#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j49 n THR 2 N 0.00 -5.60 -3.87 3.17 -1.04 -1.26 -4.39 114.28 101.29 1j49 n THR 2 Ca 0.00 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.05 61.58 1j49 n THR 2 Cb 0.00 -5.23 -0.13 0.00 -1.82 0.00 0.00 70.33 63.15 1j49 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1j49 s LYS 3 N -2.91 2.45 -0.25 -2.82 2.20 -1.25 -0.06 119.74 117.10 1j49 s LYS 3 Ca 0.01 -1.27 -0.15 0.00 -0.36 0.00 0.00 55.97 54.20 1j49 s LYS 3 Cb -0.00 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1j49 s LYS 3 CO 0.37 -0.65 0.36 0.42 -0.36 0.00 0.00 175.35 175.49 1j49 s ILE 4 N 1.28 5.20 -0.17 5.43 1.01 0.78 0.59 121.20 135.31 1j49 s ILE 4 Ca -0.04 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.11 1j49 s ILE 4 Cb -0.20 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1j49 s ILE 4 CO -0.00 0.21 0.06 0.12 0.00 0.00 0.00 174.94 175.32 1j49 s PHE 5 N 1.74 3.25 -0.06 3.97 5.36 -0.24 -0.62 117.98 131.37 1j49 s PHE 5 Ca 0.15 0.09 0.05 0.00 -0.96 0.00 0.00 56.93 56.26 1j49 s PHE 5 Cb -0.15 -2.05 -0.02 0.00 -0.34 0.00 0.00 43.02 40.46 1j49 s PHE 5 CO 0.09 0.19 -0.20 0.00 -1.46 0.00 0.00 175.22 173.84 1j49 s ALA 6 N 0.22 2.38 0.16 11.12 0.00 0.36 -0.82 121.76 135.18 1j49 s ALA 6 Ca 0.04 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.04 1j49 s ALA 6 Cb -0.12 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1j49 s ALA 6 CO 0.00 0.44 0.14 0.71 0.00 0.00 0.00 175.76 177.06 1j49 s TYR 7 N -0.29 3.17 -1.56 0.00 1.51 -0.52 -0.43 117.35 119.22 1j49 s TYR 7 Ca 0.01 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.06 1j49 s TYR 7 Cb -0.13 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1j49 s TYR 7 CO 0.03 0.52 0.00 0.00 -1.11 0.00 0.00 175.55 174.99 1j49 n ALA 8 N -0.35 -0.54 -2.25 3.71 0.00 0.73 -4.23 120.51 117.59 1j49 n ALA 8 Ca -0.08 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1j49 n ALA 8 Cb 0.55 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 1j49 n ALA 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j49 s ILE 9 N -2.91 3.76 0.38 0.00 -1.09 -0.87 -4.91 121.20 115.56 1j49 s ILE 9 Ca 0.00 1.14 -0.04 0.00 -2.23 0.00 0.00 60.65 59.52 1j49 s ILE 9 Cb 0.00 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1j49 s ILE 9 CO 0.00 -0.00 0.64 -0.13 -1.23 0.00 0.00 174.94 174.22 1j49 s ARG 10 N 2.38 3.58 0.22 2.79 0.52 -1.26 -4.59 118.95 122.58 1j49 s ARG 10 Ca 0.63 0.01 -0.10 0.00 -0.52 0.00 0.00 55.73 55.75 1j49 s ARG 10 Cb -0.31 -2.54 0.32 0.00 0.52 0.00 0.00 34.95 32.94 1j49 s ARG 10 CO 0.26 0.04 1.65 0.93 0.02 0.00 0.00 175.30 178.21 1j49 h GLU 11 N 0.92 0.10 0.00 3.54 3.07 -2.02 0.16 114.58 120.35 1j49 h GLU 11 Ca -0.48 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1j49 h GLU 11 Cb 1.20 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1j49 h GLU 11 CO 0.63 0.07 0.00 -0.40 -1.40 0.00 0.00 179.01 177.91 1j49 n ASP 12 N -5.31 0.00 -0.05 1.42 5.68 -1.26 -2.61 116.55 114.42 1j49 n ASP 12 Ca 0.10 -0.33 -0.05 0.00 -0.50 0.00 0.00 54.79 54.01 1j49 n ASP 12 Cb 0.38 -0.13 -0.14 0.00 -1.14 0.00 0.00 41.12 40.08 1j49 n ASP 12 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1j49 n GLU 13 N -1.13 0.66 -0.26 0.11 1.02 0.55 -4.58 120.64 117.01 1j49 n GLU 13 Ca 0.12 0.07 0.07 0.00 -0.02 0.00 0.00 57.16 57.40 1j49 n GLU 13 Cb 0.11 -1.62 0.19 0.00 -0.02 0.00 0.00 31.44 30.10 1j49 n GLU 13 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1j49 h LYS 14 N 0.00 0.17 -0.61 3.49 1.57 -1.29 0.17 116.57 120.06 1j49 h LYS 14 Ca -0.36 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1j49 h LYS 14 Cb 1.94 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 34.17 1j49 h LYS 14 CO 0.04 0.11 0.41 -1.35 -0.57 0.00 0.00 179.45 178.09 1j49 h PRO 15 N 0.17 0.36 0.00 3.15 0.11 -1.81 0.67 132.00 134.66 1j49 h PRO 15 Ca 0.44 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.33 1j49 h PRO 15 Cb 0.80 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 1j49 h PRO 15 CO -0.62 0.24 -1.35 0.74 -0.21 0.00 0.00 178.00 176.81 1j49 h PHE 16 N 0.37 0.00 -0.01 0.65 0.04 -1.00 -2.88 116.94 114.12 1j49 h PHE 16 Ca 0.29 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.05 1j49 h PHE 16 Cb 0.62 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 1j49 h PHE 16 CO -0.00 0.73 -0.00 1.25 -0.60 0.00 0.00 178.31 179.69 1j49 h LEU 17 N 0.00 0.02 -0.42 1.54 5.85 -0.05 -0.34 115.31 121.91 1j49 h LEU 17 Ca -0.16 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.25 1j49 h LEU 17 Cb 1.70 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.66 1j49 h LEU 17 CO 0.07 0.39 0.03 0.11 -0.34 0.00 0.00 178.44 178.69 1j49 h LYS 18 N -0.35 0.13 -0.36 1.25 1.57 0.20 0.70 116.57 119.72 1j49 h LYS 18 Ca 0.00 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1j49 h LYS 18 Cb 0.38 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 1j49 h LYS 18 CO 0.00 0.09 -0.04 1.49 -0.57 0.00 0.00 179.45 180.42 1j49 h GLU 19 N 0.14 0.05 -0.43 3.15 4.81 -1.38 0.93 114.58 121.85 1j49 h GLU 19 Ca 0.21 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1j49 h GLU 19 Cb 0.28 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1j49 h GLU 19 CO -0.32 0.03 0.24 2.35 -0.73 0.00 0.00 179.01 180.59 1j49 h TRP 20 N 0.05 0.46 -0.86 0.92 7.01 0.73 -2.47 115.95 121.79 1j49 h TRP 20 Ca 0.17 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.26 1j49 h TRP 20 Cb 0.25 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.11 1j49 h TRP 20 CO -0.29 0.26 0.53 0.93 -2.79 0.00 0.00 178.44 177.08 1j49 h GLU 21 N 0.49 0.93 0.00 2.65 5.08 -0.04 -1.29 114.58 122.41 1j49 h GLU 21 Ca 0.18 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1j49 h GLU 21 Cb 0.04 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1j49 h GLU 21 CO -0.10 0.62 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.02 1j49 h ASP 22 N 0.96 0.00 -0.02 1.42 3.32 -0.50 0.66 116.42 122.26 1j49 h ASP 22 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1j49 h ASP 22 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1j49 h ASP 22 CO -0.18 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.41 1j49 n ALA 23 N -2.17 2.57 -2.84 3.45 0.00 -0.51 -4.34 120.51 116.67 1j49 n ALA 23 Ca -0.01 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 1j49 n ALA 23 Cb 0.26 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.61 1j49 n ALA 23 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j49 n HIS 24 N 0.23 -0.62 0.26 0.00 8.25 0.17 -4.97 115.22 118.55 1j49 n HIS 24 Ca 0.19 -2.81 0.17 0.00 -0.26 0.00 0.00 57.72 55.00 1j49 n HIS 24 Cb 0.37 0.38 0.88 0.00 1.12 0.00 0.00 29.99 32.73 1j49 n HIS 24 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1j49 h LYS 25 N 2.81 0.00 0.00 -0.41 1.57 -1.62 0.43 116.57 119.35 1j49 h LYS 25 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1j49 h LYS 25 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1j49 h LYS 25 CO 0.32 0.00 -0.17 0.38 -0.57 0.00 0.00 179.45 179.41 1j49 h ASP 26 N 0.00 0.00 -3.44 0.86 2.03 -1.93 -3.45 116.42 110.49 1j49 h ASP 26 Ca 0.00 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.76 1j49 h ASP 26 Cb 0.05 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.52 1j49 h ASP 26 CO 0.00 0.06 0.13 -0.69 -1.03 0.00 0.00 179.24 177.71 1j49 s VAL 27 N -3.20 4.57 -0.28 4.15 1.01 0.14 -4.88 120.40 121.91 1j49 s VAL 27 Ca 0.06 1.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.43 1j49 s VAL 27 Cb 0.06 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1j49 s VAL 27 CO 0.69 0.47 0.61 -0.70 0.00 0.00 0.00 175.10 176.17 1j49 s GLU 28 N -0.73 4.02 -0.16 2.72 2.56 0.91 -5.01 118.70 123.01 1j49 s GLU 28 Ca 0.35 0.41 0.01 0.00 0.00 0.00 0.00 54.97 55.75 1j49 s GLU 28 Cb -0.21 -3.68 0.01 0.00 2.00 0.00 0.00 34.13 32.25 1j49 s GLU 28 CO 0.24 -0.47 -0.20 0.08 -0.56 0.00 0.00 175.26 174.35 1j49 s VAL 29 N 2.51 2.11 0.21 3.70 1.01 -1.26 -0.16 120.40 128.52 1j49 s VAL 29 Ca 0.25 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1j49 s VAL 29 Cb -0.15 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1j49 s VAL 29 CO 0.10 0.54 -0.15 -1.61 0.00 0.00 0.00 175.10 173.98 1j49 s GLU 30 N 1.09 1.35 0.13 2.72 2.02 0.21 -4.98 118.70 121.23 1j49 s GLU 30 Ca -0.00 -1.59 -0.24 0.00 0.02 0.00 0.00 54.97 53.16 1j49 s GLU 30 Cb -0.14 -1.18 0.07 0.00 0.10 0.00 0.00 34.13 32.98 1j49 s GLU 30 CO -0.08 0.20 0.62 1.52 0.02 0.00 0.00 175.26 177.54 1j49 s TYR 31 N -2.88 -0.55 0.26 1.61 -0.85 -1.26 0.13 117.35 113.83 1j49 s TYR 31 Ca 0.22 0.43 0.06 0.00 -0.52 0.00 0.00 57.07 57.27 1j49 s TYR 31 Cb -0.01 0.54 -0.06 0.00 0.38 0.00 0.00 41.96 42.81 1j49 s TYR 31 CO 0.07 -0.81 -0.07 -0.08 -1.52 0.00 0.00 175.55 173.15 1j49 s THR 32 N -3.40 1.60 -0.31 -3.49 -1.32 0.43 -4.90 115.64 104.25 1j49 s THR 32 Ca -0.00 -2.13 0.23 0.00 -1.21 0.00 0.00 61.69 58.57 1j49 s THR 32 Cb -0.01 -2.38 0.10 0.00 -1.51 0.00 0.00 72.50 68.70 1j49 s THR 32 CO -0.10 -0.35 1.22 -2.24 -2.21 0.00 0.00 174.62 170.94 1j49 h ASP 33 N 2.34 0.00 -4.28 8.08 2.03 -1.87 -2.19 116.42 120.53 1j49 h ASP 33 Ca -0.39 -0.01 -0.52 0.00 -0.73 0.00 0.00 57.03 55.38 1j49 h ASP 33 Cb 1.23 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 39.88 1j49 h ASP 33 CO 0.66 0.00 0.30 -0.54 -1.03 0.00 0.00 179.24 178.63 