.00 0.00 0.00 178.15 177.15 1ir1 h GLN 156 N -0.25 -0.85 -0.80 2.37 4.15 -1.90 -2.13 115.11 115.70 1ir1 h GLN 156 Ca 0.18 0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.67 1ir1 h GLN 156 Cb 0.55 0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 1ir1 h GLN 156 CO -0.56 -0.57 0.53 0.28 -1.93 0.00 0.00 178.83 176.58 1ir1 h VAL 157 N -0.88 1.18 -0.14 2.39 2.07 -1.74 -1.88 116.25 117.25 1ir1 h VAL 157 Ca -0.06 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1ir1 h VAL 157 Cb 0.75 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1ir1 h VAL 157 CO 0.01 0.19 0.05 -0.08 0.02 0.00 0.00 177.57 177.76 1ir1 h GLU 158 N 1.06 0.21 -0.75 1.57 4.81 -1.01 0.11 114.58 120.57 1ir1 h GLU 158 Ca 0.30 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1ir1 h GLU 158 Cb -0.07 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 1ir1 h GLU 158 CO -0.07 0.31 0.47 0.00 -0.73 0.00 0.00 179.01 178.99 1ir1 h ARG 159 N 0.06 1.00 -0.24 1.92 3.08 -1.09 -1.46 114.38 117.65 1ir1 h ARG 159 Ca 0.05 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1ir1 h ARG 159 Cb 0.18 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1ir1 h ARG 159 CO -0.00 0.68 -0.44 -0.44 -1.07 0.00 0.00 179.97 178.70 1ir1 h ASP 160 N 1.02 0.65 -0.27 7.04 3.32 -1.04 0.12 116.42 127.26 1ir1 h ASP 160 Ca 0.27 -0.30 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 1ir1 h ASP 160 Cb -0.08 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1ir1 h ASP 160 CO -0.05 1.00 -0.40 0.11 -1.72 0.00 0.00 179.24 178.18 1ir1 h LYS 161 N 0.49 0.75 -0.00 3.56 1.79 -0.53 -3.22 116.57 119.41 1ir1 h LYS 161 Ca 0.03 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1ir1 h LYS 161 Cb 0.96 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1ir1 h LYS 161 CO 0.09 1.07 -0.34 1.28 -1.08 0.00 0.00 179.45 180.46 1ir1 n LEU 162 N -4.17 0.41 -3.51 2.94 4.77 -0.59 -4.96 117.00 111.88 1ir1 n LEU 162 Ca -0.04 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.84 1ir1 n LEU 162 Cb 0.54 -0.30 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1ir1 n LEU 162 CO 0.47 0.10 0.14 -3.20 -1.33 0.00 0.00 177.39 173.57 1ir1 n ASN 163 N -1.42 -3.42 -4.06 -1.43 5.15 0.36 -4.65 115.26 105.80 1ir1 n ASN 163 Ca 0.07 -0.61 -0.29 0.00 -0.60 0.00 0.00 54.58 53.14 1ir1 n ASN 163 Cb 0.33 -5.00 -0.17 0.00 -0.53 0.00 0.00 39.78 34.42 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 -5.73 2.30 0.08 1.20 1.02 -0.86 -5.01 119.74 112.74 1ir1 s LYS 164 Ca 0.20 -0.59 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 1ir1 s LYS 164 Cb -0.09 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 1ir1 s LYS 164 CO 0.74 -0.08 0.20 0.71 -0.92 0.00 0.00 175.35 176.00 1ir1 s TYR 165 N 1.02 0.11 -0.02 3.18 2.02 -1.26 -4.69 117.35 117.72 1ir1 s TYR 165 Ca -0.05 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1ir1 s TYR 165 Cb -0.15 -0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.37 1ir1 s TYR 165 CO -0.03 -0.53 0.00 0.41 -1.57 0.00 0.00 175.55 173.84 1ir1 n GLY 166 N 0.09 0.47 3.56 0.71 0.00 -1.26 -5.01 105.19 103.74 1ir1 n GLY 166 Ca -0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.36 0.72 0.71 1.61 1.70 -1.26 -5.01 118.95 117.06 1ir1 s ARG 167 Ca 0.00 -0.29 -0.14 0.00 -0.47 0.00 0.00 55.73 54.83 1ir1 s ARG 167 Cb 0.00 0.31 0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1ir1 s ARG 167 CO 0.00 -0.32 1.14 -2.14 -1.08 0.00 0.00 175.30 172.90 1ir1 s PRO 168 N -2.94 2.40 0.41 3.89 0.02 -1.18 -4.77 135.00 132.82 1ir1 s PRO 168 Ca 0.07 1.47 -0.04 0.00 0.02 0.00 0.00 61.00 62.52 1ir1 s PRO 168 Cb -0.01 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1ir1 s PRO 168 CO -0.06 -1.58 0.69 -0.51 -0.33 0.00 0.00 177.00 175.21 1ir1 s LEU 169 N -5.23 3.81 -0.11 -5.54 1.43 -0.34 -4.94 118.68 107.77 1ir1 s LEU 169 Ca 0.68 0.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.62 1ir1 s LEU 169 Cb -0.22 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1ir1 s LEU 169 CO 0.46 -0.43 -0.23 -0.76 0.23 0.00 0.00 176.35 175.62 1ir1 s LEU 170 N -4.34 2.14 0.00 1.79 1.43 -1.26 -1.08 118.68 117.36 1ir1 s LEU 170 Ca 0.45 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1ir1 s LEU 170 Cb -0.10 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1ir1 s LEU 170 CO 0.39 0.14 0.05 0.61 0.23 0.00 0.00 176.35 177.77 1ir1 n GLY 171 N 3.63 3.63 3.65 -3.19 0.00 0.09 -1.16 105.19 111.84 1ir1 n GLY 171 Ca -0.19 -2.19 -0.01 0.00 0.00 0.00 0.00 46.02 43.63 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 1.27 5.16 0.38 0.00 2.01 -1.26 -4.30 115.64 118.90 1ir1 s THR 173 Ca -0.09 1.02 -0.26 0.00 0.31 0.00 0.00 61.69 62.67 1ir1 s THR 173 Cb -0.03 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1ir1 s THR 173 CO -0.14 0.30 1.22 -0.63 -0.69 0.00 0.00 174.62 174.68 1ir1 s ILE 174 N 0.78 2.96 0.09 1.82 -1.09 -1.26 -4.42 121.20 120.07 1ir1 s ILE 174 Ca 0.27 0.85 0.03 0.00 -2.23 0.00 0.00 60.65 59.57 1ir1 s ILE 174 Cb -0.15 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1ir1 s ILE 174 CO 0.11 0.12 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.32 1ir1 s LYS 175 N -2.15 0.80 0.77 2.79 -0.14 -1.26 -4.35 119.74 116.20 1ir1 s LYS 175 Ca 0.55 -1.17 -0.13 0.00 -1.36 0.00 0.00 55.97 53.86 1ir1 s LYS 175 Cb -0.34 -0.39 0.06 0.00 -1.68 0.00 0.00 37.83 35.48 1ir1 s LYS 175 CO 0.44 0.04 1.16 -1.25 -0.76 0.00 0.00 175.35 174.98 1ir1 s PRO 176 N -2.99 2.00 0.16 -1.68 0.04 -1.26 -5.06 135.00 126.21 1ir1 s PRO 176 Ca 0.06 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.40 1ir1 s PRO 176 Cb -0.01 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1ir1 s PRO 176 CO -0.01 -1.90 1.57 0.87 0.04 0.00 0.00 177.00 177.56 1ir1 h LYS 177 N -0.75 -0.24 -5.63 4.56 1.57 -1.99 -3.43 116.57 110.67 1ir1 h LYS 177 Ca -0.46 0.02 -0.48 0.00 -1.87 0.00 0.00 60.65 57.86 1ir1 h LYS 177 Cb 1.27 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 1ir1 h LYS 177 CO 0.49 -0.16 -0.72 -0.51 -0.57 0.00 0.00 179.45 177.97 1ir1 s LEU 178 N -10.56 2.54 0.00 2.94 1.43 -1.26 -4.75 118.68 109.02 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 0.13 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.63 1ir1 s LEU 178 CO 0.66 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1ir1 n GLY 179 N -0.46 2.01 3.85 -3.19 0.00 -1.26 -5.10 105.19 101.04 1ir1 n GLY 179 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 4.25 0.70 0.99 1.43 -1.26 -5.03 118.68 119.75 1ir1 s LEU 180 Ca 0.00 1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 1ir1 s LEU 180 Cb 0.00 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.67 1ir1 s LEU 180 CO 0.00 -0.00 1.09 -0.94 0.23 0.00 0.00 176.35 176.73 1ir1 s SER 181 N -1.97 5.49 0.20 2.29 1.04 -1.26 -4.51 113.70 114.98 1ir1 s SER 181 Ca 0.44 1.14 -0.11 0.00 0.48 0.00 0.00 55.95 57.90 1ir1 s SER 181 Cb -0.13 -1.95 0.18 0.00 0.10 0.00 0.00 66.02 64.21 1ir1 s SER 181 CO 0.20 -1.31 1.82 0.00 0.98 0.00 0.00 173.24 174.92 1ir1 h ALA 182 N -0.63 0.82 -0.58 5.32 0.00 -1.93 -0.68 119.26 121.58 1ir1 h ALA 182 Ca -0.45 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1ir1 h ALA 182 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1ir1 h ALA 182 CO 0.64 0.08 0.04 -0.22 0.00 0.00 0.00 179.25 179.79 1ir1 h LYS 183 N 0.71 1.00 0.00 0.00 3.64 -1.93 -2.30 116.57 117.68 1ir1 h LYS 183 Ca 0.26 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1ir1 h LYS 183 Cb 0.09 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1ir1 h LYS 183 CO -0.13 0.97 -0.39 -0.91 -2.27 0.00 0.00 179.45 176.72 1ir1 h ASN 184 N 0.90 0.00 -0.24 4.20 2.35 -1.86 -1.87 115.58 119.05 1ir1 h ASN 184 Ca 0.17 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1ir1 h ASN 184 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1ir1 h ASN 184 CO 0.02 0.39 0.05 0.22 -1.65 0.00 0.00 177.43 176.46 1ir1 h TYR 185 N 0.00 0.41 -0.05 1.19 3.20 -0.81 -1.16 116.97 119.76 1ir1 h TYR 185 Ca -0.00 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.74 1ir1 h TYR 185 Cb 0.70 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1ir1 h TYR 185 CO 0.00 0.49 -0.30 0.78 -1.64 0.00 0.00 178.16 177.49 1ir1 h GLY 186 N 0.21 0.10 0.80 1.82 0.00 -1.19 -1.08 103.07 103.74 1ir1 h GLY 186 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1ir1 h GLY 186 CO 0.00 0.07 0.02 -0.09 0.00 0.00 0.00 176.54 176.54 1ir1 h ARG 187 N 0.09 0.19 -0.86 4.80 2.43 -1.03 -1.36 114.38 118.63 1ir1 h ARG 187 Ca 0.01 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1ir1 h ARG 187 Cb 0.58 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1ir1 h ARG 187 CO 0.04 0.39 0.47 0.00 -1.51 0.00 0.00 179.97 179.36 1ir1 h ALA 188 N 0.80 1.10 -0.13 2.80 0.00 -0.91 -2.68 119.26 120.25 1ir1 h ALA 188 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ir1 h ALA 188 Cb 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ir1 h ALA 188 CO 0.00 0.61 0.05 0.28 0.00 0.00 0.00 179.25 180.20 1ir1 h VAL 189 N 1.20 1.14 -0.43 0.00 2.07 -1.02 -2.10 116.25 117.12 1ir1 h VAL 189 Ca 0.30 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1ir1 h VAL 189 Cb 0.03 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1ir1 h VAL 189 CO -0.05 0.13 0.23 0.22 0.02 0.00 0.00 177.57 178.12 1ir1 h TYR 190 N 0.06 0.42 -0.55 1.57 3.20 -1.13 -1.11 116.97 119.43 1ir1 h TYR 190 Ca 0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1ir1 h TYR 190 Cb 0.16 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1ir1 h TYR 190 CO -0.02 0.23 0.22 0.93 -1.64 0.00 0.00 178.16 177.88 1ir1 h GLU 191 N 0.46 0.80 0.05 1.82 4.39 -1.41 -1.48 114.58 119.20 1ir1 h GLU 191 Ca 0.18 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1ir1 h GLU 191 Cb 0.06 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1ir1 h GLU 191 CO -0.11 0.65 -0.03 0.00 -1.16 0.00 0.00 179.01 178.37 1ir1 h LEU 193 N -0.57 1.02 -1.54 0.00 3.38 -1.14 -2.64 115.31 113.83 1ir1 h LEU 193 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ir1 h LEU 193 Cb 0.50 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ir1 h LEU 193 CO 0.01 0.86 0.00 0.08 0.09 0.00 0.00 178.44 179.48 1ir1 h ARG 194 N 1.12 0.00 -0.01 1.13 0.11 -1.35 -2.75 114.38 112.63 1ir1 h ARG 194 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1ir1 h ARG 194 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1ir1 h ARG 194 CO -0.04 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.44 1ir1 n GLY 195 N -0.39 -0.36 0.00 0.08 0.00 -0.99 -4.91 105.19 98.62 1ir1 n GLY 195 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.11 1.20 3.78 -0.02 0.00 -1.04 -2.09 105.19 