#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 3.19 -0.37 4.31 5.36 -1.26 -5.02 117.98 124.20 1ir1 s PHE 13 Ca 0.00 0.10 -0.07 0.00 -0.96 0.00 0.00 56.93 56.00 1ir1 s PHE 13 Cb 0.00 -2.85 0.05 0.00 -0.34 0.00 0.00 43.02 39.88 1ir1 s PHE 13 CO 0.00 -0.52 0.15 0.21 -1.46 0.00 0.00 175.22 173.61 1ir1 s LYS 14 N 2.28 2.57 0.60 10.12 2.47 -1.26 -5.08 119.74 131.44 1ir1 s LYS 14 Ca 0.17 -1.30 -0.18 0.00 -1.56 0.00 0.00 55.97 53.09 1ir1 s LYS 14 Cb -0.16 -3.56 -0.03 0.00 -1.46 0.00 0.00 37.83 32.62 1ir1 s LYS 14 CO 0.13 -0.77 1.19 0.00 0.16 0.00 0.00 175.35 176.05 1ir1 s ALA 15 N 1.39 2.53 0.00 3.13 0.00 -1.26 -4.80 121.76 122.75 1ir1 s ALA 15 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1ir1 s ALA 15 Cb -0.21 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1ir1 s ALA 15 CO 0.02 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.02 1ir1 n GLY 16 N 0.36 3.15 3.75 0.00 0.00 -1.26 -4.99 105.19 106.20 1ir1 n GLY 16 Ca 0.13 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 1ir1 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ir1 s VAL 17 N -2.13 5.17 0.20 1.61 1.01 -1.26 -1.78 120.40 123.21 1ir1 s VAL 17 Ca 0.00 0.84 0.08 0.00 0.00 0.00 0.00 61.98 62.90 1ir1 s VAL 17 Cb 0.00 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1ir1 s VAL 17 CO 0.00 0.40 -0.15 -0.54 0.00 0.00 0.00 175.10 174.81 1ir1 s LYS 18 N 0.18 1.32 0.49 2.72 1.02 -1.26 -5.01 119.74 119.21 1ir1 s LYS 18 Ca 0.23 -1.55 -0.22 0.00 0.02 0.00 0.00 55.97 54.45 1ir1 s LYS 18 Cb -0.15 -1.18 -0.06 0.00 -0.52 0.00 0.00 37.83 35.91 1ir1 s LYS 18 CO 0.10 0.21 1.23 -0.51 -0.92 0.00 0.00 175.35 175.45 1ir1 s ASP 19 N -3.17 5.83 0.28 2.83 1.01 -1.26 -4.92 116.67 117.28 1ir1 s ASP 19 Ca 0.21 2.46 -0.01 0.00 0.71 0.00 0.00 52.55 55.92 1ir1 s ASP 19 Cb -0.02 -2.61 0.39 0.00 1.01 0.00 0.00 42.92 41.69 1ir1 s ASP 19 CO 0.07 -1.16 1.80 1.88 0.21 0.00 0.00 175.17 177.97 1ir1 h TYR 20 N 1.80 0.82 0.00 4.23 0.05 -1.92 -3.00 116.97 118.94 1ir1 h TYR 20 Ca -0.50 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.19 1ir1 h TYR 20 Cb 1.27 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1ir1 h TYR 20 CO 0.51 0.72 0.00 1.57 -1.05 0.00 0.00 178.16 179.91 1ir1 h LYS 21 N 0.74 0.00 -0.09 4.88 2.10 -1.84 0.12 116.57 122.49 1ir1 h LYS 21 Ca 0.16 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.76 1ir1 h LYS 21 Cb 0.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 1ir1 h LYS 21 CO 0.01 0.00 -0.17 -0.07 -2.00 0.00 0.00 179.45 177.22 1ir1 h LEU 22 N 0.00 0.14 0.00 7.07 4.07 -1.87 -3.11 115.31 121.61 1ir1 h LEU 22 Ca 0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.87 1ir1 h LEU 22 Cb 0.02 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1ir1 h LEU 22 CO 0.00 0.32 -1.24 0.41 -1.08 0.00 0.00 178.44 176.85 1ir1 n THR 23 N -4.27 0.23 0.28 0.22 -1.04 -0.73 -4.82 114.28 104.16 1ir1 n THR 23 Ca -0.01 -0.15 0.09 0.00 -2.04 0.00 0.00 64.05 61.94 1ir1 n THR 23 Cb 0.27 -0.85 0.16 0.00 -1.82 0.00 0.00 70.33 68.10 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 -2.11 0.37 -3.88 -1.42 4.01 0.36 -4.81 117.16 109.67 1ir1 n TYR 24 Ca -0.06 -0.23 -0.35 0.00 -0.16 0.00 0.00 57.90 57.10 1ir1 n TYR 24 Cb 0.59 -0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.49 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 -1.31 3.43 -0.61 -0.72 5.04 -1.18 -1.16 117.35 120.85 1ir1 s TYR 25 Ca 0.30 -2.20 0.05 0.00 -2.44 0.00 0.00 57.07 52.78 1ir1 s TYR 25 Cb 0.18 -2.57 0.18 0.00 0.35 0.00 0.00 41.96 40.10 1ir1 s TYR 25 CO 0.25 -0.88 0.47 0.25 -1.34 0.00 0.00 175.55 174.31 1ir1 n THR 26 N 4.56 0.80 0.17 4.34 -2.24 -0.32 -4.89 114.28 116.71 1ir1 n THR 26 Ca -0.08 -4.46 0.07 0.00 -2.27 0.00 0.00 64.05 57.31 1ir1 n THR 26 Cb 0.42 -2.02 0.33 0.00 -2.10 0.00 0.00 70.33 66.96 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 2.09 0.08 0.00 -0.78 -0.04 -1.26 -1.64 135.00 133.45 1ir1 n PRO 27 Ca 0.24 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.34 1ir1 n PRO 27 Cb 0.40 -1.73 0.30 0.00 -0.04 0.00 0.00 33.50 32.43 1ir1 n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ir1 n GLU 28 N -1.89 1.96 -2.17 0.54 0.00 -1.26 -4.88 120.64 112.95 1ir1 n GLU 28 Ca 0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 57.16 55.31 1ir1 n GLU 28 Cb 0.06 -1.47 -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 -2.03 3.21 -0.26 -1.84 5.04 -0.65 -5.01 117.35 115.81 1ir1 s TYR 29 Ca 0.32 1.13 -0.07 0.00 -2.44 0.00 0.00 57.07 56.01 1ir1 s TYR 29 Cb 0.20 -3.66 -0.02 0.00 0.35 0.00 0.00 41.96 38.83 1ir1 s TYR 29 CO 0.33 -2.13 0.07 -1.21 -1.34 0.00 0.00 175.55 171.27 1ir1 s GLU 30 N 0.06 3.57 0.63 4.97 2.02 -1.26 -4.99 118.70 123.70 1ir1 s GLU 30 Ca 0.59 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 54.86 1ir1 s GLU 30 Cb -0.38 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.50 1ir1 s GLU 30 CO 0.38 -0.23 1.25 0.95 0.02 0.00 0.00 175.26 177.62 1ir1 s THR 31 N 1.60 2.34 0.23 3.63 -4.23 -1.26 -5.03 115.64 112.92 1ir1 s THR 31 Ca 0.06 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1ir1 s THR 31 Cb -0.15 -3.05 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 1ir1 s THR 31 CO 0.03 -0.05 0.39 -0.76 -0.54 0.00 0.00 174.62 173.69 1ir1 s LEU 32 N -4.30 4.25 0.00 4.79 1.43 -1.26 -4.99 118.68 118.60 1ir1 s LEU 32 Ca 0.79 0.24 0.22 0.00 -1.03 0.00 0.00 54.13 54.35 1ir1 s LEU 32 Cb -0.33 -3.02 1.15 0.00 0.03 0.00 0.00 46.19 44.01 1ir1 s LEU 32 CO 0.37 -0.08 1.70 0.47 0.23 0.00 0.00 176.35 179.05 1ir1 n ASP 33 N -1.13 0.00 -0.41 2.29 8.00 -1.26 -2.44 116.55 121.60 1ir1 n ASP 33 Ca -0.07 -0.18 0.09 0.00 0.71 0.00 0.00 54.79 55.34 1ir1 n ASP 33 Cb 0.55 -0.22 -0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.22 0.00 -2.70 -3.53 -2.24 -1.26 -4.54 114.28 98.79 1ir1 n THR 34 Ca 0.12 -0.32 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1ir1 n THR 34 Cb 0.15 1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 -2.06 6.76 -0.20 3.42 1.01 -1.02 -3.70 116.67 120.88 1ir1 s ASP 35 Ca 0.15 1.81 -0.16 0.00 0.71 0.00 0.00 52.55 55.06 1ir1 s ASP 35 Cb 0.14 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1ir1 s ASP 35 CO 0.45 -0.48 0.40 -0.63 0.21 0.00 0.00 175.17 175.12 1ir1 s ILE 36 N -2.02 5.19 -0.08 0.77 1.09 0.22 -4.22 121.20 122.14 1ir1 s ILE 36 Ca 0.62 0.72 -0.02 0.00 -1.10 0.00 0.00 60.65 60.87 1ir1 s ILE 36 Cb -0.13 -3.73 -0.03 0.00 -1.06 0.00 0.00 42.46 37.50 1ir1 s ILE 36 CO 0.17 0.24 0.00 -0.76 -0.10 0.00 0.00 174.94 174.50 1ir1 s LEU 37 N 1.36 3.58 -0.01 2.97 1.43 -0.94 -0.28 118.68 126.79 1ir1 s LEU 37 Ca 0.19 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 1ir1 s LEU 37 Cb -0.15 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1ir1 s LEU 37 CO 0.08 0.37 -0.15 0.00 0.23 0.00 0.00 176.35 176.88 1ir1 s ALA 38 N -0.89 1.29 -0.34 4.21 0.00 0.64 0.11 121.76 126.77 1ir1 s ALA 38 Ca 0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 1ir1 s ALA 38 Cb -0.11 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.75 1ir1 s ALA 38 CO 0.03 0.31 0.10 0.00 0.00 0.00 0.00 175.76 176.20 1ir1 s ALA 39 N -0.40 3.00 -0.15 0.00 0.00 -0.69 -0.83 121.76 122.70 1ir1 s ALA 39 Ca 0.06 -1.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.02 1ir1 s ALA 39 Cb -0.06 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1ir1 s ALA 39 CO -0.00 -1.43 0.09 -0.06 0.00 0.00 0.00 175.76 174.36 1ir1 s PHE 40 N 1.30 3.38 -0.50 0.00 0.08 -0.10 -0.94 117.98 121.20 1ir1 s PHE 40 Ca -0.01 0.29 -0.19 0.00 0.12 0.00 0.00 56.93 57.14 1ir1 s PHE 40 Cb -0.20 -2.00 0.05 0.00 -0.57 0.00 0.00 43.02 40.30 1ir1 s PHE 40 CO 0.00 0.42 0.63 0.50 -0.10 0.00 0.00 175.22 176.67 1ir1 s ARG 41 N -0.30 3.14 -0.18 0.44 3.52 0.21 -0.24 118.95 125.54 1ir1 s ARG 41 Ca 0.09 -0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 54.80 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 0.01 -1.20 0.03 0.08 -0.81 0.00 0.00 175.30 173.42 1ir1 s VAL 42 N 2.66 4.50 -0.40 7.11 1.01 0.16 -1.33 120.40 134.12 1ir1 s VAL 42 Ca 0.16 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.04 1ir1 s VAL 42 Cb -0.19 -3.02 0.11 0.00 0.00 0.00 0.00 36.38 33.29 1ir1 s VAL 42 CO 0.13 0.47 0.12 -0.44 0.00 0.00 0.00 175.10 175.37 1ir1 s SER 43 N 0.40 4.59 0.70 3.32 0.01 -0.82 -0.97 113.70 120.92 1ir1 s SER 43 Ca 0.01 -2.43 -0.11 0.00 1.31 0.00 0.00 55.95 54.73 1ir1 s SER 43 Cb -0.13 -1.60 0.01 0.00 0.21 0.00 0.00 66.02 64.51 1ir1 s SER 43 CO 0.01 -0.33 1.07 -2.84 0.41 0.00 0.00 173.24 171.56 1ir1 s PRO 44 N 0.53 2.82 0.58 12.44 0.02 -1.26 -0.13 135.00 150.01 1ir1 s PRO 44 Ca 0.13 1.03 -0.15 0.00 0.02 0.00 0.00 61.00 62.03 1ir1 s PRO 44 Cb -0.21 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 1ir1 s PRO 44 CO -0.06 -1.19 1.04 -0.65 -0.33 0.00 0.00 177.00 175.81 1ir1 s GLN 45 N -4.91 3.45 0.26 5.54 -1.52 -0.66 -4.45 119.66 117.37 1ir1 s GLN 45 Ca 0.59 1.10 -0.31 0.00 -1.95 0.00 0.00 55.36 54.80 1ir1 s GLN 45 Cb -0.15 -2.06 -0.13 0.00 -0.22 0.00 0.00 33.01 30.45 1ir1 s GLN 45 CO 0.53 -0.69 1.36 -2.30 -0.25 0.00 0.00 175.29 173.94 1ir1 n PRO 46 N -2.05 1.98 -0.11 2.91 -0.02 -1.26 -1.82 135.00 134.63 1ir1 n PRO 46 Ca 0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1ir1 n PRO 46 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.87 1.25 3.55 -1.23 0.00 -1.26 -5.03 105.19 104.35 1ir1 n GLY 47 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.59 5.29 0.49 1.61 1.01 -0.75 -5.06 120.40 120.39 1ir1 s VAL 48 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1ir1 s VAL 48 Cb 0.00 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 1ir1 s VAL 48 CO 0.00 0.06 1.33 -2.84 0.00 0.00 0.00 175.10 173.65 1ir1 s PRO 49 N 1.75 3.49 0.48 2.72 0.02 -1.26 -4.74 135.00 137.46 1ir1 s PRO 49 Ca 0.07 2.18 0.14 0.00 0.02 0.00 0.00 61.00 63.40 1ir1 s PRO 49 Cb -0.17 -2.44 1.15 0.00 0.02 0.00 0.00 34.50 33.06 1ir1 s PRO 49 CO 0.11 -0.89 2.10 -1.00 -0.33 0.00 0.00 177.00 176.99 1ir1 h PRO 50 N 1.93 0.18 -0.38 5.54 0.13 -1.98 -1.17 132.00 136.24 1ir1 h PRO 50 Ca -0.50 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.52 1ir1 h PRO 50 Cb 1.28 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1ir1 h PRO 50 CO 0.59 0.12 -0.14 0.93 -0.23 0.00 0.00 178.00 179.27 1ir1 h GLU 51 N 0.18 0.69 0.03 0.86 3.07 -1.99 0.40 114.58 117.83 1ir1 h GLU 51 Ca 0.08 -0.23 -0.25 0.00 -0.50 0.00 0.00 59.36 58.46 1ir1 h GLU 51 Cb 0.08 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1ir1 h GLU 51 CO -0.01 0.80 -1.03 1.49 -1.40 0.00 0.00 179.01 178.85 1ir1 h GLU 52 N 0.62 0.46 -0.39 2.33 4.57 -1.72 -1.92 114.58 118.55 1ir1 h GLU 52 Ca 0.10 -0.54 -0.08 0.00 -1.18 0.00 0.00 59.36 57.66 1ir1 h GLU 52 Cb 0.59 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 1ir1 h GLU 52 CO 0.04 1.19 -0.08 0.00 -1.18 0.00 0.00 179.01 178.98 1ir1 h ALA 53 N 0.62 0.53 -0.45 2.92 0.00 -1.07 -0.12 119.26 121.70 1ir1 h ALA 53 Ca -0.11 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1ir1 h ALA 53 Cb 1.69 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1ir1 h ALA 53 CO 0.18 0.38 -0.16 0.78 0.00 0.00 0.00 179.25 180.44 1ir1 h GLY 54 N 0.55 0.92 1.36 0.00 0.00 -0.97 -2.51 103.07 102.42 1ir1 h GLY 54 Ca 0.10 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1ir1 h GLY 54 CO 0.04 0.68 -0.22 0.00 0.00 0.00 0.00 176.54 177.04 1ir1 h ALA 55 N 1.07 0.92 -0.41 3.60 0.00 -1.18 -2.08 119.26 121.17 1ir1 h ALA 55 Ca 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ir1 h ALA 55 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ir1 h ALA 55 CO 0.05 0.62 0.19 0.00 0.00 0.00 0.00 179.25 180.10 1ir1 h ALA 56 N 1.11 0.53 -0.20 0.00 0.00 -0.83 0.36 119.26 120.24 1ir1 h ALA 56 Ca 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ir1 h ALA 56 Cb 0.71 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ir1 h ALA 56 CO 0.05 0.11 0.12 0.28 0.00 0.00 0.00 179.25 179.81 1ir1 h VAL 57 N 0.52 1.03 -0.63 0.00 2.07 -1.31 -1.30 116.25 116.64 1ir1 h VAL 57 Ca 0.14 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1ir1 h VAL 57 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1ir1 h VAL 57 CO -0.02 0.04 0.34 0.00 0.02 0.00 0.00 177.57 177.96 1ir1 h ALA 58 N 1.08 0.81 0.52 1.67 0.00 -1.17 -2.89 119.26 119.28 1ir1 h ALA 58 Ca 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ir1 h ALA 58 Cb -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ir1 h ALA 58 CO -0.03 0.32 -0.25 0.00 0.00 0.00 0.00 179.25 179.29 1ir1 h ALA 59 N 1.16 -0.70 0.00 0.00 0.00 -0.67 -3.11 119.26 115.93 1ir1 h ALA 59 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ir1 h ALA 59 Cb 0.04 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ir1 h ALA 59 CO -0.04 -0.76 0.00 0.39 0.00 0.00 0.00 179.25 178.84 1ir1 n GLU 60 N -5.30 0.65 -0.08 0.00 -0.58 -0.51 -1.23 120.64 113.59 1ir1 n GLU 60 Ca -0.11 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.66 1ir1 n GLU 60 Cb 0.32 -1.42 0.07 0.00 -0.57 0.00 0.00 31.44 29.85 1ir1 n GLU 60 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ir1 n SER 61 N -0.92 2.44 0.00 1.62 3.41 -1.09 -4.69 113.62 114.40 1ir1 n SER 61 Ca 0.13 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1ir1 n SER 61 Cb 0.06 -0.11 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 -0.03 0.00 0.00 4.04 3.41 -0.88 -4.32 113.62 115.84 1ir1 n SER 62 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1ir1 n SER 62 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.68 0.00 -3.02 6.66 -2.24 -0.98 -4.95 114.28 108.07 1ir1 n THR 63 Ca 0.00 -0.06 -0.18 0.00 -2.27 0.00 0.00 64.05 61.54 1ir1 n THR 63 Cb 0.00 0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 -0.82 1.89 0.15 3.38 0.00 -0.37 -5.02 107.32 106.53 1ir1 s GLY 64 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 42.94 1ir1 s GLY 64 CO 0.00 -1.55 0.10 -0.37 0.00 0.00 0.00 173.10 171.29 1ir1 n THR 65 N -1.96 0.00 0.40 0.90 5.66 -1.26 -4.19 114.28 113.83 1ir1 n THR 65 Ca 0.10 -1.01 0.11 0.00 -3.05 0.00 0.00 64.05 60.20 1ir1 n THR 65 Cb 0.60 0.47 0.46 0.00 -1.55 0.00 0.00 70.33 70.31 1ir1 n THR 65 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 1ir1 n TRP 66 N -0.30 0.67 -4.05 1.09 4.27 -1.26 -4.82 117.44 113.04 1ir1 n TRP 66 Ca 0.02 0.27 -0.09 0.00 -3.89 0.00 0.00 57.50 53.81 1ir1 n TRP 66 Cb 0.25 -0.93 -0.09 0.00 -1.36 0.00 0.00 31.31 29.19 1ir1 n TRP 66 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1ir1 s THR 67 N -3.27 0.14 0.13 -1.67 -1.32 -1.26 -4.66 115.64 103.73 1ir1 s THR 67 Ca 0.04 -1.67 -0.31 0.00 -1.21 0.00 0.00 61.69 58.55 1ir1 s THR 67 Cb 0.09 -1.71 -0.08 0.00 -1.51 0.00 0.00 72.50 69.29 1ir1 s THR 67 CO 0.36 -0.65 1.31 -0.89 -2.21 0.00 0.00 174.62 172.54 1ir1 s THR 68 N -3.96 3.46 -0.05 5.08 2.01 -0.73 -5.01 115.64 116.44 1ir1 s THR 68 Ca 0.14 1.09 0.05 0.00 0.31 0.00 0.00 61.69 63.28 1ir1 s THR 68 Cb 0.07 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1ir1 s THR 68 CO -0.05 0.11 -0.19 0.68 -0.69 0.00 0.00 174.62 174.48 1ir1 s VAL 69 N 0.77 2.61 0.40 3.82 -7.23 -1.26 -4.55 120.40 114.95 1ir1 s VAL 69 Ca 0.60 -0.89 0.16 0.00 -1.81 0.00 0.00 61.98 60.05 1ir1 s VAL 69 Cb -0.35 -1.99 0.16 0.00 0.56 0.00 0.00 36.38 34.76 1ir1 s VAL 69 CO 0.32 0.58 1.92 4.11 -0.31 0.00 0.00 175.10 181.73 1ir1 h TRP 70 N 5.60 0.00 0.00 2.82 5.08 -1.96 -3.06 115.95 124.44 1ir1 h TRP 70 Ca -0.42 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.55 1ir1 h TRP 70 Cb 1.