1j49 s LYS 34 N -3.31 1.88 0.59 4.15 1.02 -1.26 -3.53 119.74 119.27 1j49 s LYS 34 Ca 0.02 1.38 -0.06 0.00 0.02 0.00 0.00 55.97 57.33 1j49 s LYS 34 Cb 0.08 -1.84 0.01 0.00 -0.52 0.00 0.00 37.83 35.57 1j49 s LYS 34 CO 0.75 -1.96 0.90 -0.51 -0.92 0.00 0.00 175.35 173.61 1j49 s LEU 35 N -5.98 3.23 -0.50 3.17 1.43 -1.26 -0.19 118.68 118.58 1j49 s LEU 35 Ca 0.65 0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 54.14 1j49 s LEU 35 Cb -0.21 -3.49 0.03 0.00 0.03 0.00 0.00 46.19 42.56 1j49 s LEU 35 CO 0.54 -1.08 1.08 -0.22 0.23 0.00 0.00 176.35 176.90 1j49 s LEU 36 N -4.98 3.73 0.15 1.79 2.96 -1.26 -4.77 118.68 116.29 1j49 s LEU 36 Ca 0.54 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.73 1j49 s LEU 36 Cb -0.11 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 1j49 s LEU 36 CO 0.45 -1.25 -0.14 0.42 -1.32 0.00 0.00 176.35 174.51 1j49 s THR 37 N 4.34 1.42 0.64 3.68 -4.23 -1.26 -4.95 115.64 115.29 1j49 s THR 37 Ca 0.42 -1.91 0.20 0.00 -1.18 0.00 0.00 61.69 59.23 1j49 s THR 37 Cb -0.08 -1.73 0.20 0.00 1.34 0.00 0.00 72.50 72.23 1j49 s THR 37 CO 0.28 -0.51 1.61 -0.65 -0.54 0.00 0.00 174.62 174.80 1j49 h PRO 38 N 3.15 0.00 0.00 3.99 0.11 -1.86 2.48 132.00 139.87 1j49 h PRO 38 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1j49 h PRO 38 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1j49 h PRO 38 CO 0.56 0.00 -1.40 -0.85 -0.21 0.00 0.00 178.00 176.09 1j49 n GLU 39 N -2.73 0.42 0.02 1.05 0.28 -1.26 -4.18 120.64 114.24 1j49 n GLU 39 Ca -0.01 -0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.03 1j49 n GLU 39 Cb 0.57 -1.58 0.01 0.00 1.43 0.00 0.00 31.44 31.87 1j49 n GLU 39 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1j49 n THR 40 N -2.09 0.13 -0.14 3.84 -2.24 0.82 -4.21 114.28 110.40 1j49 n THR 40 Ca -0.00 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 1j49 n THR 40 Cb 0.48 0.29 0.05 0.00 -2.10 0.00 0.00 70.33 69.05 1j49 n THR 40 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1j49 h VAL 41 N 0.00 0.78 -0.50 2.28 2.07 -1.31 -0.22 116.25 119.35 1j49 h VAL 41 Ca 0.00 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.58 1j49 h VAL 41 Cb 0.71 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1j49 h VAL 41 CO 0.00 0.05 0.93 0.00 0.02 0.00 0.00 177.57 178.56 1j49 h ALA 42 N 1.33 2.34 -0.01 1.67 0.00 -1.83 1.66 119.26 124.43 1j49 h ALA 42 Ca 0.22 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1j49 h ALA 42 Cb 0.26 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1j49 h ALA 42 CO -0.27 -1.18 -0.63 -0.07 0.00 0.00 0.00 179.25 177.10 1j49 h LEU 43 N 0.00 0.03 -1.40 0.00 3.38 -1.30 -2.94 115.31 113.07 1j49 h LEU 43 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1j49 h LEU 43 Cb 2.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.83 1j49 h LEU 43 CO -0.00 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.18 1j49 n ALA 44 N -2.43 2.48 -2.09 1.53 0.00 0.56 -4.88 120.51 115.69 1j49 n ALA 44 Ca -0.01 -0.66 -0.43 0.00 0.00 0.00 0.00 53.44 52.34 1j49 n ALA 44 Cb 0.62 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1j49 n ALA 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1j49 s LYS 45 N -1.53 3.99 0.00 0.00 2.20 -1.11 -1.39 119.74 121.90 1j49 s LYS 45 Ca 0.25 1.89 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1j49 s LYS 45 Cb 0.13 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1j49 s LYS 45 CO 0.16 -1.06 0.00 0.41 -0.36 0.00 0.00 175.35 174.50 1j49 n GLY 46 N 4.35 2.65 3.70 5.54 0.00 -1.26 -5.10 105.19 115.07 1j49 n GLY 46 Ca 0.18 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1j49 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j49 s ALA 47 N -0.20 1.73 -1.12 4.61 0.00 -0.48 -4.75 121.76 121.54 1j49 s ALA 47 Ca 0.00 0.60 0.22 0.00 0.00 0.00 0.00 51.96 52.78 1j49 s ALA 47 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1j49 s ALA 47 CO 0.00 -2.43 1.03 -0.25 0.00 0.00 0.00 175.76 174.11 1j49 n ASP 48 N -3.82 1.01 -3.62 0.00 8.00 0.20 -4.74 116.55 113.58 1j49 n ASP 48 Ca 0.12 -0.91 -0.04 0.00 0.71 0.00 0.00 54.79 54.68 1j49 n ASP 48 Cb 0.52 0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 42.38 1j49 n ASP 48 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1j49 s GLY 49 N -2.94 -0.20 0.00 0.44 0.00 -1.23 -4.57 107.32 98.83 1j49 s GLY 49 Ca 0.10 1.93 0.06 0.00 0.00 0.00 0.00 44.72 46.81 1j49 s GLY 49 CO 0.80 0.69 -0.17 -1.34 0.00 0.00 0.00 173.10 173.07 1j49 s VAL 50 N -2.00 1.36 -0.18 1.40 -7.23 -0.95 -1.08 120.40 111.72 1j49 s VAL 50 Ca 0.10 -0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 59.38 1j49 s VAL 50 Cb -0.01 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 1j49 s VAL 50 CO -0.04 0.30 -0.03 0.68 -0.31 0.00 0.00 175.10 175.70 1j49 s VAL 51 N -0.52 3.85 0.17 1.32 -7.23 0.00 -1.05 120.40 116.93 1j49 s VAL 51 Ca 0.06 -0.36 0.06 0.00 -1.81 0.00 0.00 61.98 59.93 1j49 s VAL 51 Cb -0.07 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 1j49 s VAL 51 CO 0.00 0.46 -0.12 0.68 -0.31 0.00 0.00 175.10 175.82 1j49 s VAL 52 N 0.69 1.37 -0.30 1.32 -7.23 0.83 -1.44 120.40 115.64 1j49 s VAL 52 Ca -0.01 -2.11 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 1j49 s VAL 52 Cb -0.14 -1.92 0.19 0.00 0.56 0.00 0.00 36.38 35.06 1j49 s VAL 52 CO 0.02 -0.69 0.79 -0.47 -0.31 0.00 0.00 175.10 174.44 1j49 s TYR 53 N -3.20 -1.18 -0.25 2.82 5.04 -1.26 -0.51 117.35 118.80 1j49 s TYR 53 Ca 0.19 1.12 -0.29 0.00 -2.44 0.00 0.00 57.07 55.65 1j49 s TYR 53 Cb 0.01 0.36 0.17 0.00 0.35 0.00 0.00 41.96 42.86 1j49 s TYR 53 CO 0.03 -0.65 1.25 1.14 -1.34 0.00 0.00 175.55 175.98 1j49 s GLN 54 N 2.90 0.23 0.14 4.97 -2.07 -1.26 -4.69 119.66 119.87 1j49 s GLN 54 Ca 0.13 0.08 0.14 0.00 -1.82 0.00 0.00 55.36 53.88 1j49 s GLN 54 Cb -0.12 0.11 -0.09 0.00 -1.09 0.00 0.00 33.01 31.82 1j49 s GLN 54 CO -0.18 -0.07 1.11 1.96 -1.32 0.00 0.00 175.29 176.79 1j49 h GLN 55 N 2.37 0.00 -6.01 9.60 4.20 -2.02 -3.44 115.11 119.81 1j49 h GLN 55 Ca -0.13 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 57.85 1j49 h GLN 55 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 1j49 h GLN 55 CO 0.24 0.51 1.31 -0.11 -0.67 0.00 0.00 178.83 180.11 1j49 n LEU 56 N -3.11 1.51 -3.66 1.46 -0.00 -1.26 -4.79 117.00 107.15 1j49 n LEU 56 Ca -0.05 0.61 -0.33 0.00 -0.00 0.00 0.00 56.01 56.24 1j49 n LEU 56 Cb 0.84 -1.08 0.02 0.00 -0.00 0.00 0.00 43.42 43.20 1j49 n LEU 56 CO 0.43 -0.73 -0.83 0.47 -0.00 0.00 0.00 177.39 176.73 1j49 n ASP 57 N 8.26 -4.14 -4.36 1.96 9.92 -1.26 -4.88 116.55 122.06 1j49 n ASP 57 Ca 0.46 0.40 -0.45 0.00 -0.53 0.00 0.00 54.79 54.67 1j49 n ASP 57 Cb 0.09 -0.72 -0.00 0.00 -0.64 0.00 0.00 41.12 39.85 1j49 n ASP 57 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1j49 s TYR 58 N -1.77 4.13 0.30 1.24 2.02 1.35 -5.00 117.35 119.61 1j49 s TYR 58 Ca 0.44 -2.56 -0.29 0.00 -0.37 0.00 0.00 57.07 54.29 1j49 s TYR 58 Cb -0.32 -3.91 -0.10 0.00 -0.40 0.00 0.00 41.96 37.23 1j49 s TYR 58 CO 0.65 -1.02 1.26 0.96 -1.57 0.00 0.00 175.55 175.82 1j49 s ILE 59 N -0.74 2.97 0.17 2.71 -4.36 -1.26 -1.37 121.20 119.32 1j49 s ILE 59 Ca 0.32 0.95 -0.18 0.00 -0.26 0.00 0.00 60.65 61.47 1j49 s ILE 59 Cb -0.09 -3.60 0.11 0.00 1.25 0.00 0.00 42.46 40.13 1j49 s ILE 59 CO -0.07 0.21 1.27 0.00 0.24 0.00 0.00 174.94 176.59 1j49 n ALA 60 N 1.17 -0.24 -0.32 2.27 0.00 -1.26 0.36 120.51 122.49 1j49 n ALA 60 Ca 0.01 0.78 0.12 0.00 0.00 0.00 0.00 53.44 54.34 1j49 n ALA 60 Cb 0.43 -0.28 0.26 0.00 0.00 0.00 0.00 19.45 19.85 1j49 n ALA 60 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1j49 h GLU 61 N 0.00 0.04 0.74 0.00 4.81 -1.98 0.57 114.58 118.77 1j49 h GLU 61 Ca 0.23 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1j49 h GLU 61 Cb 0.44 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.82 1j49 h GLU 61 CO -0.80 0.03 -0.36 1.15 -0.73 0.00 0.00 179.01 178.30 1j49 h THR 62 N 0.05 0.07 -0.75 0.32 2.02 0.61 -1.06 112.91 114.16 1j49 h THR 62 Ca 0.55 -0.24 0.17 0.00 0.77 0.00 0.00 66.41 67.66 1j49 h THR 62 Cb 1.09 0.09 -0.12 0.00 -1.74 0.00 0.00 68.15 67.47 1j49 h THR 62 CO -0.85 0.01 0.08 -0.07 0.37 0.00 0.00 175.52 175.06 1j49 h LEU 63 N -1.22 -0.19 -0.80 2.58 4.07 0.49 0.38 115.31 120.62 1j49 h LEU 63 Ca -0.10 0.18 0.02 0.00 0.08 0.00 0.00 57.88 58.05 1j49 h LEU 63 Cb 0.78 0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.76 1j49 h LEU 63 CO 0.17 -0.13 0.52 -0.61 -1.08 0.00 0.00 178.44 177.31 1j49 h GLN 64 N 0.17 1.02 0.00 1.13 -0.00 0.19 -0.36 115.11 117.25 1j49 h GLN 64 Ca 0.42 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 1j49 h GLN 64 Cb 0.75 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 28.00 1j49 h GLN 64 CO -0.60 0.67 0.00 0.00 0.00 0.00 0.00 178.83 178.90 1j49 h ALA 65 N 1.31 1.00 0.10 3.38 0.00 0.41 0.25 119.26 125.71 1j49 h ALA 65 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1j49 h ALA 65 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1j49 h ALA 65 CO -0.09 0.00 -0.05 -0.07 0.00 0.00 0.00 179.25 179.04 1j49 h LEU 66 N 0.00 -0.12 -0.81 0.00 3.38 -0.27 -2.81 115.31 114.69 1j49 h LEU 66 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1j49 h LEU 66 Cb 0.47 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1j49 h LEU 66 CO 0.00 0.27 0.39 0.00 0.09 0.00 0.00 178.44 179.18 1j49 