108.12 1ir1 n GLY 196 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 4.40 0.06 0.99 1.43 -1.24 -4.83 118.68 119.48 1ir1 s LEU 197 Ca 0.00 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 1ir1 s LEU 197 Cb 0.00 -3.92 -0.30 0.00 0.03 0.00 0.00 46.19 42.00 1ir1 s LEU 197 CO 0.00 -0.02 1.09 0.44 0.23 0.00 0.00 176.35 178.09 1ir1 h ASP 198 N 3.36 0.73 -4.66 2.29 3.32 -1.50 -3.43 116.42 116.53 1ir1 h ASP 198 Ca -0.47 -0.73 -0.24 0.00 0.02 0.00 0.00 57.03 55.62 1ir1 h ASP 198 Cb 1.19 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.36 1ir1 h ASP 198 CO 0.65 1.55 -0.68 -0.36 -1.72 0.00 0.00 179.24 178.69 1ir1 s PHE 199 N -2.79 0.98 0.00 4.55 0.08 -0.31 -2.25 117.98 118.24 1ir1 s PHE 199 Ca -0.08 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 55.99 1ir1 s PHE 199 Cb 0.06 -0.57 0.00 0.00 -0.57 0.00 0.00 43.02 41.94 1ir1 s PHE 199 CO 0.92 -0.21 0.00 0.25 -0.10 0.00 0.00 175.22 176.08 1ir1 n THR 200 N -0.11 0.00 -3.74 0.64 -2.24 -0.99 -2.83 114.28 105.02 1ir1 n THR 200 Ca -0.10 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.35 1ir1 n THR 200 Cb 0.62 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.39 6.50 0.68 3.42 1.01 -1.08 -1.52 116.67 125.30 1ir1 s ASP 202 Ca 0.00 0.56 -0.14 0.00 0.71 0.00 0.00 52.55 53.68 1ir1 s ASP 202 Cb 0.00 -2.09 0.01 0.00 1.01 0.00 0.00 42.92 41.85 1ir1 s ASP 202 CO 0.00 0.20 1.11 -0.62 0.21 0.00 0.00 175.17 176.07 1ir1 s ASP 203 N -1.91 4.98 0.47 0.27 -1.08 -1.26 -4.88 116.67 113.25 1ir1 s ASP 203 Ca 0.31 1.98 0.21 0.00 -0.52 0.00 0.00 52.55 54.52 1ir1 s ASP 203 Cb -0.13 -2.55 1.21 0.00 -1.46 0.00 0.00 42.92 40.00 1ir1 s ASP 203 CO 0.19 -1.72 1.94 1.05 0.52 0.00 0.00 175.17 177.15 1ir1 h GLU 204 N -0.18 0.22 -0.01 4.34 9.09 -1.98 -1.01 114.58 125.05 1ir1 h GLU 204 Ca -0.46 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1ir1 h GLU 204 Cb 1.24 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1ir1 h GLU 204 CO 0.53 0.15 -0.03 0.27 0.05 0.00 0.00 179.01 179.99 1ir1 n ASN 205 N -4.43 1.37 -4.53 3.06 6.94 -1.26 -4.75 115.26 111.66 1ir1 n ASN 205 Ca 0.13 -1.40 -0.43 0.00 -0.02 0.00 0.00 54.58 52.86 1ir1 n ASN 205 Cb 0.60 0.01 -0.04 0.00 -2.36 0.00 0.00 39.78 38.00 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 -2.06 4.23 0.00 3.53 1.01 -0.39 -4.82 120.40 121.91 1ir1 s VAL 206 Ca 0.37 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1ir1 s VAL 206 Cb 0.21 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1ir1 s VAL 206 CO 0.36 -1.26 0.00 0.59 0.00 0.00 0.00 175.10 174.79 1ir1 n ASN 207 N 7.89 0.00 -3.64 3.32 5.03 -1.26 -4.74 115.26 121.86 1ir1 n ASN 207 Ca 0.03 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.35 1ir1 n ASN 207 Cb 0.48 0.00 -0.13 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 1.00 0.37 0.17 6.41 0.15 -1.26 -4.06 113.70 116.48 1ir1 s SER 208 Ca 0.00 0.55 -0.02 0.00 0.70 0.00 0.00 55.95 57.18 1ir1 s SER 208 Cb 0.00 0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 1ir1 s SER 208 CO 0.00 -0.25 0.11 -1.10 1.20 0.00 0.00 173.24 173.20 1ir1 s GLN 209 N 2.44 1.09 0.26 5.44 1.11 -0.58 -4.92 119.66 124.49 1ir1 s GLN 209 Ca 0.02 -1.52 -0.03 0.00 0.01 0.00 0.00 55.36 53.84 1ir1 s GLN 209 Cb -0.12 0.27 0.53 0.00 -1.01 0.00 0.00 33.01 32.67 1ir1 s GLN 209 CO -0.09 -0.34 1.69 -1.35 0.01 0.00 0.00 175.29 175.21 1ir1 h PRO 210 N 2.72 0.31 0.00 2.91 0.11 -2.01 -0.56 132.00 135.47 1ir1 h PRO 210 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ir1 h PRO 210 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ir1 h PRO 210 CO 0.55 0.20 0.00 0.27 -0.21 0.00 0.00 178.00 178.81 1ir1 h PHE 211 N 0.32 0.00 -0.67 0.65 -5.15 -1.96 -3.42 116.94 106.70 1ir1 h PHE 211 Ca 0.45 0.00 0.16 0.00 -0.20 0.00 0.00 57.97 58.39 1ir1 h PHE 211 Cb 0.78 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.74 1ir1 h PHE 211 CO -0.23 0.00 -0.06 1.41 -2.00 0.00 0.00 178.31 177.43 1ir1 s MET 212 N -3.32 0.38 0.31 6.09 0.00 -0.23 -4.26 119.30 118.28 1ir1 s MET 212 Ca 0.05 0.67 -0.20 0.00 0.00 0.00 0.00 55.69 56.21 1ir1 s MET 212 Cb 0.10 0.37 -0.09 0.00 0.00 0.00 0.00 34.83 35.21 1ir1 s MET 212 CO 0.46 -0.40 0.82 1.03 0.00 0.00 0.00 175.02 176.92 1ir1 s ARG 213 N 2.90 4.24 0.20 4.11 1.81 -1.18 -1.53 118.95 129.52 1ir1 s ARG 213 Ca 0.10 0.96 -0.10 0.00 -1.72 0.00 0.00 55.73 54.96 1ir1 s ARG 213 Cb -0.13 -2.60 0.25 0.00 -0.45 0.00 0.00 34.95 32.03 1ir1 s ARG 213 CO -0.16 0.22 1.76 0.11 -0.68 0.00 0.00 175.30 176.55 1ir1 h TRP 214 N 2.74 0.44 -0.54 -0.53 5.08 -1.89 -2.40 115.95 118.84 1ir1 h TRP 214 Ca -0.48 0.03 -0.06 0.00 1.08 0.00 0.00 58.89 59.46 1ir1 h TRP 214 Cb 1.18 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 27.21 1ir1 h TRP 214 CO 0.62 0.15 0.11 -0.09 -1.28 0.00 0.00 178.44 177.95 1ir1 h ARG 215 N 0.46 0.85 -0.48 0.12 2.43 -1.94 -0.50 114.38 115.31 1ir1 h ARG 215 Ca 0.29 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1ir1 h ARG 215 Cb 0.31 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1ir1 h ARG 215 CO -0.26 0.78 0.08 -0.44 -1.51 0.00 0.00 179.97 178.62 1ir1 h ASP 216 N 0.81 0.77 -0.28 -3.80 3.32 -1.91 -1.92 116.42 113.41 1ir1 h ASP 216 Ca 0.17 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1ir1 h ASP 216 Cb 0.34 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ir1 h ASP 216 CO 0.00 0.83 0.14 -0.09 -1.72 0.00 0.00 179.24 178.40 1ir1 h ARG 217 N 0.67 0.40 -0.38 3.56 2.43 -0.94 -1.86 114.38 118.25 1ir1 h ARG 217 Ca 0.15 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1ir1 h ARG 217 Cb 0.38 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1ir1 h ARG 217 CO 0.01 0.38 0.09 0.74 -1.51 0.00 0.00 179.97 179.67 1ir1 h PHE 218 N 0.32 0.15 -0.03 2.20 -1.00 -1.00 -0.18 116.94 117.39 1ir1 h PHE 218 Ca 0.10 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 1ir1 h PHE 218 Cb 0.11 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 1ir1 h PHE 218 CO -0.02 0.03 0.02 1.25 -1.61 0.00 0.00 178.31 177.97 1ir1 h LEU 219 N 0.22 0.03 -0.79 1.54 6.46 -1.17 -1.70 115.31 119.90 1ir1 h LEU 219 Ca 0.18 -0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.78 1ir1 h LEU 219 Cb 0.21 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1ir1 h LEU 219 CO -0.23 0.06 -0.41 -0.26 -0.62 0.00 0.00 178.44 176.98 1ir1 h PHE 220 N 0.00 0.49 -0.03 1.25 0.04 -1.18 -2.60 116.94 114.92 1ir1 h PHE 220 Ca 0.01 -0.14 -0.10 0.00 2.80 0.00 0.00 57.97 60.55 1ir1 h PHE 220 Cb 0.04 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1ir1 h PHE 220 CO -0.06 0.76 -0.43 0.00 -0.60 0.00 0.00 178.31 177.98 1ir1 h ALA 222 N 1.52 0.23 -0.53 0.00 0.00 -1.09 0.17 119.26 119.56 1ir1 h ALA 222 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1ir1 h ALA 222 Cb 0.78 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1ir1 h ALA 222 CO 0.06 0.04 0.30 1.49 0.00 0.00 0.00 179.25 181.14 1ir1 h GLU 223 N 0.02 0.57 0.07 0.00 4.81 -1.26 -1.58 114.58 117.21 1ir1 h GLU 223 Ca 0.04 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ir1 h GLU 223 Cb 0.55 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1ir1 h GLU 223 CO 0.02 0.38 -0.03 0.00 -0.73 0.00 0.00 179.01 178.65 1ir1 h ALA 224 N 1.26 -0.09 -0.17 2.92 0.00 -1.11 -2.15 119.26 119.92 1ir1 h ALA 224 Ca 0.22 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ir1 h ALA 224 Cb 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ir1 h ALA 224 CO -0.12 -0.52 -0.27 1.37 0.00 0.00 0.00 179.25 179.70 1ir1 h LEU 225 N -0.15 0.32 -0.77 0.00 8.10 -0.80 -1.84 115.31 120.17 1ir1 h LEU 225 Ca -0.01 -0.10 -0.13 0.00 0.11 0.00 0.00 57.88 57.75 1ir1 h LEU 225 Cb 0.12 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.24 1ir1 h LEU 225 CO 0.02 0.59 -0.58 1.88 -4.11 0.00 0.00 178.44 176.23 1ir1 h TYR 226 N 0.28 0.12 -0.26 0.17 0.05 -1.21 -1.22 116.97 114.91 1ir1 h TYR 226 Ca 0.04 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1ir1 h TYR 226 Cb 0.63 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 1ir1 h TYR 226 CO 0.01 0.66 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.45 1ir1 h LYS 227 N 0.07 0.53 -0.75 4.88 3.64 -0.99 -2.19 116.57 121.77 1ir1 h LYS 227 Ca -0.00 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1ir1 h LYS 227 Cb 1.05 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1ir1 h LYS 227 CO 0.08 0.78 0.29 0.00 -2.27 0.00 0.00 179.45 178.33 1ir1 h ALA 228 N 0.74 0.97 -0.40 5.00 0.00 -1.20 -1.59 119.26 122.77 1ir1 h ALA 228 Ca 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ir1 h ALA 228 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ir1 h ALA 228 CO 0.04 0.60 0.13 0.37 0.00 0.00 0.00 179.25 180.39 1ir1 h GLN 229 N 1.08 0.63 -0.57 0.00 4.15 -1.17 -1.59 115.11 117.63 1ir1 h GLN 229 Ca 0.25 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1ir1 h GLN 229 Cb 0.23 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 1ir1 h GLN 229 CO -0.02 0.62 0.15 0.00 -1.93 0.00 0.00 178.83 177.65 1ir1 h ALA 230 N 0.98 1.19 -0.27 3.38 0.00 -1.20 0.99 119.26 124.32 1ir1 h ALA 230 Ca 0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1ir1 h ALA 230 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ir1 h ALA 230 CO -0.00 0.56 -0.09 1.49 0.00 0.00 0.00 179.25 181.20 1ir1 h GLU 231 N 0.84 0.54 0.00 0.00 4.81 -1.06 -3.34 114.58 116.37 1ir1 h GLU 231 Ca 0.19 -0.22 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 1ir1 h GLU 231 Cb 0.29 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1ir1 h GLU 231 CO -0.00 0.77 -1.55 0.25 -0.73 0.00 0.00 179.01 177.74 1ir1 n THR 232 N -4.49 1.28 -0.80 0.32 -2.24 -0.62 -4.98 114.28 102.75 1ir1 n THR 232 Ca -0.04 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1ir1 n THR 232 Cb 0.33 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 1.45 0.78 3.55 3.38 0.00 0.34 -5.03 105.19 109.65 1ir1 n GLY 233 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.20 2.49 0.20 1.61 2.02 -1.25 -5.06 118.70 118.51 1ir1 s GLU 234 Ca 0.00 -0.73 -0.31 0.00 0.02 0.00 0.00 54.97 53.95 1ir1 s GLU 234 Cb 0.00 -2.44 -0.10 0.00 0.10 0.00 0.00 34.13 31.69 1ir1 s GLU 234 CO 0.00 0.60 1.45 0.42 0.02 0.00 0.00 175.26 177.75 1ir1 s ILE 235 N -0.91 2.82 0.31 -1.63 1.01 -1.26 -4.55 121.20 117.00 1ir1 s ILE 235 Ca 0.15 0.65 0.10 0.00 0.00 0.00 0.00 60.65 61.55 1ir1 s ILE 235 Cb -0.11 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 1ir1 s ILE 235 CO 0.05 0.08 -0.11 -0.54 0.00 0.00 0.00 174.94 174.42 1ir1 s LYS 236 N 0.25 1.84 0.03 2.79 -0.14 -1.26 -4.90 119.74 118.35 1ir1 s LYS 236 Ca 0.62 -1.81 -0.23 0.00 -1.36 0.00 0.00 55.97 53.19 1ir1 s LYS 236 Cb -0.41 -1.79 0.05 