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 1ir1 h TRP 70 CO 0.46 0.26 0.03 1.79 -1.28 0.00 0.00 178.44 179.69 1ir1 h THR 71 N 0.00 0.00 -0.21 0.12 1.35 -2.03 -1.74 112.91 110.41 1ir1 h THR 71 Ca -0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1ir1 h THR 71 Cb 0.49 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1ir1 h THR 71 CO 0.03 0.00 0.14 0.44 -0.25 0.00 0.00 175.52 175.88 1ir1 h ASP 72 N 0.00 0.19 0.68 5.36 3.32 -1.91 -1.54 116.42 122.52 1ir1 h ASP 72 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ir1 h ASP 72 Cb 0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ir1 h ASP 72 CO 0.00 0.13 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 1ir1 n GLY 73 N -1.52 -1.19 0.17 2.75 0.00 -0.65 -2.60 105.19 102.14 1ir1 n GLY 73 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1ir1 n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ir1 h LEU 74 N 0.00 0.00 0.00 0.99 3.38 -1.47 -3.47 115.31 114.75 1ir1 h LEU 74 Ca 0.00 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1ir1 h LEU 74 Cb 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1ir1 h LEU 74 CO 0.00 0.00 -0.26 1.07 0.09 0.00 0.00 178.44 179.35 1ir1 n THR 75 N -2.72 0.00 -3.63 0.22 5.66 -1.07 -5.10 114.28 107.63 1ir1 n THR 75 Ca 0.04 -1.29 -0.39 0.00 -3.05 0.00 0.00 64.05 59.36 1ir1 n THR 75 Cb 0.49 0.39 -0.08 0.00 -1.55 0.00 0.00 70.33 69.58 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 -2.41 5.58 0.50 1.09 3.84 -1.26 -4.95 114.94 117.32 1ir1 s ASN 76 Ca 0.07 -2.67 0.16 0.00 0.21 0.00 0.00 52.86 50.63 1ir1 s ASN 76 Cb 0.00 -1.94 1.18 0.00 -0.55 0.00 0.00 41.25 39.95 1ir1 s ASN 76 CO 0.05 -0.45 2.10 0.25 -2.79 0.00 0.00 177.10 176.26 1ir1 h LEU 77 N 7.39 0.00 -2.06 3.21 5.85 -1.99 -2.12 115.31 125.59 1ir1 h LEU 77 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ir1 h LEU 77 Cb 0.99 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1ir1 h LEU 77 CO 0.74 0.06 -0.03 0.44 -0.34 0.00 0.00 178.44 179.30 1ir1 h ASP 78 N 0.00 0.00 1.59 1.25 3.32 -1.96 0.15 116.42 120.77 1ir1 h ASP 78 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ir1 h ASP 78 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1ir1 h ASP 78 CO 0.01 0.03 -0.42 -0.09 -1.72 0.00 0.00 179.24 177.05 1ir1 h ARG 79 N 0.00 0.00 0.00 3.56 2.43 -1.82 -3.39 114.38 115.17 1ir1 h ARG 79 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1ir1 h ARG 79 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1ir1 h ARG 79 CO 0.00 0.02 -1.32 0.66 -1.51 0.00 0.00 179.97 177.83 1ir1 n TYR 80 N -2.94 0.00 -1.82 2.20 4.01 -0.70 -4.86 117.16 113.04 1ir1 n TYR 80 Ca 0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.38 1ir1 n TYR 80 Cb 0.55 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 39.41 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 -2.25 3.28 0.43 -0.72 -2.85 0.43 -4.59 119.74 113.48 1ir1 s LYS 81 Ca -0.02 2.23 -0.20 0.00 -1.00 0.00 0.00 55.97 56.98 1ir1 s LYS 81 Cb 0.02 -2.34 -0.10 0.00 -2.06 0.00 0.00 37.83 33.35 1ir1 s LYS 81 CO 0.23 -1.07 0.94 0.20 0.10 0.00 0.00 175.35 175.74 1ir1 s GLY 82 N -0.91 2.33 -0.02 0.59 0.00 -1.26 -4.57 107.32 103.47 1ir1 s GLY 82 Ca 0.69 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.75 1ir1 s GLY 82 CO 0.48 0.60 -0.04 0.50 0.00 0.00 0.00 173.10 174.65 1ir1 s ARG 83 N -3.30 0.54 -0.45 2.90 0.52 -0.23 -4.63 118.95 114.29 1ir1 s ARG 83 Ca 0.61 -0.09 -0.22 0.00 -0.52 0.00 0.00 55.73 55.51 1ir1 s ARG 83 Cb -0.09 -0.58 0.03 0.00 0.52 0.00 0.00 34.95 34.83 1ir1 s ARG 83 CO 0.16 -0.02 0.72 0.00 0.02 0.00 0.00 175.30 176.19 1ir1 n TYR 85 N 6.52 0.00 -3.65 0.00 0.18 -0.74 -1.17 117.16 118.30 1ir1 n TYR 85 Ca 0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.65 1ir1 n TYR 85 Cb 0.48 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.36 1ir1 n TYR 85 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1ir1 s HIS 86 N -2.03 -0.73 -0.03 -3.48 5.04 -1.24 -4.24 115.29 108.57 1ir1 s HIS 86 Ca 0.11 1.78 0.03 0.00 -1.54 0.00 0.00 55.06 55.45 1ir1 s HIS 86 Cb 0.13 0.26 0.00 0.00 0.04 0.00 0.00 32.58 33.00 1ir1 s HIS 86 CO 0.46 -0.35 -0.11 0.42 -2.34 0.00 0.00 174.74 172.82 1ir1 s ILE 87 N 0.38 0.90 -0.03 0.89 1.01 -1.26 -1.22 121.20 121.87 1ir1 s ILE 87 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1ir1 s ILE 87 Cb -0.05 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.66 1ir1 s ILE 87 CO 0.00 0.27 -0.01 -0.70 0.00 0.00 0.00 174.94 174.51 1ir1 s GLU 88 N 0.12 0.36 0.38 2.79 2.12 -0.54 -4.98 118.70 118.94 1ir1 s GLU 88 Ca -0.02 0.04 -0.26 0.00 0.36 0.00 0.00 54.97 55.09 1ir1 s GLU 88 Cb -0.09 -0.50 -0.09 0.00 0.26 0.00 0.00 34.13 33.71 1ir1 s GLU 88 CO 0.01 -0.11 1.13 -2.14 -0.54 0.00 0.00 175.26 173.60 1ir1 s PRO 89 N 0.92 4.19 -0.20 4.30 0.02 -1.26 0.01 135.00 142.99 1ir1 s PRO 89 Ca -0.10 1.76 -0.18 0.00 0.02 0.00 0.00 61.00 62.50 1ir1 s PRO 89 Cb -0.13 -2.74 -0.03 0.00 0.02 0.00 0.00 34.50 31.62 1ir1 s PRO 89 CO -0.01 -0.17 0.51 0.08 -0.33 0.00 0.00 177.00 177.07 1ir1 s VAL 90 N -1.43 5.11 0.22 3.83 1.01 -0.24 -4.82 120.40 124.09 1ir1 s VAL 90 Ca 0.55 0.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1ir1 s VAL 90 Cb -0.29 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1ir1 s VAL 90 CO 0.36 0.18 1.03 0.00 0.00 0.00 0.00 175.10 176.68 1ir1 s ALA 91 N 1.60 3.35 0.00 5.51 0.00 -1.26 -3.45 121.76 127.51 1ir1 s ALA 91 Ca 0.24 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1ir1 s ALA 91 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1ir1 s ALA 91 CO 0.09 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1ir1 n GLY 92 N 1.65 2.14 3.63 0.00 0.00 -1.26 -5.03 105.19 106.32 1ir1 n GLY 92 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.75 2.04 -0.10 1.61 0.41 -1.22 -5.13 118.70 115.56 1ir1 s GLU 93 Ca 0.00 -1.84 0.01 0.00 -0.41 0.00 0.00 54.97 52.73 1ir1 s GLU 93 Cb 0.00 -1.86 -0.02 0.00 -1.78 0.00 0.00 34.13 30.47 1ir1 s GLU 93 CO 0.00 0.08 -0.12 -2.00 -0.49 0.00 0.00 175.26 172.73 1ir1 s GLU 94 N -3.72 3.05 -1.36 1.61 2.56 -1.26 -4.66 118.70 114.91 1ir1 s GLU 94 Ca 0.35 -0.66 -0.01 0.00 0.00 0.00 0.00 54.97 54.65 1ir1 s GLU 94 Cb 0.02 -2.56 -0.00 0.00 2.00 0.00 0.00 34.13 33.59 1ir1 s GLU 94 CO 0.19 0.40 0.52 -1.71 -0.56 0.00 0.00 175.26 174.10 1ir1 n ASN 95 N 2.98 -0.77 -3.94 -1.70 5.15 -1.26 -4.99 115.26 110.73 1ir1 n ASN 95 Ca -0.18 -0.95 -0.18 0.00 -0.60 0.00 0.00 54.58 52.67 1ir1 n ASN 95 Cb 0.53 -3.40 -0.15 0.00 -0.53 0.00 0.00 39.78 36.22 1ir1 n ASN 95 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1ir1 s GLN 96 N -6.33 0.69 0.06 1.20 0.74 -1.26 -4.06 119.66 110.70 1ir1 s GLN 96 Ca 0.02 -0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.26 1ir1 s GLN 96 Cb -0.01 -0.68 -0.03 0.00 1.10 0.00 0.00 33.01 33.39 1ir1 s GLN 96 CO 0.86 0.04 -0.06 0.71 -0.55 0.00 0.00 175.29 176.30 1ir1 s TYR 97 N 0.33 0.69 -0.29 1.67 1.51 -0.15 -1.08 117.35 120.03 1ir1 s TYR 97 Ca -0.04 -0.77 -0.11 0.00 -1.01 0.00 0.00 57.07 55.14 1ir1 s TYR 97 Cb -0.08 -0.42 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 1ir1 s TYR 97 CO 0.00 -0.17 0.18 0.42 -1.11 0.00 0.00 175.55 174.87 1ir1 s ILE 98 N -2.72 5.12 -0.17 2.71 -1.09 0.10 0.38 121.20 125.53 1ir1 s ILE 98 Ca 0.01 -0.00 -0.03 0.00 -2.23 0.00 0.00 60.65 58.40 1ir1 s ILE 98 Cb -0.01 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 1ir1 s ILE 98 CO -0.04 0.19 -0.07 0.00 -1.23 0.00 0.00 174.94 173.80 1ir1 s TYR 100 N 0.67 3.41 -0.04 0.00 1.51 -0.36 -0.92 117.35 121.62 1ir1 s TYR 100 Ca -0.04 0.44 0.07 0.00 -1.01 0.00 0.00 57.07 56.53 1ir1 s TYR 100 Cb -0.15 -2.29 -0.01 0.00 -0.11 0.00 0.00 41.96 39.40 1ir1 s TYR 100 CO 0.02 0.19 -0.24 0.08 -1.11 0.00 0.00 175.55 174.49 1ir1 s VAL 101 N 0.64 1.95 -0.11 0.71 1.01 -0.01 -1.79 120.40 122.81 1ir1 s VAL 101 Ca 0.12 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1ir1 s VAL 101 Cb -0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1ir1 s VAL 101 CO 0.02 0.55 -0.06 0.00 0.00 0.00 0.00 175.10 175.61 1ir1 s ALA 102 N -0.34 2.97 -0.11 5.51 0.00 0.24 -0.26 121.76 129.76 1ir1 s ALA 102 Ca 0.03 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1ir1 s ALA 102 Cb -0.12 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.66 1ir1 s ALA 102 CO 0.01 0.42 -0.18 0.71 0.00 0.00 0.00 175.76 176.72 1ir1 s TYR 103 N -0.29 2.21 0.53 0.00 2.02 0.61 -1.07 117.35 121.36 1ir1 s TYR 103 Ca 0.04 -1.02 -0.22 0.00 -0.37 0.00 0.00 57.07 55.50 1ir1 s TYR 103 Cb -0.13 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1ir1 s TYR 103 CO 0.02 -0.49 1.32 -2.14 -1.57 0.00 0.00 175.55 172.70 1ir1 s PRO 104 N 0.80 3.28 0.41 -1.71 0.02 -1.26 -0.61 135.00 135.93 1ir1 s PRO 104 Ca -0.09 2.14 0.13 0.00 0.02 0.00 0.00 61.00 63.19 1ir1 s PRO 104 Cb -0.16 -2.29 0.97 0.00 0.02 0.00 0.00 34.50 33.04 1ir1 s PRO 104 CO 0.01 -1.05 1.93 1.25 -0.33 0.00 0.00 177.00 178.81 1ir1 h LEU 105 N 1.60 0.47 -2.74 -5.54 5.85 -1.94 -2.38 115.31 110.63 1ir1 h LEU 105 Ca -0.51 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 1ir1 h LEU 105 Cb 1.29 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1ir1 h LEU 105 CO 0.58 0.26 -0.00 0.44 -0.34 0.00 0.00 178.44 179.37 1ir1 h ASP 106 N 0.51 0.00 0.66 1.25 5.19 -1.91 -2.89 116.42 119.23 1ir1 h ASP 106 Ca 0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.77 1ir1 h ASP 106 Cb 0.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1ir1 h ASP 106 CO -0.12 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.18 1ir1 n LEU 107 N -3.18 0.00 -4.50 1.55 4.77 -0.90 -4.84 117.00 109.90 1ir1 n LEU 107 Ca -0.03 0.49 -0.31 0.00 -0.03 0.00 0.00 56.01 56.13 1ir1 n LEU 107 Cb 0.10 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 1ir1 n LEU 107 CO 0.22 -0.16 -0.45 -0.36 -1.33 0.00 0.00 177.39 175.30 1ir1 s PHE 108 N -2.99 2.68 0.03 -1.77 0.08 -1.09 -5.02 117.98 109.91 1ir1 s PHE 108 Ca 0.10 -0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.68 1ir1 s PHE 108 Cb 0.13 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 1ir1 s PHE 108 CO 0.35 0.28 0.95 -2.00 -0.10 0.00 0.00 175.22 174.70 1ir1 s GLU 109 N -1.34 4.59 0.23 0.44 2.12 -1.26 -4.98 118.70 118.50 1ir1 s GLU 109 Ca 0.15 1.38 -0.32 0.00 0.36 0.00 0.00 54.97 56.54 1ir1 s GLU 109 Cb -0.11 -3.43 -0.12 0.00 0.26 0.00 0.00 34.13 30.73 1ir1 s GLU 109 CO 0.05 0.06 1.59 0.39 -0.54 0.00 0.00 175.26 176.81 1ir1 n GLU 110 N 3.49 2.50 -1.25 4.30 4.71 -1.26 -2.67 120.64 130.45 1ir1 n GLU 110 Ca 0.04 0.89 -0.09 0.00 -0.01 0.00 0.00 57.16 58.00 1ir1 n GLU 110 Cb 0.50 -2.67 -0.04 0.00 -1.01 0.00 0.00 31.44 28.23 1ir1 n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ir1 n GLY 111 N 2.92 0.98 3.01 0.62 0.00 -1.22 -4.99 105.19 106.51 1ir1 n GLY 111 Ca 0.13 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.57 4.55 0.28 1.61 0.15 -1.09 -4.93 113.70 111.70 1ir1 s SER 112 Ca 0.00 -1.81 0.03 0.00 0.70 0.00 0.00 55.95 54.86 1ir1 s SER 112 Cb 0.00 -1.52 0.42 0.00 -1.71 0.00 0.00 66.02 63.21 1ir1 s SER 112 CO 0.00 -0.31 1.73 0.58 1.20 0.00 0.00 173.24 176.44 1ir1 h VAL 113 N 6.66 1.26 -0.53 4.45 2.07 -1.94 -2.38 116.25 125.84 1ir1 h VAL 113 Ca -0.10 -1.24 0.08 0.00 0.82 0.00 0.00 66.70 66.26 1ir1 h VAL 113 Cb 1.03 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 1ir1 h VAL 113 CO 0.49 0.39 0.18 0.74 0.02 0.00 0.00 177.57 179.40 1ir1 h THR 114 N 0.43 0.81 -0.45 2.57 2.02 -1.92 -1.55 112.91 114.82 1ir1 h THR 114 Ca 0.06 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.98 1ir1 h THR 114 Cb 0.65 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1ir1 h THR 114 CO 0.05 0.07 -0.28 -1.13 0.37 0.00 0.00 175.52 174.59 1ir1 h ASN 115 N 0.36 1.01 -0.54 4.18 -0.73 -1.85 -2.19 115.58 115.82 1ir1 h ASN 115 Ca 0.26 -0.41 0.03 0.00 1.87 0.00 0.00 56.30 58.04 1ir1 h ASN 115 Cb 0.29 -0.28 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 1ir1 h ASN 115 CO -0.27 1.22 0.32 -0.03 -0.37 0.00 0.00 177.43 178.30 1ir1 h MET 116 N 0.82 0.61 -0.03 6.67 4.05 -0.89 -2.66 114.93 123.50 1ir1 h MET 116 Ca 0.09 -0.04 -0.18 0.00 -0.28 0.00 0.00 59.70 59.30 1ir1 h MET 116 Cb 0.87 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 1ir1 h MET 116 CO 0.08 0.41 -0.77 0.74 0.23 0.00 0.00 176.91 177.60 1ir1 h PHE 117 N 0.63 0.31 -0.81 1.39 0.04 -1.30 -2.88 116.94 114.32 1ir1 h PHE 117 Ca 0.22 -0.15 0.06 0.00 2.80 0.00 0.00 57.97 60.90 1ir1 h PHE 117 Cb 0.04 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 1ir1 h PHE 117 CO -0.07 0.90 0.53 1.15 -0.60 0.00 0.00 178.31 180.23 1ir1 h THR 118 N 0.14 1.06 0.14 -1.55 2.02 -1.05 0.81 112.91 114.49 1ir1 h THR 118 Ca -0.03 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1ir1 h THR 118 Cb 1.34 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1ir1 h THR 118 CO 0.12 0.17 -0.07 0.28 0.37 0.00 0.00 175.52 176.39 1ir1 h SER 119 N 0.91 -0.16 -0.52 4.18 0.02 -1.52 -2.46 113.55 114.00 1ir1 h SER 119 Ca 0.35 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1ir1 h SER 119 Cb 0.19 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1ir1 h SER 119 CO -0.12 0.37 0.17 0.40 -1.14 0.00 0.00 176.83 176.52 1ir1 h ILE 120 N -1.02 1.22 0.00 3.27 2.04 -1.42 -3.27 117.51 118.33 1ir1 h ILE 120 Ca -0.02 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1ir1 h ILE 120 Cb 0.28 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1ir1 h ILE 120 CO 0.03 0.29 -0.04 1.33 0.00 0.00 0.00 178.15 179.77 1ir1 n VAL 121 N -4.29 1.19 0.32 1.67 0.24 0.26 -4.86 118.33 112.87 1ir1 n VAL 121 Ca 0.04 -1.34 -0.16 0.00 -2.04 0.00 0.00 64.34 60.84 1ir1 n VAL 121 Cb 0.20 0.25 -0.08 0.00 -1.47 0.00 0.00 33.84 32.74 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 0.00 -1.20 0.00 7.63 0.00 -1.26 -3.42 103.07 104.82 1ir1 h GLY 122 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1ir1 h GLY 122 CO 0.00 -0.39 -0.73 0.70 0.00 0.00 0.00 176.54 176.13 1ir1 n ASN 123 N -5.09 3.63 0.29 0.19 3.02 -1.26 -4.84 115.26 111.19 1ir1 n ASN 123 Ca -0.12 -0.02 0.17 0.00 -0.03 0.00 0.00 54.58 54.58 1ir1 n ASN 123 Cb 0.42 0.76 0.94 0.00 -0.61 0.00 0.00 39.78 41.30 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 0.44 0.00 2.41 -1.51 -1.83 -2.67 116.25 113.08 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 0.00 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 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 -3.72 0.55 0.66 5.19 3.01 -1.26 -2.89 117.46 119.00 1ir1 n PHE 125 Ca -0.02 0.21 0.11 0.00 1.01 0.00 0.00 57.45 58.76 1ir1 n PHE 125 Cb 0.12 -0.84 0.13 0.00 -0.01 0.00 0.00 39.48 38.89 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 0.14 1.12 3.68 1.37 0.00 -1.01 -4.81 105.19 105.69 1ir1 n GLY 126 Ca 0.03 -0.65 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 1ir1 n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ir1 n PHE 127 N 1.28 2.40 -0.06 1.61 3.01 -1.14 -4.87 117.46 119.69 1ir1 n PHE 127 Ca 0.15 0.22 0.05 0.00 1.01 0.00 0.00 57.45 58.88 1ir1 n PHE 127 Cb 0.56 -2.57 0.41 0.00 -0.01 0.00 0.00 39.48 37.87 1ir1 n PHE 127 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ir1 h LYS 128 N 6.05 0.58 0.00 -1.08 1.57 -1.94 -2.03 116.57 119.72 1ir1 h LYS 128 Ca -0.44 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1ir1 h LYS 128 Cb 1.24 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1ir1 