h ALA 67 N -1.24 1.19 0.00 1.53 0.00 -0.52 1.37 119.26 121.60 1j49 h ALA 67 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1j49 h ALA 67 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1j49 h ALA 67 CO 0.02 -0.13 0.00 -0.44 0.00 0.00 0.00 179.25 178.70 1j49 h ASP 68 N 0.56 0.00 -0.48 0.00 3.32 -1.04 1.35 116.42 120.14 1j49 h ASP 68 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1j49 h ASP 68 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1j49 h ASP 68 CO -0.37 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.74 1j49 n ASN 69 N -2.47 3.43 0.00 6.45 5.03 0.45 -4.95 115.26 123.20 1j49 n ASN 69 Ca -0.01 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1j49 n ASN 69 Cb 0.09 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.54 1j49 n ASN 69 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j49 n GLY 70 N 1.29 0.72 3.79 7.41 0.00 0.46 -4.20 105.19 114.67 1j49 n GLY 70 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1j49 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j49 s ILE 71 N -2.52 5.42 0.00 -0.61 -1.09 -0.65 -4.92 121.20 116.83 1j49 s ILE 71 Ca 0.00 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1j49 s ILE 71 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 1j49 s ILE 71 CO 0.00 0.51 0.27 1.07 -1.23 0.00 0.00 174.94 175.56 1j49 n THR 72 N 2.89 0.00 -4.72 2.92 5.66 -1.26 -2.00 114.28 117.77 1j49 n THR 72 Ca -0.17 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.50 1j49 n THR 72 Cb 0.53 1.43 -0.15 0.00 -1.55 0.00 0.00 70.33 70.59 1j49 n THR 72 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1j49 s LYS 73 N 0.00 3.25 -0.05 1.09 -0.14 -1.26 0.40 119.74 123.03 1j49 s LYS 73 Ca 0.00 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.87 1j49 s LYS 73 Cb 0.00 -2.58 0.02 0.00 -1.68 0.00 0.00 37.83 33.59 1j49 s LYS 73 CO 0.00 0.11 -0.03 1.41 -0.76 0.00 0.00 175.35 176.08 1j49 s MET 74 N 0.58 0.81 -0.20 1.68 1.75 0.12 -2.23 119.30 121.81 1j49 s MET 74 Ca -0.09 -0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.30 1j49 s MET 74 Cb -0.16 -0.91 0.03 0.00 2.84 0.00 0.00 34.83 36.63 1j49 s MET 74 CO 0.03 -0.15 -0.15 -1.12 -0.65 0.00 0.00 175.02 172.99 1j49 s SER 75 N 1.22 3.44 -0.06 1.11 0.01 -0.21 0.81 113.70 120.02 1j49 s SER 75 Ca -0.06 -0.85 -0.30 0.00 1.31 0.00 0.00 55.95 56.05 1j49 s SER 75 Cb -0.14 -1.41 -0.02 0.00 0.21 0.00 0.00 66.02 64.66 1j49 s SER 75 CO -0.02 -0.08 1.02 -0.76 0.41 0.00 0.00 173.24 173.81 1j49 s LEU 76 N 1.29 4.30 0.00 2.44 1.43 0.32 -0.12 118.68 128.34 1j49 s LEU 76 Ca 0.00 1.62 0.16 0.00 -1.03 0.00 0.00 54.13 54.88 1j49 s LEU 76 Cb -0.15 -3.56 0.85 0.00 0.03 0.00 0.00 46.19 43.35 1j49 s LEU 76 CO -0.10 -0.39 1.56 0.54 0.23 0.00 0.00 176.35 178.19 1j49 n ARG 77 N 4.58 1.16 -0.92 1.70 1.74 0.33 -2.32 116.66 122.92 1j49 n ARG 77 Ca 0.08 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1j49 n ARG 77 Cb 0.49 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1j49 n ARG 77 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1j49 n ASN 78 N -0.50 1.68 -0.11 0.55 6.94 -1.26 -4.64 115.26 117.93 1j49 n ASN 78 Ca 0.12 -0.46 -0.24 0.00 -0.02 0.00 0.00 54.58 53.98 1j49 n ASN 78 Cb 0.11 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 1j49 n ASN 78 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1j49 n VAL 79 N 0.00 1.56 -1.63 3.53 0.31 -1.13 0.18 118.33 121.15 1j49 n VAL 79 Ca 0.00 -0.39 -0.50 0.00 -0.01 0.00 0.00 64.34 63.44 1j49 n VAL 79 Cb 0.00 -1.79 -0.05 0.00 -0.91 0.00 0.00 33.84 31.09 1j49 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j49 n GLY 80 N 1.64 0.78 0.78 2.92 0.00 -1.26 -4.74 105.19 105.31 1j49 n GLY 80 Ca -0.45 0.71 0.05 0.00 0.00 0.00 0.00 46.02 46.34 1j49 n GLY 80 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j49 n VAL 81 N 3.14 1.89 -0.01 1.61 0.24 -1.26 -4.83 118.33 119.10 1j49 n VAL 81 Ca 0.19 -2.94 -0.21 0.00 -2.04 0.00 0.00 64.34 59.34 1j49 n VAL 81 Cb 0.22 -0.07 -0.14 0.00 -1.47 0.00 0.00 33.84 32.39 1j49 n VAL 81 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1j49 h ASP 82 N 1.04 0.30 -0.28 -1.34 3.32 -2.01 -3.35 116.42 114.10 1j49 h ASP 82 Ca -0.03 -0.83 -0.06 0.00 0.02 0.00 0.00 57.03 56.13 1j49 h ASP 82 Cb 1.15 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 1j49 h ASP 82 CO 0.04 1.51 0.08 -0.46 -1.72 0.00 0.00 179.24 178.69 1j49 n ASN 83 N -4.08 3.02 -4.49 6.45 6.94 -1.26 -4.81 115.26 117.02 1j49 n ASN 83 Ca -0.23 -2.45 -0.41 0.00 -0.02 0.00 0.00 54.58 51.46 1j49 n ASN 83 Cb 0.82 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 37.54 1j49 n ASN 83 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1j49 s ILE 84 N -1.58 5.23 -0.80 1.53 1.01 -1.26 0.41 121.20 125.73 1j49 s ILE 84 Ca 0.22 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 1j49 s ILE 84 Cb 0.17 -3.79 -0.18 0.00 0.01 0.00 0.00 42.46 38.68 1j49 s ILE 84 CO 0.06 -0.14 2.38 -0.67 0.00 0.00 0.00 174.94 176.57 1j49 n ASP 85 N 5.12 1.06 0.07 3.58 -0.08 -0.47 -4.75 116.55 121.08 1j49 n ASP 85 Ca -0.12 -1.01 -0.02 0.00 -1.51 0.00 0.00 54.79 52.13 1j49 n ASP 85 Cb 0.48 -1.35 0.23 0.00 2.34 0.00 0.00 41.12 42.82 1j49 n ASP 85 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1j49 h MET 86 N 13.44 0.31 -0.32 -0.67 2.86 -1.93 -2.67 114.93 125.95 1j49 h MET 86 Ca -0.03 -0.13 -0.15 0.00 -2.06 0.00 0.00 59.70 57.32 1j49 h MET 86 Cb 1.09 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1j49 h MET 86 CO 1.19 0.63 -0.41 0.00 1.06 0.00 0.00 176.91 179.39 1j49 h ALA 87 N 1.37 0.69 0.28 6.32 0.00 -1.93 -2.45 119.26 123.53 1j49 h ALA 87 Ca 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1j49 h ALA 87 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1j49 h ALA 87 CO 0.06 0.67 -0.13 -0.22 0.00 0.00 0.00 179.25 179.62 1j49 h LYS 88 N 0.63 -0.36 -0.10 0.00 1.63 -1.95 -2.18 116.57 114.25 1j49 h LYS 88 Ca 0.05 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1j49 h LYS 88 Cb 0.96 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.63 1j49 h LYS 88 CO 0.09 -0.22 -0.33 0.00 -3.45 0.00 0.00 179.45 175.54 1j49 h ALA 89 N 0.31 -0.70 -1.02 5.00 0.00 -1.42 0.13 119.26 121.57 1j49 h ALA 89 Ca -0.04 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.09 1j49 h ALA 89 Cb 0.31 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1j49 h ALA 89 CO 0.06 -0.82 0.65 -0.22 0.00 0.00 0.00 179.25 178.92 1j49 h LYS 90 N -0.34 0.43 0.22 0.00 3.64 -1.45 -0.56 116.57 118.51 1j49 h LYS 90 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1j49 h LYS 90 Cb 0.40 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1j49 h LYS 90 CO -0.27 0.29 -0.22 1.49 -2.27 0.00 0.00 179.45 178.46 1j49 h GLU 91 N 0.45 -0.46 -0.21 1.90 4.57 -0.11 -2.30 114.58 118.42 1j49 h GLU 91 Ca 0.58 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 1j49 h GLU 91 Cb 1.39 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1j49 h GLU 91 CO -0.31 -0.31 0.00 1.28 -1.18 0.00 0.00 179.01 178.50 1j49 n LEU 92 N -5.35 0.74 -2.19 1.64 4.32 -0.32 -4.86 117.00 110.99 1j49 n LEU 92 Ca -0.08 -0.37 -0.17 0.00 -0.02 0.00 0.00 56.01 55.37 1j49 n LEU 92 Cb 0.26 -0.13 0.02 0.00 -1.62 0.00 0.00 43.42 41.95 1j49 n LEU 92 CO 0.29 0.17 -0.06 0.61 -1.22 0.00 0.00 177.39 177.18 1j49 n GLY 93 N 0.61 -0.25 3.74 -0.72 0.00 -0.78 -4.94 105.19 102.85 1j49 n GLY 93 Ca 0.04 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1j49 n GLY 93 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j49 s PHE 94 N -2.96 2.92 -0.21 1.61 0.40 -0.61 -4.94 117.98 114.19 1j49 s PHE 94 Ca 0.16 0.83 -0.09 0.00 -0.60 0.00 0.00 56.93 57.23 1j49 s PHE 94 Cb -0.07 -3.95 -0.05 0.00 0.51 0.00 0.00 43.02 39.46 1j49 s PHE 94 CO 0.20 -3.23 0.12 -0.65 0.70 0.00 0.00 175.22 172.35 1j49 s GLN 95 N -0.10 4.05 -0.04 0.44 -0.21 0.16 -4.78 119.66 119.18 1j49 s GLN 95 Ca 0.63 -0.29 0.02 0.00 0.02 0.00 0.00 55.36 55.74 1j49 s GLN 95 Cb -0.45 -3.40 0.01 0.00 1.00 0.00 0.00 33.01 30.18 1j49 s GLN 95 CO 0.42 0.18 -0.08 0.42 -2.12 0.00 0.00 175.29 174.11 1j49 s ILE 96 N 0.69 0.79 0.31 1.08 1.01 -1.26 0.13 121.20 123.95 1j49 s ILE 96 Ca 0.06 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 60.50 1j49 s ILE 96 Cb -0.13 -0.74 -0.06 0.00 0.01 0.00 0.00 42.46 41.55 1j49 s ILE 96 CO 0.01 0.27 -0.10 0.42 0.00 0.00 0.00 174.94 175.54 1j49 s THR 97 N 0.60 2.07 0.01 2.92 -4.23 0.24 0.16 115.64 117.40 1j49 s THR 97 Ca -0.10 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.21 1j49 s THR 97 Cb -0.13 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 71.20 1j49 s THR 97 CO 0.01 -0.28 0.01 -0.46 -0.54 0.00 0.00 174.62 173.37 1j49 n ASN 98 N -0.69 0.03 -3.77 3.99 0.23 -0.62 0.12 115.26 114.55 1j49 n ASN 98 Ca -0.05 -1.06 -0.30 0.00 -0.53 0.00 0.00 54.58 52.63 1j49 n ASN 98 Cb 0.63 0.05 -0.14 0.00 -2.08 0.00 0.00 39.78 38.23 1j49 n ASN 98 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1j49 s VAL 99 N -2.01 1.26 0.17 3.53 1.01 0.49 -4.70 120.40 120.14 1j49 s VAL 99 Ca 0.01 -1.89 -0.06 0.00 0.00 0.00 0.00 61.98 60.03 1j49 s VAL 99 Cb 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 1j49 s VAL 99 CO 0.01 -0.73 1.48 1.55 0.00 0.00 0.00 175.10 177.41 1j49 h PRO 100 N 7.61 0.71 -3.58 2.72 0.13 -1.89 -2.98 132.00 134.72 1j49 h PRO 100 Ca -0.08 -0.43 -0.43 0.00 -0.87 0.00 0.00 66.00 64.19 1j49 h PRO 100 Cb 0.99 0.04 -0.39 0.00 0.13 0.00 0.00 31.00 31.77 1j49 h PRO 100 CO 0.48 1.05 -0.76 0.08 -0.23 0.00 0.00 178.00 178.62 1j49 s VAL 101 N -4.12 0.27 0.00 1.56 1.01 -1.26 -4.89 120.40 112.97 1j49 s VAL 101 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1j49 s VAL 101 Cb 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1j49 s VAL 101 CO 0.86 0.19 0.00 0.00 0.00 0.00 0.00 175.10 176.15 1j49 n TYR 102 N 5.18 0.00 -3.09 5.22 0.18 -1.26 -4.95 117.16 118.43 1j49 n TYR 102 Ca -0.06 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.76 1j49 n TYR 102 Cb 0.50 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.46 1j49 n TYR 102 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1j49 s SER 103 N -4.18 -0.86 0.31 9.48 0.15 -1.26 -4.45 113.70 112.88 1j49 s SER 103 Ca 0.00 -0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.65 1j49 s SER 103 Cb 0.00 1.41 0.51 0.00 -1.71 0.00 0.00 66.02 66.23 1j49 s SER 103 CO 0.00 -0.14 1.76 -0.65 1.20 0.00 0.00 173.24 175.41 1j49 h PRO 104 N 7.10 0.32 0.00 5.44 0.11 -1.95 -2.91 132.00 140.11 1j49 h PRO 104 Ca -0.04 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.87 1j49 h PRO 104 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1j49 h PRO 104 CO -0.00 0.59 -0.35 -0.91 -0.21 0.00 0.00 178.00 177.12 1j49 h ASN 105 N 0.28 0.00 -0.24 -2.05 4.21 -1.94 -1.58 115.58 114.26 1j49 h ASN 105 Ca 0.04 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.60 1j49 h ASN 105 Cb 0.66 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.82 1j49 h ASN 105 CO 0.05 0.35 -0.06 0.00 -1.29 0.00 0.00 177.43 176.48 1j49 h ALA 106 N 1.65 0.16 0.00 -0.83 0.00 -1.79 0.15 119.26 118.60 1j49 h ALA 106 Ca -0.00 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 1j49 h ALA 106 Cb 0.64 0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.63 1j49 h ALA 106 CO 0.05 -0.47 -0.81 0.82 0.00 0.00 0.00 179.25 178.83 1j49 h ILE 107 N -0.00 1.36 -0.25 0.00 2.04 -1.53 -2.89 117.51 116.23 1j49 h ILE 107 Ca 0.11 -2.16 -0.09 0.00 1.00 0.00 0.00 64.86 63.73 1j49 h ILE 107 Cb 0.18 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1j49 h ILE 107 CO -0.25 0.65 -0.22 0.00 0.00 0.00 0.00 178.15 178.33 1j49 h ALA 108 N 0.36 1.16 -0.35 1.87 0.00 -1.13 -2.05 119.26 119.11 1j49 h ALA 108 Ca -0.10 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1j49 h ALA 108 Cb 1.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1j49 h ALA 108 CO 0.16 0.53 -0.25 0.93 0.00 0.00 0.00 179.25 180.63 1j49 h GLU 109 N 0.41 0.78 -0.35 0.00 5.08 -0.76 -1.80 114.58 117.95 1j49 h GLU 109 Ca 0.07 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1j49 h GLU 109 Cb 0.62 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1j49 h GLU 109 CO 0.04 1.00 0.20 1.25 -1.00 0.00 0.00 179.01 180.51 1j49 h HIS 110 N 0.56 0.38 -0.70 4.33 2.76 -1.34 0.90 115.15 122.05 1j49 h HIS 110 Ca 0.07 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1j49 h HIS 110 Cb 0.81 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.61 1j49 h HIS 110 CO 0.06 0.22 0.46 0.00 -1.30 0.00 0.00 177.93 177.37 1j49 h ALA 111 N 1.16 0.89 -0.01 5.26 0.00 -1.31 -0.83 119.26 124.41 1j49 h ALA 111 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1j49 h ALA 111 Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1j49 h ALA 111 CO -0.07 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1j49 h ALA 112 N 1.26 0.02 -0.31 0.00 0.00 -0.68 -1.37 119.26 118.19 1j49 h ALA 112 Ca 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1j49 h ALA 112 Cb -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1j49 h ALA 112 CO -0.07 -0.37 0.19 0.82 0.00 0.00 0.00 179.25 179.82 1j49 h ILE 113 N -0.18 1.05 -0.64 0.00 2.04 -0.65 -1.75 117.51 117.38 1j49 h ILE 113 Ca 0.00 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1j49 h ILE 113 Cb 0.21 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1j49 h ILE 113 CO -0.00 0.07 0.10 1.56 0.00 0.00 0.00 178.15 179.88 1j49 h GLN 114 N 0.38 1.04 0.32 2.37 1.08 -1.11 -0.78 115.11 118.41 1j49 h GLN 114 Ca 0.12 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 57.03 1j49 h GLN 114 Cb -0.02 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 1j49 h GLN 114 CO -0.04 0.95 -0.15 0.00 -0.95 0.00 0.00 178.83 178.64 1j49 h ALA 115 N 1.13 -0.43 -0.71 3.87 0.00 -1.17 -1.48 119.26 120.47 1j49 h ALA 115 Ca 0.20 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1j49 h ALA 115 Cb 0.42 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1j49 h ALA 115 CO 0.01 -0.69 0.35 0.00 0.00 0.00 0.00 179.25 178.92 1j49 h ALA 116 N 0.12 0.99 -0.32 0.00 0.00 -1.16 0.33 119.26 119.22 1j49 h ALA 116 Ca -0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1j49 h ALA 116 Cb 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1j49 h ALA 116 CO 0.07 -0.07 0.07 0.00 0.00 0.00 0.00 179.25 179.33 1j49 h ARG 117 N 0.58 0.19 -0.58 0.00 3.08 -0.93 0.06 114.38 116.78 1j49 h ARG 117 Ca 0.36 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1j49 h ARG 117 Cb 0.40 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1j49 h ARG 117 CO -0.29 0.12 0.37 0.82 -1.07 0.00 0.00 179.97 179.93 1j49 h ILE 118 N 0.19 1.16 -0.86 2.04 2.04 -1.02 0.38 117.51 121.45 1j49 h ILE 118 Ca 0.15 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1j49 h ILE 118 Cb 0.16 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1j49 h ILE 118 CO -0.19 0.16 0.56 -0.07 0.00 0.00 0.00 178.15 178.61 1j49 h LEU 119 N 0.78 0.90 0.00 1.44 3.38 -0.40 -1.01 115.31 120.40 1j49 h LEU 119 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1j49 h LEU 119 Cb -0.06 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1j49 h LEU 119 CO -0.04 0.61 0.00 -1.14 0.09 0.00 0.00 178.44 177.96 1j49 n ARG 120 N -4.45 0.02 -3.51 1.13 3.00 -0.04 -1.21 116.66 111.59 1j49 n ARG 120 Ca 0.12 0.05 -0.25 0.00 -0.00 0.00 0.00 57.85 57.77 1j49 n ARG 120 Cb 0.13 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.14 1j49 n ARG 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1j49 n GLN 121 N -1.49 -6.44 0.02 -0.14 6.02 -0.38 -4.31 117.38 110.66 1j49 n GLN 121 Ca 0.07 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1j49 n GLN 121 Cb 0.30 -5.74 0.31 0.00 1.02 0.00 0.00 30.24 26.13 1j49 n GLN 121 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1j49 h ASP 122 N -2.15 0.44 -0.33 1.08 1.82 -1.23 -1.39 116.42 114.66 1j49 h ASP 122 Ca -0.55 -0.09 -0.09 0.00 -0.39 0.00 0.00 57.03 55.91 1j49 h ASP 122 Cb 1.37 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.25 1j49 h ASP 122 CO 0.59 0.54 -0.14 0.50 -1.61 0.00 0.00 179.24 179.11 1j49 h LYS 123 N 0.45 0.69 -0.65 0.28 3.64 -1.80 0.24 116.57 119.42 1j49 h LYS 123 Ca 0.09 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1j49 h LYS 123 Cb 0.35 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1j49 h LYS 123 CO 0.01 0.89 0.33 0.00 -2.27 0.00 0.00 179.45 178.41 1j49 h ALA 124 N 0.78 1.36 -0.36 5.00 0.00 -1.58 -1.38 119.26 123.08 1j49 h ALA 124 Ca 0.08 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1j49 h ALA 124 Cb 0.67 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1j49 h ALA 124 CO 0.05 0.51 -0.41 1.98 0.00 0.00 0.00 179.25 181.38 1j49 h MET 125 N 0.91 0.89 -0.51 0.00 1.85 -0.78 -1.77 114.93 115.52 1j49 h MET 125 Ca 0.23 -0.48 -0.10 0.00 -0.61 0.00 0.00 59.70 58.74 1j49 h MET 125 Cb 0.07 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 1j49 h MET 125 CO -0.03 1.13 -0.08 -0.44 -0.40 0.00 0.00 176.91 177.08 1j49 h ASP 126 N 0.72 0.93 -0.70 1.39 3.32 -0.25 -1.18 116.42 120.65 1j49 h ASP 126 Ca 0.05 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 1j49 h ASP 126 Cb 1.00 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1j49 h ASP 126 CO 0.10 1.03 0.18 -0.33 -1.72 0.00 0.00 179.24 178.50 1j49 h GLU 127 N 0.84 1.11 -0.05 3.56 5.08 -1.15 -0.63 114.58 123.34 1j49 h GLU 127 Ca 0.14 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1j49 h GLU 127 Cb 0.62 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1j49 h GLU 127 CO 0.04 0.97 0.01 0.87 -1.00 0.00 0.00 179.01 179.91 1j49 h LYS 128 N 1.05 0.08 -0.69 2.33 1.57 -0.75 -2.86 116.57 117.30 1j49 h LYS 128 Ca 0.22 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1j49 h LYS 128 Cb 0.35 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1j49 h LYS 128 CO -0.00 0.29 0.30 0.28 -0.57 0.00 0.00 179.45 179.76 1j49 h VAL 129 N -0.15 1.23 -0.10 0.50 2.07 -1.15 0.20 116.25 118.86 1j49 h VAL 129 Ca 0.02 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 1j49 h VAL 129 Cb 0.25 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1j49 h VAL 129 CO 0.00 0.28 -0.28 0.00 0.02 0.00 0.00 177.57 177.59 1j49 h ALA 130 N 1.35 1.36 -0.01 1.67 0.00 -1.06 -0.22 119.26 122.36 1j49 h ALA 130 Ca 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1j49 h ALA 130 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1j49 h ALA 130 CO -0.03 0.45 -0.01 0.54 0.00 0.00 0.00 179.25 180.20 1j49 n ARG 131 N -4.16 1.42 -2.33 0.00 1.74 -0.65 -4.91 116.66 107.78 1j49 n ARG 131 Ca -0.01 -0.67 -0.06 0.00 -0.77 0.00 0.00 57.85 56.33 1j49 n ARG 131 Cb 0.37 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1j49 n ARG 131 