0.00 -1.68 0.00 0.00 37.83 34.00 1ir1 s LYS 236 CO 0.38 0.22 0.53 0.20 -0.76 0.00 0.00 175.35 175.92 1ir1 s GLY 237 N -3.59 -0.43 -0.09 -3.33 0.00 -0.96 -4.80 107.32 94.13 1ir1 s GLY 237 Ca 0.32 0.66 -0.01 0.00 0.00 0.00 0.00 44.72 45.68 1ir1 s GLY 237 CO 0.17 0.36 -0.00 -1.58 0.00 0.00 0.00 173.10 172.04 1ir1 s HIS 238 N -2.25 0.79 -0.47 1.90 2.46 -1.26 -2.33 115.29 114.13 1ir1 s HIS 238 Ca -0.06 -0.30 -0.27 0.00 0.47 0.00 0.00 55.06 54.90 1ir1 s HIS 238 Cb -0.01 -0.87 -0.04 0.00 -0.13 0.00 0.00 32.58 31.53 1ir1 s HIS 238 CO -0.00 -0.38 2.06 0.71 -2.47 0.00 0.00 174.74 174.66 1ir1 s TYR 239 N 1.93 1.45 -0.22 3.88 2.02 -0.57 -4.70 117.35 121.14 1ir1 s TYR 239 Ca 0.04 0.97 -0.28 0.00 -0.37 0.00 0.00 57.07 57.43 1ir1 s TYR 239 Cb -0.13 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.52 1ir1 s TYR 239 CO -0.06 -2.73 0.99 -0.51 -1.57 0.00 0.00 175.55 171.67 1ir1 s LEU 240 N 9.50 4.12 -0.20 -1.29 2.01 -1.19 -2.63 118.68 129.00 1ir1 s LEU 240 Ca 0.83 1.33 -0.29 0.00 0.01 0.00 0.00 54.13 56.01 1ir1 s LEU 240 Cb -0.19 -3.47 -0.01 0.00 0.01 0.00 0.00 46.19 42.53 1ir1 s LEU 240 CO 0.27 -0.61 1.35 0.21 1.01 0.00 0.00 176.35 178.58 1ir1 s ASN 241 N 1.21 6.79 0.00 2.29 3.84 -1.26 -0.85 114.94 126.95 1ir1 s ASN 241 Ca 0.43 1.61 0.25 0.00 0.21 0.00 0.00 52.86 55.35 1ir1 s ASN 241 Cb -0.15 -2.54 0.33 0.00 -0.55 0.00 0.00 41.25 38.34 1ir1 s ASN 241 CO 0.08 -0.91 1.33 0.00 -2.79 0.00 0.00 177.10 174.80 1ir1 n ALA 242 N 7.11 2.73 -1.66 1.71 0.00 -0.40 -4.91 120.51 125.10 1ir1 n ALA 242 Ca 0.15 -0.62 -0.47 0.00 0.00 0.00 0.00 53.44 52.50 1ir1 n ALA 242 Cb 0.45 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 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 0.77 0.02 -4.08 0.00 -1.04 -1.26 -4.40 114.28 104.29 1ir1 n THR 243 Ca 0.14 -0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.00 1ir1 n THR 243 Cb 0.52 -1.48 -0.04 0.00 -1.82 0.00 0.00 70.33 67.51 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 0.95 0.76 0.19 2.41 0.00 -1.26 -4.84 121.76 119.98 1ir1 s ALA 244 Ca 0.80 -1.52 0.08 0.00 0.00 0.00 0.00 51.96 51.32 1ir1 s ALA 244 Cb -0.70 1.14 0.05 0.00 0.00 0.00 0.00 23.12 23.61 1ir1 s ALA 244 CO 0.39 -0.80 1.43 0.78 0.00 0.00 0.00 175.76 177.56 1ir1 h GLY 245 N 2.09 0.02 -2.59 0.00 0.00 -1.95 -3.47 103.07 97.17 1ir1 h GLY 245 Ca -0.28 -0.03 -0.33 0.00 0.00 0.00 0.00 47.33 46.68 1ir1 h GLY 245 CO 0.39 0.03 -0.66 -0.51 0.00 0.00 0.00 176.54 175.78 1ir1 s THR 246 N -3.14 0.88 0.22 4.70 -4.23 -1.26 -5.04 115.64 107.77 1ir1 s THR 246 Ca -0.00 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 1ir1 s THR 246 Cb 0.11 -2.20 0.18 0.00 1.34 0.00 0.00 72.50 71.93 1ir1 s THR 246 CO 0.80 -0.43 1.84 0.00 -0.54 0.00 0.00 174.62 176.29 1ir1 h GLU 248 N 1.14 0.69 -0.32 0.00 3.07 -1.99 -0.77 114.58 116.40 1ir1 h GLU 248 Ca 0.29 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.98 1ir1 h GLU 248 Cb 0.02 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 1ir1 h GLU 248 CO -0.05 0.46 -0.31 -0.44 -1.40 0.00 0.00 179.01 177.28 1ir1 h ASP 249 N 0.71 0.70 -0.23 1.42 3.32 -1.93 -1.84 116.42 118.59 1ir1 h ASP 249 Ca 0.19 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1ir1 h ASP 249 Cb -0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1ir1 h ASP 249 CO -0.04 0.96 0.12 -0.03 -1.72 0.00 0.00 179.24 178.53 1ir1 h MET 250 N 0.58 0.32 -0.67 3.56 4.05 -0.99 -2.70 114.93 119.07 1ir1 h MET 250 Ca 0.07 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1ir1 h MET 250 Cb 0.81 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.52 1ir1 h MET 250 CO 0.07 0.31 0.39 0.52 0.23 0.00 0.00 176.91 178.43 1ir1 h MET 251 N 0.25 0.92 -0.98 0.39 2.86 -1.03 -2.33 114.93 115.01 1ir1 h MET 251 Ca 0.08 -0.09 0.13 0.00 -2.06 0.00 0.00 59.70 57.75 1ir1 h MET 251 Cb 0.09 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 31.48 1ir1 h MET 251 CO -0.01 0.68 0.62 -0.22 1.06 0.00 0.00 176.91 179.04 1ir1 h LYS 252 N 0.92 0.91 -0.03 1.72 3.64 -1.17 0.13 116.57 122.69 1ir1 h LYS 252 Ca 0.24 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.34 1ir1 h LYS 252 Cb 0.00 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1ir1 h LYS 252 CO -0.04 0.60 -0.91 0.00 -2.27 0.00 0.00 179.45 176.83 1ir1 h ARG 253 N 0.94 0.49 -0.46 1.90 3.08 -1.15 -2.85 114.38 116.33 1ir1 h ARG 253 Ca 0.49 -0.50 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1ir1 h ARG 253 Cb 0.54 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1ir1 h ARG 253 CO -0.26 1.13 -0.20 0.00 -1.07 0.00 0.00 179.97 179.57 1ir1 h ALA 254 N 0.70 0.76 -0.70 0.04 0.00 -0.82 -2.66 119.26 116.58 1ir1 h ALA 254 Ca -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1ir1 h ALA 254 Cb 1.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1ir1 h ALA 254 CO 0.16 0.66 0.35 0.28 0.00 0.00 0.00 179.25 180.71 1ir1 h VAL 255 N 0.81 1.23 -0.38 0.00 2.07 -0.77 -2.06 116.25 117.15 1ir1 h VAL 255 Ca 0.11 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 1ir1 h VAL 255 Cb 0.76 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1ir1 h VAL 255 CO 0.06 0.26 -0.17 0.15 0.02 0.00 0.00 177.57 177.89 1ir1 h PHE 256 N 0.97 0.79 -0.84 1.57 3.57 -1.41 -1.25 116.94 120.34 1ir1 h PHE 256 Ca 0.24 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1ir1 h PHE 256 Cb 0.09 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1ir1 h PHE 256 CO 0.00 0.83 0.48 0.00 -2.23 0.00 0.00 178.31 177.40 1ir1 h ALA 257 N 1.18 1.27 -0.27 2.41 0.00 -1.15 -0.76 119.26 121.93 1ir1 h ALA 257 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ir1 h ALA 257 Cb 0.65 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ir1 h ALA 257 CO 0.05 0.61 0.13 -0.09 0.00 0.00 0.00 179.25 179.94 1ir1 h ARG 258 N 1.16 0.39 -0.44 0.00 1.12 -0.75 -2.53 114.38 113.33 1ir1 h ARG 258 Ca 0.30 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1ir1 h ARG 258 Cb -0.01 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.86 1ir1 h ARG 258 CO -0.05 0.38 0.28 1.49 -3.11 0.00 0.00 179.97 178.95 1ir1 h GLU 259 N 0.31 0.58 0.00 0.20 4.81 -0.50 -1.48 114.58 118.50 1ir1 h GLU 259 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1ir1 h GLU 259 Cb 0.11 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1ir1 h GLU 259 CO -0.01 0.40 0.00 -0.07 -0.73 0.00 0.00 179.01 178.60 1ir1 h LEU 260 N 0.60 0.00 0.02 1.64 3.38 -0.75 -3.47 115.31 116.73 1ir1 h LEU 260 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ir1 h LEU 260 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ir1 h LEU 260 CO -0.03 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.10 1ir1 n GLY 261 N 0.50 0.46 3.81 0.83 0.00 -0.56 -5.03 105.19 105.21 1ir1 n GLY 261 Ca 0.03 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.92 3.88 -0.34 1.61 -7.23 -1.21 -5.01 120.40 110.19 1ir1 s VAL 262 Ca 0.00 0.72 0.23 0.00 -1.81 0.00 0.00 61.98 61.12 1ir1 s VAL 262 Cb 0.00 -3.36 0.17 0.00 0.56 0.00 0.00 36.38 33.75 1ir1 s VAL 262 CO 0.00 -0.69 1.32 1.55 -0.31 0.00 0.00 175.10 176.97 1ir1 h PRO 263 N -0.27 0.00 -3.11 4.82 0.13 -1.91 -3.46 132.00 128.20 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 32.13 1ir1 h PRO 263 CO 0.57 0.00 -0.35 -1.50 -0.23 0.00 0.00 178.00 176.49 1ir1 s ILE 264 N -3.29 0.04 0.26 -3.56 2.07 -1.26 -0.97 121.20 114.50 1ir1 s ILE 264 Ca 0.03 -0.34 0.04 0.00 -1.41 0.00 0.00 60.65 58.97 1ir1 s ILE 264 Cb 0.07 -0.51 -0.06 0.00 0.13 0.00 0.00 42.46 42.09 1ir1 s ILE 264 CO 0.73 -0.19 0.01 0.68 -1.91 0.00 0.00 174.94 174.26 1ir1 s VAL 265 N -0.81 1.13 0.20 4.00 -7.23 -0.69 -3.16 120.40 113.82 1ir1 s VAL 265 Ca -0.09 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.08 1ir1 s VAL 265 Cb -0.05 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 1ir1 s VAL 265 CO 0.02 -0.23 -0.05 0.00 -0.31 0.00 0.00 175.10 174.53 1ir1 s MET 266 N -3.86 1.23 -0.13 4.82 0.23 -0.03 -0.83 119.30 120.73 1ir1 s MET 266 Ca 0.31 -1.58 -0.15 0.00 -1.03 0.00 0.00 55.69 53.24 1ir1 s MET 266 Cb 0.06 -0.66 0.04 0.00 -1.53 0.00 0.00 34.83 32.74 1ir1 s MET 266 CO 0.11 -0.01 0.41 -1.58 -2.03 0.00 0.00 175.02 171.92 1ir1 s HIS 267 N -3.35 -0.42 -0.84 3.16 5.04 -0.45 -1.27 115.29 117.17 1ir1 s HIS 267 Ca 0.23 0.98 -0.18 0.00 -1.54 0.00 0.00 55.06 54.55 1ir1 s HIS 267 Cb 0.04 0.16 0.15 0.00 0.04 0.00 0.00 32.58 32.96 1ir1 s HIS 267 CO 0.05 -0.26 0.96 -0.51 -2.34 0.00 0.00 174.74 172.64 1ir1 s ASP 268 N -0.09 6.58 0.59 9.88 1.01 -1.26 -1.31 116.67 132.08 1ir1 s ASP 268 Ca -0.03 -2.09 0.30 0.00 0.71 0.00 0.00 52.55 51.45 1ir1 s ASP 268 Cb -0.03 -2.33 1.82 0.00 1.01 0.00 0.00 42.92 43.39 1ir1 s ASP 268 CO 0.02 -0.95 2.24 0.10 0.21 0.00 0.00 175.17 176.78 1ir1 h TYR 269 N 8.62 0.00 0.12 4.23 -0.00 -1.88 -0.16 116.97 127.91 1ir1 h TYR 269 Ca 0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 58.73 58.48 1ir1 h TYR 269 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.76 1ir1 h TYR 269 CO 1.07 0.00 -1.59 -0.07 -0.00 0.00 0.00 178.16 177.58 1ir1 h LEU 270 N 0.00 0.39 -0.30 0.10 3.38 -1.79 -1.33 115.31 115.76 1ir1 h LEU 270 Ca 0.01 -0.86 -0.16 0.00 0.09 0.00 0.00 57.88 56.96 1ir1 h LEU 270 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1ir1 h LEU 270 CO -0.00 1.69 -0.78 0.71 0.09 0.00 0.00 178.44 180.15 1ir1 h THR 271 N -0.23 1.46 0.08 0.22 1.35 -1.71 -3.23 112.91 110.86 1ir1 h THR 271 Ca -0.34 -2.74 -0.16 0.00 -0.55 0.00 0.00 66.41 62.61 1ir1 h THR 271 Cb 1.83 2.52 0.02 0.00 -1.73 0.00 0.00 68.15 70.78 1ir1 h THR 271 CO 0.06 0.76 -0.69 1.23 -0.25 0.00 0.00 175.52 176.62 1ir1 h GLY 272 N 2.65 0.37 0.00 5.82 0.00 -1.18 -3.51 103.07 107.23 1ir1 h GLY 272 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1ir1 h GLY 272 CO 0.10 0.71 0.00 0.61 0.00 0.00 0.00 176.54 177.96 1ir1 n GLY 273 N 1.41 3.04 0.28 4.60 0.00 -0.50 -4.67 105.19 109.35 1ir1 n GLY 273 Ca -0.12 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 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 0.66 -0.02 1.61 0.04 -1.88 -0.37 116.94 116.97 1ir1 h PHE 274 Ca 0.00 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1ir1 h PHE 274 Cb 0.00 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 37.96 1ir1 h PHE 274 CO 0.00 0.61 0.01 1.15 -0.60 0.00 0.00 178.31 179.47 1ir1 h THR 275 N 0.61 1.17 -0.40 -1.55 2.02 -1.92 -1.07 112.91 111.76 1ir1 h THR 275 Ca 0.13 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 1ir1 h THR 275 Cb 0.33 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1ir1 h THR 275 CO 0.01 0.13 -0.08 0.00 0.37 0.00 0.00 175.52 175.95 1ir1 h ALA 276 N 0.80 1.11 -0.62 6.16 0.00 -1.80 -2.80 119.26 122.11 