h LYS 128 CO 0.90 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 180.16 1ir1 n ALA 129 N -2.47 1.53 -2.42 3.86 0.00 -1.26 -4.67 120.51 115.08 1ir1 n ALA 129 Ca 0.06 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 1ir1 n ALA 129 Cb 0.13 -1.15 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.77 2.47 -0.10 0.00 1.43 -0.76 -1.65 118.68 117.29 1ir1 s LEU 130 Ca 0.07 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 1ir1 s LEU 130 Cb 0.06 -1.43 -0.27 0.00 0.03 0.00 0.00 46.19 44.59 1ir1 s LEU 130 CO 0.16 0.24 0.43 0.03 0.23 0.00 0.00 176.35 177.44 1ir1 h ARG 131 N 4.42 0.27 -2.98 1.70 3.08 -0.74 -3.45 114.38 116.69 1ir1 h ARG 131 Ca -0.48 -0.47 -0.04 0.00 0.07 0.00 0.00 59.98 59.06 1ir1 h ARG 131 Cb 1.15 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 31.24 1ir1 h ARG 131 CO 0.45 1.20 0.08 0.00 -1.07 0.00 0.00 179.97 180.63 1ir1 s ALA 132 N -2.56 -1.34 -0.15 0.04 0.00 -1.08 -5.04 121.76 111.62 1ir1 s ALA 132 Ca -0.20 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 1ir1 s ALA 132 Cb 0.06 0.62 0.04 0.00 0.00 0.00 0.00 23.12 23.85 1ir1 s ALA 132 CO 0.79 -0.63 0.38 -1.17 0.00 0.00 0.00 175.76 175.13 1ir1 s LEU 133 N -2.42 0.41 -0.02 0.00 2.96 -1.20 -1.95 118.68 116.46 1ir1 s LEU 133 Ca -0.01 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.68 1ir1 s LEU 133 Cb -0.00 1.28 0.02 0.00 0.50 0.00 0.00 46.19 47.99 1ir1 s LEU 133 CO -0.08 -0.15 0.01 -0.60 -1.32 0.00 0.00 176.35 174.22 1ir1 s ARG 134 N 0.51 0.05 -0.35 1.98 3.52 -0.44 -1.59 118.95 122.63 1ir1 s ARG 134 Ca -0.03 0.10 -0.19 0.00 -0.13 0.00 0.00 55.73 55.48 1ir1 s ARG 134 Cb -0.04 -0.23 -0.00 0.00 -1.56 0.00 0.00 34.95 33.12 1ir1 s ARG 134 CO -0.03 -0.11 0.58 -1.17 -0.81 0.00 0.00 175.30 173.76 1ir1 s LEU 135 N 0.72 4.28 -0.12 -0.88 2.96 -0.41 0.64 118.68 125.88 1ir1 s LEU 135 Ca -0.06 0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.84 1ir1 s LEU 135 Cb -0.09 -2.70 -0.26 0.00 0.50 0.00 0.00 46.19 43.64 1ir1 s LEU 135 CO -0.02 -0.53 0.41 -0.33 -1.32 0.00 0.00 176.35 174.57 1ir1 h GLU 136 N 8.43 0.25 -3.34 1.98 4.39 -1.37 -1.08 114.58 123.83 1ir1 h GLU 136 Ca -0.27 -0.42 -0.03 0.00 0.34 0.00 0.00 59.36 58.98 1ir1 h GLU 136 Cb 1.12 0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 29.82 1ir1 h GLU 136 CO 0.80 1.20 0.01 0.34 -1.16 0.00 0.00 179.01 180.20 1ir1 s ASP 137 N -7.06 -0.24 -0.01 1.42 -1.08 -1.21 -4.56 116.67 103.92 1ir1 s ASP 137 Ca -0.22 -0.49 -0.00 0.00 -0.52 0.00 0.00 52.55 51.31 1ir1 s ASP 137 Cb 0.06 0.57 0.02 0.00 -1.46 0.00 0.00 42.92 42.10 1ir1 s ASP 137 CO 0.76 -1.04 0.03 -0.76 0.52 0.00 0.00 175.17 174.68 1ir1 s LEU 138 N -2.88 1.50 -0.46 -1.34 1.43 -1.26 -1.70 118.68 113.98 1ir1 s LEU 138 Ca 0.09 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 1ir1 s LEU 138 Cb -0.01 0.01 0.07 0.00 0.03 0.00 0.00 46.19 46.30 1ir1 s LEU 138 CO -0.03 -0.07 0.36 -0.60 0.23 0.00 0.00 176.35 176.24 1ir1 s ARG 139 N 0.54 2.91 -0.41 1.70 3.00 0.12 -4.93 118.95 121.87 1ir1 s ARG 139 Ca -0.04 -1.33 -0.21 0.00 -1.00 0.00 0.00 55.73 53.15 1ir1 s ARG 139 Cb -0.06 -4.05 0.02 0.00 0.00 0.00 0.00 34.95 30.85 1ir1 s ARG 139 CO -0.02 -0.98 0.64 0.42 0.00 0.00 0.00 175.30 175.36 1ir1 s ILE 140 N 1.61 4.85 0.54 4.11 1.01 -1.26 -2.21 121.20 129.84 1ir1 s ILE 140 Ca 0.04 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.73 1ir1 s ILE 140 Cb -0.23 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 1ir1 s ILE 140 CO 0.06 -0.50 1.38 -2.16 0.00 0.00 0.00 174.94 173.71 1ir1 s PRO 141 N 2.78 3.20 0.53 2.79 0.04 -1.26 -4.72 135.00 138.36 1ir1 s PRO 141 Ca 0.23 2.29 0.20 0.00 0.04 0.00 0.00 61.00 63.75 1ir1 s PRO 141 Cb -0.14 -2.31 1.38 0.00 0.04 0.00 0.00 34.50 33.46 1ir1 s PRO 141 CO 0.18 -1.16 2.14 -0.39 0.04 0.00 0.00 177.00 177.80 1ir1 h VAL 142 N 1.56 0.87 -0.23 -0.36 -1.51 -1.84 -0.97 116.25 113.77 1ir1 h VAL 142 Ca -0.51 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.91 1ir1 h VAL 142 Cb 1.30 0.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1ir1 h VAL 142 CO 0.58 0.00 -0.08 0.00 -1.23 0.00 0.00 177.57 176.84 1ir1 h ALA 143 N 1.95 1.45 0.12 5.19 0.00 -1.90 -2.12 119.26 123.94 1ir1 h ALA 143 Ca 0.04 -0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 1ir1 h ALA 143 Cb 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ir1 h ALA 143 CO -0.00 0.39 -1.46 -0.92 0.00 0.00 0.00 179.25 177.26 1ir1 h TYR 144 N 0.34 0.46 -0.85 0.00 3.20 -1.57 -3.32 116.97 115.23 1ir1 h TYR 144 Ca 0.07 -0.33 0.06 0.00 3.14 0.00 0.00 58.73 61.67 1ir1 h TYR 144 Cb 0.36 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1ir1 h TYR 144 CO 0.01 1.35 0.55 0.28 -1.64 0.00 0.00 178.16 178.71 1ir1 h VAL 145 N 0.07 1.06 0.00 1.81 2.07 -0.95 -1.55 116.25 118.75 1ir1 h VAL 145 Ca -0.22 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1ir1 h VAL 145 Cb 2.01 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1ir1 h VAL 145 CO 0.17 0.17 0.00 0.29 0.02 0.00 0.00 177.57 178.22 1ir1 n LYS 146 N -4.48 0.07 0.00 1.57 4.76 -0.83 -2.25 118.16 117.01 1ir1 n LYS 146 Ca 0.13 0.23 0.14 0.00 -2.87 0.00 0.00 58.31 55.93 1ir1 n LYS 146 Cb 0.20 -1.50 0.50 0.00 -1.84 0.00 0.00 35.03 32.39 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 -1.42 0.00 -4.14 -0.18 -2.24 -0.58 -4.88 114.28 100.83 1ir1 n THR 147 Ca 0.04 -0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.40 1ir1 n THR 147 Cb 0.13 0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.28 3.00 0.08 4.78 0.40 -0.95 -3.41 117.98 119.59 1ir1 s PHE 148 Ca 0.31 -0.07 -0.10 0.00 -0.60 0.00 0.00 56.93 56.47 1ir1 s PHE 148 Cb 0.20 -1.45 -0.24 0.00 0.51 0.00 0.00 43.02 42.05 1ir1 s PHE 148 CO 0.43 0.52 1.17 0.37 0.70 0.00 0.00 175.22 178.41 1ir1 h GLN 149 N 2.60 0.52 0.00 0.44 4.15 -1.87 -3.50 115.11 117.45 1ir1 h GLN 149 Ca -0.47 -0.68 0.00 0.00 0.77 0.00 0.00 58.65 58.27 1ir1 h GLN 149 Cb 1.20 0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.11 1ir1 h GLN 149 CO 0.61 1.28 0.00 0.41 -1.93 0.00 0.00 178.83 179.20 1ir1 n GLY 150 N 1.28 -1.73 3.66 2.39 0.00 -1.00 -4.88 105.19 104.91 1ir1 n GLY 150 Ca -0.11 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 1.74 0.13 1.61 -0.02 -1.23 -4.15 135.00 133.07 1ir1 n PRO 151 Ca 0.00 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.15 1ir1 n PRO 151 Cb 0.00 -2.22 0.53 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.00 0.28 0.00 0.52 0.11 -1.83 -3.41 132.00 129.66 1ir1 h PRO 152 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ir1 h PRO 152 Cb 1.31 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ir1 h PRO 152 CO 0.60 0.19 -0.07 0.72 -0.21 0.00 0.00 178.00 179.23 1ir1 n HIS 153 N -4.50 -1.45 0.00 0.65 8.25 -1.26 -4.73 115.22 112.18 1ir1 n HIS 153 Ca 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1ir1 n HIS 153 Cb 0.08 0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 2.03 0.66 0.41 -1.41 0.00 -1.26 -4.45 105.19 101.18 1ir1 n GLY 154 Ca 0.00 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 0.05 0.09 -0.61 2.04 -1.78 -1.00 117.51 116.31 1ir1 h ILE 155 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1ir1 h ILE 155 Cb 0.00 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 1ir1 h ILE 155 CO 0.00 0.00 -0.33 -0.61 0.00 0.00 0.00 178.15 177.21 1ir1 h GLN 156 N -0.27 -0.52 -0.90 2.37 4.15 -1.90 -1.74 115.11 116.30 1ir1 h GLN 156 Ca 0.14 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1ir1 h GLN 156 Cb 0.57 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 1ir1 h GLN 156 CO -0.67 -0.34 0.53 0.28 -1.93 0.00 0.00 178.83 176.70 1ir1 h VAL 157 N -0.53 1.25 -0.07 2.39 2.07 -1.73 -1.67 116.25 117.95 1ir1 h VAL 157 Ca 0.04 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1ir1 h VAL 157 Cb 0.58 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1ir1 h VAL 157 CO -0.21 0.27 0.04 -0.08 0.02 0.00 0.00 177.57 177.60 1ir1 h GLU 158 N 1.25 0.11 -0.84 1.57 4.81 -0.95 0.81 114.58 121.34 1ir1 h GLU 158 Ca 0.32 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1ir1 h GLU 158 Cb -0.03 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1ir1 h GLU 158 CO -0.06 0.20 0.56 0.00 -0.73 0.00 0.00 179.01 178.98 1ir1 h ARG 159 N -0.01 1.09 -0.30 1.92 3.08 -1.13 -1.26 114.38 117.76 1ir1 h ARG 159 Ca 0.03 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1ir1 h ARG 159 Cb 0.13 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1ir1 h ARG 159 CO -0.00 0.72 -0.35 -0.44 -1.07 0.00 0.00 179.97 178.83 1ir1 h ASP 160 N 1.12 0.71 -0.27 7.04 3.32 -0.90 0.21 116.42 127.65 1ir1 h ASP 160 Ca 0.32 -0.30 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 1ir1 h ASP 160 Cb -0.09 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1ir1 h ASP 160 CO -0.08 0.99 -0.44 0.11 -1.72 0.00 0.00 179.24 178.11 1ir1 h LYS 161 N 0.57 0.77 0.00 3.56 1.79 -0.39 -3.22 116.57 119.65 1ir1 h LYS 161 Ca 0.06 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1ir1 h LYS 161 Cb 0.86 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1ir1 h LYS 161 CO 0.07 1.10 -0.39 1.28 -1.08 0.00 0.00 179.45 180.43 1ir1 n LEU 162 N -4.14 0.43 -3.43 2.94 4.77 -0.52 -4.96 117.00 112.10 1ir1 n LEU 162 Ca -0.05 0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 55.89 1ir1 n LEU 162 Cb 0.56 -0.30 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1ir1 n LEU 162 CO 0.48 0.05 0.23 -3.20 -1.33 0.00 0.00 177.39 173.62 1ir1 n ASN 163 N -1.64 -6.09 -4.21 -1.43 5.15 0.69 -4.67 115.26 103.05 1ir1 n ASN 163 Ca 0.05 -0.51 -0.33 0.00 -0.60 0.00 0.00 54.58 53.19 1ir1 n ASN 163 Cb 0.36 -4.80 -0.16 0.00 -0.53 0.00 0.00 39.78 34.66 1ir1 n ASN 163 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1ir1 s LYS 164 N -6.23 3.13 0.07 1.20 1.02 -0.84 -5.03 119.74 113.05 1ir1 s LYS 164 Ca 0.55 -0.78 -0.05 0.00 0.02 0.00 0.00 55.97 55.70 1ir1 s LYS 164 Cb -0.24 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 1ir1 s LYS 164 CO 0.69 -0.06 0.10 0.71 -0.92 0.00 0.00 175.35 175.87 1ir1 s TYR 165 N 0.97 0.30 -0.09 3.18 2.02 -1.26 -4.69 117.35 117.77 1ir1 s TYR 165 Ca -0.03 -0.76 0.00 0.00 -0.37 0.00 0.00 57.07 55.91 1ir1 s TYR 165 Cb -0.15 -0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.22 1ir1 s TYR 165 CO -0.04 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 173.89 1ir1 n GLY 166 N 0.10 0.49 3.55 0.71 0.00 -1.26 -5.01 105.19 103.76 1ir1 n GLY 166 Ca -0.15 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.98 0.61 0.74 1.61 1.70 -1.26 -5.03 118.95 116.34 1ir1 s ARG 167 Ca 0.00 -0.23 -0.13 0.00 -0.47 0.00 0.00 55.73 54.90 1ir1 s ARG 167 Cb 0.00 0.28 0.04 0.00 -0.57 0.00 0.00 34.95 34.70 1ir1 s ARG 167 CO 0.00 -0.27 1.12 -2.14 -1.08 0.00 0.00 175.30 172.94 1ir1 s PRO 168 N -2.83 2.31 0.45 3.89 0.02 -1.18 -4.77 135.00 132.90 1ir1 s PRO 168 Ca 0.07 1.40 -0.07 0.00 0.02 0.00 0.00 61.00 62.42 1ir1 s PRO 168 Cb -0.01 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 1ir1 s PRO 168 CO -0.07 -1.63 0.78 -0.51 -0.33 0.00 0.00 177.00 175.24 1ir1 s LEU 169 N -5.44 3.70 -0.09 -5.54 1.02 0.14 -4.94 118.68 107.52 1ir1 s LEU 169 Ca 0.66 1.02 0.04 0.00 0.02 0.00 0.00 54.13 55.87 1ir1 s LEU 169 Cb -0.21 -3.94 -0.00 0.00 0.02 0.00 0.00 46.19 42.05 1ir1 s LEU 169 CO 0.48 -0.51 -0.23 -0.76 0.02 0.00 0.00 176.35 175.35 1ir1 s LEU 170 N -4.40 2.06 0.00 1.79 1.43 -1.26 -0.97 118.68 117.33 1ir1 s LEU 170 Ca 0.49 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1ir1 s LEU 170 Cb -0.10 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1ir1 s LEU 170 CO 0.40 0.16 0.10 0.61 0.23 0.00 0.00 176.35 177.86 1ir1 n GLY 171 N 3.46 3.42 3.64 -3.19 0.00 0.18 -0.99 105.19 111.72 1ir1 n GLY 171 Ca -0.19 -2.12 -0.03 0.00 0.00 0.00 0.00 46.02 43.67 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 1.24 5.10 0.35 0.00 2.01 -1.26 -4.23 115.64 118.86 1ir1 s THR 173 Ca -0.08 0.97 -0.27 0.00 0.31 0.00 0.00 61.69 62.62 1ir1 s THR 173 Cb -0.04 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1ir1 s THR 173 CO -0.14 0.41 1.13 -0.63 -0.69 0.00 0.00 174.62 174.70 1ir1 s ILE 174 N 0.06 3.34 0.09 1.82 -1.09 -1.26 -4.38 121.20 119.79 1ir1 s ILE 174 Ca 0.26 1.20 0.03 0.00 -2.23 0.00 0.00 60.65 59.91 1ir1 s ILE 174 Cb -0.16 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1ir1 s ILE 174 CO 0.12 0.18 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.38 1ir1 s LYS 175 N -1.99 0.82 0.77 2.79 -0.14 -1.26 -4.37 119.74 116.37 1ir1 s LYS 175 Ca 0.52 -1.18 -0.14 0.00 -1.36 0.00 0.00 55.97 53.81 1ir1 s LYS 175 Cb -0.30 -0.42 0.06 0.00 -1.68 0.00 0.00 37.83 35.49 1ir1 s LYS 175 CO 0.39 0.05 1.18 -1.25 -0.76 0.00 0.00 175.35 174.96 1ir1 s PRO 176 N -3.02 1.92 0.18 -1.68 0.04 -1.26 -5.05 135.00 126.13 1ir1 s PRO 176 Ca 0.06 1.66 -0.22 0.00 0.04 0.00 0.00 61.00 62.54 1ir1 s PRO 176 Cb -0.01 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.81 1ir1 s PRO 176 CO -0.01 -1.98 1.58 0.87 0.04 0.00 0.00 177.00 177.50 1ir1 h LYS 177 N -0.69 -0.18 -5.24 4.56 1.57 -1.99 -3.43 116.57 111.17 1ir1 h LYS 177 Ca -0.46 0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 57.96 1ir1 h LYS 177 Cb 1.28 0.04 -0.16 0.00 0.08 0.00 0.00 32.23 33.48 1ir1 h LYS 177 CO 0.48 -0.12 -0.73 -0.51 -0.57 0.00 0.00 179.45 178.00 1ir1 s LEU 178 N -10.67 2.49 0.00 2.94 1.43 -1.26 -4.75 118.68 108.86 1ir1 s LEU 178 Ca -0.14 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1ir1 s LEU 178 Cb 0.15 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.92 1ir1 s LEU 178 CO 0.68 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1ir1 n GLY 179 N 0.03 1.75 3.85 -3.19 0.00 -1.26 -5.11 105.19 101.26 1ir1 n GLY 179 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 4.17 0.67 0.99 1.43 -1.26 -5.04 118.68 119.65 1ir1 s LEU 180 Ca 0.00 1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 54.14 1ir1 s LEU 180 Cb 0.00 -3.76 0.02 0.00 0.03 0.00 0.00 46.19 42.48 1ir1 s LEU 180 CO 0.00 -0.08 1.04 -0.94 0.23 0.00 0.00 176.35 176.59 1ir1 s SER 181 N -2.15 5.43 0.18 2.29 1.04 -1.26 -4.48 113.70 114.75 1ir1 s SER 181 Ca 0.48 0.97 -0.13 0.00 0.48 0.00 0.00 55.95 57.75 1ir1 s SER 181 Cb -0.12 -1.81 0.14 0.00 0.10 0.00 0.00 66.02 64.33 1ir1 s SER 181 CO 0.19 -1.29 1.78 0.00 0.98 0.00 0.00 173.24 174.91 1ir1 h ALA 182 N -0.52 0.63 -0.64 5.32 0.00 -1.93 -1.26 119.26 120.88 1ir1 h ALA 182 Ca -0.45 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1ir1 h ALA 182 Cb 1.