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1j49 n HIS 132 N -0.20 -0.45 -3.17 -1.55 8.25 -0.09 -4.99 115.22 113.01 1j49 n HIS 132 Ca 0.20 0.09 -0.46 0.00 -0.26 0.00 0.00 57.72 57.29 1j49 n HIS 132 Cb 0.29 -1.94 -0.02 0.00 1.12 0.00 0.00 29.99 29.44 1j49 n HIS 132 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j49 s ASP 133 N -2.84 6.68 -0.13 0.41 -1.08 0.61 -4.88 116.67 115.42 1j49 s ASP 133 Ca 0.05 -2.38 0.09 0.00 -0.52 0.00 0.00 52.55 49.79 1j49 s ASP 133 Cb -0.02 -2.28 0.48 0.00 -1.46 0.00 0.00 42.92 39.64 1j49 s ASP 133 CO 0.06 -0.78 1.25 0.18 0.52 0.00 0.00 175.17 176.40 1j49 n LEU 134 N 5.03 3.74 -4.76 -1.34 4.77 -1.26 -3.42 117.00 119.76 1j49 n LEU 134 Ca 0.16 -1.89 -0.40 0.00 -0.03 0.00 0.00 56.01 53.85 1j49 n LEU 134 Cb 0.47 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1j49 n LEU 134 CO 0.41 0.48 0.81 -0.13 -1.33 0.00 0.00 177.39 177.63 1j49 s ARG 135 N -2.01 4.50 0.02 3.23 0.52 -1.26 -4.97 118.95 118.97 1j49 s ARG 135 Ca 0.32 1.82 -0.16 0.00 -0.52 0.00 0.00 55.73 57.19 1j49 s ARG 135 Cb 0.24 -3.05 -0.09 0.00 0.52 0.00 0.00 34.95 32.57 1j49 s ARG 135 CO 0.10 0.08 1.19 -1.49 0.02 0.00 0.00 175.30 175.20 1j49 h TRP 136 N 3.50 -0.53 -4.07 -0.53 6.55 -1.97 -3.45 115.95 115.45 1j49 h TRP 136 Ca -0.47 -0.01 -0.55 0.00 0.95 0.00 0.00 58.89 58.80 1j49 h TRP 136 Cb 1.22 0.18 0.14 0.00 -0.86 0.00 0.00 29.16 29.83 1j49 h TRP 136 CO 0.58 -0.33 0.57 0.00 -1.05 0.00 0.00 178.44 178.21 1j49 s ALA 137 N -4.24 2.66 -2.07 1.49 0.00 -1.26 -2.06 121.76 116.28 1j49 s ALA 137 Ca -0.08 1.28 0.23 0.00 0.00 0.00 0.00 51.96 53.38 1j49 s ALA 137 Cb 0.01 -3.56 0.59 0.00 0.00 0.00 0.00 23.12 20.16 1j49 s ALA 137 CO 0.25 -1.44 1.51 -0.35 0.00 0.00 0.00 175.76 175.73 1j49 n PRO 138 N -1.34 2.68 -0.66 0.00 -0.04 -1.26 -5.03 135.00 129.34 1j49 n PRO 138 Ca 0.12 -2.58 -0.22 0.00 -0.04 0.00 0.00 63.50 60.78 1j49 n PRO 138 Cb 0.46 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1j49 n PRO 138 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1j49 n THR 139 N 1.61 1.81 -2.71 0.52 -1.04 -0.88 -4.92 114.28 108.67 1j49 n THR 139 Ca 0.23 -1.16 -0.37 0.00 -2.04 0.00 0.00 64.05 60.71 1j49 n THR 139 Cb 0.62 -2.04 -0.06 0.00 -1.82 0.00 0.00 70.33 67.03 1j49 n THR 139 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1j49 s ILE 140 N 4.08 4.06 0.59 12.58 2.07 -1.26 -4.94 121.20 138.39 1j49 s ILE 140 Ca 0.36 1.68 -0.00 0.00 -1.41 0.00 0.00 60.65 61.28 1j49 s ILE 140 Cb 0.09 -3.92 0.05 0.00 0.13 0.00 0.00 42.46 38.81 1j49 s ILE 140 CO 0.01 0.11 0.84 -0.83 -1.91 0.00 0.00 174.94 173.16 1j49 s GLY 141 N -1.58 1.80 -0.15 1.50 0.00 -1.26 -4.72 107.32 102.91 1j49 s GLY 141 Ca 0.52 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1j49 s GLY 141 CO 0.25 -0.94 -0.18 0.50 0.00 0.00 0.00 173.10 172.73 1j49 s ARG 142 N -4.89 3.13 0.45 2.90 0.52 -0.35 -4.97 118.95 115.75 1j49 s ARG 142 Ca 0.59 -0.79 -0.24 0.00 -0.52 0.00 0.00 55.73 54.77 1j49 s ARG 142 Cb -0.10 -2.55 -0.07 0.00 0.52 0.00 0.00 34.95 32.74 1j49 s ARG 142 CO 0.40 -0.01 1.21 -1.21 0.02 0.00 0.00 175.30 175.71 1j49 s GLU 143 N 0.84 3.76 0.21 3.54 2.02 -1.26 -4.21 118.70 123.61 1j49 s GLU 143 Ca -0.05 1.90 -0.09 0.00 0.02 0.00 0.00 54.97 56.75 1j49 s GLU 143 Cb -0.15 -2.49 0.16 0.00 0.10 0.00 0.00 34.13 31.76 1j49 s GLU 143 CO -0.01 -0.58 1.82 0.28 0.02 0.00 0.00 175.26 176.79 1j49 h VAL 144 N 1.98 1.24 0.00 2.63 2.07 -1.93 -2.89 116.25 119.36 1j49 h VAL 144 Ca -0.49 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1j49 h VAL 144 Cb 1.25 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1j49 h VAL 144 CO 0.61 0.28 0.00 0.08 0.02 0.00 0.00 177.57 178.56 1j49 h ARG 145 N 1.12 0.00 -0.02 1.57 0.11 -1.84 -0.95 114.38 114.37 1j49 h ARG 145 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 1j49 h ARG 145 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1j49 h ARG 145 CO -0.04 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.78 1j49 n ASP 146 N -2.49 1.25 -4.88 0.08 8.00 -1.09 -4.37 116.55 113.05 1j49 n ASP 146 Ca 0.00 -1.44 -0.25 0.00 0.71 0.00 0.00 54.79 53.81 1j49 n ASP 146 Cb 0.16 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1j49 n ASP 146 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1j49 s GLN 147 N -1.98 3.18 -0.24 -1.24 -1.52 -0.36 -5.03 119.66 112.47 1j49 s GLN 147 Ca 0.39 -0.77 -0.15 0.00 -1.95 0.00 0.00 55.36 52.88 1j49 s GLN 147 Cb 0.21 -2.79 -0.04 0.00 -0.22 0.00 0.00 33.01 30.17 1j49 s GLN 147 CO 0.33 0.48 0.37 0.08 -0.25 0.00 0.00 175.29 176.31 1j49 s VAL 148 N -1.81 5.19 -0.27 1.09 1.01 -1.26 -2.21 120.40 122.14 1j49 s VAL 148 Ca 0.33 0.60 -0.08 0.00 0.00 0.00 0.00 61.98 62.82 1j49 s VAL 148 Cb -0.10 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1j49 s VAL 148 CO 0.26 0.20 0.10 -0.69 0.00 0.00 0.00 175.10 174.98 1j49 s VAL 149 N 1.74 4.44 -0.24 2.92 1.01 0.58 0.13 120.40 130.98 1j49 s VAL 149 Ca 0.16 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 1j49 s VAL 149 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1j49 s VAL 149 CO 0.09 0.24 0.29 -0.83 0.00 0.00 0.00 175.10 174.88 1j49 s GLY 150 N 1.62 1.98 -0.19 4.51 0.00 0.17 -0.91 107.32 114.49 1j49 s GLY 150 Ca 0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 1j49 s GLY 150 CO 0.05 0.70 -0.03 0.14 0.00 0.00 0.00 173.10 173.96 1j49 s VAL 151 N 1.49 3.76 -0.35 1.40 1.01 -0.57 -1.82 120.40 125.32 1j49 s VAL 151 Ca 0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1j49 s VAL 151 Cb -0.15 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1j49 s VAL 151 CO 0.08 0.45 0.16 -0.69 0.00 0.00 0.00 175.10 175.10 1j49 s VAL 152 N 0.89 4.36 0.00 2.92 1.01 -0.97 -1.05 120.40 127.55 1j49 s VAL 152 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1j49 s VAL 152 Cb -0.14 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1j49 s VAL 152 CO 0.02 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1j49 n GLY 153 N 4.95 1.31 2.52 4.51 0.00 0.47 -0.01 105.19 118.94 1j49 n GLY 153 Ca -0.13 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 1j49 n GLY 153 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j49 n THR 154 N 2.92 2.08 -0.29 2.61 -2.24 -1.26 -4.35 114.28 113.74 1j49 n THR 154 Ca 0.00 -4.54 0.00 0.00 -2.27 0.00 0.00 64.05 57.24 1j49 n THR 154 Cb 0.00 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1j49 n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j49 n GLY 155 N -0.39 0.50 0.19 3.38 0.00 -1.26 -4.55 105.19 103.06 1j49 n GLY 155 Ca 0.33 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 1j49 n GLY 155 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1j49 h HIS 156 N 0.00 0.58 -0.09 1.61 3.86 -1.95 -2.58 115.15 116.57 1j49 h HIS 156 Ca 0.00 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 1j49 h HIS 156 Cb 0.00 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1j49 h HIS 156 CO 0.00 0.36 -0.32 0.82 0.86 0.00 0.00 177.93 179.66 1j49 h ILE 157 N 0.62 1.40 -0.67 2.45 2.04 -1.93 -3.09 117.51 118.34 1j49 h ILE 157 Ca 0.17 -1.67 0.07 0.00 1.00 0.00 0.00 64.86 64.42 1j49 h ILE 157 Cb -0.07 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 1j49 h ILE 157 CO -0.04 0.49 0.36 1.23 0.00 0.00 0.00 178.15 180.19 1j49 h GLY 158 N -0.08 0.98 0.93 5.37 0.00 -1.74 -0.75 103.07 107.77 1j49 h GLY 158 Ca -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1j49 h GLY 158 CO 0.07 0.13 0.03 1.46 0.00 0.00 0.00 176.54 178.23 1j49 h GLN 159 N 0.65 0.64 -0.94 4.80 4.20 -1.54 -0.90 115.11 122.01 1j49 h GLN 159 Ca 0.31 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1j49 h GLN 159 Cb 0.22 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1j49 h GLN 159 CO -0.20 0.72 0.62 0.28 -0.67 0.00 0.00 178.83 179.58 1j49 h VAL 160 N 0.47 1.21 -0.77 -0.54 2.07 -1.31 -0.34 116.25 117.03 1j49 h VAL 160 Ca 0.11 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1j49 h VAL 160 Cb 0.41 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1j49 h VAL 160 CO 0.01 0.23 0.30 0.15 0.02 0.00 0.00 177.57 178.28 1j49 h PHE 161 N 1.24 1.19 -0.73 1.57 3.57 -0.92 0.59 116.94 123.45 1j49 h PHE 161 Ca 0.36 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1j49 h PHE 161 Cb -0.08 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.27 1j49 h PHE 161 CO -0.01 0.90 0.39 0.52 -2.23 0.00 0.00 178.31 177.88 1j49 h MET 162 N 1.12 1.02 0.11 1.11 2.86 -0.75 0.21 114.93 120.62 1j49 h MET 162 Ca 0.26 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1j49 h MET 162 Cb 0.22 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1j49 h MET 162 CO -0.02 0.77 -0.24 0.37 1.06 0.00 0.00 176.91 178.85 1j49 h GLN 163 N 1.01 -0.42 -0.31 1.72 4.15 0.46 0.14 115.11 121.86 1j49 h GLN 163 Ca 0.26 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.74 1j49 h GLN 163 Cb 0.05 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1j49 h GLN 163 CO -0.04 -0.28 0.11 0.82 -1.93 0.00 0.00 178.83 177.51 1j49 h ILE 164 N -0.43 0.92 -0.22 2.39 2.04 -0.75 0.36 117.51 121.82 1j49 h ILE 164 Ca 0.03 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 1j49 h ILE 164 Cb 0.46 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1j49 h ILE 164 CO -0.14 0.04 -0.28 0.24 0.00 0.00 0.00 178.15 178.02 1j49 h MET 165 N 0.24 0.42 -0.59 2.37 2.86 -0.68 -1.23 114.93 118.32 1j49 h MET 165 