1ir1 h ALA 276 Ca 0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1ir1 h ALA 276 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ir1 h ALA 276 CO -0.00 0.56 0.04 -0.97 0.00 0.00 0.00 179.25 178.88 1ir1 h ASN 277 N 0.63 1.03 0.10 0.00 -1.24 -0.85 -1.99 115.58 113.27 1ir1 h ASN 277 Ca 0.12 -0.27 -0.09 0.00 0.71 0.00 0.00 56.30 56.76 1ir1 h ASN 277 Cb 0.52 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 1ir1 h ASN 277 CO 0.03 1.06 -0.31 0.74 -1.29 0.00 0.00 177.43 177.66 1ir1 h THR 278 N 0.98 1.27 -0.18 -3.57 2.02 -1.08 0.42 112.91 112.77 1ir1 h THR 278 Ca 0.18 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1ir1 h THR 278 Cb 0.51 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1ir1 h THR 278 CO 0.02 0.40 0.04 0.74 0.37 0.00 0.00 175.52 177.09 1ir1 h THR 279 N 0.28 1.22 -0.48 3.16 2.02 -1.23 -2.10 112.91 115.77 1ir1 h THR 279 Ca 0.04 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1ir1 h THR 279 Cb 0.69 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1ir1 h THR 279 CO 0.05 0.21 -0.05 0.25 0.37 0.00 0.00 175.52 176.35 1ir1 h LEU 280 N 0.10 0.82 -0.81 2.58 5.85 -1.06 -1.78 115.31 121.01 1ir1 h LEU 280 Ca 0.06 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ir1 h LEU 280 Cb 0.29 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1ir1 h LEU 280 CO 0.00 0.92 0.54 -1.28 -0.34 0.00 0.00 178.44 178.28 1ir1 h SER 281 N 0.77 0.92 -0.13 1.25 0.87 -0.79 0.12 113.55 116.56 1ir1 h SER 281 Ca 0.14 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.50 1ir1 h SER 281 Cb 0.54 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1ir1 h SER 281 CO 0.03 0.66 -0.58 0.45 -0.53 0.00 0.00 176.83 176.86 1ir1 h HIS 282 N 1.08 0.92 -0.69 2.24 3.86 -1.14 -2.51 115.15 118.92 1ir1 h HIS 282 Ca 0.30 -0.34 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1ir1 h HIS 282 Cb -0.10 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 1ir1 h HIS 282 CO -0.02 1.13 0.29 -0.92 0.86 0.00 0.00 177.93 179.28 1ir1 h TYR 283 N 0.55 1.02 -0.51 2.45 3.20 -0.91 -1.91 116.97 120.86 1ir1 h TYR 283 Ca 0.00 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 1ir1 h TYR 283 Cb 1.17 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1ir1 h TYR 283 CO 0.06 0.78 0.16 0.00 -1.64 0.00 0.00 178.16 177.53 1ir1 h ARG 285 N 0.74 0.77 0.00 0.00 2.43 -1.13 -1.42 114.38 115.78 1ir1 h ARG 285 Ca 0.17 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1ir1 h ARG 285 Cb 0.22 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1ir1 h ARG 285 CO -0.01 1.13 0.00 -0.44 -1.51 0.00 0.00 179.97 179.14 1ir1 h ASP 286 N 0.59 0.00 0.00 -3.80 3.32 -0.92 -3.25 116.42 112.36 1ir1 h ASP 286 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ir1 h ASP 286 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1ir1 h ASP 286 CO 0.12 0.00 -0.00 0.59 -1.72 0.00 0.00 179.24 178.23 1ir1 n ASN 287 N -2.32 1.66 -1.05 6.45 3.02 -0.63 -5.03 115.26 117.37 1ir1 n ASN 287 Ca 0.02 -1.83 -0.11 0.00 -0.03 0.00 0.00 54.58 52.62 1ir1 n ASN 287 Cb 0.25 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.42 0.71 3.79 7.41 0.00 -0.61 -5.02 105.19 111.05 1ir1 n GLY 288 Ca 0.00 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.89 4.30 0.44 0.99 1.43 -0.75 -4.97 118.68 117.24 1ir1 s LEU 289 Ca 0.00 0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 53.33 1ir1 s LEU 289 Cb 0.00 -2.20 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 1ir1 s LEU 289 CO 0.00 0.25 1.05 -0.76 0.23 0.00 0.00 176.35 177.12 1ir1 s LEU 290 N -0.22 4.00 -0.24 1.79 1.43 -0.14 -4.60 118.68 120.71 1ir1 s LEU 290 Ca 0.14 1.99 0.01 0.00 -1.03 0.00 0.00 54.13 55.25 1ir1 s LEU 290 Cb -0.12 -4.36 0.06 0.00 0.03 0.00 0.00 46.19 41.80 1ir1 s LEU 290 CO 0.03 -0.63 -0.08 -0.22 0.23 0.00 0.00 176.35 175.69 1ir1 s LEU 291 N -3.03 2.81 -0.13 1.79 2.96 -1.26 -1.71 118.68 120.11 1ir1 s LEU 291 Ca 0.62 -1.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.12 1ir1 s LEU 291 Cb -0.19 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1ir1 s LEU 291 CO 0.24 -0.21 0.52 -2.28 -1.32 0.00 0.00 176.35 173.30 1ir1 s HIS 292 N 1.30 3.49 -0.18 5.38 5.65 -0.01 -0.27 115.29 130.66 1ir1 s HIS 292 Ca -0.06 0.92 -0.05 0.00 0.25 0.00 0.00 55.06 56.12 1ir1 s HIS 292 Cb -0.19 -2.62 -0.03 0.00 -1.18 0.00 0.00 32.58 28.57 1ir1 s HIS 292 CO -0.06 0.10 -0.00 0.42 -0.65 0.00 0.00 174.74 174.54 1ir1 s ILE 293 N 0.86 4.04 -0.16 0.89 -1.09 -0.48 -1.34 121.20 123.93 1ir1 s ILE 293 Ca 0.27 -0.29 -0.07 0.00 -2.23 0.00 0.00 60.65 58.33 1ir1 s ILE 293 Cb -0.16 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1ir1 s ILE 293 CO 0.11 0.45 0.08 -2.28 -1.23 0.00 0.00 174.94 172.08 1ir1 s HIS 294 N 0.70 3.35 -0.32 3.97 5.65 -0.43 -3.27 115.29 124.94 1ir1 s HIS 294 Ca -0.00 0.24 0.02 0.00 0.25 0.00 0.00 55.06 55.57 1ir1 s HIS 294 Cb -0.14 -2.02 0.42 0.00 -1.18 0.00 0.00 32.58 29.65 1ir1 s HIS 294 CO 0.02 0.36 1.68 2.89 -0.65 0.00 0.00 174.74 179.04 1ir1 n ARG 295 N 2.98 1.87 -1.53 2.88 1.85 -1.26 -3.00 116.66 120.45 1ir1 n ARG 295 Ca -0.18 -2.01 -0.50 0.00 -1.00 0.00 0.00 57.85 54.16 1ir1 n ARG 295 Cb 0.53 -1.79 -0.04 0.00 -1.05 0.00 0.00 32.46 30.11 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 -0.50 -1.67 -0.98 2.89 0.00 -1.26 -1.57 120.51 117.41 1ir1 n ALA 296 Ca 0.40 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.31 1ir1 n ALA 296 Cb 1.16 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.47 -0.02 -0.22 0.00 0.00 -1.26 -4.21 117.12 112.88 1ir1 n MET 297 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.85 1ir1 n MET 297 Cb 0.22 -2.69 0.19 0.00 0.00 0.00 0.00 33.22 30.95 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 0.99 0.00 3.17 -0.00 -1.72 -2.25 115.15 115.34 1ir1 h HIS 298 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1ir1 h HIS 298 Cb 0.01 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.10 1ir1 h HIS 298 CO 0.01 0.69 0.00 0.00 -0.00 0.00 0.00 177.93 178.63 1ir1 h ALA 299 N 1.42 1.00 0.00 6.11 0.00 -1.92 0.51 119.26 126.38 1ir1 h ALA 299 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1ir1 h ALA 299 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ir1 h ALA 299 CO -0.04 0.00 -0.31 0.28 0.00 0.00 0.00 179.25 179.18 1ir1 h VAL 300 N 0.00 0.96 0.00 0.00 2.07 -1.82 -3.13 116.25 114.33 1ir1 h VAL 300 Ca 0.00 -1.16 -0.34 0.00 0.82 0.00 0.00 66.70 66.02 1ir1 h VAL 300 Cb 0.21 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 1ir1 h VAL 300 CO 0.00 0.30 -2.29 -0.38 0.02 0.00 0.00 177.57 175.22 1ir1 n ILE 301 N -3.80 1.30 0.07 4.57 5.41 -0.15 -4.78 119.36 121.98 1ir1 n ILE 301 Ca -0.01 -0.55 0.08 0.00 1.00 0.00 0.00 62.75 63.27 1ir1 n ILE 301 Cb 0.39 -1.17 0.16 0.00 -0.71 0.00 0.00 39.64 38.31 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 -3.08 2.92 0.02 4.38 5.68 -0.01 -2.25 116.55 124.21 1ir1 n ASP 302 Ca -0.38 -1.87 -0.13 0.00 -0.50 0.00 0.00 54.79 51.91 1ir1 n ASP 302 Cb 0.96 -0.21 -0.09 0.00 -1.14 0.00 0.00 41.12 40.64 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 2.87 -0.09 -6.73 0.11 9.65 -1.78 -3.43 114.38 114.98 1ir1 h ARG 303 Ca 0.00 0.01 -0.49 0.00 -1.10 0.00 0.00 59.98 58.39 1ir1 h ARG 303 Cb 0.76 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 1ir1 h ARG 303 CO 0.00 0.40 0.32 -0.65 2.80 0.00 0.00 179.97 182.84 1ir1 s GLN 304 N -3.96 4.76 0.39 0.20 -1.52 -1.26 -3.36 119.66 114.91 1ir1 s GLN 304 Ca -0.15 1.40 0.20 0.00 -1.95 0.00 0.00 55.36 54.85 1ir1 s GLN 304 Cb 0.01 -3.19 0.78 0.00 -0.22 0.00 0.00 33.01 30.39 1ir1 s GLN 304 CO 0.62 0.49 1.78 -0.22 -0.25 0.00 0.00 175.29 177.71 1ir1 h LYS 305 N 4.00 0.00 0.00 2.91 3.64 -1.89 -3.30 116.57 121.93 1ir1 h LYS 305 Ca -0.46 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 1ir1 h LYS 305 Cb 1.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1ir1 h LYS 305 CO 0.67 0.34 -1.20 -2.95 -2.27 0.00 0.00 179.45 174.04 1ir1 h ASN 306 N 0.00 0.00 -3.73 4.20 -1.07 -1.94 -3.47 115.58 109.57 1ir1 h ASN 306 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.18 1ir1 h ASN 306 Cb 0.81 0.00 -0.27 0.00 -2.07 0.00 0.00 38.32 36.79 1ir1 h ASN 306 CO 0.04 0.47 -0.50 -2.28 0.07 0.00 0.00 177.43 175.23 1ir1 s HIS 307 N -3.00 -0.22 -0.70 4.14 5.04 -1.24 -3.30 115.29 116.01 1ir1 s HIS 307 Ca -0.01 0.53 0.00 0.00 -1.54 0.00 0.00 55.06 54.04 1ir1 s HIS 307 Cb 0.09 0.06 0.00 0.00 0.04 0.00 0.00 32.58 32.76 1ir1 s HIS 307 CO 0.80 -0.12 0.00 0.41 -2.34 0.00 0.00 174.74 173.49 1ir1 n GLY 308 N 3.19 0.27 2.81 1.59 0.00 -0.48 -4.48 105.19 108.09 1ir1 n GLY 308 Ca -0.15 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.49 0.29 0.59 1.61 -1.94 -0.95 -0.98 119.30 117.42 1ir1 s MET 309 Ca 0.00 0.09 -0.18 0.00 -1.71 0.00 0.00 55.69 53.89 1ir1 s MET 309 Cb 0.00 -0.50 -0.04 0.00 2.01 0.00 0.00 34.83 36.30 1ir1 s MET 309 CO 0.00 -0.15 1.14 -1.58 -0.01 0.00 0.00 175.02 174.42 1ir1 s HIS 310 N 1.13 2.59 0.48 -0.03 2.46 -0.43 -3.57 115.29 117.92 1ir1 s HIS 310 Ca -0.08 1.54 0.14 0.00 0.47 0.00 0.00 55.06 57.13 1ir1 s HIS 310 Cb -0.13 -3.30 1.13 0.00 -0.13 0.00 0.00 32.58 30.15 1ir1 s HIS 310 CO -0.02 -1.75 2.08 0.35 -2.47 0.00 0.00 174.74 172.94 1ir1 h PHE 311 N 0.79 0.21 -0.22 3.88 3.57 -1.91 -2.03 116.94 121.22 1ir1 h PHE 311 Ca -0.49 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.08 1ir1 h PHE 311 Cb 1.26 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1ir1 h PHE 311 CO 0.51 0.12 0.19 0.07 -2.23 0.00 0.00 178.31 176.97 1ir1 h ARG 312 N 0.22 0.00 -0.07 1.11 0.11 -1.91 0.23 114.38 114.07 1ir1 h ARG 312 Ca 0.11 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.02 1ir1 h ARG 312 Cb 0.17 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.26 1ir1 h ARG 312 CO -0.02 0.00 -0.62 0.28 0.10 0.00 0.00 179.97 179.71 1ir1 h VAL 313 N 0.00 1.36 0.00 0.08 2.07 -1.60 -1.95 116.25 116.21 1ir1 h VAL 313 Ca 0.11 -1.96 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 1ir1 h VAL 313 Cb 0.48 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1ir1 h VAL 313 CO -0.00 0.59 -0.31 -0.07 0.02 0.00 0.00 177.57 177.80 1ir1 h LEU 314 N 0.14 0.00 -0.13 2.57 3.38 -1.20 -1.34 115.31 118.73 1ir1 h LEU 314 Ca -0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1ir1 h LEU 314 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1ir1 h LEU 314 CO 0.13 0.31 -0.29 0.00 0.09 0.00 0.00 178.44 178.68 1ir1 h ALA 315 N 1.69 0.21 -0.68 1.53 0.00 -0.56 -2.39 119.26 119.06 1ir1 h ALA 315 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1ir1 h ALA 315 Cb 0.57 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1ir1 h ALA 315 