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1ir1 h ALA 182 CO 0.63 -0.12 0.04 -0.22 0.00 0.00 0.00 179.25 179.58 1ir1 h LYS 183 N 0.47 1.09 0.00 0.00 3.64 -1.94 -2.33 116.57 117.50 1ir1 h LYS 183 Ca 0.22 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1ir1 h LYS 183 Cb 0.16 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ir1 h LYS 183 CO -0.17 1.04 -0.29 -0.91 -2.27 0.00 0.00 179.45 176.85 1ir1 h ASN 184 N 1.00 0.00 -0.17 4.20 2.35 -1.88 -1.48 115.58 119.60 1ir1 h ASN 184 Ca 0.19 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1ir1 h ASN 184 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1ir1 h ASN 184 CO 0.02 0.29 -0.05 0.22 -1.65 0.00 0.00 177.43 176.27 1ir1 h TYR 185 N 0.00 0.38 -0.31 1.19 3.20 -0.82 -1.48 116.97 119.14 1ir1 h TYR 185 Ca -0.00 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 1ir1 h TYR 185 Cb 0.66 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1ir1 h TYR 185 CO 0.00 0.61 -0.08 0.78 -1.64 0.00 0.00 178.16 177.83 1ir1 h GLY 186 N 0.05 0.54 0.96 1.82 0.00 -1.19 -0.89 103.07 104.36 1ir1 h GLY 186 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1ir1 h GLY 186 CO 0.02 0.33 0.17 -0.09 0.00 0.00 0.00 176.54 176.97 1ir1 h ARG 187 N 0.47 0.44 -0.42 4.80 2.43 -1.08 -0.38 114.38 120.63 1ir1 h ARG 187 Ca 0.09 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 1ir1 h ARG 187 Cb 0.43 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1ir1 h ARG 187 CO 0.02 0.37 -0.17 0.00 -1.51 0.00 0.00 179.97 178.68 1ir1 h ALA 188 N 1.04 0.90 -0.16 2.80 0.00 -0.95 -2.83 119.26 120.07 1ir1 h ALA 188 Ca 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ir1 h ALA 188 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ir1 h ALA 188 CO -0.02 0.63 0.07 0.28 0.00 0.00 0.00 179.25 180.21 1ir1 h VAL 189 N 0.71 1.14 -0.22 0.00 2.07 -0.83 -1.76 116.25 117.37 1ir1 h VAL 189 Ca 0.11 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.23 1ir1 h VAL 189 Cb 0.68 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1ir1 h VAL 189 CO 0.05 0.13 0.06 0.22 0.02 0.00 0.00 177.57 178.05 1ir1 h TYR 190 N 0.11 0.10 -0.54 1.57 3.20 -1.02 -1.32 116.97 119.06 1ir1 h TYR 190 Ca 0.05 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1ir1 h TYR 190 Cb 0.15 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1ir1 h TYR 190 CO -0.02 0.04 0.16 0.93 -1.64 0.00 0.00 178.16 177.63 1ir1 h GLU 191 N 0.15 0.82 -0.06 1.82 4.39 -1.44 -1.68 114.58 118.58 1ir1 h GLU 191 Ca 0.10 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1ir1 h GLU 191 Cb 0.08 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1ir1 h GLU 191 CO -0.12 0.72 -0.01 0.00 -1.16 0.00 0.00 179.01 178.44 1ir1 h LEU 193 N -0.22 0.83 -1.32 0.00 3.38 -1.14 -2.92 115.31 113.93 1ir1 h LEU 193 Ca 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ir1 h LEU 193 Cb 0.40 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ir1 h LEU 193 CO 0.01 0.96 0.00 0.08 0.09 0.00 0.00 178.44 179.58 1ir1 h ARG 194 N 0.75 0.00 -0.00 1.13 0.11 -1.38 -2.70 114.38 112.28 1ir1 h ARG 194 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1ir1 h ARG 194 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1ir1 h ARG 194 CO 0.04 0.00 -0.13 0.41 0.10 0.00 0.00 179.97 180.39 1ir1 n GLY 195 N -0.39 -0.95 0.00 0.08 0.00 -1.10 -4.91 105.19 97.93 1ir1 n GLY 195 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 1.30 0.72 3.83 -0.02 0.00 -1.02 -2.34 105.19 107.67 1ir1 n GLY 196 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 4.02 -0.02 0.99 1.43 -1.25 -4.81 118.68 119.05 1ir1 s LEU 197 Ca 0.00 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 54.63 1ir1 s LEU 197 Cb 0.00 -4.32 -0.27 0.00 0.03 0.00 0.00 46.19 41.62 1ir1 s LEU 197 CO 0.00 -0.28 0.77 0.44 0.23 0.00 0.00 176.35 177.52 1ir1 h ASP 198 N 2.16 0.38 -4.87 2.29 3.32 -1.45 -3.44 116.42 114.81 1ir1 h ASP 198 Ca -0.48 -0.58 -0.18 0.00 0.02 0.00 0.00 57.03 55.81 1ir1 h ASP 198 Cb 1.18 -0.12 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 1ir1 h ASP 198 CO 0.63 1.49 -0.69 -0.36 -1.72 0.00 0.00 179.24 178.58 1ir1 s PHE 199 N -2.61 0.72 0.00 4.55 0.08 -0.16 -2.10 117.98 118.47 1ir1 s PHE 199 Ca -0.11 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 55.99 1ir1 s PHE 199 Cb 0.07 -0.45 0.00 0.00 -0.57 0.00 0.00 43.02 42.06 1ir1 s PHE 199 CO 0.84 -0.24 0.00 0.25 -0.10 0.00 0.00 175.22 175.97 1ir1 n THR 200 N 0.12 0.00 -3.63 0.64 -2.24 -1.05 -2.26 114.28 105.86 1ir1 n THR 200 Ca -0.14 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1ir1 n THR 200 Cb 0.60 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.46 6.60 0.70 3.42 1.01 -1.03 -1.67 116.67 125.24 1ir1 s ASP 202 Ca 0.00 0.72 -0.14 0.00 0.71 0.00 0.00 52.55 53.85 1ir1 s ASP 202 Cb 0.00 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.80 1ir1 s ASP 202 CO 0.00 0.19 1.11 -0.62 0.21 0.00 0.00 175.17 176.05 1ir1 s ASP 203 N -1.79 4.87 0.50 0.27 -1.08 -1.26 -4.88 116.67 113.30 1ir1 s ASP 203 Ca 0.32 1.97 0.22 0.00 -0.52 0.00 0.00 52.55 54.54 1ir1 s ASP 203 Cb -0.14 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 40.07 1ir1 s ASP 203 CO 0.18 -1.79 1.98 1.05 0.52 0.00 0.00 175.17 177.11 1ir1 h GLU 204 N -0.33 0.12 -0.14 4.34 9.09 -1.98 -1.16 114.58 124.52 1ir1 h GLU 204 Ca -0.46 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.94 1ir1 h GLU 204 Cb 1.24 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1ir1 h GLU 204 CO 0.53 0.08 0.00 0.27 0.05 0.00 0.00 179.01 179.94 1ir1 n ASN 205 N -4.41 2.12 -4.51 3.06 6.94 -1.26 -4.77 115.26 112.43 1ir1 n ASN 205 Ca 0.11 -1.74 -0.43 0.00 -0.02 0.00 0.00 54.58 52.50 1ir1 n ASN 205 Cb 0.57 -0.08 -0.04 0.00 -2.36 0.00 0.00 39.78 37.86 1ir1 n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ir1 s VAL 206 N -1.83 4.32 0.00 3.53 1.01 -0.44 -4.82 120.40 122.18 1ir1 s VAL 206 Ca 0.34 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1ir1 s VAL 206 Cb 0.20 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1ir1 s VAL 206 CO 0.30 -1.23 0.00 0.59 0.00 0.00 0.00 175.10 174.76 1ir1 n ASN 207 N 7.65 0.00 -3.61 3.32 5.03 -1.26 -4.73 115.26 121.66 1ir1 n ASN 207 Ca 0.01 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.33 1ir1 n ASN 207 Cb 0.47 0.00 -0.12 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 0.42 0.22 6.41 0.15 -1.26 -4.00 113.70 116.63 1ir1 s SER 208 Ca 0.00 0.49 -0.00 0.00 0.70 0.00 0.00 55.95 57.14 1ir1 s SER 208 Cb 0.00 0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 1ir1 s SER 208 CO 0.00 -0.26 0.13 -1.10 1.20 0.00 0.00 173.24 173.22 1ir1 s GLN 209 N 2.44 1.27 0.27 5.44 1.11 -0.49 -4.92 119.66 124.77 1ir1 s GLN 209 Ca 0.03 -1.68 -0.01 0.00 0.01 0.00 0.00 55.36 53.71 1ir1 s GLN 209 Cb -0.13 0.19 0.55 0.00 -1.01 0.00 0.00 33.01 32.61 1ir1 s GLN 209 CO -0.10 -0.39 1.76 -1.35 0.01 0.00 0.00 175.29 175.21 1ir1 h PRO 210 N 2.55 0.59 0.00 2.91 0.11 -2.02 -1.34 132.00 134.81 1ir1 h PRO 210 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ir1 h PRO 210 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ir1 h PRO 210 CO 0.53 0.39 0.00 0.27 -0.21 0.00 0.00 178.00 178.98 1ir1 h PHE 211 N 0.61 0.00 -0.74 0.65 -5.15 -1.96 -3.43 116.94 106.92 1ir1 h PHE 211 Ca 0.47 0.00 0.16 0.00 -0.20 0.00 0.00 57.97 58.40 1ir1 h PHE 211 Cb 0.68 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 36.64 1ir1 h PHE 211 CO -0.09 0.00 -0.08 1.41 -2.00 0.00 0.00 178.31 177.55 1ir1 s MET 212 N -3.38 0.40 0.32 6.09 0.00 -0.51 -4.29 119.30 117.93 1ir1 s MET 212 Ca 0.05 0.72 -0.20 0.00 0.00 0.00 0.00 55.69 56.26 1ir1 s MET 212 Cb 0.09 0.40 -0.09 0.00 0.00 0.00 0.00 34.83 35.23 1ir1 s MET 212 CO 0.54 -0.41 0.82 1.03 0.00 0.00 0.00 175.02 177.00 1ir1 s ARG 213 N 2.89 4.22 0.22 4.11 1.81 -1.18 -1.40 118.95 129.62 1ir1 s ARG 213 Ca 0.10 0.95 -0.08 0.00 -1.72 0.00 0.00 55.73 54.98 1ir1 s ARG 213 Cb -0.13 -2.54 0.28 0.00 -0.45 0.00 0.00 34.95 32.11 1ir1 s ARG 213 CO -0.17 0.19 1.80 0.11 -0.68 0.00 0.00 175.30 176.56 1ir1 h TRP 214 N 2.62 0.70 -0.63 -0.53 5.08 -1.90 -2.42 115.95 118.87 1ir1 h TRP 214 Ca -0.48 0.03 -0.08 0.00 1.08 0.00 0.00 58.89 59.43 1ir1 h TRP 214 Cb 1.18 -0.21 -0.02 0.00 -3.00 0.00 0.00 29.16 27.11 1ir1 h TRP 214 CO 0.62 0.31 0.07 -0.09 -1.28 0.00 0.00 178.44 178.07 1ir1 h ARG 215 N 0.69 1.05 -0.65 0.12 2.43 -1.94 -0.31 114.38 115.77 1ir1 h ARG 215 Ca 0.32 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1ir1 h ARG 215 Cb 0.24 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1ir1 h ARG 215 CO -0.21 0.99 0.23 -0.44 -1.51 0.00 0.00 179.97 179.03 1ir1 h ASP 216 N 0.98 0.92 0.08 -3.80 3.32 -1.93 -1.72 116.42 114.27 1ir1 h ASP 216 Ca 0.19 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ir1 h ASP 216 Cb 0.47 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1ir1 h ASP 216 CO 0.02 0.86 -0.04 -0.09 -1.72 0.00 0.00 179.24 178.27 1ir1 h ARG 217 N 0.92 -0.10 -0.66 3.56 2.43 -0.99 -1.82 114.38 117.72 1ir1 h ARG 217 Ca 0.21 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.48 1ir1 h ARG 217 Cb 0.25 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 1ir1 h ARG 217 CO -0.01 0.03 0.29 0.74 -1.51 0.00 0.00 179.97 179.51 1ir1 h PHE 218 N -0.22 0.52 -0.01 2.20 -1.00 -0.96 0.20 116.94 117.67 1ir1 h PHE 218 Ca -0.01 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1ir1 h PHE 218 Cb 0.19 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 1ir1 h PHE 218 CO -0.04 0.16 0.01 1.25 -1.61 0.00 0.00 178.31 178.08 1ir1 h LEU 219 N 0.50 0.01 -0.81 1.54 6.46 -1.19 -2.00 115.31 119.83 1ir1 h LEU 219 Ca 0.33 -0.09 -0.12 0.00 -0.12 0.00 0.00 57.88 57.88 1ir1 h LEU 219 Cb 0.38 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1ir1 h LEU 219 CO -0.29 0.10 -0.46 -0.26 -0.62 0.00 0.00 178.44 176.92 1ir1 h PHE 220 N -0.07 0.38 -0.06 1.25 0.04 -0.99 -2.81 116.94 114.67 1ir1 h PHE 220 Ca 0.00 -0.11 -0.13 0.00 2.80 0.00 0.00 57.97 60.53 1ir1 h PHE 220 Cb 0.09 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1ir1 h PHE 220 CO -0.05 0.72 -0.54 0.00 -0.60 0.00 0.00 178.31 177.84 1ir1 h ALA 222 N 1.30 0.76 -0.23 0.00 0.00 -1.23 0.99 119.26 120.84 1ir1 h ALA 222 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ir1 h ALA 222 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1ir1 h ALA 222 CO 0.08 0.66 0.11 1.49 0.00 0.00 0.00 179.25 181.58 1ir1 h GLU 223 N 0.63 0.34 -0.39 0.00 4.81 -1.28 -1.27 114.58 117.41 1ir1 h GLU 223 Ca 0.06 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1ir1 h GLU 223 Cb 0.89 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1ir1 h GLU 223 CO 0.08 0.36 0.13 0.00 -0.73 0.00 0.00 179.01 178.85 1ir1 h ALA 224 N 0.96 0.52 -0.41 2.92 0.00 -1.30 -1.98 119.26 119.96 1ir1 h ALA 224 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ir1 h ALA 224 Cb 0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1ir1 h ALA 224 CO -0.01 0.15 0.20 1.25 0.00 0.00 0.00 179.25 180.85 1ir1 h LEU 225 N 0.49 0.29 -0.95 0.00 6.46 -0.67 -1.45 115.31 119.49 1ir1 h LEU 225 Ca 0.13 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.80 1ir1 h LEU 225 Cb 0.25 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1ir1 h LEU 225 CO -0.01 0.21 -0.52 1.88 -0.62 0.00 0.00 178.44 179.39 1ir1 h TYR 226 N 0.41 0.02 -0.37 1.25 0.05 -1.15 -2.19 116.97 114.99 1ir1 h TYR 226 Ca 0.18 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.79 1ir1 h TYR 226 Cb 0.09 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1ir1 h TYR 226 CO -0.10 0.53 -0.40 -0.22 -1.05 0.00 0.00 178.16 176.92 1ir1 h LYS 227 N 0.02 0.92 -0.28 4.88 3.64 -0.90 -2.27 116.57 122.58 1ir1 h LYS 227 Ca -0.00 -0.50 -0.13 0.00 -1.27 0.00 0.00 60.65 58.75 1ir1 h LYS 227 Cb 0.92 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1ir1 h LYS 227 CO 0.07 1.15 -0.37 0.00 -2.27 0.00 0.00 179.45 178.03 1ir1 h ALA 228 N 0.78 0.84 -0.43 5.00 0.00 -1.17 -1.73 119.26 122.55 1ir1 h ALA 228 Ca 0.06 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1ir1 h ALA 228 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ir1 h ALA 228 CO 0.10 0.64 0.03 0.37 0.00 0.00 0.00 179.25 180.39 1ir1 h GLN 229 N 0.53 0.74 -0.72 0.00 4.15 -1.33 -1.39 115.11 117.09 1ir1 h GLN 229 Ca 0.05 -0.22 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 1ir1 h GLN 229 Cb 0.88 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 1ir1 h GLN 229 CO 0.08 0.80 0.20 0.00 -1.93 0.00 0.00 178.83 177.98 1ir1 h ALA 230 N 0.92 0.95 -0.42 3.38 0.00 -1.31 0.54 119.26 123.31 1ir1 h ALA 230 Ca 0.13 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1ir1 h ALA 230 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ir1 h ALA 230 CO 0.02 0.65 -0.06 1.49 0.00 0.00 0.00 179.25 181.34 1ir1 h GLU 231 N 1.08 0.79 0.00 0.00 4.81 -1.14 -3.34 114.58 116.78 1ir1 h GLU 231 Ca 0.23 -0.28 -0.31 0.00 -0.13 0.00 0.00 59.36 58.87 1ir1 h GLU 231 Cb 0.34 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1ir1 h GLU 231 CO -0.00 0.90 -1.86 0.25 -0.73 0.00 0.00 179.01 177.56 1ir1 n THR 232 N -4.34 1.55 -0.62 0.32 -2.24 -0.54 -4.98 114.28 103.42 1ir1 n THR 232 Ca -0.01 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1ir1 n THR 232 Cb 0.34 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 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 1.60 0.76 3.53 3.38 0.00 0.17 -5.04 105.19 109.59 1ir1 n GLY 233 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.38 2.47 0.19 1.61 2.02 -1.25 -5.06 118.70 118.29 1ir1 s GLU 234 Ca 0.00 -0.74 -0.31 0.00 0.02 0.00 0.00 54.97 53.94 1ir1 s GLU 234 Cb 0.00 -2.42 -0.09 0.00 0.10 0.00 0.00 34.13 31.72 1ir1 s GLU 234 CO 0.00 0.60 1.46 0.42 0.02 0.00 0.00 175.26 177.77 1ir1 s ILE 235 N -0.89 2.83 0.28 -1.63 1.01 -1.26 -4.54 121.20 117.00 1ir1 s ILE 235 Ca 0.14 0.63 0.12 0.00 0.00 0.00 0.00 60.65 61.55 1ir1 s ILE 235 Cb -0.11 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 1ir1 s ILE 235 CO 0.04 0.07 -0.19 -0.54 0.00 0.00 0.00 174.94 174.32 1ir1 s LYS 236 N 0.51 1.70 0.08 2.79 -0.14 -1.26 -4.90 119.74 118.51 1ir1 s LYS 236 Ca 0.64 -1.76 -0.15 0.00 -1.36 0.00 0.00 55.97 53.34 1ir1 s LYS 236 Cb -0.41 -1.78 0.03 0.00 -1.68 0.00 0.00 37.83 33.99 1ir1 s LYS 236 CO 0.36 0.33 0.35 0.20 -0.76 0.00 0.00 175.35 175.82 1ir1 s GLY 237 N -3.52 -0.18 -0.09 -3.33 0.00 -0.89 -4.79 107.32 94.52 1ir1 s GLY 237 Ca 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.96 1ir1 s GLY 237 CO 0.15 -0.27 0.06 -1.58 0.00 0.00 0.00 173.10 171.46 1ir1 s HIS 238 N -3.17 0.23 -0.39 1.90 2.46 -1.26 -2.53 115.29 112.52 1ir1 s HIS 238 Ca -0.01 -0.01 -0.27 0.00 0.47 0.00 0.00 55.06 55.24 1ir1 s HIS 238 Cb 0.01 -0.61 -0.04 0.00 -0.13 0.00 0.00 32.58 31.81 1ir1 s HIS 238 CO -0.07 -0.32 2.03 0.71 -2.47 0.00 0.00 174.74 174.62 1ir1 s TYR 239 N 2.12 1.48 -0.23 3.88 2.02 -0.67 -4.72 117.35 121.23 1ir1 s TYR 239 Ca 0.04 0.83 -0.24 0.00 -0.37 0.00 0.00 57.07 57.33 1ir1 s TYR 239 Cb -0.13 -3.96 -0.01 0.00 -0.40 0.00 0.00 41.96 37.45 1ir1 s TYR 239 CO -0.05 -2.99 0.82 -0.51 -1.57 0.00 0.00 175.55 171.24 1ir1 s LEU 240 N 8.73 4.10 -0.19 -1.29 1.43 -1.22 -2.45 118.68 127.79 1ir1 s LEU 240 Ca 0.85 1.04 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 1ir1 s LEU 240 Cb -0.22 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1ir1 s LEU 240 CO 0.30 -0.48 1.42 0.21 0.23 0.00 0.00 176.35 178.03 1ir1 s ASN 241 N 1.30 6.69 0.00 2.29 3.84 -1.26 -0.82 114.94 126.98 1ir1 s ASN 241 Ca 0.35 1.65 0.24 0.00 0.21 0.00 0.00 52.86 55.31 1ir1 s ASN 241 Cb -0.16 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.24 1ir1 s ASN 241 CO 0.08 -0.99 1.25 0.00 -2.79 0.00 0.00 177.10 174.66 1ir1 n ALA 242 N 7.39 3.18 -1.66 1.71 0.00 -0.43 -4.91 120.51 125.80 1ir1 n ALA 242 Ca 0.16 -0.60 -0.48 0.00 0.00 0.00 0.00 53.44 52.52 1ir1 n ALA 242 Cb 0.45 -0.88 -0.05 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 0.18 0.10 -4.05 0.00 -1.04 -1.26 -4.34 114.28 103.87 1ir1 n THR 243 Ca 0.11 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 61.97 1ir1 n THR 243 Cb 0.47 -1.44 -0.03 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 n ALA 244 N 3.79 -0.26 0.20 2.41 0.00 -1.26 -4.83 120.51 120.56 1ir1 n ALA 244 Ca 0.18 -1.55 0.10 0.00 0.00 0.00 0.00 53.44 52.18 1ir1 n ALA 244 Cb 0.26 1.25 0.14 0.00 0.00 0.00 