Ca 0.14 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1j49 h MET 165 Cb 0.11 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1j49 h MET 165 CO -0.14 0.66 0.00 1.49 1.06 0.00 0.00 176.91 179.99 1j49 h GLU 166 N 0.37 1.03 -0.93 1.72 4.81 0.15 -1.97 114.58 119.77 1j49 h GLU 166 Ca 0.05 -0.32 0.16 0.00 -0.13 0.00 0.00 59.36 59.12 1j49 h GLU 166 Cb 0.68 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.88 1j49 h GLU 166 CO 0.05 1.01 0.59 0.78 -0.73 0.00 0.00 179.01 180.71 1j49 h GLY 167 N 1.00 1.32 2.00 1.92 0.00 0.25 0.89 103.07 110.45 1j49 h GLY 167 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1j49 h GLY 167 CO 0.03 0.06 0.00 0.74 0.00 0.00 0.00 176.54 177.37 1j49 h PHE 168 N 0.71 0.00 0.00 5.60 0.04 -1.07 -3.46 116.94 118.76 1j49 h PHE 168 Ca 0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.25 1j49 h PHE 168 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1j49 h PHE 168 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1j49 n GLY 169 N -0.01 0.74 3.77 -1.45 0.00 0.31 -4.14 105.19 104.40 1j49 n GLY 169 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1j49 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j49 s ALA 170 N -2.30 2.64 -0.41 4.61 0.00 -0.77 -4.68 121.76 120.84 1j49 s ALA 170 Ca 0.00 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 1j49 s ALA 170 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1j49 s ALA 170 CO 0.00 -0.93 1.20 0.21 0.00 0.00 0.00 175.76 176.25 1j49 s LYS 171 N -3.29 3.78 -0.34 0.00 2.20 -0.94 -4.52 119.74 116.63 1j49 s LYS 171 Ca 0.75 0.82 -0.12 0.00 -0.36 0.00 0.00 55.97 57.05 1j49 s LYS 171 Cb -0.27 -3.90 -0.01 0.00 -1.51 0.00 0.00 37.83 32.15 1j49 s LYS 171 CO 0.29 -1.30 0.22 0.08 -0.36 0.00 0.00 175.35 174.29 1j49 s VAL 172 N 4.49 5.09 0.28 4.02 1.01 -1.26 -0.31 120.40 133.72 1j49 s VAL 172 Ca 0.51 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1j49 s VAL 172 Cb -0.10 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1j49 s VAL 172 CO 0.28 -0.03 0.20 0.27 0.00 0.00 0.00 175.10 175.82 1j49 s ILE 173 N 1.69 4.04 0.22 2.22 -4.36 -0.09 -4.81 121.20 120.11 1j49 s ILE 173 Ca 0.05 -1.46 -0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1j49 s ILE 173 Cb -0.18 -3.27 -0.04 0.00 1.25 0.00 0.00 42.46 40.23 1j49 s ILE 173 CO 0.09 -0.30 0.14 0.42 0.24 0.00 0.00 174.94 175.53 1j49 s THR 174 N -2.21 0.06 -0.29 8.37 -4.23 0.11 -1.51 115.64 115.93 1j49 s THR 174 Ca 0.35 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.73 1j49 s THR 174 Cb -0.07 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.37 1j49 s THR 174 CO 0.25 0.00 0.70 -0.47 -0.54 0.00 0.00 174.62 174.56 1j49 s TYR 175 N -4.06 -1.16 0.03 3.99 6.14 -0.22 -0.80 117.35 121.28 1j49 s TYR 175 Ca 0.39 2.13 -0.16 0.00 0.64 0.00 0.00 57.07 60.07 1j49 s TYR 175 Cb 0.07 0.69 0.03 0.00 0.42 0.00 0.00 41.96 43.17 1j49 s TYR 175 CO 0.13 -0.57 0.35 0.34 0.64 0.00 0.00 175.55 176.44 1j49 s ASP 176 N 2.31 -0.19 0.10 4.32 -1.08 -1.26 -0.40 116.67 120.46 1j49 s ASP 176 Ca -0.07 -0.08 -0.06 0.00 -0.52 0.00 0.00 52.55 51.82 1j49 s ASP 176 Cb -0.08 0.38 -0.18 0.00 -1.46 0.00 0.00 42.92 41.58 1j49 s ASP 176 CO -0.19 -0.61 1.23 0.40 0.52 0.00 0.00 175.17 176.52 1j49 h ILE 177 N 3.23 1.40 -3.70 4.11 2.04 -2.00 -3.40 117.51 119.19 1j49 h ILE 177 Ca -0.31 -2.60 -0.69 0.00 1.00 0.00 0.00 64.86 62.26 1j49 h ILE 177 Cb 1.20 2.59 -0.30 0.00 -0.74 0.00 0.00 36.82 39.57 1j49 h ILE 177 CO 0.44 0.77 -0.63 -0.36 0.00 0.00 0.00 178.15 178.38 1j49 s PHE 178 N -3.07 3.26 -0.26 1.37 0.08 -1.26 -5.06 117.98 113.03 1j49 s PHE 178 Ca -0.06 -1.53 -0.29 0.00 0.12 0.00 0.00 56.93 55.17 1j49 s PHE 178 Cb 0.08 -2.23 0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1j49 s PHE 178 CO 0.88 -0.75 1.08 1.03 -0.10 0.00 0.00 175.22 177.37 1j49 s ARG 179 N 1.37 4.17 0.06 0.44 0.52 -1.26 -4.94 118.95 119.31 1j49 s ARG 179 Ca -0.03 1.27 -0.31 0.00 -0.52 0.00 0.00 55.73 56.15 1j49 s ARG 179 Cb -0.20 -3.69 -0.08 0.00 0.52 0.00 0.00 34.95 31.50 1j49 s ARG 179 CO 0.02 -0.76 1.60 1.21 0.02 0.00 0.00 175.30 177.40 1j49 s ASN 180 N 1.49 6.64 0.27 0.23 3.84 -1.26 -4.88 114.94 121.27 1j49 s ASN 180 Ca 0.46 2.43 -0.03 0.00 0.21 0.00 0.00 52.86 55.93 1j49 s ASN 180 Cb -0.14 -2.56 0.40 0.00 -0.55 0.00 0.00 41.25 38.39 1j49 s ASN 180 CO 0.11 -0.85 1.91 1.55 -2.79 0.00 0.00 177.10 177.02 1j49 h PRO 181 N 8.15 1.16 0.23 0.43 0.13 -1.97 0.76 132.00 140.89 1j49 h PRO 181 Ca -0.42 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j49 h PRO 181 Cb 1.20 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 1j49 h PRO 181 CO 0.92 0.77 -0.24 1.49 -0.23 0.00 0.00 178.00 180.71 1j49 h GLU 182 N 1.20 -0.50 -0.40 0.86 4.81 -2.00 0.68 114.58 119.23 1j49 h GLU 182 Ca 0.40 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 1j49 h GLU 182 Cb 0.06 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1j49 h GLU 182 CO -0.13 -0.33 0.16 -0.07 -0.73 0.00 0.00 179.01 177.90 1j49 h LEU 183 N -0.52 0.51 -0.39 1.64 3.38 -1.88 -1.92 115.31 116.13 1j49 h LEU 183 Ca -0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1j49 h LEU 183 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1j49 h LEU 183 CO -0.06 0.47 0.10 -0.08 0.09 0.00 0.00 178.44 178.96 1j49 h GLU 184 N 0.56 0.62 -0.38 1.13 4.57 0.14 -1.98 114.58 119.25 1j49 h GLU 184 Ca 0.14 -0.15 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1j49 h GLU 184 Cb 0.12 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.54 1j49 h GLU 184 CO -0.01 0.65 -0.18 0.87 -1.18 0.00 0.00 179.01 179.15 1j49 h LYS 185 N 0.49 -0.11 -0.12 1.92 1.57 0.11 -1.56 116.57 118.87 1j49 h LYS 185 Ca 0.12 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1j49 h LYS 185 Cb 0.30 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1j49 h LYS 185 CO 0.00 -0.07 0.12 0.87 -0.57 0.00 0.00 179.45 179.80 1j49 h LYS 186 N -0.11 0.00 0.00 3.15 1.57 -0.94 -3.46 116.57 116.77 1j49 h LYS 186 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1j49 h LYS 186 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1j49 h LYS 186 CO -0.45 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.84 1j49 n GLY 187 N -1.41 0.77 0.22 3.86 0.00 -0.59 -5.00 105.19 103.05 1j49 n GLY 187 Ca -0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1j49 n GLY 187 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1j49 h TYR 188 N 0.00 0.99 -3.96 1.61 0.05 -1.79 -3.46 116.97 110.40 1j49 h TYR 188 Ca 0.00 -0.39 -0.53 0.00 0.05 0.00 0.00 58.73 57.87 1j49 h TYR 188 Cb 0.00 -0.17 0.09 0.00 1.01 0.00 0.00 36.73 37.65 1j49 h TYR 188 CO 0.00 1.20 0.59 0.71 -1.05 0.00 0.00 178.16 179.61 1j49 s TYR 189 N -3.95 2.77 0.26 4.88 2.02 -1.26 0.07 117.35 122.14 1j49 s TYR 189 Ca -0.11 1.42 0.09 0.00 -0.37 0.00 0.00 57.07 58.11 1j49 s TYR 189 Cb 0.08 -3.64 -0.04 0.00 -0.40 0.00 0.00 41.96 37.96 1j49 s TYR 189 CO 0.88 -2.09 -0.01 0.14 -1.57 0.00 0.00 175.55 172.90 1j49 s VAL 190 N -1.31 3.45 -0.01 0.71 -7.23 0.02 -4.78 120.40 111.27 1j49 s VAL 190 Ca 0.59 -1.88 -0.22 0.00 -1.81 0.00 0.00 61.98 58.66 1j49 s VAL 190 Cb -0.37 -2.84 -0.21 0.00 0.56 0.00 0.00 36.38 33.53 1j49 s VAL 190 CO 0.47 -0.35 1.15 0.44 -0.31 0.00 0.00 175.10 176.49 1j49 h ASP 191 N 1.96 0.36 -4.21 4.85 3.32 -1.97 -3.44 116.42 117.30 1j49 h ASP 191 Ca -0.44 -0.68 -0.62 0.00 0.02 0.00 0.00 57.03 55.31 1j49 h ASP 191 Cb 1.25 -0.11 -0.25 0.00 0.22 0.00 0.00 39.33 40.44 1j49 h ASP 191 CO 0.60 0.98 -0.85 -0.94 -1.72 0.00 0.00 179.24 177.31 1j49 s SER 192 N -6.38 2.80 0.53 6.45 1.04 -1.26 -4.99 113.70 111.89 1j49 s SER 192 Ca -0.15 -0.61 0.40 0.00 0.48 0.00 0.00 55.95 56.08 1j49 s SER 192 Cb 0.03 -0.22 1.58 0.00 0.10 0.00 0.00 66.02 67.51 1j49 s SER 192 CO 0.77 0.17 1.71 0.25 0.98 0.00 0.00 173.24 177.12 1j49 h LEU 193 N 4.55 0.05 -1.05 2.42 5.85 -1.97 1.59 115.31 126.75 1j49 h LEU 193 Ca -0.46 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 1j49 h LEU 193 Cb 1.16 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1j49 h LEU 193 CO 0.42 -0.01 -0.47 0.44 -0.34 0.00 0.00 178.44 178.48 1j49 h ASP 194 N 0.03 0.00 0.09 1.25 3.32 -1.99 -1.10 116.42 118.02 1j49 h ASP 194 Ca 0.71 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.63 1j49 h ASP 194 Cb 2.75 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 42.29 1j49 h ASP 194 CO -0.06 0.47 -0.46 0.44 -1.72 0.00 0.00 179.24 177.90 1j49 h ASP 195 N 0.00 0.47 0.41 6.45 3.32 0.19 -2.40 116.42 124.86 1j49 h ASP 195 Ca -0.00 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1j49 h ASP 195 Cb 0.84 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1j49 h ASP 195 CO 0.06 0.87 -0.20 0.25 -1.72 0.00 0.00 179.24 178.50 1j49 h LEU 196 N 0.35 -0.47 -1.45 1.55 5.85 -0.97 -2.43 115.31 117.74 1j49 h LEU 196 Ca 0.02 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.78 1j49 h LEU 196 Cb 0.95 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1j49 h LEU 196 CO 0.08 -0.16 0.52 1.88 -0.34 0.00 0.00 178.44 180.42 1j49 h TYR 197 N -0.78 0.64 0.00 1.25 0.05 -1.29 0.15 116.97 116.99 1j49 h TYR 197 Ca -0.06 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 1j49 h TYR 197 Cb 0.53 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1j49 h TYR 197 CO 0.00 0.26 -0.28 -0.22 -1.05 0.00 0.00 178.16 176.87 1j49 h LYS 