CO 0.04 0.23 0.29 0.87 0.00 0.00 0.00 179.25 180.68 1ir1 h LYS 316 N 0.02 0.99 -0.89 0.00 1.57 -1.07 -2.01 116.57 115.19 1ir1 h LYS 316 Ca 0.00 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1ir1 h LYS 316 Cb 0.89 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 1ir1 h LYS 316 CO 0.06 0.79 0.46 0.00 -0.57 0.00 0.00 179.45 180.20 1ir1 h ALA 317 N 1.35 1.14 -0.30 3.86 0.00 -1.19 -2.61 119.26 121.51 1ir1 h ALA 317 Ca 0.23 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1ir1 h ALA 317 Cb 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ir1 h ALA 317 CO -0.02 0.67 -0.38 1.25 0.00 0.00 0.00 179.25 180.76 1ir1 h LEU 318 N 1.25 0.74 -1.80 0.00 7.12 -0.91 -1.20 115.31 120.51 1ir1 h LEU 318 Ca 0.31 -0.33 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 1ir1 h LEU 318 Cb 0.06 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 39.98 1ir1 h LEU 318 CO -0.05 1.04 -0.15 -0.09 -0.13 0.00 0.00 178.44 179.07 1ir1 h ARG 319 N 0.58 0.00 0.00 1.25 2.43 -1.09 0.39 114.38 117.95 1ir1 h ARG 319 Ca 0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ir1 h ARG 319 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1ir1 h ARG 319 CO 0.08 0.15 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.62 1ir1 h LEU 320 N 0.00 -0.00 -0.27 3.80 3.38 -1.15 -3.29 115.31 117.78 1ir1 h LEU 320 Ca -0.00 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1ir1 h LEU 320 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1ir1 h LEU 320 CO 0.02 0.75 0.01 -1.28 0.09 0.00 0.00 178.44 178.03 1ir1 h SER 321 N -1.00 -0.08 0.00 -0.43 0.87 -1.14 -2.74 113.55 109.03 1ir1 h SER 321 Ca -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1ir1 h SER 321 Cb 0.50 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1ir1 h SER 321 CO 0.00 -0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.90 1ir1 n GLY 322 N -1.21 3.89 3.64 5.77 0.00 0.14 -4.43 105.19 112.98 1ir1 n GLY 322 Ca -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 0.16 -0.01 -0.02 0.00 -1.25 -4.79 107.32 101.41 1ir1 s GLY 323 Ca 0.00 3.10 0.13 0.00 0.00 0.00 0.00 44.72 47.95 1ir1 s GLY 323 CO 0.00 1.63 0.75 -0.55 0.00 0.00 0.00 173.10 174.92 1ir1 h ASP 324 N 2.95 0.00 -3.99 1.64 3.32 -1.01 -3.41 116.42 115.92 1ir1 h ASP 324 Ca -0.21 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.45 1ir1 h ASP 324 Cb 1.19 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.57 1ir1 h ASP 324 CO 0.19 0.90 -0.74 -1.00 -1.72 0.00 0.00 179.24 176.86 1ir1 s HIS 325 N -2.68 1.35 -0.24 4.55 3.76 -1.06 -1.37 115.29 119.60 1ir1 s HIS 325 Ca -0.04 -0.62 -0.18 0.00 -0.15 0.00 0.00 55.06 54.08 1ir1 s HIS 325 Cb 0.08 -0.70 0.07 0.00 1.11 0.00 0.00 32.58 33.14 1ir1 s HIS 325 CO 0.82 0.13 0.61 -1.50 -0.85 0.00 0.00 174.74 173.95 1ir1 s ILE 326 N -2.52 -0.00 0.30 0.60 2.07 -0.83 -1.38 121.20 119.43 1ir1 s ILE 326 Ca 0.11 0.02 -0.29 0.00 -1.41 0.00 0.00 60.65 59.08 1ir1 s ILE 326 Cb -0.03 -0.86 -0.10 0.00 0.13 0.00 0.00 42.46 41.60 1ir1 s ILE 326 CO 0.02 0.01 1.37 -1.00 -1.91 0.00 0.00 174.94 173.43 1ir1 s HIS 327 N 0.93 3.01 0.00 3.50 3.76 -1.20 -1.06 115.29 124.23 1ir1 s HIS 327 Ca -0.05 1.24 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 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 -0.08 -2.24 0.35 -1.13 -0.85 0.00 0.00 174.74 170.80 1ir1 n SER 328 N 1.44 0.71 0.00 1.40 3.41 -0.44 -4.77 113.62 115.37 1ir1 n SER 328 Ca 0.03 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 1ir1 n SER 328 Cb 0.41 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.15 0.93 0.00 5.00 0.00 -1.25 -4.92 105.19 105.10 1ir1 n GLY 329 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 1.37 0.00 0.00 2.61 -2.24 -1.26 -4.31 114.28 110.45 1ir1 n THR 330 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ir1 n THR 330 Cb 0.00 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.35 0.00 1.18 2.28 0.31 -1.26 -4.36 118.33 115.13 1ir1 n VAL 331 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1ir1 n VAL 331 Cb 0.01 0.00 0.26 0.00 -0.91 0.00 0.00 33.84 33.21 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 -4.65 118.33 114.89 1ir1 n VAL 332 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1ir1 n VAL 332 Cb 0.00 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 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 1.35 -0.31 0.13 7.63 0.00 -1.26 -4.29 105.19 108.44 1ir1 n GLY 333 Ca 0.12 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.58 1ir1 n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ir1 h LYS 334 N 0.00 0.00 -6.28 1.61 2.10 -1.48 -3.43 116.57 109.09 1ir1 h LYS 334 Ca 0.00 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.00 1ir1 h LYS 334 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 1ir1 h LYS 334 CO 0.00 0.00 -0.65 -0.51 -2.00 0.00 0.00 179.45 176.29 1ir1 s LEU 335 N -4.84 3.50 0.53 7.07 1.43 -1.26 -5.05 118.68 120.05 1ir1 s LEU 335 Ca 0.09 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 1ir1 s LEU 335 Cb 0.11 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1ir1 s LEU 335 CO 0.59 0.20 1.33 -0.70 0.23 0.00 0.00 176.35 178.00 1ir1 s GLU 336 N -2.11 3.28 0.00 1.70 2.12 -1.26 -4.56 118.70 117.87 1ir1 s GLU 336 Ca 0.24 2.16 0.00 0.00 0.36 0.00 0.00 54.97 57.74 1ir1 s GLU 336 Cb -0.12 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 31.97 1ir1 s GLU 336 CO 0.16 -1.06 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 1ir1 n GLY 337 N 0.67 0.25 3.75 -1.50 0.00 -1.26 -4.84 105.19 102.26 1ir1 n GLY 337 Ca 0.10 0.70 -0.40 0.00 0.00 0.00 0.00 46.02 46.41 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 4.79 0.09 1.61 0.41 -1.26 -4.10 118.70 120.24 1ir1 s GLU 338 Ca 0.00 1.56 -0.35 0.00 -0.41 0.00 0.00 54.97 55.77 1ir1 s GLU 338 Cb 0.00 -3.23 -0.16 0.00 -1.78 0.00 0.00 34.13 28.95 1ir1 s GLU 338 CO 0.00 0.43 1.57 -0.09 -0.49 0.00 0.00 175.26 176.68 1ir1 h ARG 339 N 4.02 -0.92 -0.78 1.61 2.43 -1.98 -0.73 114.38 118.04 1ir1 h ARG 339 Ca -0.45 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 1ir1 h ARG 339 Cb 1.20 0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.93 1ir1 h ARG 339 CO 0.68 -0.61 0.39 -0.44 -1.51 0.00 0.00 179.97 178.47 1ir1 h ASP 340 N -0.96 1.00 -0.60 -3.80 3.32 -1.94 -0.48 116.42 112.96 1ir1 h ASP 340 Ca -0.05 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 1ir1 h ASP 340 Cb 0.84 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1ir1 h ASP 340 CO -0.08 0.84 0.23 0.40 -1.72 0.00 0.00 179.24 178.92 1ir1 h ILE 341 N 1.09 1.23 -0.37 0.35 2.04 -1.77 -1.75 117.51 118.33 1ir1 h ILE 341 Ca 0.27 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1ir1 h ILE 341 Cb 0.09 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1ir1 h ILE 341 CO -0.04 0.28 0.15 0.74 0.00 0.00 0.00 178.15 179.28 1ir1 h THR 342 N 0.83 1.19 -0.26 -0.27 2.02 -0.76 -2.05 112.91 113.62 1ir1 h THR 342 Ca 0.20 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1ir1 h THR 342 Cb 0.22 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1ir1 h THR 342 CO -0.01 0.21 0.14 -0.07 0.37 0.00 0.00 175.52 176.16 1ir1 h LEU 343 N 0.45 0.31 0.38 2.58 3.38 -0.94 -1.55 115.31 119.92 1ir1 h LEU 343 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ir1 h LEU 343 Cb 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ir1 h LEU 343 CO -0.01 0.25 -0.18 1.23 0.09 0.00 0.00 178.44 179.82 1ir1 h GLY 344 N 0.42 -0.54 2.00 0.83 0.00 -0.61 -2.59 103.07 102.57 1ir1 h GLY 344 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1ir1 h GLY 344 CO -0.02 -0.20 0.00 1.97 0.00 0.00 0.00 176.54 178.30 1ir1 n PHE 345 N -5.28 0.34 -0.05 5.60 1.16 -0.99 -2.68 117.46 115.57 1ir1 n PHE 345 Ca -0.11 0.10 -0.14 0.00 -1.87 0.00 0.00 57.45 55.44 1ir1 n PHE 345 Cb 0.24 -0.66 -0.02 0.00 -1.61 0.00 0.00 39.48 37.43 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 1.29 -0.40 1.97 2.07 -1.18 -2.19 116.25 117.80 1ir1 h VAL 346 Ca 0.00 -1.79 -0.08 0.00 0.82 0.00 0.00 66.70 65.65 1ir1 h VAL 346 Cb 0.57 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1ir1 h VAL 346 CO 0.00 0.57 -0.08 0.44 0.02 0.00 0.00 177.57 178.52 1ir1 h ASP 347 N 0.59 0.68 0.59 0.57 3.32 -1.30 -1.75 116.42 119.12 1ir1 h ASP 347 Ca 0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1ir1 h ASP 347 Cb 1.18 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1ir1 h ASP 347 CO 0.12 0.80 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.29 1ir1 h LEU 348 N 0.64 0.00 0.02 1.55 3.38 -1.28 -1.59 115.31 118.03 1ir1 h LEU 348 Ca 0.12 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.77 1ir1 h LEU 348 Cb 0.52 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1ir1 h LEU 348 CO 0.03 0.08 -1.86 0.18 0.09 0.00 0.00 178.44 176.96 1ir1 n LEU 349 N -3.34 1.13 -0.11 1.67 4.77 -0.85 -4.64 117.00 115.63 1ir1 n LEU 349 Ca -0.01 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.15 1ir1 n LEU 349 Cb 0.26 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.17 1ir1 n LEU 349 CO 0.28 0.50 -1.22 0.54 -1.33 0.00 0.00 177.39 176.15 1ir1 n ARG 350 N -3.09 0.67 -2.24 3.23 1.74 -0.71 -0.37 116.66 115.88 1ir1 n ARG 350 Ca -0.22 0.08 -0.26 0.00 -0.77 0.00 0.00 57.85 56.68 1ir1 n ARG 350 Cb 1.06 -1.53 0.09 0.00 -1.02 0.00 0.00 32.46 31.06 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 -6.04 4.49 0.02 0.55 1.01 -0.61 -4.42 116.67 111.67 1ir1 s ASP 351 Ca -0.22 0.26 0.22 0.00 0.71 0.00 0.00 52.55 53.52 1ir1 s ASP 351 Cb 0.08 -0.78 -0.16 0.00 1.01 0.00 0.00 42.92 43.06 1ir1 s ASP 351 CO 0.72 -1.80 0.80 -0.67 0.21 0.00 0.00 175.17 174.43 1ir1 n ASP 352 N -3.01 0.50 -3.68 0.27 2.03 -1.26 -4.84 116.55 106.55 1ir1 n ASP 352 Ca 0.10 -0.29 -0.10 0.00 0.52 0.00 0.00 54.79 55.03 1ir1 n ASP 352 Cb 0.60 1.25 -0.09 0.00 -0.72 0.00 0.00 41.12 42.16 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 -3.28 -0.73 -0.06 -0.67 5.04 -1.26 -1.29 117.35 115.10 1ir1 s TYR 353 Ca 0.00 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.17 1ir1 s TYR 353 Cb 0.14 0.36 0.03 0.00 0.35 0.00 0.00 41.96 42.84 1ir1 s TYR 353 CO 0.86 -0.38 0.01 0.99 -1.34 0.00 0.00 175.55 175.69 1ir1 s THR 354 N 1.25 0.26 0.48 4.34 2.01 -0.41 -5.01 115.64 118.56 1ir1 s THR 354 Ca -0.08 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 1ir1 s THR 354 Cb -0.06 -0.44 -0.09 0.00 0.01 0.00 0.00 72.50 71.92 1ir1 s THR 354 CO -0.12 0.24 0.96 -1.61 -0.69 0.00 0.00 174.62 173.40 1ir1 s GLU 355 N 1.98 4.05 0.23 4.92 2.02 -1.26 -0.83 118.70 129.81 1ir1 s GLU 355 Ca 0.04 1.00 -0.31 0.00 0.02 0.00 0.00 54.97 55.72 1ir1 s GLU 355 Cb -0.12 -2.16 -0.14 0.00 0.10 