0.00 19.45 21.10 1ir1 n ALA 244 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ir1 h GLY 245 N 1.87 0.00 -2.92 0.00 0.00 -1.95 -3.47 103.07 96.60 1ir1 h GLY 245 Ca -0.25 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 1ir1 h GLY 245 CO 0.35 0.00 -0.66 -0.51 0.00 0.00 0.00 176.54 175.72 1ir1 s THR 246 N -3.18 0.23 0.21 4.70 -4.23 -1.26 -5.04 115.64 107.06 1ir1 s THR 246 Ca 0.06 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 58.57 1ir1 s THR 246 Cb 0.06 -1.97 0.15 0.00 1.34 0.00 0.00 72.50 72.08 1ir1 s THR 246 CO 0.69 -0.56 1.82 0.00 -0.54 0.00 0.00 174.62 176.03 1ir1 h GLU 248 N 1.06 0.72 -0.42 0.00 3.07 -1.99 -1.07 114.58 115.94 1ir1 h GLU 248 Ca 0.27 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.96 1ir1 h GLU 248 Cb 0.05 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1ir1 h GLU 248 CO -0.04 0.47 -0.24 -0.44 -1.40 0.00 0.00 179.01 177.36 1ir1 h ASP 249 N 0.74 0.94 -0.30 1.42 3.32 -1.93 -1.74 116.42 118.86 1ir1 h ASP 249 Ca 0.21 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1ir1 h ASP 249 Cb -0.05 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1ir1 h ASP 249 CO -0.06 1.15 0.16 -0.03 -1.72 0.00 0.00 179.24 178.74 1ir1 h MET 250 N 0.73 0.33 -0.68 3.56 1.85 -1.15 -2.43 114.93 117.13 1ir1 h MET 250 Ca 0.09 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.11 1ir1 h MET 250 Cb 0.81 -0.07 -0.03 0.00 0.43 0.00 0.00 31.60 32.74 1ir1 h MET 250 CO 0.07 0.22 0.25 0.52 -0.40 0.00 0.00 176.91 177.56 1ir1 h MET 251 N 0.34 1.02 -0.99 0.39 2.86 -1.12 -2.17 114.93 115.25 1ir1 h MET 251 Ca 0.12 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1ir1 h MET 251 Cb 0.02 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.46 1ir1 h MET 251 CO -0.07 0.85 0.65 -0.22 1.06 0.00 0.00 176.91 179.17 1ir1 h LYS 252 N 0.99 1.19 -0.10 1.72 3.64 -0.95 0.10 116.57 123.17 1ir1 h LYS 252 Ca 0.23 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.33 1ir1 h LYS 252 Cb 0.23 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1ir1 h LYS 252 CO -0.02 0.79 -0.75 0.00 -2.27 0.00 0.00 179.45 177.20 1ir1 h ARG 253 N 1.22 0.68 -0.76 1.90 3.08 -1.13 -2.83 114.38 116.55 1ir1 h ARG 253 Ca 0.40 -0.60 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 1ir1 h ARG 253 Cb 0.05 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1ir1 h ARG 253 CO -0.13 1.21 0.31 0.00 -1.07 0.00 0.00 179.97 180.29 1ir1 h ALA 254 N 0.48 1.12 -0.73 0.04 0.00 -0.99 -2.41 119.26 116.77 1ir1 h ALA 254 Ca -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ir1 h ALA 254 Cb 1.40 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1ir1 h ALA 254 CO 0.15 0.64 0.39 0.28 0.00 0.00 0.00 179.25 180.71 1ir1 h VAL 255 N 1.10 1.22 -0.23 0.00 2.07 -0.78 -1.94 116.25 117.70 1ir1 h VAL 255 Ca 0.26 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1ir1 h VAL 255 Cb 0.19 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ir1 h VAL 255 CO -0.02 0.25 -0.31 0.15 0.02 0.00 0.00 177.57 177.66 1ir1 h PHE 256 N 1.00 0.54 -0.76 1.57 3.57 -1.24 -1.54 116.94 120.08 1ir1 h PHE 256 Ca 0.25 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1ir1 h PHE 256 Cb 0.05 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1ir1 h PHE 256 CO -0.00 0.74 0.31 0.00 -2.23 0.00 0.00 178.31 177.12 1ir1 h ALA 257 N 1.26 1.10 -0.68 2.41 0.00 -1.04 -0.88 119.26 121.43 1ir1 h ALA 257 Ca 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ir1 h ALA 257 Cb 0.75 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1ir1 h ALA 257 CO 0.06 0.64 0.28 -0.09 0.00 0.00 0.00 179.25 180.14 1ir1 h ARG 258 N 1.11 1.00 -0.56 0.00 1.12 -0.92 -2.56 114.38 113.57 1ir1 h ARG 258 Ca 0.26 -0.17 -0.06 0.00 -1.11 0.00 0.00 59.98 58.89 1ir1 h ARG 258 Cb 0.21 -0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 29.97 1ir1 h ARG 258 CO -0.02 0.83 0.11 1.49 -3.11 0.00 0.00 179.97 179.27 1ir1 h GLU 259 N 0.95 0.88 0.00 0.20 4.81 -0.54 -2.31 114.58 118.56 1ir1 h GLU 259 Ca 0.23 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ir1 h GLU 259 Cb 0.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ir1 h GLU 259 CO -0.02 0.80 0.00 -0.07 -0.73 0.00 0.00 179.01 178.99 1ir1 h LEU 260 N 0.84 0.00 0.12 1.64 3.38 -0.81 -3.47 115.31 117.01 1ir1 h LEU 260 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1ir1 h LEU 260 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1ir1 h LEU 260 CO 0.00 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.10 1ir1 n GLY 261 N 0.27 0.58 3.81 0.83 0.00 -0.87 -5.03 105.19 104.77 1ir1 n GLY 261 Ca 0.03 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.98 3.91 -0.17 1.61 -7.23 -1.20 -5.01 120.40 110.33 1ir1 s VAL 262 Ca 0.00 0.92 0.21 0.00 -1.81 0.00 0.00 61.98 61.29 1ir1 s VAL 262 Cb 0.00 -3.43 0.21 0.00 0.56 0.00 0.00 36.38 33.72 1ir1 s VAL 262 CO 0.00 -0.52 1.62 1.55 -0.31 0.00 0.00 175.10 177.43 1ir1 h PRO 263 N 0.54 0.00 -3.06 4.82 0.13 -1.91 -3.46 132.00 129.06 1ir1 h PRO 263 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1ir1 h PRO 263 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 1ir1 h PRO 263 CO 0.58 0.24 -0.31 -1.50 -0.23 0.00 0.00 178.00 176.78 1ir1 s ILE 264 N -3.24 0.04 0.26 -3.56 2.07 -1.26 -1.33 121.20 114.19 1ir1 s ILE 264 Ca 0.04 -0.37 0.04 0.00 -1.41 0.00 0.00 60.65 58.95 1ir1 s ILE 264 Cb 0.07 -0.55 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 1ir1 s ILE 264 CO 0.68 -0.20 0.01 0.68 -1.91 0.00 0.00 174.94 174.20 1ir1 s VAL 265 N -0.94 1.11 0.17 4.00 -7.23 -0.75 -3.37 120.40 113.39 1ir1 s VAL 265 Ca -0.10 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 1ir1 s VAL 265 Cb -0.05 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1ir1 s VAL 265 CO 0.03 -0.24 -0.07 0.00 -0.31 0.00 0.00 175.10 174.51 1ir1 s MET 266 N -3.86 1.15 -0.13 4.82 0.23 -0.00 -0.76 119.30 120.75 1ir1 s MET 266 Ca 0.31 -1.52 -0.11 0.00 -1.03 0.00 0.00 55.69 53.33 1ir1 s MET 266 Cb 0.06 -0.63 0.03 0.00 -1.53 0.00 0.00 34.83 32.76 1ir1 s MET 266 CO 0.11 0.03 0.33 -1.58 -2.03 0.00 0.00 175.02 171.88 1ir1 s HIS 267 N -3.35 -0.37 -0.72 3.16 5.04 -0.32 -1.32 115.29 117.41 1ir1 s HIS 267 Ca 0.20 0.90 -0.20 0.00 -1.54 0.00 0.00 55.06 54.42 1ir1 s HIS 267 Cb 0.03 0.13 0.10 0.00 0.04 0.00 0.00 32.58 32.88 1ir1 s HIS 267 CO 0.03 -0.18 0.94 -0.51 -2.34 0.00 0.00 174.74 172.68 1ir1 s ASP 268 N 0.24 6.32 0.50 9.88 1.01 -1.26 -1.49 116.67 131.87 1ir1 s ASP 268 Ca -0.00 -1.44 0.25 0.00 0.71 0.00 0.00 52.55 52.07 1ir1 s ASP 268 Cb -0.03 -2.38 1.35 0.00 1.01 0.00 0.00 42.92 42.87 1ir1 s ASP 268 CO -0.00 -1.23 2.04 0.10 0.21 0.00 0.00 175.17 176.29 1ir1 h TYR 269 N 9.22 0.00 0.14 4.23 -0.00 -1.87 -1.15 116.97 127.53 1ir1 h TYR 269 Ca -0.16 0.00 -0.35 0.00 -0.00 0.00 0.00 58.73 58.22 1ir1 h TYR 269 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.78 1ir1 h TYR 269 CO 0.99 0.14 -1.87 -0.07 -0.00 0.00 0.00 178.16 177.36 1ir1 h LEU 270 N 0.00 0.45 -0.25 0.10 3.38 -1.79 -0.90 115.31 116.31 1ir1 h LEU 270 Ca -0.00 -0.86 -0.18 0.00 0.09 0.00 0.00 57.88 56.93 1ir1 h LEU 270 Cb 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1ir1 h LEU 270 CO 0.02 1.75 -0.87 0.71 0.09 0.00 0.00 178.44 180.14 1ir1 h THR 271 N 0.08 1.63 0.18 0.22 1.35 -1.72 -3.23 112.91 111.42 1ir1 h THR 271 Ca -0.38 -3.00 -0.24 0.00 -0.55 0.00 0.00 66.41 62.25 1ir1 h THR 271 Cb 2.05 2.62 0.03 0.00 -1.73 0.00 0.00 68.15 71.12 1ir1 h THR 271 CO 0.12 0.86 -1.04 1.23 -0.25 0.00 0.00 175.52 176.44 1ir1 h GLY 272 N 2.62 0.45 0.00 5.82 0.00 -1.35 -3.51 103.07 107.10 1ir1 h GLY 272 Ca -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 46.19 1ir1 h GLY 272 CO 0.11 0.99 0.00 0.61 0.00 0.00 0.00 176.54 178.26 1ir1 n GLY 273 N 1.67 2.93 0.35 4.60 0.00 -0.34 -4.68 105.19 109.71 1ir1 n GLY 273 Ca -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.09 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 1.17 -0.02 1.61 0.04 -1.88 -0.53 116.94 117.33 1ir1 h PHE 274 Ca 0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1ir1 h PHE 274 Cb 0.00 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 37.78 1ir1 h PHE 274 CO 0.00 0.86 0.00 1.15 -0.60 0.00 0.00 178.31 179.72 1ir1 h THR 275 N 1.16 0.99 -0.24 -1.55 2.02 -1.93 -0.30 112.91 113.06 1ir1 h THR 275 Ca 0.28 -0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.35 1ir1 h THR 275 Cb 0.14 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1ir1 h THR 275 CO -0.03 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.55 1ir1 h ALA 276 N 1.02 1.03 -0.56 6.16 0.00 -1.80 -2.72 119.26 122.38 1ir1 h ALA 276 Ca 0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1ir1 h ALA 276 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ir1 h ALA 276 CO -0.02 0.59 0.08 -0.97 0.00 0.00 0.00 179.25 178.93 1ir1 h ASN 277 N 0.42 0.91 -0.50 0.00 -1.24 -0.72 -1.88 115.58 112.57 1ir1 h ASN 277 Ca 0.05 -0.27 -0.06 0.00 0.71 0.00 0.00 56.30 56.74 1ir1 h ASN 277 Cb 0.75 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 1ir1 h ASN 277 CO 0.06 0.95 0.12 0.74 -1.29 0.00 0.00 177.43 178.01 1ir1 h THR 278 N 0.83 1.23 -0.25 -3.57 2.02 -0.95 0.67 112.91 112.90 1ir1 h THR 278 Ca 0.17 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1ir1 h THR 278 Cb 0.44 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1ir1 h THR 278 CO 0.01 0.32 0.15 0.74 0.37 0.00 0.00 175.52 177.11 1ir1 h THR 279 N 0.83 1.11 -0.66 3.16 2.02 -1.17 -2.02 112.91 116.17 1ir1 h THR 279 Ca 0.18 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1ir1 h THR 279 Cb 0.32 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1ir1 h THR 279 CO 0.00 0.10 0.10 0.25 0.37 0.00 0.00 175.52 176.35 1ir1 h LEU 280 N 0.31 1.05 -0.54 2.58 5.85 -0.92 -1.99 115.31 121.65 1ir1 h LEU 280 Ca 0.09 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.60 1ir1 h LEU 280 Cb 0.04 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1ir1 h LEU 280 CO -0.02 1.04 0.29 -1.28 -0.34 0.00 0.00 178.44 178.14 1ir1 h SER 281 N 1.03 0.44 -0.56 1.25 0.87 -0.65 0.51 113.55 116.42 1ir1 h SER 281 Ca 0.20 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.69 1ir1 h SER 281 Cb 0.44 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1ir1 h SER 281 CO 0.01 0.30 -0.01 0.45 -0.53 0.00 0.00 176.83 177.05 1ir1 h HIS 282 N 0.57 1.11 -0.59 2.24 3.86 -1.14 -2.33 115.15 118.86 1ir1 h HIS 282 Ca 0.24 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1ir1 h HIS 282 Cb 0.12 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1ir1 h HIS 282 CO -0.09 0.99 0.21 -0.92 0.86 0.00 0.00 177.93 178.98 1ir1 h TYR 283 N 0.94 0.93 -0.46 2.45 3.20 -0.71 -1.89 116.97 121.43 1ir1 h TYR 283 Ca 0.17 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1ir1 h TYR 283 Cb 0.55 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1ir1 h TYR 283 CO 0.04 0.76 0.09 0.00 -1.64 0.00 0.00 178.16 177.40 1ir1 h ARG 285 N 0.68 0.63 0.00 0.00 9.65 -1.11 -1.00 114.38 123.22 1ir1 h ARG 285 Ca 0.15 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1ir1 h ARG 285 Cb 0.29 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1ir1 h ARG 285 CO 0.00 0.70 0.00 -0.25 2.80 0.00 0.00 179.97 183.22 1ir1 n ASP 286 N -4.53 0.40 -0.03 -3.80 8.00 -0.74 -3.69 116.55 112.16 1ir1 n ASP 286 Ca -0.01 0.56 0.02 0.00 0.71 0.00 0.00 54.79 56.07 1ir1 n ASP 286 Cb 0.24 -0.66 0.02 0.00 -0.02 0.00 0.00 41.12 40.70 1ir1 n ASP 286 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ir1 n ASN 287 N -1.90 1.66 -1.39 -2.24 3.02 -0.48 -5.02 115.26 108.89 1ir1 n ASN 287 Ca 0.05 -2.03 -0.14 0.00 -0.03 0.00 0.00 54.58 52.43 1ir1 n ASN 287 Cb 0.30 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 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 -0.56 0.33 3.75 7.41 0.00 -0.48 -5.01 105.19 110.62 1ir1 n GLY 288 Ca 0.03 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.65 4.17 0.45 0.99 1.43 -0.63 -4.96 118.68 116.48 1ir1 s LEU 289 Ca 0.00 0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.13 1ir1 s LEU 289 Cb 0.00 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 1ir1 s LEU 289 CO 0.00 0.23 1.08 -0.76 0.23 0.00 0.00 176.35 177.13 1ir1 s LEU 290 N 0.03 3.99 -0.24 1.79 1.43 -0.44 -4.59 118.68 120.65 1ir1 s LEU 290 Ca 0.09 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.27 1ir1 s LEU 290 Cb -0.11 -4.35 0.06 0.00 0.03 0.00 0.00 46.19 41.81 1ir1 s LEU 290 CO -0.00 -0.73 -0.07 -0.22 0.23 0.00 0.00 176.35 175.56 1ir1 s LEU 291 N -3.09 2.78 -0.08 1.79 2.96 -1.26 -1.82 118.68 119.96 1ir1 s LEU 291 Ca 0.63 -1.23 -0.21 0.00 -0.22 0.00 0.00 54.13 53.10 1ir1 s LEU 291 Cb -0.22 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1ir1 s LEU 291 CO 0.26 -0.23 0.60 -2.28 -1.32 0.00 0.00 176.35 173.39 1ir1 s HIS 292 N 1.33 3.56 -0.17 5.38 5.65 0.06 -0.36 115.29 130.74 1ir1 s HIS 292 Ca -0.06 1.10 -0.03 0.00 0.25 0.00 0.00 55.06 56.31 1ir1 s HIS 292 Cb -0.19 -2.69 -0.02 0.00 -1.18 0.00 0.00 32.58 28.50 1ir1 s HIS 292 CO -0.06 0.14 -0.05 0.42 -0.65 0.00 0.00 174.74 174.54 1ir1 s ILE 293 N 0.66 3.66 -0.13 0.89 -1.09 -0.71 -1.18 121.20 123.31 1ir1 s ILE 293 Ca 0.32 -0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 58.26 1ir1 s ILE 293 Cb -0.17 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 1ir1 s ILE 293 CO 0.15 0.47 0.08 -2.28 -1.23 0.00 0.00 174.94 172.13 1ir1 s HIS 294 N 0.69 3.38 -0.42 3.97 5.65 -0.55 -3.34 115.29 124.67 1ir1 s HIS 294 Ca -0.02 0.32 0.02 0.00 0.25 0.00 0.00 55.06 55.63 1ir1 s HIS 294 Cb -0.15 -1.93 0.53 0.00 -1.18 0.00 0.00 32.58 29.85 1ir1 s HIS 294 CO 0.02 0.52 1.83 2.89 -0.65 0.00 0.00 174.74 179.35 1ir1 n ARG 295 N 2.41 2.13 -1.53 2.88 1.85 -1.26 -2.82 116.66 120.33 1ir1 n ARG 295 Ca -0.19 -2.59 -0.51 0.00 -1.00 0.00 0.00 57.85 53.56 1ir1 n ARG 295 Cb 0.54 -2.02 -0.05 0.00 -1.05 0.00 0.00 32.46 29.88 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 -0.82 -1.73 0.00 2.89 0.00 -1.26 -1.40 120.51 118.19 1ir1 n ALA 296 Ca 0.51 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.44 1ir1 n ALA 296 Cb 1.32 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1ir1 n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ir1 n MET 297 N 1.61 0.00 -0.36 0.00 0.00 -1.26 -4.17 117.12 112.95 1ir1 n MET 297 Ca 0.17 0.00 0.09 0.00 -0.00 0.00 0.00 57.70 57.95 1ir1 n MET 297 Cb 0.21 -0.86 0.27 0.00 0.00 0.00 0.00 33.22 32.83 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 1.11 0.00 1.12 -0.00 -1.66 -1.35 115.15 114.37 1ir1 h HIS 298 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1ir1 h HIS 298 Cb 0.00 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.06 1ir1 h HIS 298 CO 0.00 0.40 -0.00 0.00 -0.00 0.00 0.00 177.93 178.33 1ir1 h ALA 299 N 1.57 1.00 0.00 6.11 0.00 -1.92 0.42 119.26 126.44 1ir1 h ALA 299 Ca 0.51 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 1ir1 h ALA 299 Cb 0.