198 N 0.57 0.00 0.00 4.88 3.64 -1.24 -3.19 116.57 121.22 1j49 h LYS 198 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1j49 h LYS 198 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1j49 h LYS 198 CO -0.14 0.28 -0.43 0.00 -2.27 0.00 0.00 179.45 176.88 1j49 n GLN 199 N -3.21 4.33 -3.11 1.90 10.64 0.34 -4.67 117.38 123.60 1j49 n GLN 199 Ca 0.02 -0.01 -0.39 0.00 -1.83 0.00 0.00 57.00 54.79 1j49 n GLN 199 Cb 0.60 -0.82 -0.05 0.00 -0.86 0.00 0.00 30.24 29.11 1j49 n GLN 199 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1j49 s ALA 200 N -1.66 3.42 0.07 2.61 0.00 -0.11 -4.72 121.76 121.36 1j49 s ALA 200 Ca 0.01 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.18 1j49 s ALA 200 Cb 0.04 -2.86 -0.18 0.00 0.00 0.00 0.00 23.12 20.12 1j49 s ALA 200 CO 0.22 0.07 1.22 -0.44 0.00 0.00 0.00 175.76 176.83 1j49 h ASP 201 N 5.96 0.00 -3.31 0.00 3.32 -0.66 -3.40 116.42 118.33 1j49 h ASP 201 Ca -0.44 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.12 1j49 h ASP 201 Cb 1.20 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.39 1j49 h ASP 201 CO 0.72 0.94 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.69 1j49 s VAL 202 N -2.73 0.88 -0.11 -1.35 1.01 -1.04 -0.97 120.40 116.09 1j49 s VAL 202 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1j49 s VAL 202 Cb 0.09 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1j49 s VAL 202 CO 0.81 0.32 -0.18 -0.63 0.00 0.00 0.00 175.10 175.43 1j49 s ILE 203 N 1.31 2.63 -0.02 2.22 1.01 -0.03 0.42 121.20 128.75 1j49 s ILE 203 Ca -0.03 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.86 1j49 s ILE 203 Cb -0.14 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 1j49 s ILE 203 CO -0.03 0.54 -0.21 -0.55 0.00 0.00 0.00 174.94 174.70 1j49 s SER 204 N 0.24 2.46 -0.17 3.58 0.15 -0.76 -0.28 113.70 118.92 1j49 s SER 204 Ca -0.12 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.10 1j49 s SER 204 Cb -0.16 -0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 63.82 1j49 s SER 204 CO 0.06 0.25 -0.00 -0.76 1.20 0.00 0.00 173.24 174.00 1j49 s LEU 205 N -0.47 3.42 -0.40 3.45 1.43 -0.81 -2.30 118.68 123.00 1j49 s LEU 205 Ca 0.07 -0.08 0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1j49 s LEU 205 Cb -0.08 -1.84 0.40 0.00 0.03 0.00 0.00 46.19 44.70 1j49 s LEU 205 CO -0.01 0.16 0.91 1.41 0.23 0.00 0.00 176.35 179.05 1j49 n HIS 206 N 3.63 1.72 -4.35 0.29 8.25 0.99 -3.96 115.22 121.79 1j49 n HIS 206 Ca -0.17 -3.35 -0.21 0.00 -0.26 0.00 0.00 57.72 53.74 1j49 n HIS 206 Cb 0.52 -0.35 -0.13 0.00 1.12 0.00 0.00 29.99 31.15 1j49 n HIS 206 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j49 s VAL 207 N -3.56 1.21 0.70 1.59 1.01 -1.25 -4.40 120.40 115.69 1j49 s VAL 207 Ca 0.38 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1j49 s VAL 207 Cb 0.39 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1j49 s VAL 207 CO -0.07 -0.02 1.07 -2.16 0.00 0.00 0.00 175.10 173.93 1j49 s PRO 208 N -1.30 2.81 0.00 2.72 0.05 -1.26 -4.53 135.00 133.50 1j49 s PRO 208 Ca 0.02 1.08 0.00 0.00 0.05 0.00 0.00 61.00 62.15 1j49 s PRO 208 Cb -0.08 -1.97 0.00 0.00 0.05 0.00 0.00 34.50 32.50 1j49 s PRO 208 CO 0.02 -1.20 1.05 -3.47 0.05 0.00 0.00 177.00 173.44 1j49 n ASP 209 N -2.99 2.84 -4.76 6.66 -0.08 -1.26 -4.79 116.55 112.16 1j49 n ASP 209 Ca 0.08 -1.69 -0.40 0.00 -1.51 0.00 0.00 54.79 51.28 1j49 n ASP 209 Cb 0.53 -0.58 -0.06 0.00 2.34 0.00 0.00 41.12 43.35 1j49 n ASP 209 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1j49 s VAL 210 N 0.75 4.24 0.47 5.18 0.11 -1.26 -4.84 120.40 125.05 1j49 s VAL 210 Ca 0.00 1.87 0.36 0.00 -2.93 0.00 0.00 61.98 61.28 1j49 s VAL 210 Cb 0.00 -4.22 0.55 0.00 -1.53 0.00 0.00 36.38 31.18 1j49 s VAL 210 CO 0.00 0.51 1.59 -0.65 -3.33 0.00 0.00 175.10 173.22 1j49 h PRO 211 N 4.27 0.02 0.00 1.54 0.11 -1.96 2.82 132.00 138.80 1j49 h PRO 211 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1j49 h PRO 211 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1j49 h PRO 211 CO 0.67 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 1j49 n ALA 212 N -2.61 2.04 0.28 -0.75 0.00 -1.26 -2.95 120.51 115.25 1j49 n ALA 212 Ca 0.40 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.82 1j49 n ALA 212 Cb 1.64 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.65 1j49 n ALA 212 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j49 n ASN 213 N -1.56 1.35 -4.61 0.00 3.02 0.94 -4.85 115.26 109.55 1j49 n ASN 213 Ca 0.05 -0.44 -0.51 0.00 -0.03 0.00 0.00 54.58 53.66 1j49 n ASN 213 Cb 0.27 1.19 -0.06 0.00 -0.61 0.00 0.00 39.78 40.57 1j49 n ASN 213 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1j49 n VAL 214 N -1.48 0.02 -2.51 2.41 0.31 -0.76 0.68 118.33 116.99 1j49 n VAL 214 Ca 0.00 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1j49 n VAL 214 Cb 0.20 -1.01 -0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1j49 n VAL 214 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1j49 n HIS 215 N 2.86 -1.42 0.31 3.52 8.25 0.27 -4.79 115.22 124.22 1j49 n HIS 215 Ca 0.18 0.04 0.18 0.00 -0.26 0.00 0.00 57.72 57.86 1j49 n HIS 215 Cb 0.21 -2.92 1.01 0.00 1.12 0.00 0.00 29.99 29.42 1j49 n HIS 215 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j49 h MET 216 N -0.10 0.00 -4.78 -0.41 3.00 0.84 -3.31 114.93 110.17 1j49 h MET 216 Ca -0.32 0.00 -0.70 0.00 0.00 0.00 0.00 59.70 58.68 1j49 h MET 216 Cb 1.24 0.00 -0.19 0.00 0.00 0.00 0.00 31.60 32.65 1j49 h MET 216 CO 0.38 0.00 -0.20 0.42 0.00 0.00 0.00 176.91 177.51 1j49 s ILE 217 N -4.47 5.09 0.15 -0.10 -1.09 -0.81 -4.64 121.20 115.33 1j49 s ILE 217 Ca -0.05 -0.49 -0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1j49 s ILE 217 Cb 0.14 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1j49 s ILE 217 CO 0.50 -0.49 0.19 -0.46 -1.23 0.00 0.00 174.94 173.45 1j49 n ASN 218 N 5.60 -0.53 -0.27 3.58 0.23 -1.25 -1.38 115.26 121.25 1j49 n ASN 218 Ca -0.08 -1.82 0.08 0.00 -0.53 0.00 0.00 54.58 52.23 1j49 n ASN 218 Cb 0.47 1.01 0.32 0.00 -2.08 0.00 0.00 39.78 39.49 1j49 n ASN 218 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1j49 h ASP 219 N 0.83 0.76 -0.08 0.53 3.32 -1.92 0.26 116.42 120.11 1j49 h ASP 219 Ca -0.11 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.75 1j49 h ASP 219 Cb 0.50 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.92 1j49 h ASP 219 CO 0.15 0.44 -0.75 -0.33 -1.72 0.00 0.00 179.24 177.04 1j49 h GLU 220 N 0.83 0.73 -0.08 3.56 5.08 -1.96 -1.67 114.58 121.08 1j49 h GLU 220 Ca 0.41 -0.58 -0.19 0.00 -1.00 0.00 0.00 59.36 58.00 1j49 h GLU 220 Cb 0.45 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1j49 h GLU 220 CO -0.17 1.19 -0.76 0.66 -1.00 0.00 0.00 179.01 178.94 1j49 h SER 221 N 0.50 0.52 -0.45 1.42 4.64 -1.54 -3.11 113.55 115.53 1j49 h SER 221 Ca -0.04 -0.35 -0.06 0.00 -0.47 0.00 0.00 61.79 60.87 1j49 h SER 221 Cb 1.36 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1j49 h SER 221 CO 0.15 1.10 0.07 0.40 -0.87 0.00 0.00 176.83 177.68 1j49 h ILE 222 N 0.29 1.23 0.00 0.95 2.04 -0.52 -0.18 117.51 121.33 1j49 h ILE 222 Ca -0.04 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1j49 h ILE 222 Cb 1.34 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1j49 h ILE 222 CO 0.13 0.33 -0.12 0.00 0.00 0.00 0.00 178.15 178.49 1j49 h ALA 223 N 1.30 1.22 0.00 1.87 0.00 -1.25 -0.92 119.26 121.48 1j49 h ALA 223 Ca 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1j49 h ALA 223 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1j49 h ALA 223 CO 0.01 0.15 -0.18 0.87 0.00 0.00 0.00 179.25 180.09 1j49 h LYS 224 N 0.00 0.00 -7.38 0.00 1.79 -0.97 -3.47 116.57 106.54 1j49 h LYS 224 Ca -0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 1j49 h LYS 224 Cb 0.37 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.14 1j49 h LYS 224 CO 0.02 0.18 0.32 -1.64 -1.08 0.00 0.00 179.45 177.25 1j49 s MET 225 N -3.40 1.98 0.53 3.15 -1.94 -0.35 -4.10 119.30 115.16 1j49 s MET 225 Ca 0.03 0.74 -0.20 0.00 -1.71 0.00 0.00 55.69 54.54 1j49 s MET 225 Cb 0.08 -1.90 -0.06 0.00 2.01 0.00 0.00 34.83 34.97 1j49 s MET 225 CO 0.65 -1.72 1.17 0.15 -0.01 0.00 0.00 175.02 175.26 1j49 s LYS 226 N -5.08 3.37 0.34 2.03 1.02 -1.21 -4.97 119.74 115.25 1j49 s LYS 226 Ca 0.61 1.75 -0.28 0.00 0.02 0.00 0.00 55.97 58.07 1j49 s LYS 226 Cb -0.15 -2.12 -0.12 0.00 -0.52 0.00 0.00 37.83 34.91 1j49 s LYS 226 CO 0.55 -0.87 1.37 0.94 -0.92 0.00 0.00 175.35 176.42 1j49 n GLN 227 N -1.11 2.30 -1.91 1.68 -0.06 -1.26 -2.35 117.38 114.67 1j49 n GLN 227 Ca 0.11 0.81 -0.11 0.00 -2.00 0.00 0.00 57.00 55.80 1j49 n GLN 227 Cb 0.49 -2.44 -0.02 0.00 -4.06 0.00 0.00 30.24 24.21 1j49 n GLN 227 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1j49 n ASP 228 N 0.88 -3.85 -4.75 1.69 8.00 0.44 -4.99 116.55 113.96 1j49 n ASP 228 Ca 0.05 0.09 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 1j49 n ASP 228 Cb 0.36 -2.83 0.04 0.00 -0.02 0.00 0.00 41.12 38.67 1j49 n ASP 228 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1j49 s VAL 229 N -2.50 2.75 -0.16 2.53 0.11 -0.99 -4.21 120.40 117.92 1j49 s VAL 229 Ca 0.00 0.43 -0.00 0.00 -2.93 0.00 0.00 61.98 59.48 1j49 s VAL 229 Cb 0.00 -3.09 -0.00 0.00 -1.53 0.00 0.00 36.38 31.76 1j49 s VAL 229 CO 0.00 -0.14 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.80 