0.00 0.00 34.13 31.80 1ir1 s GLU 355 CO -0.05 -0.16 1.27 1.17 0.02 0.00 0.00 175.26 177.51 1ir1 n LYS 356 N -1.19 1.65 -3.24 1.61 4.81 -1.26 -4.81 118.16 115.73 1ir1 n LYS 356 Ca 0.07 0.59 -0.03 0.00 -0.87 0.00 0.00 58.31 58.06 1ir1 n LYS 356 Cb 0.54 -2.15 -0.02 0.00 0.02 0.00 0.00 35.03 33.42 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 0.05 -0.93 0.64 3.14 2.15 0.33 -4.98 116.67 117.07 1ir1 s ASP 357 Ca 0.68 -0.94 0.39 0.00 0.43 0.00 0.00 52.55 53.11 1ir1 s ASP 357 Cb -0.72 1.65 2.18 0.00 -0.30 0.00 0.00 42.92 45.73 1ir1 s ASP 357 CO 0.52 -0.19 2.30 0.03 -0.17 0.00 0.00 175.17 177.66 1ir1 h ARG 358 N 7.04 0.00 0.00 4.34 2.47 -1.93 -0.90 114.38 125.40 1ir1 h ARG 358 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1ir1 h ARG 358 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1ir1 h ARG 358 CO 0.12 0.00 0.00 0.66 0.56 0.00 0.00 179.97 181.31 1ir1 h SER 359 N 0.00 0.00 -0.08 7.04 4.64 -1.95 -2.70 113.55 120.50 1ir1 h SER 359 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ir1 h SER 359 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 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 -2.51 2.67 -1.05 4.77 1.74 -0.43 -4.80 116.66 117.05 1ir1 n ARG 360 Ca 0.02 -1.87 -0.02 0.00 -0.77 0.00 0.00 57.85 55.21 1ir1 n ARG 360 Cb 0.29 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 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 -0.48 0.53 3.40 -0.13 0.00 -1.02 -4.47 105.19 103.02 1ir1 n GLY 361 Ca 0.06 -0.54 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 4.85 -0.09 -0.61 1.01 -0.69 -4.90 121.20 118.77 1ir1 s ILE 362 Ca 0.00 -0.81 0.16 0.00 0.00 0.00 0.00 60.65 60.00 1ir1 s ILE 362 Cb 0.00 -4.41 0.08 0.00 0.01 0.00 0.00 42.46 38.14 1ir1 s ILE 362 CO 0.00 -0.99 1.50 1.88 0.00 0.00 0.00 174.94 177.33 1ir1 h TYR 363 N 9.10 0.00 -3.76 3.97 -1.99 -1.94 0.96 116.97 123.31 1ir1 h TYR 363 Ca -0.29 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.11 1ir1 h TYR 363 Cb 1.09 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 39.64 1ir1 h TYR 363 CO 0.80 0.48 -0.74 -0.06 -0.00 0.00 0.00 178.16 178.64 1ir1 s PHE 364 N -3.08 1.08 0.08 4.88 0.08 -1.26 -4.87 117.98 114.90 1ir1 s PHE 364 Ca 0.03 -0.61 -0.30 0.00 0.12 0.00 0.00 56.93 56.17 1ir1 s PHE 364 Cb 0.08 -0.60 -0.05 0.00 -0.57 0.00 0.00 43.02 41.88 1ir1 s PHE 364 CO 0.73 0.02 1.00 0.99 -0.10 0.00 0.00 175.22 177.86 1ir1 s THR 365 N -2.18 4.50 -0.08 0.64 2.01 -1.26 -4.08 115.64 115.18 1ir1 s THR 365 Ca 0.04 1.97 0.04 0.00 0.31 0.00 0.00 61.69 64.04 1ir1 s THR 365 Cb -0.04 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.21 1ir1 s THR 365 CO 0.01 0.25 -0.20 -1.58 -0.69 0.00 0.00 174.62 172.40 1ir1 s GLN 366 N 0.33 2.55 0.06 4.92 2.00 -0.01 -4.90 119.66 124.60 1ir1 s GLN 366 Ca 0.50 -0.73 0.08 0.00 -2.00 0.00 0.00 55.36 53.20 1ir1 s GLN 366 Cb -0.24 -1.99 -0.03 0.00 0.80 0.00 0.00 33.01 31.55 1ir1 s GLN 366 CO 0.30 0.16 -0.20 0.45 -0.50 0.00 0.00 175.29 175.50 1ir1 s SER 367 N 0.37 3.68 0.00 6.67 0.15 -1.26 -1.29 113.70 122.01 1ir1 s SER 367 Ca -0.15 -0.49 0.03 0.00 0.70 0.00 0.00 55.95 56.04 1ir1 s SER 367 Cb -0.17 -0.53 0.04 0.00 -1.71 0.00 0.00 66.02 63.66 1ir1 s SER 367 CO 0.07 0.24 0.74 0.79 1.20 0.00 0.00 173.24 176.28 1ir1 n TRP 368 N 1.47 0.04 -3.95 3.44 7.02 -0.41 -4.71 117.44 120.33 1ir1 n TRP 368 Ca -0.16 -0.16 -0.32 0.00 -1.02 0.00 0.00 57.50 55.84 1ir1 n TRP 368 Cb 0.52 -0.01 -0.01 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 0.04 -1.59 -1.53 -0.99 0.24 -1.26 -1.07 118.33 112.18 1ir1 n VAL 369 Ca 0.02 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.34 61.77 1ir1 n VAL 369 Cb 0.14 -1.38 -0.05 0.00 -1.47 0.00 0.00 33.84 31.08 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 -1.47 -4.61 -4.73 -1.34 7.64 -1.26 -4.99 113.62 102.86 1ir1 n SER 370 Ca -0.12 0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 1ir1 n SER 370 Cb 0.43 -3.39 -0.03 0.00 -1.01 0.00 0.00 64.21 60.21 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 3.42 0.59 0.44 2.01 -0.23 -4.94 115.64 114.39 1ir1 s THR 371 Ca 0.00 1.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.91 1ir1 s THR 371 Cb 0.00 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 1ir1 s THR 371 CO 0.00 0.13 0.79 -2.65 -0.69 0.00 0.00 174.62 172.19 1ir1 n PRO 372 N 3.24 0.73 -2.17 4.92 -0.02 -1.26 -4.93 135.00 135.51 1ir1 n PRO 372 Ca 0.08 0.28 -0.29 0.00 -2.02 0.00 0.00 63.50 61.55 1ir1 n PRO 372 Cb 0.43 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.23 1.60 -0.07 -1.23 0.00 -1.26 -4.67 107.32 100.46 1ir1 s GLY 373 Ca 0.73 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.11 1ir1 s GLY 373 CO 0.50 -0.10 -0.13 0.14 0.00 0.00 0.00 173.10 173.51 1ir1 s VAL 374 N -3.07 3.17 -0.21 1.40 1.01 0.50 -2.36 120.40 120.83 1ir1 s VAL 374 Ca 0.54 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1ir1 s VAL 374 Cb -0.11 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1ir1 s VAL 374 CO 0.49 0.58 1.12 -0.76 0.00 0.00 0.00 175.10 176.53 1ir1 s LEU 375 N -0.52 4.12 0.34 3.92 1.43 -0.47 -4.24 118.68 123.25 1ir1 s LEU 375 Ca 0.07 1.47 -0.27 0.00 -1.03 0.00 0.00 54.13 54.37 1ir1 s LEU 375 Cb -0.12 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 1ir1 s LEU 375 CO 0.02 -0.72 1.07 -2.16 0.23 0.00 0.00 176.35 174.79 1ir1 s PRO 376 N 3.33 4.40 -0.21 1.29 0.04 -1.26 -1.96 135.00 140.63 1ir1 s PRO 376 Ca 0.48 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.18 1ir1 s PRO 376 Cb -0.17 -2.87 0.03 0.00 0.04 0.00 0.00 34.50 31.53 1ir1 s PRO 376 CO 0.09 0.04 -0.15 0.08 0.04 0.00 0.00 177.00 177.11 1ir1 s VAL 377 N -1.41 2.30 -0.26 -0.36 1.01 -0.22 -1.28 120.40 120.18 1ir1 s VAL 377 Ca 0.51 -1.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 1ir1 s VAL 377 Cb -0.27 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1ir1 s VAL 377 CO 0.34 0.35 0.47 0.00 0.00 0.00 0.00 175.10 176.26 1ir1 s ALA 378 N 1.26 3.58 -0.02 5.51 0.00 0.69 -1.33 121.76 131.45 1ir1 s ALA 378 Ca 0.01 -0.65 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 1ir1 s ALA 378 Cb -0.15 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1ir1 s ALA 378 CO -0.09 -0.68 0.48 0.45 0.00 0.00 0.00 175.76 175.91 1ir1 s SER 379 N 1.53 -0.40 0.00 0.00 0.15 -1.26 -0.89 113.70 112.83 1ir1 s SER 379 Ca 0.20 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1ir1 s SER 379 Cb -0.16 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1ir1 s SER 379 CO 0.09 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1ir1 n GLY 380 N 1.05 1.64 2.55 9.45 0.00 -1.26 -4.56 105.19 114.06 1ir1 n GLY 380 Ca -0.20 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 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 0.12 -0.25 3.69 -0.02 0.00 -1.26 -1.66 105.19 105.81 1ir1 n GLY 381 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.94 3.86 0.27 -0.61 -4.36 -1.26 -4.17 121.20 111.99 1ir1 s ILE 382 Ca 0.15 -1.36 0.03 0.00 -0.26 0.00 0.00 60.65 59.21 1ir1 s ILE 382 Cb -0.06 -2.94 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 1ir1 s ILE 382 CO 0.18 -0.11 0.30 0.00 0.24 0.00 0.00 174.94 175.55 1ir1 n HIS 383 N -0.15 -0.90 -0.33 1.37 1.44 -1.26 -4.40 115.22 110.99 1ir1 n HIS 383 Ca -0.09 -2.07 0.21 0.00 -2.01 0.00 0.00 57.72 53.75 1ir1 n HIS 383 Cb 0.55 0.32 0.47 0.00 0.12 0.00 0.00 29.99 31.45 1ir1 n HIS 383 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1ir1 h VAL 384 N 1.83 0.52 0.00 0.61 -1.51 -1.93 -0.35 116.25 115.43 1ir1 h VAL 384 Ca -0.20 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1ir1 h VAL 384 Cb 0.95 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1ir1 h VAL 384 CO 0.28 0.08 0.00 0.79 -1.23 0.00 0.00 177.57 177.49 1ir1 n TRP 385 N -4.72 0.82 0.68 5.19 7.02 -1.26 -1.99 117.44 123.18 1ir1 n TRP 385 Ca 0.26 0.34 0.12 0.00 -1.02 0.00 0.00 57.50 57.20 1ir1 n TRP 385 Cb 0.84 -1.04 0.20 0.00 -2.42 0.00 0.00 31.31 28.89 1ir1 n TRP 385 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1ir1 n HIS 386 N -2.26 0.40 -0.21 -5.99 8.25 -0.14 -4.43 115.22 110.83 1ir1 n HIS 386 Ca 0.02 0.12 0.01 0.00 -0.26 0.00 0.00 57.72 57.61 1ir1 n HIS 386 Cb 0.20 -0.55 0.10 0.00 1.12 0.00 0.00 29.99 30.86 1ir1 n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1ir1 h MET 387 N 0.00 0.09 -0.25 -0.41 -1.53 -1.44 -0.72 114.93 110.67 1ir1 h MET 387 Ca 0.00 -0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.28 1ir1 h MET 387 Cb 0.68 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.69 1ir1 h MET 387 CO 0.00 0.06 0.09 -1.35 0.14 0.00 0.00 176.91 175.85 1ir1 h PRO 388 N 0.09 0.21 -0.42 0.39 0.11 -1.80 -0.74 132.00 129.83 1ir1 h PRO 388 Ca 0.33 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 1ir1 h PRO 388 Cb 0.54 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1ir1 h PRO 388 CO -0.58 0.14 0.25 0.00 -0.21 0.00 0.00 178.00 177.60 1ir1 h ALA 389 N 1.15 0.53 -0.69 -0.75 0.00 -1.65 -1.10 119.26 116.75 1ir1 h ALA 389 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ir1 h ALA 389 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ir1 h ALA 389 CO -0.10 0.03 0.31 -0.07 0.00 0.00 0.00 179.25 179.42 1ir1 h LEU 390 N 0.55 0.92 -0.89 0.00 3.38 -0.95 0.13 115.31 118.45 1ir1 h LEU 390 Ca 0.15 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1ir1 h LEU 390 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1ir1 h LEU 390 CO -0.03 0.81 -0.08 0.74 0.09 0.00 0.00 178.44 179.97 1ir1 h THR 391 N 0.96 1.25 -0.34 0.22 2.02 -0.94 -1.44 112.91 114.64 1ir1 h THR 391 Ca 0.23 -1.10 -0.15 0.00 0.77 0.00 0.00 66.41 66.16 1ir1 h THR 391 Cb 0.15 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1ir1 h THR 391 CO -0.03 0.38 -0.38 -0.08 0.37 0.00 0.00 175.52 175.78 1ir1 h GLU 392 N 0.67 0.86 -0.00 6.66 4.22 -0.74 -1.47 114.58 124.78 1ir1 h GLU 392 Ca 0.12 -0.47 -0.01 0.00 0.08 0.00 0.00 59.36 59.08 1ir1 h GLU 392 Cb 0.54 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ir1 h GLU 392 CO 0.03 1.11 -0.02 0.82 -2.18 0.00 0.00 179.01 178.77 1ir1 h ILE 393 N 0.66 1.52 0.03 2.32 2.04 -0.86 -3.39 117.51 119.84 1ir1 h ILE 393 Ca 0.05 -1.57 -0.31 0.00 1.00 0.00 0.00 64.86 64.03 1ir1 h ILE 393 Cb 0.98 2.58 -0.04 0.00 -0.74 0.00 0.00 36.82 39.59 1ir1 h ILE 393 CO 0.09 0.41 -1.75 -0.26 0.00 0.00 0.00 178.15 176.65 1ir1 h PHE 394 N -0.63 0.11 0.00 1.37 0.04 -1.37 -3.50 116.94 112.96 1ir1 h PHE 394 Ca -0.00 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1ir1 h PHE 394 Cb 0.69 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1ir1 h PHE 394 CO 0.16 1.17 0.00 0.41 -0.60 0.00 0.00 178.31 