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ir1 h ALA 299 CO -0.29 0.00 -0.27 0.28 0.00 0.00 0.00 179.25 178.97 1ir1 h VAL 300 N 0.00 1.09 0.00 0.00 2.07 -1.66 -3.10 116.25 114.65 1ir1 h VAL 300 Ca -0.00 -0.95 -0.39 0.00 0.82 0.00 0.00 66.70 66.18 1ir1 h VAL 300 Cb 0.26 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 1ir1 h VAL 300 CO 0.00 0.26 -2.47 -0.38 0.02 0.00 0.00 177.57 175.01 1ir1 n ILE 301 N -4.07 1.47 -0.16 4.57 5.41 -0.25 -4.77 119.36 121.57 1ir1 n ILE 301 Ca -0.02 -0.57 0.08 0.00 1.00 0.00 0.00 62.75 63.24 1ir1 n ILE 301 Cb 0.33 -1.39 0.20 0.00 -0.71 0.00 0.00 39.64 38.07 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 -3.24 3.19 -0.01 4.38 5.68 -0.02 -2.22 116.55 124.31 1ir1 n ASP 302 Ca -0.45 -1.97 -0.13 0.00 -0.50 0.00 0.00 54.79 51.74 1ir1 n ASP 302 Cb 0.99 -0.29 -0.10 0.00 -1.14 0.00 0.00 41.12 40.58 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 2.83 -0.04 -6.68 0.11 9.65 -1.78 -3.43 114.38 115.05 1ir1 h ARG 303 Ca 0.00 0.00 -0.50 0.00 -1.10 0.00 0.00 59.98 58.38 1ir1 h ARG 303 Cb 0.80 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.37 1ir1 h ARG 303 CO 0.00 0.51 0.29 -0.65 2.80 0.00 0.00 179.97 182.92 1ir1 s GLN 304 N -3.89 4.72 0.30 0.20 -1.52 -1.26 -3.38 119.66 114.84 1ir1 s GLN 304 Ca -0.16 1.35 0.06 0.00 -1.95 0.00 0.00 55.36 54.66 1ir1 s GLN 304 Cb 0.01 -3.22 0.48 0.00 -0.22 0.00 0.00 33.01 30.05 1ir1 s GLN 304 CO 0.65 0.51 1.73 -0.22 -0.25 0.00 0.00 175.29 177.71 1ir1 h LYS 305 N 4.11 0.29 0.00 2.91 3.64 -1.89 -3.29 116.57 122.34 1ir1 h LYS 305 Ca -0.46 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 58.73 1ir1 h LYS 305 Cb 1.20 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1ir1 h LYS 305 CO 0.67 0.61 -0.72 -2.95 -2.27 0.00 0.00 179.45 174.79 1ir1 h ASN 306 N 0.25 0.00 -3.79 4.20 -1.07 -1.94 -3.47 115.58 109.76 1ir1 h ASN 306 Ca 0.03 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.23 1ir1 h ASN 306 Cb 0.74 0.00 -0.26 0.00 -2.07 0.00 0.00 38.32 36.73 1ir1 h ASN 306 CO 0.06 0.28 -0.44 -2.28 0.07 0.00 0.00 177.43 175.12 1ir1 s HIS 307 N -3.11 -0.27 -0.37 4.14 5.04 -1.24 -3.26 115.29 116.22 1ir1 s HIS 307 Ca 0.02 0.65 0.00 0.00 -1.54 0.00 0.00 55.06 54.19 1ir1 s HIS 307 Cb 0.08 0.09 0.00 0.00 0.04 0.00 0.00 32.58 32.78 1ir1 s HIS 307 CO 0.75 -0.13 0.00 0.41 -2.34 0.00 0.00 174.74 173.43 1ir1 n GLY 308 N 3.03 0.20 2.79 1.59 0.00 -0.62 -4.45 105.19 107.73 1ir1 n GLY 308 Ca -0.13 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.34 0.02 0.61 1.61 -1.94 -0.94 -1.29 119.30 117.03 1ir1 s MET 309 Ca 0.00 0.15 -0.17 0.00 -1.71 0.00 0.00 55.69 53.97 1ir1 s MET 309 Cb 0.00 -0.26 -0.02 0.00 2.01 0.00 0.00 34.83 36.55 1ir1 s MET 309 CO 0.00 -0.15 1.12 -1.58 -0.01 0.00 0.00 175.02 174.40 1ir1 s HIS 310 N 0.97 2.65 0.43 -0.03 2.46 -0.41 -3.47 115.29 117.88 1ir1 s HIS 310 Ca -0.08 1.55 0.09 0.00 0.47 0.00 0.00 55.06 57.08 1ir1 s HIS 310 Cb -0.12 -3.21 0.92 0.00 -0.13 0.00 0.00 32.58 30.04 1ir1 s HIS 310 CO -0.03 -1.62 2.05 0.35 -2.47 0.00 0.00 174.74 173.03 1ir1 h PHE 311 N 0.51 0.39 -0.39 3.88 3.57 -1.92 -2.06 116.94 120.93 1ir1 h PHE 311 Ca -0.48 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.13 1ir1 h PHE 311 Cb 1.25 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1ir1 h PHE 311 CO 0.53 0.28 0.29 0.07 -2.23 0.00 0.00 178.31 177.25 1ir1 h ARG 312 N 0.41 0.00 -0.08 1.11 0.11 -1.91 0.42 114.38 114.43 1ir1 h ARG 312 Ca 0.11 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.96 1ir1 h ARG 312 Cb 0.02 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.11 1ir1 h ARG 312 CO -0.02 0.00 -0.87 0.28 0.10 0.00 0.00 179.97 179.46 1ir1 h VAL 313 N 0.00 1.31 0.00 0.08 2.07 -1.61 -1.93 116.25 116.16 1ir1 h VAL 313 Ca 0.18 -2.14 -0.10 0.00 0.82 0.00 0.00 66.70 65.46 1ir1 h VAL 313 Cb 0.76 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1ir1 h VAL 313 CO -0.00 0.66 -0.49 -0.07 0.02 0.00 0.00 177.57 177.69 1ir1 h LEU 314 N 0.42 0.00 -0.12 2.57 3.38 -0.92 -2.35 115.31 118.29 1ir1 h LEU 314 Ca -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1ir1 h LEU 314 Cb 1.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 1ir1 h LEU 314 CO 0.17 0.49 -0.13 0.00 0.09 0.00 0.00 178.44 179.06 1ir1 h ALA 315 N 1.51 0.17 -0.71 1.53 0.00 -0.18 -2.35 119.26 119.24 1ir1 h ALA 315 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ir1 h ALA 315 Cb 0.88 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1ir1 h ALA 315 CO 0.06 0.04 0.35 0.87 0.00 0.00 0.00 179.25 180.58 1ir1 h LYS 316 N -0.11 1.00 -0.74 0.00 1.57 -1.27 -1.99 116.57 115.02 1ir1 h LYS 316 Ca 0.02 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1ir1 h LYS 316 Cb 0.66 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1ir1 h LYS 316 CO 0.03 0.76 0.34 0.00 -0.57 0.00 0.00 179.45 180.01 1ir1 h ALA 317 N 1.39 1.20 -0.38 3.86 0.00 -1.36 -2.45 119.26 121.53 1ir1 h ALA 317 Ca 0.25 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1ir1 h ALA 317 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ir1 h ALA 317 CO -0.03 0.60 -0.37 1.25 0.00 0.00 0.00 179.25 180.69 1ir1 h LEU 318 N 1.06 0.97 -1.76 0.00 7.12 -0.89 -1.30 115.31 120.51 1ir1 h LEU 318 Ca 0.25 -0.44 -0.03 0.00 0.13 0.00 0.00 57.88 57.80 1ir1 h LEU 318 Cb 0.13 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 39.98 1ir1 h LEU 318 CO -0.03 1.23 -0.13 -0.09 -0.13 0.00 0.00 178.44 179.29 1ir1 h ARG 319 N 0.75 0.00 0.02 1.25 2.43 -1.02 0.33 114.38 118.15 1ir1 h ARG 319 Ca 0.06 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1ir1 h ARG 319 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1ir1 h ARG 319 CO 0.09 0.13 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.60 1ir1 h LEU 320 N 0.00 -0.03 -0.26 3.80 3.38 -1.26 -3.27 115.31 117.68 1ir1 h LEU 320 Ca -0.00 -0.64 0.01 0.00 0.09 0.00 0.00 57.88 57.34 1ir1 h LEU 320 Cb 0.23 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ir1 h LEU 320 CO 0.02 0.76 0.14 -1.28 0.09 0.00 0.00 178.44 178.17 1ir1 h SER 321 N -0.95 0.22 0.00 -0.43 0.87 -1.07 -2.65 113.55 109.54 1ir1 h SER 321 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ir1 h SER 321 Cb 0.67 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1ir1 h SER 321 CO 0.01 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.08 1ir1 n GLY 322 N -1.17 3.71 3.64 5.77 0.00 0.11 -4.46 105.19 112.79 1ir1 n GLY 322 Ca -0.02 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 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 0.12 -0.01 -0.02 0.00 -1.25 -4.78 107.32 101.38 1ir1 s GLY 323 Ca 0.00 3.03 0.14 0.00 0.00 0.00 0.00 44.72 47.89 1ir1 s GLY 323 CO 0.00 1.66 0.72 1.22 0.00 0.00 0.00 173.10 176.70 1ir1 n ASP 324 N 1.44 0.87 -4.26 1.64 8.00 0.52 -4.46 116.55 120.30 1ir1 n ASP 324 Ca -0.09 0.41 -0.16 0.00 0.71 0.00 0.00 54.79 55.66 1ir1 n ASP 324 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.57 1ir1 n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1ir1 s HIS 325 N -2.70 1.36 -0.27 1.24 3.76 -1.09 -1.30 115.29 116.29 1ir1 s HIS 325 Ca -0.04 -0.68 -0.23 0.00 -0.15 0.00 0.00 55.06 53.96 1ir1 s HIS 325 Cb 0.08 -0.68 0.07 0.00 1.11 0.00 0.00 32.58 33.16 1ir1 s HIS 325 CO 0.82 0.14 0.72 -1.50 -0.85 0.00 0.00 174.74 174.08 1ir1 s ILE 326 N -2.97 0.00 0.33 0.60 2.07 -0.87 -1.74 121.20 118.61 1ir1 s ILE 326 Ca 0.15 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.11 1ir1 s ILE 326 Cb 0.00 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.49 1ir1 s ILE 326 CO 0.02 0.00 1.30 -1.00 -1.91 0.00 0.00 174.94 173.35 1ir1 s HIS 327 N 0.65 3.07 0.00 3.50 3.76 -1.21 -0.74 115.29 124.33 1ir1 s HIS 327 Ca -0.02 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 1ir1 s HIS 327 Cb -0.05 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 29.98 1ir1 s HIS 327 CO -0.04 -1.80 0.15 -1.13 -0.85 0.00 0.00 174.74 171.07 1ir1 n SER 328 N 0.85 0.30 0.00 1.40 3.41 -0.42 -4.76 113.62 114.40 1ir1 n SER 328 Ca 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1ir1 n SER 328 Cb 0.42 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.53 1.02 0.00 5.00 0.00 -1.25 -4.92 105.19 105.57 1ir1 n GLY 329 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 1.16 0.00 0.00 2.61 -2.24 -1.26 -4.28 114.28 110.27 1ir1 n THR 330 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ir1 n THR 330 Cb 0.00 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.19 0.00 1.16 2.28 0.31 -1.26 -4.36 118.33 115.27 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 0.00 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.16 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 -0.52 2.52 0.24 -1.26 -4.66 118.33 114.64 1ir1 n VAL 332 Ca 0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1ir1 n VAL 332 Cb 0.00 0.78 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 1.36 -0.32 0.14 7.63 0.00 -1.26 -4.29 105.19 108.45 1ir1 n GLY 333 Ca 0.12 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 -6.21 1.61 2.10 -1.52 -3.43 116.57 109.11 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 -0.63 -0.51 -2.00 0.00 0.00 179.45 176.31 1ir1 s LEU 335 N -4.83 3.59 0.56 7.07 1.43 -1.26 -5.05 118.68 120.18 1ir1 s LEU 335 Ca 0.08 -0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 1ir1 s LEU 335 Cb 0.10 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1ir1 s LEU 335 CO 0.55 0.22 1.28 -0.70 0.23 0.00 0.00 176.35 177.93 1ir1 s GLU 336 N -2.00 3.10 0.00 1.70 2.12 -1.26 -4.60 118.70 117.76 1ir1 s GLU 336 Ca 0.24 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.61 1ir1 s GLU 336 Cb -0.12 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.14 1ir1 s GLU 336 CO 0.16 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 1ir1 n GLY 337 N 0.66 0.55 3.76 -1.50 0.00 -1.26 -4.84 105.19 102.57 1ir1 n GLY 337 Ca 0.12 0.64 -0.39 0.00 0.00 0.00 0.00 46.02 46.38 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 4.73 0.09 1.61 0.41 -1.26 -4.10 118.70 120.18 1ir1 s GLU 338 Ca 0.00 1.38 -0.34 0.00 -0.41 0.00 0.00 54.97 55.60 1ir1 s GLU 338 Cb 0.00 -3.15 -0.15 0.00 -1.78 0.00 0.00 34.13 29.05 1ir1 s GLU 338 CO 0.00 0.47 1.58 -0.09 -0.49 0.00 0.00 175.26 176.72 1ir1 h ARG 339 N 3.92 -0.86 -0.42 1.61 2.43 -1.98 -0.76 114.38 118.32 1ir1 h ARG 339 Ca -0.46 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1ir1 h ARG 339 Cb 1.20 0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 1ir1 h ARG 339 CO 0.67 -0.57 0.26 -0.44 -1.51 0.00 0.00 179.97 178.37 1ir1 h ASP 340 N -0.89 0.43 -0.61 -3.80 3.32 -1.95 -0.81 116.42 112.11 1ir1 h ASP 340 Ca -0.04 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1ir1 h ASP 340 Cb 0.80 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1ir1 h ASP 340 CO -0.11 0.31 0.24 0.40 -1.72 0.00 0.00 179.24 178.36 1ir1 h ILE 341 N 0.52 1.23 -0.26 0.35 2.04 -1.78 -1.77 117.51 117.84 1ir1 h ILE 341 Ca 0.16 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1ir1 h ILE 341 Cb -0.01 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1ir1 h ILE 341 CO -0.06 0.29 -0.04 0.74 0.00 0.00 0.00 178.15 179.09 1ir1 h THR 342 N 0.93 1.27 0.00 -0.27 2.02 -0.69 -2.45 112.91 113.71 1ir1 h THR 342 Ca 0.21 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1ir1 h THR 342 Cb 0.21 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1ir1 h THR 342 CO -0.02 0.32 -0.04 -0.07 0.37 0.00 0.00 175.52 176.08 1ir1 h LEU 343 N 0.25 0.00 0.30 2.58 3.38 -0.98 -1.47 115.31 119.38 1ir1 h LEU 343 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ir1 h LEU 343 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1ir1 h LEU 343 CO 0.02 0.04 -0.15 1.23 0.09 0.00 0.00 178.44 179.68 1ir1 h GLY 344 N 0.12 -0.42 1.90 0.83 0.00 -0.86 -2.75 103.07 101.89 1ir1 h GLY 344 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1ir1 h GLY 344 CO 0.01 -0.15 -0.02 1.97 0.00 0.00 0.00 176.54 178.34 1ir1 n PHE 345 N -5.19 0.00 0.04 5.60 1.16 -1.05 -2.80 117.46 115.22 1ir1 n PHE 345 Ca -0.10 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.33 1ir1 n PHE 345 Cb 0.23 -0.46 -0.05 0.00 -1.61 0.00 0.00 39.48 37.59 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 0.01 1.34 -0.34 1.97 2.07 -1.21 -2.34 116.25 117.73 1ir1 h VAL 346 Ca 0.00 -2.22 -0.12 0.00 0.82 0.00 0.00 66.70 65.18 1ir1 h VAL 346 Cb 0.47 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1ir1 h VAL 346 CO 0.00 0.68 -0.26 0.44 0.02 0.00 0.00 177.57 178.45 1ir1 h ASP 347 N 0.36 0.71 0.46 0.57 3.32 -1.36 -1.79 116.42 118.69 1ir1 h ASP 347 Ca -0.08 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 1ir1 h ASP 347 Cb 1.51 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 1ir1 h ASP 347 CO 0.17 0.94 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.44 1ir1 h LEU 348 N 0.60 0.00 0.04 1.55 3.38 -1.43 -0.95 115.31 118.51 1ir1 h LEU 348 Ca 0.08 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.75 1ir1 h LEU 348 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1ir1 h LEU 348 CO 0.06 0.12 -1.67 -0.07 0.09 0.00 0.00 178.44 176.97 1ir1 h LEU 349 N 0.00 0.13 0.00 1.67 3.38 -0.92 -3.42 115.31 116.15 1ir1 h LEU 349 Ca -0.00 -0.25 -0.37 0.00 0.09 0.00 0.00 57.88 57.35 1ir1 h LEU 349 Cb 0.38 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1ir1 h LEU 349 CO 0.02 1.22 -2.42 0.54 0.09 0.00 0.00 178.44 177.88 1ir1 n ARG 350 N -3.21 0.64 -1.86 1.13 1.74 -0.72 -0.36 116.66 114.02 1ir1 n ARG 350 Ca -0.18 0.14 -0.29 0.00 -0.77 0.00 0.00 57.85 56.75 1ir1 n ARG 350 Cb 1.04 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 31.09 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 -6.37 4.20 0.01 0.55 1.01 -0.38 -4.32 116.67 111.38 1ir1 s ASP 351 Ca -0.32 0.74 0.22 0.00 0.71 0.00 0.00 52.55 53.89 1ir1 s ASP 351 Cb 0.09 -1.18 -0.20 0.00 1.01 0.00 0.00 42.92 42.63 1ir1 s ASP 351 CO 0.59 -2.10 0.74 -0.67 0.21 0.00 0.00 175.17 173.94 1ir1 n ASP 352 N -3.43 0.42 -3.69 0.27 2.03 -1.26 -4.84 116.55 106.04 1ir1 n ASP 352 Ca 0.09 -0.24 -0.10 0.00 0.52 0.00 0.00 54.79 55.06 1ir1 n ASP 352 Cb 0.61 1.38 -0.11 0.00 -0.72 0.00 0.00 41.12 42.28 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 -3.32 -0.61 -0.08 -0.67 5.04 -1.26 -0.93 117.35 115.52 1ir1 s TYR 353 Ca -0.01 1.28 -0.01 0.00 -2.44 0.00 0.00 57.07 55.89 1ir1 s TYR 353 Cb 0.14 0.25 0.03 0.00 0.35 0.00 0.00 41.96 42.73 1ir1 s TYR 353 CO 0.87 -0.35 -0.02 0.99 -1.34 0.00 0.00 175.55 175.69 1ir1 s THR 354 N 1.56 0.53 0.41 4.34 2.01 -0.28 -5.01 115.64 119.19 1ir1 s THR 354 Ca -0.08 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.74 1ir1 s THR 354 Cb -0.09 -0.64 -0.10 0.00 0.01 0.00 0.00 72.50 71.68 1ir1 s THR 354 CO -0.12 0.28 0.89 -1.61 -0.69 0.00 0.00 174.62 173.37 1ir1 s GLU 355 N 1.80 4.14 0.18 4.92 2.02 -1.26 -0.65 118.70 129.85 1ir1 s GLU 355 Ca 0.03 0.97 -0.33 0.00 0.02 0.00 0.00 54.97 55.67 1ir1 s GLU 355 Cb -0.13 -2.25 -0.15 0.00 0.10 0.00 0.00 34.13 31.71 1ir1 s GLU 355 CO -0.05 -0.00 1.26 1.17 0.02 0.00 0.00 175.26 177.65 1ir1 n LYS 356 N -0.67 1.42 -3.23 1.61 4.81 -1.26 -4.81 118.16 116.04 1ir1 n LYS 356 Ca 0.06 0.51 -0.02 0.00 -0.87 0.00 0.00 58.31 57.99 1ir1 n LYS 356 Cb 0.54 -2.07 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 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 0.14 -0.86 0.59 3.14 2.15 0.13 -4.98 116.67 116.99 1ir1 s ASP 357 Ca 0.73 -0.47 0.34 0.00 0.43 0.00 0.00 52.55 53.58 1ir1 s ASP 357 Cb -0.80 1.65 1.87 0.00 -0.30 0.00 0.00 42.92 45.34 1ir1 s ASP 357 CO 0.51 -0.26 2.22 0.03 -0.17 0.00 0.00 175.17 177.49 1ir1 h ARG 358 N 7.58 0.00 0.00 4.34 2.47 -1.93 -1.23 114.38 125.60 1ir1 h ARG 358 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ir1 h ARG 358 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1ir1 h ARG 358 CO 0.16 0.03 0.00 0.66 0.56 0.00 0.00 179.97 181.39 1ir1 h SER 359 N 0.00 0.00 -0.14 7.04 4.64 -1.96 -2.62 113.55 