179.45 1ir1 n GLY 395 N 1.64 -2.11 0.30 -1.45 0.00 -0.55 -4.42 105.19 98.60 1ir1 n GLY 395 Ca -0.19 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 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 0.95 -0.76 1.61 3.32 -1.90 -3.37 116.42 116.28 1ir1 h ASP 396 Ca 0.00 -0.15 -0.67 0.00 0.02 0.00 0.00 57.03 56.23 1ir1 h ASP 396 Cb 0.00 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.23 1ir1 h ASP 396 CO 0.00 0.84 2.28 0.47 -1.72 0.00 0.00 179.24 181.11 1ir1 n ASP 397 N -4.40 4.77 -3.73 6.45 8.00 -1.26 -3.12 116.55 123.27 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 0.15 -1.74 -0.02 0.00 -0.02 0.00 0.00 41.12 39.49 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 4.18 -0.24 -0.12 -2.24 1.04 -1.26 -4.33 113.70 110.73 1ir1 s SER 398 Ca 0.54 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.60 1ir1 s SER 398 Cb 0.05 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1ir1 s SER 398 CO 0.06 -0.97 -0.13 -0.69 0.98 0.00 0.00 173.24 172.49 1ir1 s VAL 399 N -3.44 1.35 -0.23 5.02 1.01 -0.40 -1.20 120.40 122.51 1ir1 s VAL 399 Ca 0.10 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1ir1 s VAL 399 Cb -0.02 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1ir1 s VAL 399 CO 0.01 0.42 0.07 -0.76 0.00 0.00 0.00 175.10 174.83 1ir1 s LEU 400 N 1.28 3.55 -0.10 3.92 1.43 -0.24 -0.22 118.68 128.29 1ir1 s LEU 400 Ca -0.01 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1ir1 s LEU 400 Cb -0.14 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1ir1 s LEU 400 CO -0.05 0.03 -0.14 -1.10 0.23 0.00 0.00 176.35 175.31 1ir1 s GLN 401 N 1.23 3.11 -0.33 1.70 -0.21 -0.07 -0.73 119.66 124.36 1ir1 s GLN 401 Ca 0.05 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.74 1ir1 s GLN 401 Cb -0.14 -2.53 0.10 0.00 1.00 0.00 0.00 33.01 31.43 1ir1 s GLN 401 CO 0.03 0.33 0.07 -0.06 -2.12 0.00 0.00 175.29 173.55 1ir1 s PHE 402 N 0.04 2.84 0.00 0.91 0.40 -0.44 -4.23 117.98 117.50 1ir1 s PHE 402 Ca -0.05 -2.44 0.00 0.00 -0.60 0.00 0.00 56.93 53.84 1ir1 s PHE 402 Cb -0.15 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.00 1ir1 s PHE 402 CO 0.04 -0.92 0.00 0.41 0.70 0.00 0.00 175.22 175.46 1ir1 n GLY 403 N 4.51 1.42 0.30 4.36 0.00 -1.26 -3.37 105.19 111.15 1ir1 n GLY 403 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 0.01 1.58 -0.02 0.00 -1.92 0.77 103.07 103.49 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 -1.57 -0.63 0.99 4.60 0.00 -1.26 -0.85 105.19 106.48 1ir1 n GLY 405 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.29 0.35 1.58 2.61 -1.04 0.14 -4.68 114.28 111.95 1ir1 n THR 406 Ca 0.05 0.10 0.11 0.00 -2.04 0.00 0.00 64.05 62.27 1ir1 n THR 406 Cb 0.08 -1.54 0.66 0.00 -1.82 0.00 0.00 70.33 67.72 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 -3.16 0.00 -0.80 -4.42 4.32 -0.48 -2.40 117.00 110.07 1ir1 n LEU 407 Ca -0.01 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.07 1ir1 n LEU 407 Cb 0.38 0.00 0.10 0.00 -1.62 0.00 0.00 43.42 42.29 1ir1 n LEU 407 CO 0.00 0.00 0.57 0.61 -1.22 0.00 0.00 177.39 177.35 1ir1 n GLY 408 N 0.55 0.77 3.75 -0.72 0.00 -0.03 -4.90 105.19 104.61 1ir1 n GLY 408 Ca 0.17 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.48 3.19 0.62 1.61 5.04 -1.01 -4.91 115.29 118.36 1ir1 s HIS 409 Ca 0.24 1.30 0.33 0.00 -1.54 0.00 0.00 55.06 55.39 1ir1 s HIS 409 Cb 0.16 -3.63 1.84 0.00 0.04 0.00 0.00 32.58 31.00 1ir1 s HIS 409 CO 0.24 -1.86 2.13 -1.00 -2.34 0.00 0.00 174.74 171.91 1ir1 h PRO 410 N 4.56 0.00 -0.15 2.88 0.13 -1.91 -2.36 132.00 135.16 1ir1 h PRO 410 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.73 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.41 1ir1 n TRP 411 N -3.46 0.16 0.00 1.56 8.01 -1.26 -5.09 117.44 117.37 1ir1 n TRP 411 Ca -0.00 -0.09 0.00 0.00 -1.31 0.00 0.00 57.50 56.10 1ir1 n TRP 411 Cb 0.27 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.57 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 1.32 -1.97 0.18 6.99 0.00 -0.89 -4.69 105.19 106.12 1ir1 n GLY 412 Ca 0.15 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.33 -0.11 1.61 4.21 -1.87 -1.56 115.58 117.53 1ir1 h ASN 413 Ca 0.00 0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.56 1ir1 h ASN 413 Cb 0.00 0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.27 1ir1 h ASN 413 CO 0.00 -0.22 -0.05 0.00 -1.29 0.00 0.00 177.43 175.87 1ir1 h ALA 414 N 0.44 0.04 -0.12 -0.83 0.00 -1.81 0.11 119.26 117.08 1ir1 h ALA 414 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ir1 h ALA 414 Cb 0.28 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ir1 h ALA 414 CO 0.02 -0.51 -0.17 -1.35 0.00 0.00 0.00 179.25 177.24 1ir1 h PRO 415 N -0.05 0.19 -0.63 0.00 0.11 -1.83 -0.75 132.00 129.04 1ir1 h PRO 415 Ca 0.06 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 1ir1 h PRO 415 Cb 0.14 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1ir1 h PRO 415 CO -0.14 0.37 0.05 0.78 -0.21 0.00 0.00 178.00 178.85 1ir1 h GLY 416 N 0.78 1.16 1.05 -0.55 0.00 -0.42 -0.90 103.07 104.19 1ir1 h GLY 416 Ca 0.04 -0.81 -0.13 0.00 0.00 0.00 0.00 47.33 46.42 1ir1 h GLY 416 CO 0.03 0.75 -0.27 0.00 0.00 0.00 0.00 176.54 177.05 1ir1 h ALA 417 N 1.04 0.54 -0.56 3.60 0.00 -0.28 -2.84 119.26 120.77 1ir1 h ALA 417 Ca 0.19 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ir1 h ALA 417 Cb 0.51 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1ir1 h ALA 417 CO 0.02 0.55 0.37 0.28 0.00 0.00 0.00 179.25 180.47 1ir1 h VAL 418 N 0.65 1.14 -0.68 0.00 2.07 -0.59 -0.49 116.25 118.35 1ir1 h VAL 418 Ca 0.07 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1ir1 h VAL 418 Cb 0.84 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1ir1 h VAL 418 CO 0.07 0.14 0.38 0.00 0.02 0.00 0.00 177.57 178.18 1ir1 h ALA 419 N 1.21 0.91 -0.27 1.67 0.00 -1.07 0.72 119.26 122.43 1ir1 h ALA 419 Ca 0.20 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1ir1 h ALA 419 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ir1 h ALA 419 CO -0.05 0.06 -0.50 -0.91 0.00 0.00 0.00 179.25 177.84 1ir1 h ASN 420 N 0.69 0.90 -0.58 0.00 2.35 -1.22 -1.23 115.58 116.50 1ir1 h ASN 420 Ca 0.30 -0.54 -0.08 0.00 -0.55 0.00 0.00 56.30 55.44 1ir1 h ASN 420 Cb 0.19 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1ir1 h ASN 420 CO -0.18 1.27 0.05 -0.09 -1.65 0.00 0.00 177.43 176.83 1ir1 h ARG 421 N 0.57 0.98 -0.17 0.81 9.65 -0.78 -1.42 114.38 124.02 1ir1 h ARG 421 Ca 0.01 -0.29 -0.03 0.00 -1.10 0.00 0.00 59.98 58.58 1ir1 h ARG 421 Cb 1.11 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.58 1ir1 h ARG 421 CO 0.11 0.95 0.00 0.28 2.80 0.00 0.00 179.97 184.12 1ir1 h VAL 422 N 0.87 1.25 -0.63 0.20 2.07 -0.86 -1.39 116.25 117.76 1ir1 h VAL 422 Ca 0.17 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1ir1 h VAL 422 Cb 0.48 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1ir1 h VAL 422 CO 0.02 0.25 0.34 0.00 0.02 0.00 0.00 177.57 178.20 1ir1 h ALA 423 N 0.78 0.84 -0.02 1.67 0.00 -1.12 -1.05 119.26 120.36 1ir1 h ALA 423 Ca 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ir1 h ALA 423 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ir1 h ALA 423 CO 0.01 0.00 0.01 1.25 0.00 0.00 0.00 179.25 180.52 1ir1 h LEU 424 N 0.63 0.03 -1.60 0.00 5.85 -1.13 -2.47 115.31 116.62 1ir1 h LEU 424 Ca 0.29 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1ir1 h LEU 424 Cb 0.19 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1ir1 h LEU 424 CO -0.19 0.19 -0.22 -0.33 -0.34 0.00 0.00 178.44 177.56 1ir1 h GLU 425 N -0.13 0.00 -0.29 1.25 5.08 -1.02 -0.95 114.58 118.52 1ir1 h GLU 425 Ca 0.01 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1ir1 h GLU 425 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1ir1 h GLU 425 CO -0.00 0.22 -0.37 0.00 -1.00 0.00 0.00 179.01 177.86 1ir1 h ALA 426 N 1.78 0.82 -0.12 3.43 0.00 -1.03 -0.86 119.26 123.29 1ir1 h ALA 426 Ca -0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.28 1ir1 h ALA 426 Cb 0.45 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ir1 h ALA 426 CO 0.03 0.64 -0.74 0.00 0.00 0.00 0.00 179.25 179.18 1ir1 h VAL 428 N 0.40 1.24 -0.22 0.00 2.07 -1.03 -1.10 116.25 117.61 1ir1 h VAL 428 Ca -0.04 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1ir1 h VAL 428 Cb 1.34 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1ir1 h VAL 428 CO 0.14 0.29 0.10 -0.61 0.02 0.00 0.00 177.57 177.51 1ir1 h GLN 429 N 0.46 0.32 -0.56 1.57 4.15 -1.17 -1.23 115.11 118.65 1ir1 h GLN 429 Ca 0.11 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1ir1 h GLN 429 Cb 0.37 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1ir1 h GLN 429 CO 0.01 0.35 0.37 0.00 -1.93 0.00 0.00 178.83 177.63 1ir1 h ALA 430 N 0.95 0.71 -0.29 3.38 0.00 -1.33 -1.46 119.26 121.23 1ir1 h ALA 430 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ir1 h ALA 430 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ir1 h ALA 430 CO -0.01 0.13 0.18 -0.09 0.00 0.00 0.00 179.25 179.47 1ir1 h ARG 431 N 0.74 0.39 -0.03 0.00 2.43 -1.06 -1.14 114.38 115.70 1ir1 h ARG 431 Ca 0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1ir1 h ARG 431 Cb -0.07 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1ir1 h ARG 431 CO -0.05 0.28 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.68 1ir1 h ASN 432 N 0.37 0.04 0.82 -3.80 2.35 -0.85 -0.36 115.58 114.16 1ir1 h ASN 432 Ca 0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1ir1 h ASN 432 Cb -0.01 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1ir1 h ASN 432 CO -0.02 0.15 0.00 -0.62 -1.65 0.00 0.00 177.43 175.29 1ir1 n GLU 433 N -4.39 0.12 0.00 0.81 1.02 -0.58 -4.90 120.64 112.71 1ir1 n GLU 433 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ir1 n GLU 433 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.27 1.05 3.83 0.62 0.00 -0.14 -5.09 105.19 106.72 1ir1 n GLY 434 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.65 4.16 -0.54 1.61 0.52 -0.47 -5.01 118.95 118.57 1ir1 s ARG 435 Ca 0.00 0.85 -0.27 0.00 -0.52 0.00 0.00 55.73 55.79 1ir1 s ARG 435 Cb 0.00 -2.56 0.03 0.00 0.52 0.00 0.00 34.95 32.94 1ir1 s ARG 435 CO 0.00 0.21 1.10 0.34 0.02 0.00 0.00 175.30 176.97 1ir1 s ASP 436 N -2.02 6.47 0.40 0.23 -1.08 -1.26 -4.37 116.67 115.04 1ir1 s ASP 436 Ca 0.52 0.09 0.11 0.00 -0.52 0.00 0.00 52.55 52.74 1ir1 s ASP 436 Cb -0.13 -2.52 0.84 0.00 -1.46 0.00 0.00 42.92 39.65 1ir1 s ASP 436 CO 0.18 -1.34 1.94 -0.07 0.52 0.00 0.00 175.17 176.40 1ir1 h LEU 437 N 11.45 0.18 -0.33 -1.34 3.38 -1.93 0.35 115.31 127.08 1ir1 h LEU 437 Ca -0.25 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.54 1ir1 h LEU 437 Cb 1.06 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1ir1 h LEU 437 CO 1.14 0.33 -0.37 0.00 0.09 0.00 0.00 178.44 179.63 1ir1 h ALA 438 N 1.69 0.48 0.06 1.53 0.00 -1.91 -1.54 119.26 119.58 1ir1 h ALA 438 Ca 0.04 -0.44 -0.31 0.00 0.00 0.00 0.00 54.91 54.19 1ir1 h ALA 438 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ir1 h ALA 438 CO 0.02 0.57 -1.73 0.00 0.00 0.00 0.00 179.25 178.11 1ir1 h ARG 439 N 0.60 0.13 -0.38 0.00 3.08 -1.93 -3.39 114.38 112.50 1ir1 h ARG 439 Ca 0.05 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1ir1 h ARG 439 Cb 0.96 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1ir1 h ARG 439 CO 0.09 0.86 0.00 0.39 -1.07 0.00 0.00 179.97 180.24 1ir1 n GLU 440 N -3.28 2.36 -0.30 0.04 1.02 0.12 -4.74 120.64 115.87 1ir1 n GLU 440 Ca -0.21 -2.15 -0.11 0.00 -0.02 0.00 0.00 57.16 54.67 1ir1 n GLU 440 Cb 1.04 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.95 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 3.65 -0.78 0.65 0.62 0.00 -1.41 -0.48 103.07 105.31 1ir1 h GLY 441 Ca 0.00 0.72 0.06 0.00 0.00 0.00 0.00 47.33 48.12 1ir1 h GLY 441 CO 0.00 -0.05 0.35 3.43 0.00 0.00 0.00 176.54 180.27 1ir1 h ASN 442 N -0.16 0.50 -0.69 0.19 -0.26 -1.86 -2.21 115.58 111.10 1ir1 h ASN 442 Ca 0.15 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.90 1ir1 h ASN 442 Cb 0.50 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.67 1ir1 h ASN 442 CO -0.80 0.32 0.34 0.74 -1.06 0.00 0.00 177.43 176.98 1ir1 h THR 443 N 0.64 1.22 -0.81 2.81 2.02 -1.66 -1.20 112.91 115.93 1ir1 h THR 443 Ca 0.30 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 1ir1 h THR 443 Cb 0.21 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1ir1 h THR 443 CO -0.20 0.26 0.44 0.40 0.37 0.00 0.00 175.52 176.80 1ir1 h ILE 444 N 0.95 1.24 -0.15 3.11 2.04 -0.65 -0.24 117.51 123.82 1ir1 h ILE 444 Ca 0.24 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1ir1 h ILE 444 Cb 0.10 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1ir1 h ILE 444 CO -0.03 0.27 -0.04 0.40 0.00 0.00 0.00 178.15 178.75 1ir1 h ILE 445 N 1.12 1.29 -0.72 -0.67 1.08 -1.12 -2.88 117.51 115.60 1ir1 h ILE 445 Ca 0.28 -0.99 0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1ir1 h ILE 445 Cb 0.03 1.63 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 1ir1 h ILE 445 CO -0.05 0.29 0.48 0.03 -0.69 0.00 0.00 178.15 178.21 1ir1 h ARG 446 N -0.01 0.94 -0.85 2.37 3.08 -0.99 -1.68 114.38 117.25 1ir1 h ARG 446 Ca 0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1ir1 h ARG 446 Cb 0.46 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1ir1 h ARG 446 CO 0.01 0.62 0.48 0.93 -1.07 0.00 0.00 179.97 180.95 1ir1 h GLU 447 N 0.97 1.17 0.00 0.04 5.08 -0.96 -2.51 114.58 118.37 1ir1 h GLU 447 Ca 0.27 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1ir1 h GLU 447 Cb -0.10 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 1ir1 h GLU 447 CO -0.06 0.84 -0.39 0.00 -1.00 0.00 0.00 179.01 178.40 1ir1 h ALA 448 N 1.35 1.01 0.00 3.43 0.00 -1.11 -2.86 119.26 121.08 1ir1 h ALA 448 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ir1 h ALA 448 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ir1 h ALA 448 CO -0.05 0.49 0.00 1.79 0.00 0.00 0.00 179.25 181.48 1ir1 h THR 449 N 0.00 0.00 -0.06 0.00 1.35 -0.95 -2.14 112.91 111.11 1ir1 h THR 449 Ca -0.00 -0.26 -0.11 0.00 -0.55 0.00 0.00 66.41 65.49 1ir1 h THR 449 Cb 0.90 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1ir1 h THR 449 CO 0.05 0.00 -0.47 0.11 -0.25 0.00 0.00 175.52 174.96 1ir1 h LYS 450 N 0.00 0.14 -0.00 4.72 1.79 -1.53 -3.29 116.57 118.39 1ir1 h LYS 450 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1ir1 h LYS 450 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1ir1 h LYS 450 CO 0.00 0.58 -0.15 -2.67 -1.08 0.00 0.00 179.45 176.13 1ir1 n TRP 451 N -3.98 0.00 -3.92 -1.35 4.27 -1.10 -4.89 117.44 106.47 1ir1 n TRP 451 Ca -0.02 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.27 1ir1 n TRP 451 Cb 0.51 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.32 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 -1.11 4.85 0.55 -0.67 0.15 -0.82 -4.95 113.70 111.68 1ir1 s SER 452 Ca 0.05 -2.34 0.31 0.00 0.70 0.00 0.00 55.95 54.67 1ir1 s SER 452 Cb 0.05 -1.70 1.56 0.00 -1.71 0.00 0.00 66.02 64.21 1ir1 s SER 452 CO 0.17 -0.39 2.09 1.55 1.20 0.00 0.00 173.24 177.85 1ir1 h PRO 453 N 7.47 0.00 -0.37 5.44 0.13 -1.88 -1.62 132.00 141.17 1ir1 h PRO 453 Ca -0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 1ir1 h PRO 453 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1ir1 h PRO 453 CO 0.61 0.09 -0.21 0.93 -0.23 0.00 0.00 178.00 179.19 1ir1 h GLU 454 N 0.00 0.79 -0.36 0.86 3.07 -1.92 -2.08 114.58 114.94 1ir1 h GLU 454 Ca -0.00 -0.36 -0.14 0.00 -0.50 0.00 0.00 59.36 58.36 1ir1 h GLU 454 Cb 0.34 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1ir1 h GLU 454 CO 0.01 0.99 -0.32 1.25 -1.40 0.00 0.00 179.01 179.53 1ir1 h LEU 455 N 0.59 0.90 -0.40 1.33 5.85 -1.78 -2.91 115.31 118.89 1ir1 h LEU 455 Ca 0.08 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1ir1 h LEU 455 Cb 0.76 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1ir1 h LEU 455 CO 0.06 1.17 0.09 0.00 -0.34 0.00 0.00 178.44 179.42 1ir1 h ALA 456 N 0.76 0.43 -0.68 1.25 0.00 -1.18 0.01 119.26 119.85 1ir1 h ALA 456 Ca 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ir1 h ALA 456 Cb 0.91 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1ir1 h ALA 456 CO 0.08 -0.32 0.41 0.00 0.00 0.00 0.00 179.25 179.42 1ir1 h ALA 457 N 1.30 1.45 -0.19 0.00 0.00 -1.35 -2.14 119.26 118.32 1ir1 h ALA 457 Ca 0.19 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1ir1 h ALA 457 Cb 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ir1 h ALA 457 CO -0.25 0.48 -0.36 0.00 0.00 0.00 0.00 179.25 179.13 1ir1 h ALA 458 N 1.52 0.29 -0.76 0.00 0.00 -1.13 -3.09 119.26 116.09 1ir1 h ALA 458 Ca 0.24 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1ir1 h ALA 458 Cb -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1ir1 h ALA 458 CO -0.05 0.36 0.51 0.00 0.00 0.00 0.00 179.25 180.07 1ir1 h GLU 460 N 1.00 1.05 -0.39 0.00 4.81 -1.39 -2.12 114.58 117.55 1ir1 h GLU 460 Ca 0.29 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 1ir1 h GLU 460 Cb -0.07 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1ir1 h GLU 460 CO -0.07 0.86 -0.30 0.28 -0.73 0.00 0.00 179.01 179.05 1ir1 h VAL 461 N 1.01 1.28 -0.33 0.32 2.07 -1.35 -3.35 116.25 115.90 1ir1 h VAL 461 Ca 0.24 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1ir1 h VAL 461 Cb 0.19 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ir1 h VAL 461 CO -0.02 0.49 0.00 0.79 0.02 0.00 0.00 177.57 178.85 1ir1 n TRP 462 N -4.14 0.68 -0.07 1.57 8.01 -1.06 -4.75 117.44 117.68 1ir1 n TRP 462 Ca -0.02 -0.64 0.19 0.00 -1.31 0.00 0.00 57.50 55.72 1ir1 n TRP 462 Cb 0.49 -0.14 0.64 0.00 -2.01 0.00 0.00 31.31 30.29 1ir1 n TRP 462 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 1ir1 h LYS 463 N 2.02 0.13 -0.02 -0.99 2.10 -1.52 -2.20 116.57 116.09 1ir1 h LYS 463 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1ir1 h LYS 463 Cb 1.03 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1ir1 h LYS 463 CO 0.09 0.08 -0.35 0.39 -2.00 0.00 0.00 179.45 177.67 1ir1 n GLU 464 N -4.40 1.32 -2.62 0.07 -0.58 -1.26 -4.94 120.64 108.23 1ir1 n GLU 464 Ca 0.12 -1.03 -0.43 0.00 -0.42 0.00 0.00 57.16 55.40 1ir1 n GLU 464 Cb 0.61 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.99 1ir1 n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1ir1 s ILE 465 N -2.39 4.45 0.03 -3.67 -1.09 -0.83 -5.02 121.20 112.68 1ir1 s ILE 465 Ca 0.22 1.64 -0.00 0.00 -2.23 0.00 0.00 60.65 60.28 1ir1 s ILE 465 Cb 0.19 -4.43 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1ir1 s ILE 465 CO 0.51 -0.56 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.09 1ir1 s LYS 466 N 3.80 0.45 -0.37 2.79 1.02 -1.26 -5.05 119.74 121.11 1ir1 s LYS 466 Ca 0.46 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.61 1ir1 s LYS 466 Cb -0.12 0.12 0.11 0.00 -0.52 0.00 0.00 37.83 37.42 1ir1 s LYS 466 CO 0.18 -0.07 0.10 -0.06 -0.92 0.00 0.00 175.35 174.59 1ir1 s PHE 467 N -2.45 3.22 -0.24 3.18 0.08 -1.26 -5.06 117.98 115.45 1ir1 s PHE 467 Ca -0.06 -2.78 -0.00 0.00 0.12 0.00 0.00 56.93 54.20 1ir1 s PHE 467 Cb -0.03 -2.65 0.07 0.00 -0.57 0.00 0.00 43.02 39.84 1ir1 s PHE 467 CO -0.04 -0.90 -0.01 -1.21 -0.10 0.00 0.00 175.22 172.96 1ir1 s GLU 468 N 0.80 1.28 0.05 0.44 2.02 -1.26 -4.80 118.70 117.23 1ir1 s GLU 468 Ca 0.12 -0.91 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 1ir1 s GLU 468 Cb -0.20 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 1ir1 s GLU 468 CO -0.09 -0.67 0.03 -0.06 0.02 0.00 0.00 175.26 174.49 1ir1 s PHE 469 N 1.50 0.35 0.32 1.61 0.08 -1.26 -5.14 117.98 115.44 1ir1 s PHE 469 Ca -0.02 -0.78 -0.29 0.00 0.12 0.00 0.00 56.93 55.96 1ir1 s PHE 469 Cb -0.18 -0.25 -0.11 0.00 -0.57 0.00 0.00 43.02 41.91 1ir1 s PHE 469 CO -0.09 -0.37 1.43 -2.14 -0.10 0.00 0.00 175.22 173.94 1ir1 s PRO 470 N -3.25 4.23 0.09 0.24 0.02 -1.26 -4.99 135.00 130.08 1ir1 s PRO 470 Ca 0.01 2.38 -0.20 0.00 0.02 0.00 0.00 61.00 63.21 1ir1 s PRO 470 Cb 0.03 -3.05 -0.07 0.00 0.02 0.00 0.00 34.50 31.43 1ir1 s PRO 470 CO -0.08 -0.40 0.59 0.00 -0.33 0.00 0.00 177.00 176.79 1ir1 s ALA 471 N -0.67 3.57 -0.13 -1.55 0.00 -1.26 -5.00 121.76 116.73 1ir1 s ALA 471 Ca 0.55 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 1ir1 s ALA 471 Cb -0.43 -2.67 -0.26 0.00 0.00 0.00 0.00 23.12 19.76 1ir1 s ALA 471 CO 0.52 0.39 0.57 0.52 0.00 0.00 0.00 175.76 177.76 1ir1 h MET 472 N 4.43 0.15 -5.68 0.00 2.86 -1.94 -3.41 114.93 111.33 1ir1 h MET 472 Ca -0.49 -0.26 -0.63 0.00 -2.06 0.00 0.00 59.70 56.26 1ir1 h MET 472 Cb 1.21 0.10 -0.13 0.00 0.06 0.00 0.00 31.60 32.84 1ir1 h MET 472 CO 0.64 1.12 1.19 0.34 1.06 0.00 0.00 176.91 181.26 1ir1 s ASP 473 N -6.83 6.52 0.24 1.22 2.15 -1.21 -4.32 116.67 114.44 1ir1 s ASP 473 Ca -0.21 -1.61 0.09 0.00 0.43 0.00 0.00 52.55 51.25 1ir1 s ASP 473 Cb 0.03 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 1ir1 s ASP 473 CO 0.72 -1.35 -0.01 0.28 -0.17 0.00 0.00 175.17 174.64 1ir1 s THR 474 N 4.10 3.49 -1.62 1.71 -1.32 -1.26 -4.66 115.64 116.08 1ir1 s THR 474 Ca 0.40 -1.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 1ir1 s THR 474 Cb -0.03 -2.84 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 1ir1 s THR 474 CO -0.08 -0.30 0.41 0.52 -2.21 0.00 0.00 174.62 172.95