120.52 1ir1 h SER 359 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ir1 h SER 359 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 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 -2.82 2.60 -1.24 4.77 1.74 -0.67 -4.78 116.66 116.25 1ir1 n ARG 360 Ca 0.01 -2.10 -0.06 0.00 -0.77 0.00 0.00 57.85 54.92 1ir1 n ARG 360 Cb 0.27 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.42 0.82 3.36 -0.13 0.00 -0.99 -4.50 105.19 103.32 1ir1 n GLY 361 Ca 0.10 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.24 5.20 -0.04 -0.61 1.01 -0.55 -4.92 121.20 119.05 1ir1 s ILE 362 Ca 0.00 -1.23 0.13 0.00 0.00 0.00 0.00 60.65 59.54 1ir1 s ILE 362 Cb 0.00 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1ir1 s ILE 362 CO 0.00 -0.73 1.42 1.88 0.00 0.00 0.00 174.94 177.51 1ir1 h TYR 363 N 8.83 0.00 -3.83 3.97 -1.99 -1.94 0.40 116.97 122.41 1ir1 h TYR 363 Ca -0.29 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.07 1ir1 h TYR 363 Cb 1.10 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 39.64 1ir1 h TYR 363 CO 0.69 0.65 -0.76 -0.06 -0.00 0.00 0.00 178.16 178.68 1ir1 s PHE 364 N -2.94 1.13 0.05 4.88 0.08 -1.26 -4.86 117.98 115.06 1ir1 s PHE 364 Ca 0.03 -0.53 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 1ir1 s PHE 364 Cb 0.09 -0.63 -0.05 0.00 -0.57 0.00 0.00 43.02 41.86 1ir1 s PHE 364 CO 0.76 0.04 1.09 0.99 -0.10 0.00 0.00 175.22 178.00 1ir1 s THR 365 N -1.75 4.39 -0.09 0.64 2.01 -1.26 -4.15 115.64 115.42 1ir1 s THR 365 Ca 0.01 1.75 0.04 0.00 0.31 0.00 0.00 61.69 63.80 1ir1 s THR 365 Cb -0.07 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.32 1ir1 s THR 365 CO 0.02 0.16 -0.21 -1.58 -0.69 0.00 0.00 174.62 172.31 1ir1 s GLN 366 N 0.86 2.74 0.05 4.92 2.00 0.17 -4.91 119.66 125.50 1ir1 s GLN 366 Ca 0.55 -0.77 0.08 0.00 -2.00 0.00 0.00 55.36 53.21 1ir1 s GLN 366 Cb -0.26 -2.10 -0.03 0.00 0.80 0.00 0.00 33.01 31.42 1ir1 s GLN 366 CO 0.29 0.15 -0.20 0.45 -0.50 0.00 0.00 175.29 175.48 1ir1 s SER 367 N 0.41 3.65 0.00 6.67 0.15 -1.26 -1.13 113.70 122.19 1ir1 s SER 367 Ca -0.18 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.02 1ir1 s SER 367 Cb -0.17 -0.52 0.06 0.00 -1.71 0.00 0.00 66.02 63.68 1ir1 s SER 367 CO 0.08 0.24 0.79 0.79 1.20 0.00 0.00 173.24 176.34 1ir1 n TRP 368 N 1.49 0.06 -4.00 3.44 7.02 -0.11 -4.70 117.44 120.64 1ir1 n TRP 368 Ca -0.16 -0.17 -0.34 0.00 -1.02 0.00 0.00 57.50 55.81 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 0.13 -1.69 -1.30 -0.99 0.24 -1.26 -1.14 118.33 112.32 1ir1 n VAL 369 Ca 0.03 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.34 61.78 1ir1 n VAL 369 Cb 0.18 -1.47 -0.04 0.00 -1.47 0.00 0.00 33.84 31.03 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 -1.71 -4.64 -4.72 -1.34 7.64 -1.26 -4.99 113.62 102.60 1ir1 n SER 370 Ca -0.14 0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.58 1ir1 n SER 370 Cb 0.48 -3.05 -0.03 0.00 -1.01 0.00 0.00 64.21 60.59 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 -2.25 3.21 0.63 0.44 2.01 -0.29 -4.93 115.64 114.47 1ir1 s THR 371 Ca 0.00 0.88 -0.17 0.00 0.31 0.00 0.00 61.69 62.71 1ir1 s THR 371 Cb 0.00 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1ir1 s THR 371 CO 0.00 0.08 0.62 -2.65 -0.69 0.00 0.00 174.62 171.98 1ir1 n PRO 372 N 3.74 0.51 -2.17 4.92 -0.02 -1.26 -4.93 135.00 135.79 1ir1 n PRO 372 Ca 0.11 0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 61.50 1ir1 n PRO 372 Cb 0.42 -1.85 0.02 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.31 1.60 -0.10 -1.23 0.00 -1.26 -4.68 107.32 100.34 1ir1 s GLY 373 Ca 0.69 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.08 1ir1 s GLY 373 CO 0.54 -0.08 -0.13 0.14 0.00 0.00 0.00 173.10 173.57 1ir1 s VAL 374 N -3.06 3.15 -0.11 1.40 1.01 0.52 -2.45 120.40 120.86 1ir1 s VAL 374 Ca 0.53 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1ir1 s VAL 374 Cb -0.11 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1ir1 s VAL 374 CO 0.50 0.55 1.31 -0.76 0.00 0.00 0.00 175.10 176.70 1ir1 s LEU 375 N -0.14 4.23 0.26 3.92 1.43 -0.42 -4.27 118.68 123.69 1ir1 s LEU 375 Ca -0.01 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 1ir1 s LEU 375 Cb -0.13 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 1ir1 s LEU 375 CO 0.03 -0.74 1.03 -2.16 0.23 0.00 0.00 176.35 174.74 1ir1 s PRO 376 N 3.16 4.74 -0.23 1.29 0.04 -1.26 -2.05 135.00 140.70 1ir1 s PRO 376 Ca 0.58 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 63.25 1ir1 s PRO 376 Cb -0.25 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.07 1ir1 s PRO 376 CO 0.19 0.35 -0.07 0.08 0.04 0.00 0.00 177.00 177.59 1ir1 s VAL 377 N -1.13 3.04 -0.28 -0.36 1.01 0.09 -1.43 120.40 121.33 1ir1 s VAL 377 Ca 0.43 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1ir1 s VAL 377 Cb -0.29 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1ir1 s VAL 377 CO 0.37 0.36 0.41 0.00 0.00 0.00 0.00 175.10 176.24 1ir1 s ALA 378 N 1.41 3.55 -0.05 5.51 0.00 0.59 -1.31 121.76 131.47 1ir1 s ALA 378 Ca 0.04 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 1ir1 s ALA 378 Cb -0.15 -2.78 0.04 0.00 0.00 0.00 0.00 23.12 20.23 1ir1 s ALA 378 CO -0.05 -0.76 0.41 0.45 0.00 0.00 0.00 175.76 175.81 1ir1 s SER 379 N 1.65 -0.33 0.00 0.00 0.15 -1.26 -0.87 113.70 113.03 1ir1 s SER 379 Ca 0.16 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1ir1 s SER 379 Cb -0.16 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1ir1 s SER 379 CO 0.10 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1ir1 n GLY 380 N 1.45 1.71 2.25 9.45 0.00 -1.26 -4.61 105.19 114.18 1ir1 n GLY 380 Ca -0.20 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 0.19 0.10 3.75 -0.02 0.00 -1.26 -1.80 105.19 106.14 1ir1 n GLY 381 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.58 4.14 0.33 -0.61 -4.36 -1.26 -4.20 121.20 112.66 1ir1 s ILE 382 Ca 0.00 -1.33 -0.02 0.00 -0.26 0.00 0.00 60.65 59.04 1ir1 s ILE 382 Cb 0.00 -3.14 -0.00 0.00 1.25 0.00 0.00 42.46 40.57 1ir1 s ILE 382 CO 0.00 -0.18 0.45 -1.38 0.24 0.00 0.00 174.94 174.07 1ir1 s HIS 383 N -1.87 1.06 0.41 1.37 -3.43 -1.26 -4.41 115.29 107.16 1ir1 s HIS 383 Ca 0.30 -1.28 0.24 0.00 -0.80 0.00 0.00 55.06 53.52 1ir1 s HIS 383 Cb -0.09 -0.12 1.30 0.00 -1.43 0.00 0.00 32.58 32.24 1ir1 s HIS 383 CO 0.22 -1.10 1.65 -0.39 -2.00 0.00 0.00 174.74 173.13 1ir1 h VAL 384 N 2.14 0.22 0.00 -5.38 -1.51 -1.93 0.16 116.25 109.94 1ir1 h VAL 384 Ca -0.28 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1ir1 h VAL 384 Cb 1.24 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1ir1 h VAL 384 CO 0.39 0.03 0.00 -0.50 -1.23 0.00 0.00 177.57 176.26 1ir1 h TRP 385 N 0.18 0.00 0.00 5.19 4.06 -1.96 -2.47 115.95 120.95 1ir1 h TRP 385 Ca 0.76 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.71 1ir1 h TRP 385 Cb 2.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.35 1ir1 h TRP 385 CO -0.01 0.00 -0.36 0.72 -3.56 0.00 0.00 178.44 175.24 1ir1 n HIS 386 N -2.60 0.12 -0.19 0.49 8.25 0.55 -4.40 115.22 117.44 1ir1 n HIS 386 Ca 0.02 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1ir1 n HIS 386 Cb 0.27 -0.40 0.10 0.00 1.12 0.00 0.00 29.99 31.07 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 0.16 -0.33 -0.41 -1.53 -1.48 -0.88 114.93 110.46 1ir1 h MET 387 Ca 0.00 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.26 1ir1 h MET 387 Cb 0.54 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.54 1ir1 h MET 387 CO 0.00 0.11 0.19 -1.35 0.14 0.00 0.00 176.91 176.00 1ir1 h PRO 388 N 0.16 0.38 -0.74 0.39 0.11 -1.81 -1.36 132.00 129.14 1ir1 h PRO 388 Ca 0.31 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 1ir1 h PRO 388 Cb 0.49 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1ir1 h PRO 388 CO -0.47 0.25 0.25 0.00 -0.21 0.00 0.00 178.00 177.82 1ir1 h ALA 389 N 1.15 0.97 -0.44 -0.75 0.00 -1.73 -1.48 119.26 116.98 1ir1 h ALA 389 Ca 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ir1 h ALA 389 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ir1 h ALA 389 CO -0.06 0.63 0.07 -0.07 0.00 0.00 0.00 179.25 179.82 1ir1 h LEU 390 N 1.09 0.70 -0.93 0.00 3.38 -0.99 -0.92 115.31 117.64 1ir1 h LEU 390 Ca 0.24 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1ir1 h LEU 390 Cb 0.28 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1ir1 h LEU 390 CO -0.01 0.78 0.17 0.74 0.09 0.00 0.00 178.44 180.21 1ir1 h THR 391 N 0.58 1.24 -0.25 0.22 2.02 -1.08 -1.38 112.91 114.26 1ir1 h THR 391 Ca 0.13 -0.85 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 1ir1 h THR 391 Cb 0.38 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1ir1 h THR 391 CO 0.01 0.33 -0.32 -0.08 0.37 0.00 0.00 175.52 175.83 1ir1 h GLU 392 N 0.92 0.66 0.14 6.66 4.22 -1.09 -1.43 114.58 124.67 1ir1 h GLU 392 Ca 0.20 -0.37 -0.01 0.00 0.08 0.00 0.00 59.36 59.26 1ir1 h GLU 392 Cb 0.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ir1 h GLU 392 CO -0.00 0.99 -0.07 0.82 -2.18 0.00 0.00 179.01 178.56 1ir1 h ILE 393 N 0.38 1.01 0.00 2.32 2.04 -1.02 -3.37 117.51 118.88 1ir1 h ILE 393 Ca 0.03 -0.91 -0.15 0.00 1.00 0.00 0.00 64.86 64.84 1ir1 h ILE 393 Cb 0.89 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1ir1 h ILE 393 CO 0.08 0.21 -1.31 -0.26 0.00 0.00 0.00 178.15 176.86 1ir1 h PHE 394 N -0.64 0.00 -0.30 1.37 0.04 -1.37 -3.50 116.94 112.54 1ir1 h PHE 394 Ca -0.02 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1ir1 h PHE 394 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1ir1 h PHE 394 CO 0.06 0.53 -0.01 0.41 -0.60 0.00 0.00 178.31 178.70 1ir1 n GLY 395 N 1.37 -2.00 0.32 -1.45 0.00 -0.54 -4.35 105.19 98.55 1ir1 n GLY 395 Ca -0.08 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.03 0.95 -1.20 1.61 3.32 -1.90 -3.37 116.42 115.79 1ir1 h ASP 396 Ca 0.00 -0.16 -0.69 0.00 0.02 0.00 0.00 57.03 56.20 1ir1 h ASP 396 Cb 0.03 -0.25 -0.11 0.00 0.22 0.00 0.00 39.33 39.23 1ir1 h ASP 396 CO 0.00 0.88 1.97 -1.81 -1.72 0.00 0.00 179.24 178.56 1ir1 s ASP 397 N -6.47 6.89 0.18 6.45 1.01 -1.26 -3.07 116.67 120.40 1ir1 s ASP 397 Ca -0.11 -2.57 -0.24 0.00 0.71 0.00 0.00 52.55 50.34 1ir1 s ASP 397 Cb 0.16 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.61 1ir1 s ASP 397 CO 0.82 -1.07 0.87 -0.94 0.21 0.00 0.00 175.17 175.06 1ir1 s SER 398 N 3.89 -0.23 -0.11 0.27 1.04 -1.26 -4.33 113.70 112.96 1ir1 s SER 398 Ca 0.51 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.53 1ir1 s SER 398 Cb 0.02 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1ir1 s SER 398 CO 0.06 -1.02 -0.12 -0.69 0.98 0.00 0.00 173.24 172.45 1ir1 s VAL 399 N -3.48 1.31 -0.21 5.02 1.01 -0.51 -0.69 120.40 122.84 1ir1 s VAL 399 Ca 0.11 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1ir1 s VAL 399 Cb -0.03 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1ir1 s VAL 399 CO 0.02 0.41 0.04 -0.76 0.00 0.00 0.00 175.10 174.81 1ir1 s LEU 400 N 1.25 3.47 -0.10 3.92 1.43 -0.14 -0.30 118.68 128.21 1ir1 s LEU 400 Ca -0.02 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1ir1 s LEU 400 Cb -0.14 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1ir1 s LEU 400 CO -0.05 0.05 -0.17 -1.10 0.23 0.00 0.00 176.35 175.32 1ir1 s GLN 401 N 1.09 3.03 -0.35 1.70 -0.21 -0.05 -0.64 119.66 124.22 1ir1 s GLN 401 Ca 0.03 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.69 1ir1 s GLN 401 Cb -0.14 -2.46 0.11 0.00 1.00 0.00 0.00 33.01 31.51 1ir1 s GLN 401 CO 0.03 0.32 0.10 -0.06 -2.12 0.00 0.00 175.29 173.56 1ir1 s PHE 402 N 0.04 2.83 0.00 0.91 0.40 -0.48 -4.20 117.98 117.48 1ir1 s PHE 402 Ca -0.06 -2.52 0.00 0.00 -0.60 0.00 0.00 56.93 53.75 1ir1 s PHE 402 Cb -0.15 -2.40 0.00 0.00 0.51 0.00 0.00 43.02 40.99 1ir1 s PHE 402 CO 0.05 -0.89 0.00 0.41 0.70 0.00 0.00 175.22 175.49 1ir1 n GLY 403 N 4.30 1.13 0.26 4.36 0.00 -1.26 -3.31 105.19 110.67 1ir1 n GLY 403 Ca 0.02 0.00 0.11 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 0.00 1.67 -0.02 0.00 -1.92 -0.74 103.07 102.06 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 -1.11 -0.79 0.86 4.60 0.00 -1.26 -0.61 105.19 106.88 1ir1 n GLY 405 Ca -0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.34 0.41 1.28 2.61 -1.04 -0.40 -4.66 114.28 111.14 1ir1 n THR 406 Ca 0.06 -0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.19 1ir1 n THR 406 Cb 0.12 -1.59 0.66 0.00 -1.82 0.00 0.00 70.33 67.70 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 -3.28 0.00 -1.03 -4.42 4.32 -0.51 -2.67 117.00 109.41 1ir1 n LEU 407 Ca -0.08 0.21 0.12 0.00 -0.02 0.00 0.00 56.01 56.24 1ir1 n LEU 407 Cb 0.50 -0.21 0.17 0.00 -1.62 0.00 0.00 43.42 42.26 1ir1 n LEU 407 CO 0.01 -0.04 0.67 0.61 -1.22 0.00 0.00 177.39 177.42 1ir1 n GLY 408 N 0.75 1.27 3.75 -0.72 0.00 0.22 -4.91 105.19 105.55 1ir1 n GLY 408 Ca 0.14 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.78 3.32 0.64 1.61 5.04 -1.09 -4.93 115.29 118.10 1ir1 s HIS 409 Ca 0.33 1.38 0.35 0.00 -1.54 0.00 0.00 55.06 55.58 1ir1 s HIS 409 Cb 0.21 -3.52 1.98 0.00 0.04 0.00 0.00 32.58 31.30 1ir1 s HIS 409 CO 0.31 -1.48 2.20 -1.00 -2.34 0.00 0.00 174.74 172.42 1ir1 h PRO 410 N 4.80 0.00 -0.09 2.88 0.13 -1.92 -2.53 132.00 135.28 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 -3.36 0.09 0.00 1.56 8.01 -1.26 -5.09 117.44 117.39 1ir1 n TRP 411 Ca -0.02 -0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 1ir1 n TRP 411 Cb 0.20 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.50 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 1.24 -1.43 0.06 6.99 0.00 -0.95 -4.67 105.19 106.42 1ir1 n GLY 412 Ca 0.14 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 0.06 0.16 1.61 4.21 -1.87 -1.48 115.58 118.27 1ir1 h ASN 413 Ca 0.00 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 1ir1 h ASN 413 Cb 0.00 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 1ir1 h ASN 413 CO 0.00 0.12 -0.08 0.00 -1.29 0.00 0.00 177.43 176.18 1ir1 h ALA 414 N 0.95 -0.21 -0.12 -0.83 0.00 -1.82 0.65 119.26 117.87 1ir1 h ALA 414 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ir1 h ALA 414 Cb 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ir1 h ALA 414 CO -0.00 -0.62 -0.07 -1.35 0.00 0.00 0.00 179.25 177.21 1ir1 h PRO 415 N -0.21 0.18 -0.52 0.00 0.11 -1.83 -0.61 132.00 129.12 1ir1 h PRO 415 Ca -0.02 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 1ir1 h PRO 415 Cb 0.16 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1ir1 h PRO 415 CO 0.04 0.26 -0.13 0.78 -0.21 0.00 0.00 178.00 178.74 1ir1 h GLY 416 N 0.54 1.07 0.95 -0.55 0.00 -0.73 -1.83 103.07 102.52 1ir1 h GLY 416 Ca 0.04 -0.87 -0.08 0.00 0.00 0.00 0.00 47.33 46.42 1ir1 h GLY 416 CO 0.01 0.80 -0.08 0.00 0.00 0.00 0.00 176.54 177.27 1ir1 h ALA 417 N 0.97 0.50 -0.44 3.60 0.00 -0.11 -2.93 119.26 120.85 1ir1 h ALA 417 Ca 0.13 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ir1 h ALA 417 Cb 0.69 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1ir1 h ALA 417 CO 0.05 0.35 0.22 0.28 0.00 0.00 0.00 179.25 180.15 1ir1 h VAL 418 N 0.50 0.97 -0.85 0.00 2.07 -0.74 -0.82 116.25 117.38 1ir1 h VAL 418 Ca 0.09 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1ir1 h VAL 418 Cb 0.59 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1ir1 h VAL 418 CO 0.03 0.08 0.50 0.00 0.02 0.00 0.00 177.57 178.21 1ir1 h ALA 419 N 1.23 1.20 -0.18 1.67 0.00 -1.25 0.15 119.26 122.09 1ir1 h ALA 419 Ca 0.19 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 1ir1 h ALA 419 Cb 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ir1 h ALA 419 CO -0.13 0.17 -0.62 -0.91 0.00 0.00 0.00 179.25 177.76 1ir1 h ASN 420 N 0.87 0.85 -0.37 0.00 2.35 -1.27 -1.59 115.58 116.42 1ir1 h ASN 420 Ca 0.40 -0.60 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1ir1 h ASN 420 Cb 0.31 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1ir1 h ASN 420 CO -0.22 1.30 0.15 -0.09 -1.65 0.00 0.00 177.43 176.92 1ir1 h ARG 421 N 0.44 0.55 -0.21 0.81 9.65 -0.71 -1.10 114.38 123.80 1ir1 h ARG 421 Ca -0.03 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1ir1 h ARG 421 Cb 1.24 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1ir1 h ARG 421 CO 0.13 0.52 0.10 0.28 2.80 0.00 0.00 179.97 183.80 1ir1 h VAL 422 N 0.45 1.14 -0.77 0.20 2.07 -0.75 -1.47 116.25 117.12 1ir1 h VAL 422 Ca 0.12 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.29 1ir1 h VAL 422 Cb 0.18 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1ir1 h VAL 422 CO -0.01 0.14 0.46 0.00 0.02 0.00 0.00 177.57 178.17 1ir1 h ALA 423 N 0.96 1.05 0.15 1.67 0.00 -1.14 -0.68 119.26 121.27 1ir1 h ALA 423 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ir1 h ALA 423 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ir1 h ALA 423 CO -0.01 0.16 -0.07 1.25 0.00 0.00 0.00 179.25 180.58 1ir1 h LEU 424 N 0.83 -0.17 -1.46 0.00 5.85 -0.97 -2.61 115.31 116.77 1ir1 h LEU 424 Ca 0.34 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1ir1 h LEU 424 Cb 0.19 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1ir1 h LEU 424 CO -0.18 0.08 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.58 1ir1 h GLU 425 N -0.43 0.25 -0.74 1.25 5.08 -1.06 -0.78 114.58 118.14 1ir1 h GLU 425 Ca -0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1ir1 h GLU 425 Cb 0.34 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1ir1 h GLU 425 CO 0.03 0.35 0.26 0.00 -1.00 0.00 0.00 179.01 178.65 1ir1 h ALA 426 N 1.68 1.05 -0.29 3.43 0.00 -1.04 0.25 119.26 124.34 1ir1 h ALA 426 Ca 0.05 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1ir1 h ALA 426 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ir1 h ALA 426 CO 0.02 0.65 -0.25 0.00 0.00 0.00 0.00 179.25 179.67 1ir1 h VAL 428 N 0.43 1.17 -0.20 0.00 2.07 -0.87 -0.10 116.25 118.75 1ir1 h VAL 428 Ca 0.05 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1ir1 h VAL 428 Cb 0.81 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1ir1 h VAL 428 CO 0.06 0.18 0.10 -0.61 0.02 0.00 0.00 177.57 177.32 1ir1 h GLN 429 N 0.67 0.29 -0.70 1.57 4.15 -0.92 -0.88 115.11 119.28 1ir1 h GLN 429 Ca 0.18 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1ir1 h GLN 429 Cb 0.03 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1ir1 h GLN 429 CO -0.03 0.31 0.45 0.00 -1.93 0.00 0.00 178.83 177.63 1ir1 h ALA 430 N 0.96 0.89 -0.05 3.38 0.00 -1.11 -1.33 119.26 122.01 1ir1 h ALA 430 Ca 0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ir1 h ALA 430 Cb 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ir1 h ALA 430 CO -0.01 0.34 0.02 -0.09 0.00 0.00 0.00 179.25 179.51 1ir1 h ARG 431 N 0.96 0.07 -0.31 0.00 2.43 -0.86 -1.22 114.38 115.45 1ir1 h ARG 431 Ca 0.26 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1ir1 h ARG 431 Cb -0.08 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1ir1 h ARG 431 CO -0.05 0.17 0.22 -0.91 -1.51 0.00 0.00 179.97 177.88 1ir1 h ASN 432 N -0.04 0.16 0.74 -3.80 4.21 -0.86 0.20 115.58 116.19 1ir1 h ASN 432 Ca 0.02 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1ir1 h ASN 432 Cb 0.12 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1ir1 h ASN 432 CO -0.00 0.11 0.00 -0.62 -1.29 0.00 0.00 177.43 175.62 1ir1 n GLU 433 N -4.48 0.26 0.00 0.81 1.02 -0.53 -4.91 120.64 112.81 1ir1 n GLU 433 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1ir1 n GLU 433 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.36 0.88 3.82 0.62 0.00 0.06 -5.09 105.19 106.84 1ir1 n GLY 434 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.81 3.96 -0.52 1.61 0.52 -0.49 -5.01 118.95 118.21 1ir1 s ARG 435 Ca 0.00 1.16 -0.23 0.00 -0.52 0.00 0.00 55.73 56.14 1ir1 s ARG 435 Cb 0.00 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.38 1ir1 s ARG 435 CO 0.00 -0.27 0.86 0.34 0.02 0.00 0.00 175.30 176.25 1ir1 s ASP 436 N -2.36 6.33 0.36 0.23 -1.08 -1.26 -4.44 116.67 114.45 1ir1 s ASP 436 Ca 0.63 -0.40 0.03 0.00 -0.52 0.00 0.00 52.55 52.29 1ir1 s ASP 436 Cb -0.12 -2.40 0.66 0.00 -1.46 0.00 0.00 42.92 39.60 1ir1 s ASP 436 CO 0.21 -1.12 2.02 -0.07 0.52 0.00 0.00 175.17 176.73 1ir1 h LEU 437 N 10.61 0.70 -0.49 -1.34 4.07 -1.92 0.42 115.31 127.36 1ir1 h LEU 437 Ca -0.26 -0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.59 1ir1 h LEU 437 Cb 1.08 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 1ir1 h LEU 437 CO 1.04 0.51 -0.05 0.00 -1.08 0.00 0.00 178.44 178.86 1ir1 h ALA 438 N 1.62 0.67 0.10 1.53 0.00 -1.91 -0.33 119.26 120.93 1ir1 h ALA 438 Ca 0.22 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 1ir1 h ALA 438 Cb -0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ir1 h ALA 438 CO -0.05 0.53 -1.84 -0.09 0.00 0.00 0.00 179.25 177.79 1ir1 h ARG 439 N 0.76 0.21 -0.37 0.00 9.65 -1.92 -3.39 114.38 119.33 1ir1 h ARG 439 Ca 0.13 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 1ir1 h ARG 439 Cb 0.59 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1ir1 h ARG 439 CO 0.04 1.04 0.00 0.39 2.80 0.00 0.00 179.97 184.23 1ir1 n GLU 440 N -3.38 2.40 -0.29 0.20 1.02 0.15 -4.73 120.64 116.01 1ir1 n GLU 440 Ca -0.26 -2.21 -0.11 0.00 -0.02 0.00 0.00 57.16 54.57 1ir1 n GLU 440 Cb 1.05 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.91 1ir1 n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1ir1 h GLY 441 N 4.12 -0.80 0.85 0.62 0.00 -1.17 -1.07 103.07 105.62 1ir1 h GLY 441 Ca 0.00 0.73 0.04 0.00 0.00 0.00 0.00 47.33 48.10 1ir1 h GLY 441 CO 0.00 -0.05 0.58 3.43 0.00 0.00 0.00 176.54 180.50 1ir1 h ASN 442 N -0.17 0.96 -0.09 0.19 4.21 -1.84 -2.37 115.58 116.46 1ir1 h ASN 442 Ca 0.14 -0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.54 1ir1 h ASN 442 Cb 0.51 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1ir1 h ASN 442 CO -0.79 0.65 -0.29 0.71 -1.29 0.00 0.00 177.43 176.41 1ir1 h THR 443 N 1.11 1.28 -0.64 2.81 1.35 -1.75 -1.78 112.91 115.29 1ir1 h THR 443 Ca 0.36 -1.38 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 1ir1 h THR 443 Cb 0.04 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.81 1ir1 h THR 443 CO -0.13 0.44 0.32 0.40 -0.25 0.00 0.00 175.52 176.30 1ir1 h ILE 444 N 0.49 1.22 -0.35 6.82 2.04 -0.72 -0.45 117.51 126.55 1ir1 h ILE 444 Ca 0.06 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 1ir1 h ILE 444 Cb 0.75 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1ir1 h ILE 444 CO 0.06 0.25 -0.07 0.40 0.00 0.00 0.00 178.15 178.79 1ir1 h ILE 445 N 0.88 1.27 -0.71 -0.67 1.08 -1.28 -2.90 117.51 115.17 1ir1 h ILE 445 Ca 0.22 -1.11 0.02 0.00 -0.39 0.00 0.00 64.86 63.60 1ir1 h ILE 445 Cb 0.10 1.29 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 1ir1 h ILE 445 CO -0.03 0.36 0.46 0.03 -0.69 0.00 0.00 178.15 178.28 1ir1 h ARG 446 N 0.45 0.88 -0.97 2.37 3.08 -1.03 -2.12 114.38 117.04 1ir1 h ARG 446 Ca 0.09 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1ir1 h ARG 446 Cb 0.56 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 1ir1 h ARG 446 CO 0.03 0.58 0.63 0.93 -1.07 0.00 0.00 179.97 181.07 1ir1 h GLU 447 N 0.91 1.13 0.00 0.04 5.08 -0.99 -2.18 114.58 118.57 1ir1 h GLU 447 Ca 0.28 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1ir1 h GLU 447 Cb -0.03 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1ir1 h GLU 447 CO -0.09 0.75 -0.54 0.00 -1.00 0.00 0.00 179.01 178.13 1ir1 h ALA 448 N 1.46 1.11 0.00 3.43 0.00 -1.20 -2.93 119.26 121.12 1ir1 h ALA 448 Ca 0.40 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ir1 h ALA 448 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ir1 h ALA 448 CO -0.14 0.67 0.00 1.79 0.00 0.00 0.00 179.25 181.57 1ir1 h THR 449 N 0.00 0.00 -0.28 0.00 1.35 -0.85 -2.03 112.91 111.10 1ir1 h THR 449 Ca -0.01 -0.22 -0.09 0.00 -0.55 0.00 0.00 66.41 65.55 1ir1 h THR 449 Cb 0.96 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1ir1 h THR 449 CO 0.07 0.00 -0.20 0.11 -0.25 0.00 0.00 175.52 175.25 1ir1 h LYS 450 N 0.00 0.50 -0.01 4.72 1.79 -1.52 -3.25 116.57 118.80 1ir1 h LYS 450 Ca 0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1ir1 h LYS 450 Cb 0.25 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1ir1 h LYS 450 CO 0.00 0.68 -0.27 -2.67 -1.08 0.00 0.00 179.45 176.11 1ir1 n TRP 451 N -4.15 0.00 -4.00 -1.35 4.27 -1.03 -4.88 117.44 106.30 1ir1 n TRP 451 Ca 0.00 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.30 1ir1 n TRP 451 Cb 0.37 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.18 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 -1.51 4.63 0.50 -0.67 0.15 -0.79 -4.96 113.70 111.05 1ir1 s SER 452 Ca 0.08 -2.37 0.19 0.00 0.70 0.00 0.00 55.95 54.55 1ir1 s SER 452 Cb 0.08 -1.62 1.25 0.00 -1.71 0.00 0.00 66.02 64.03 1ir1 s SER 452 CO 0.29 -0.34 2.08 1.55 1.20 0.00 0.00 173.24 178.02 1ir1 h PRO 453 N 7.33 0.00 -0.47 5.44 0.13 -1.89 -1.55 132.00 140.99 1ir1 h PRO 453 Ca -0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 1ir1 h PRO 453 Cb 0.99 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1ir1 h PRO 453 CO 0.56 0.11 0.14 0.93 -0.23 0.00 0.00 178.00 179.51 1ir1 h GLU 454 N 0.00 0.74 -0.34 0.86 3.07 -1.93 -1.54 114.58 115.44 1ir1 h GLU 454 Ca -0.00 -0.16 -0.16 0.00 -0.50 0.00 0.00 59.36 58.54 1ir1 h GLU 454 Cb 0.21 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1ir1 h GLU 454 CO 0.01 0.71 -0.42 1.25 -1.40 0.00 0.00 179.01 179.17 1ir1 h LEU 455 N 0.63 0.91 -0.70 1.33 5.85 -1.75 -2.80 115.31 118.77 1ir1 h LEU 455 Ca 0.15 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1ir1 h LEU 455 Cb 0.28 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1ir1 h LEU 455 CO -0.00 1.20 0.46 0.00 -0.34 0.00 0.00 178.44 179.76 1ir1 h ALA 456 N 0.83 0.89 -0.79 1.25 0.00 -1.12 -0.19 119.26 120.14 1ir1 h ALA 456 Ca 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ir1 h ALA 456 Cb 0.99 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1ir1 h ALA 456 CO 0.10 0.32 0.34 0.00 0.00 0.00 0.00 179.25 180.00 1ir1 h ALA 457 N 1.25 1.11 -0.20 0.00 0.00 -1.22 -2.50 119.26 117.70 1ir1 h ALA 457 Ca 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ir1 h ALA 457 Cb -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1ir1 h ALA 457 CO -0.05 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.76 1ir1 h ALA 458 N 1.23 0.28 -0.82 0.00 0.00 -1.13 -3.11 119.26 115.71 1ir1 h ALA 458 Ca 0.27 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ir1 h ALA 458 Cb 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1ir1 h ALA 458 CO -0.03 0.10 0.54 0.00 0.00 0.00 0.00 179.25 179.86 1ir1 h GLU 460 N 0.93 0.97 -0.29 0.00 4.81 -1.41 -1.83 114.58 117.76 1ir1 h GLU 460 Ca 0.34 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1ir1 h GLU 460 Cb 0.16 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1ir1 h GLU 460 CO -0.12 0.75 -0.28 0.28 -0.73 0.00 0.00 179.01 178.92 1ir1 h VAL 461 N 0.94 1.30 -0.44 0.32 2.07 -1.39 -3.34 116.25 115.71 1ir1 h VAL 461 Ca 0.24 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1ir1 h VAL 461 Cb 0.09 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1ir1 h VAL 461 CO -0.03 0.46 0.00 0.79 0.02 0.00 0.00 177.57 178.81 1ir1 n TRP 462 N -4.27 1.00 -0.29 1.57 8.01 -1.09 -4.73 117.44 117.64 1ir1 n TRP 462 Ca -0.04 -0.65 0.11 0.00 -1.31 0.00 0.00 57.50 55.61 1ir1 n TRP 462 Cb 0.47 -0.19 0.26 0.00 -2.01 0.00 0.00 31.31 29.84 1ir1 n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 1ir1 h LYS 463 N 2.78 0.21 -0.13 -0.99 3.64 -1.45 -2.09 116.57 118.53 1ir1 h LYS 463 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ir1 h LYS 463 Cb 1.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1ir1 h LYS 463 CO 0.15 0.14 0.00 0.39 -2.27 0.00 0.00 179.45 177.86 1ir1 n GLU 464 N -5.22 2.05 -2.85 1.90 -0.58 -1.26 -4.93 120.64 109.75 1ir1 n GLU 464 Ca 0.19 -1.55 -0.42 0.00 -0.42 0.00 0.00 57.16 54.96 1ir1 n GLU 464 Cb 0.62 -1.46 -0.04 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 -1.85 4.64 0.06 -3.67 -1.09 -0.79 -5.03 121.20 113.47 1ir1 s ILE 465 Ca 0.34 1.15 -0.00 0.00 -2.23 0.00 0.00 60.65 59.90 1ir1 s ILE 465 Cb 0.20 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1ir1 s ILE 465 CO 0.30 -0.48 -0.04 -0.54 -1.23 0.00 0.00 174.94 172.95 1ir1 s LYS 466 N 3.35 0.64 -0.39 2.79 1.02 -1.26 -5.04 119.74 120.84 1ir1 s LYS 466 Ca 0.36 -1.18 0.03 0.00 0.02 0.00 0.00 55.97 55.21 1ir1 s LYS 466 Cb -0.12 0.07 0.11 0.00 -0.52 0.00 0.00 37.83 37.37 1ir1 s LYS 466 CO 0.17 -0.07 0.13 -0.06 -0.92 0.00 0.00 175.35 174.60 1ir1 s PHE 467 N -3.51 3.01 -0.27 3.18 0.08 -1.26 -5.07 117.98 114.14 1ir1 s PHE 467 Ca 0.05 -2.73 0.01 0.00 0.12 0.00 0.00 56.93 54.39 1ir1 s PHE 467 Cb 0.05 -2.54 0.07 0.00 -0.57 0.00 0.00 43.02 40.03 1ir1 s PHE 467 CO -0.07 -0.87 -0.02 -1.21 -0.10 0.00 0.00 175.22 172.95 1ir1 s GLU 468 N 0.69 1.51 0.05 0.44 2.02 -1.26 -4.81 118.70 117.35 1ir1 s GLU 468 Ca 0.13 -1.18 -0.01 0.00 0.02 0.00 0.00 54.97 53.93 1ir1 s GLU 468 Cb -0.21 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 1ir1 s GLU 468 CO -0.08 -0.71 -0.03 -0.06 0.02 0.00 0.00 175.26 174.39 1ir1 s PHE 469 N 1.32 0.55 0.29 1.61 0.08 -1.26 -5.14 117.98 115.43 1ir1 s PHE 469 Ca -0.01 -1.04 -0.29 0.00 0.12 0.00 0.00 56.93 55.71 1ir1 s PHE 469 Cb -0.19 -0.40 -0.10 0.00 -0.57 0.00 0.00 43.02 41.77 1ir1 s PHE 469 CO -0.09 -0.35 1.26 -2.14 -0.10 0.00 0.00 175.22 173.80 1ir1 s PRO 470 N -3.84 4.43 0.20 0.24 0.02 -1.26 -5.01 135.00 129.79 1ir1 s PRO 470 Ca 0.07 2.09 -0.16 0.00 0.02 0.00 0.00 61.00 63.02 1ir1 s PRO 470 Cb 0.07 -3.12 -0.08 0.00 0.02 0.00 0.00 34.50 31.39 1ir1 s PRO 470 CO -0.09 -0.11 0.65 0.00 -0.33 0.00 0.00 177.00 177.12 1ir1 s ALA 471 N -0.91 3.48 -0.17 -1.55 0.00 -1.26 -5.00 121.76 116.36 1ir1 s ALA 471 Ca 0.49 0.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.30 1ir1 s ALA 471 Cb -0.37 -2.67 -0.23 0.00 0.00 0.00 0.00 23.12 19.85 1ir1 s ALA 471 CO 0.47 0.39 0.32 0.52 0.00 0.00 0.00 175.76 177.46 1ir1 h MET 472 N 3.28 0.12 -6.23 0.00 2.86 -1.95 -3.43 114.93 109.58 1ir1 h MET 472 Ca -0.48 -0.20 -0.57 0.00 -2.06 0.00 0.00 59.70 56.39 1ir1 h MET 472 Cb 1.19 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.83 1ir1 h MET 472 CO 0.66 1.10 1.29 0.34 1.06 0.00 0.00 176.91 181.35 1ir1 s ASP 473 N -6.93 6.34 0.07 1.22 2.15 -1.22 -4.32 116.67 113.98 1ir1 s ASP 473 Ca -0.25 -0.98 0.08 0.00 0.43 0.00 0.00 52.55 51.83 1ir1 s ASP 473 Cb 0.06 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1ir1 s ASP 473 CO 0.67 -1.67 -0.20 -0.89 -0.17 0.00 0.00 175.17 172.91 1ir1 s THR 474 N 5.35 1.66 -1.69 1.71 2.01 -1.26 -4.65 115.64 118.76 1ir1 s THR 474 Ca 0.41 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1ir1 s THR 474 Cb -0.04 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.99 1ir1 s THR 474 CO 0.02 0.05 0.42 0.55 -0.69 0.00 0.00 174.62 174.97