1j49 s VAL 230 N -1.81 2.74 -0.09 2.04 1.01 -0.14 0.11 120.40 124.26 1j49 s VAL 230 Ca 0.74 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1j49 s VAL 230 Cb -0.28 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1j49 s VAL 230 CO 0.36 0.51 -0.12 -0.63 0.00 0.00 0.00 175.10 175.22 1j49 s ILE 231 N 0.81 3.26 -0.07 2.22 1.01 -0.64 -0.85 121.20 126.94 1j49 s ILE 231 Ca -0.05 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.02 1j49 s ILE 231 Cb -0.15 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 1j49 s ILE 231 CO 0.00 0.56 -0.21 -0.69 0.00 0.00 0.00 174.94 174.60 1j49 s VAL 232 N -0.33 2.39 -0.22 2.92 1.01 0.62 -1.08 120.40 125.72 1j49 s VAL 232 Ca 0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1j49 s VAL 232 Cb -0.13 -1.91 0.07 0.00 0.00 0.00 0.00 36.38 34.42 1j49 s VAL 232 CO 0.02 0.57 0.08 0.21 0.00 0.00 0.00 175.10 175.98 1j49 s ASN 233 N -0.17 2.98 -0.04 3.32 2.47 0.09 -1.92 114.94 121.67 1j49 s ASN 233 Ca -0.02 -0.95 0.07 0.00 0.42 0.00 0.00 52.86 52.38 1j49 s ASN 233 Cb -0.14 -0.45 0.12 0.00 -1.45 0.00 0.00 41.25 39.34 1j49 s ASN 233 CO 0.04 -0.36 1.07 1.33 -3.72 0.00 0.00 177.10 175.46 1j49 n VAL 234 N 5.15 1.30 0.00 -5.21 0.24 -1.26 -1.43 118.33 117.12 1j49 n VAL 234 Ca -0.07 -1.40 0.00 0.00 -2.04 0.00 0.00 64.34 60.83 1j49 n VAL 234 Cb 0.46 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1j49 n VAL 234 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1j49 n SER 235 N -0.71 0.00 -3.86 -1.34 7.64 -1.25 -4.85 113.62 109.24 1j49 n SER 235 Ca 0.06 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.80 1j49 n SER 235 Cb 0.40 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.45 1j49 n SER 235 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1j49 s ARG 236 N 0.00 0.15 0.21 1.43 1.81 -1.26 -4.95 118.95 116.34 1j49 s ARG 236 Ca 0.00 0.00 -0.20 0.00 -1.72 0.00 0.00 55.73 53.81 1j49 s ARG 236 Cb 0.00 -0.23 0.17 0.00 -0.45 0.00 0.00 34.95 34.44 1j49 s ARG 236 CO 0.00 -0.03 1.56 0.78 -0.68 0.00 0.00 175.30 176.93 1j49 h GLY 237 N 6.52 -0.10 1.40 -3.53 0.00 -1.80 -1.82 103.07 103.75 1j49 h GLY 237 Ca -0.32 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1j49 h GLY 237 CO 0.50 -0.18 0.00 -1.05 0.00 0.00 0.00 176.54 175.81 1j49 n PRO 238 N -5.44 0.36 0.20 4.80 -0.02 -1.26 -1.88 135.00 131.76 1j49 n PRO 238 Ca 0.07 0.08 0.05 0.00 -2.02 0.00 0.00 63.50 61.68 1j49 n PRO 238 Cb 0.37 -1.50 0.49 0.00 -0.02 0.00 0.00 33.50 32.84 1j49 n PRO 238 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1j49 h LEU 239 N 0.00 0.05 -8.71 2.45 3.38 -1.58 0.79 115.31 111.68 1j49 h LEU 239 Ca 0.00 -0.01 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1j49 h LEU 239 Cb 0.12 -0.01 -0.25 0.00 0.09 0.00 0.00 40.66 40.60 1j49 h LEU 239 CO 0.00 0.21 -0.76 -0.69 0.09 0.00 0.00 178.44 177.29 1j49 s VAL 240 N -4.70 3.11 -0.67 1.22 1.01 -0.79 -1.91 120.40 117.67 1j49 s VAL 240 Ca -0.04 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1j49 s VAL 240 Cb 0.16 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.29 1j49 s VAL 240 CO 0.70 0.54 1.19 -0.62 0.00 0.00 0.00 175.10 176.92 1j49 s ASP 241 N 0.04 6.26 0.23 3.32 -1.08 -0.48 -4.75 116.67 120.21 1j49 s ASP 241 Ca -0.04 -0.35 -0.06 0.00 -0.52 0.00 0.00 52.55 51.58 1j49 s ASP 241 Cb -0.14 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.11 1j49 s ASP 241 CO 0.04 -1.64 1.83 0.74 0.52 0.00 0.00 175.17 176.66 1j49 h THR 242 N 6.06 0.98 -0.38 1.71 2.02 -1.92 -2.20 112.91 119.18 1j49 h THR 242 Ca -0.27 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1j49 h THR 242 Cb 1.06 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1j49 h THR 242 CO 1.23 0.15 0.18 0.44 0.37 0.00 0.00 175.52 177.89 1j49 h ASP 243 N 0.84 0.46 0.47 4.18 3.32 -1.98 0.18 116.42 123.90 1j49 h ASP 243 Ca 0.36 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.25 1j49 h ASP 243 Cb 0.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1j49 h ASP 243 CO -0.20 0.39 -0.59 0.00 -1.72 0.00 0.00 179.24 177.13 1j49 h ALA 244 N 1.68 0.95 -0.29 3.45 0.00 -1.77 -1.06 119.26 122.22 1j49 h ALA 244 Ca 0.13 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 1j49 h ALA 244 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1j49 h ALA 244 CO -0.02 0.73 -0.56 0.28 0.00 0.00 0.00 179.25 179.68 1j49 h VAL 245 N 0.09 1.27 -0.88 0.00 2.07 -0.51 0.84 116.25 119.14 1j49 h VAL 245 Ca -0.01 -1.74 0.06 0.00 0.82 0.00 0.00 66.70 65.84 1j49 h VAL 245 Cb 1.07 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.41 1j49 h VAL 245 CO 0.08 0.57 0.55 0.40 0.02 0.00 0.00 177.57 179.19 1j49 h ILE 246 N 0.67 1.05 -0.18 4.57 2.04 -0.62 0.63 117.51 125.67 1j49 h ILE 246 Ca 0.01 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1j49 h ILE 246 Cb 1.17 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1j49 h ILE 246 CO 0.12 0.18 0.12 0.03 0.00 0.00 0.00 178.15 178.60 1j49 h ARG 247 N 1.00 0.23 -0.68 2.37 3.08 -1.05 0.39 114.38 119.72 1j49 h ARG 247 Ca 0.38 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.44 1j49 h ARG 247 Cb 0.16 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1j49 h ARG 247 CO -0.17 0.15 0.43 0.78 -1.07 0.00 0.00 179.97 180.10 1j49 h GLY 248 N 0.24 0.98 1.02 0.04 0.00 0.98 0.11 103.07 106.44 1j49 h GLY 248 Ca 0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1j49 h GLY 248 CO -0.02 0.29 0.14 1.41 0.00 0.00 0.00 176.54 178.37 1j49 h LEU 249 N 0.85 0.91 -0.88 3.11 3.38 0.11 -2.00 115.31 120.78 1j49 h LEU 249 Ca 0.27 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1j49 h LEU 249 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1j49 h LEU 249 CO -0.09 0.91 -0.33 0.44 0.09 0.00 0.00 178.44 179.45 1j49 h ASP 250 N 0.87 0.44 0.40 -0.43 3.32 0.35 -2.35 116.42 119.01 1j49 h ASP 250 Ca 0.19 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1j49 h ASP 250 Cb 0.35 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1j49 h ASP 250 CO 0.00 0.75 -0.03 -1.54 -1.72 0.00 0.00 179.24 176.70 1j49 n SER 251 N -4.07 0.16 0.00 6.45 3.41 -0.03 -4.88 113.62 114.66 1j49 n SER 251 Ca -0.01 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1j49 n SER 251 Cb 0.45 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1j49 n SER 251 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j49 n GLY 252 N 1.23 0.48 0.12 5.00 0.00 -0.89 -4.94 105.19 106.19 1j49 n GLY 252 Ca 0.16 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1j49 n GLY 252 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j49 h LYS 253 N 0.79 0.33 -6.10 1.61 1.63 -1.62 -3.41 116.57 109.79 1j49 h LYS 253 Ca 0.00 -0.56 -0.58 0.00 -0.85 0.00 0.00 60.65 58.65 1j49 h LYS 253 Cb 0.00 0.21 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 1j49 h LYS 253 CO 0.00 1.27 0.73 0.42 -3.45 0.00 0.00 179.45 178.42 1j49 s ILE 254 N -2.47 4.64 0.11 2.00 -1.09 -0.84 -0.42 121.20 123.13 1j49 s ILE 254 Ca -0.14 1.73 -0.16 0.00 -2.23 0.00 0.00 60.65 59.85 1j49 s ILE 254 Cb 0.02 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 1j49 s ILE 254 CO 0.84 -0.31 1.52 0.15 -1.23 0.00 0.00 174.94 175.91 1j49 h PHE 255 N 7.86 0.72 -2.15 3.97 3.57 0.55 -3.40 116.94 128.05 1j49 h PHE 255 Ca -0.21 -0.15 0.17 0.00 3.53 0.00 0.00 57.97 61.32 1j49 h PHE 255 Cb 1.07 -0.18 -0.12 0.00 2.79 0.00 0.00 35.95 39.51 1j49 h PHE 255 CO 0.79 0.79 0.55 0.20 -2.23 0.00 0.00 178.31 178.41 1j49 s GLY 256 N -3.36 -0.36 -0.04 2.40 0.00 -1.22 -4.86 107.32 99.89 1j49 s GLY 256 Ca -0.13 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.28 1j49 s GLY 256 CO 0.79 0.20 -0.04 -0.47 0.00 0.00 0.00 173.10 173.58 1j49 s TYR 257 N -3.06 0.65 -0.18 1.90 5.04 -0.70 -1.63 117.35 119.37 1j49 s TYR 257 Ca 0.09 -0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 54.55 1j49 s TYR 257 Cb -0.01 -0.59 0.00 0.00 0.35 0.00 0.00 41.96 41.72 1j49 s TYR 257 CO -0.04 -0.16 -0.12 0.00 -1.34 0.00 0.00 175.55 173.89 1j49 s ALA 258 N 0.84 2.59 -0.04 3.97 0.00 -0.24 -0.93 121.76 127.95 1j49 s ALA 258 Ca -0.11 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.75 1j49 s ALA 258 Cb -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1j49 s ALA 258 CO -0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 175.76 175.43 1j49 s MET 259 N 1.15 1.11 0.00 0.00 0.23 0.14 -0.73 119.30 121.20 1j49 s MET 259 Ca 0.01 -0.29 0.15 0.00 -1.03 0.00 0.00 55.69 54.53 1j49 s MET 259 Cb -0.14 -1.01 -0.12 0.00 -1.53 0.00 0.00 34.83 32.03 1j49 s MET 259 CO -0.04 0.05 0.67 -3.47 -2.03 0.00 0.00 175.02 170.20 1j49 n ASP 260 N 3.58 0.90 -4.03 -1.18 2.03 -0.51 -2.14 116.55 115.19 1j49 n ASP 260 Ca -0.21 -0.95 -0.09 0.00 0.52 0.00 0.00 54.79 54.06 1j49 n ASP 260 Cb 0.53 0.88 -0.11 0.00 -0.72 0.00 0.00 41.12 41.70 1j49 n ASP 260 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1j49 s VAL 261 N -2.25 0.20 -0.11 5.18 -7.23 -1.25 0.31 120.40 115.26 1j49 s VAL 261 Ca 0.07 -1.23 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 1j49 s VAL 261 Cb 0.11 -0.72 0.03 0.00 0.56 0.00 0.00 36.38 36.37 1j49 s VAL 261 CO 0.55 -0.65 0.28 -0.47 -0.31 0.00 0.00 175.10 174.50 1j49 s TYR 262 N -2.26 -0.33 0.65 2.82 5.04 -1.26 -4.54 117.35 117.47 1j49 s TYR 262 Ca -0.08 0.79 0.41 0.00 -2.44 0.00 0.00 57.07 55.75 1j49 s TYR 262 Cb -0.04 0.10 2.29 0.00 0.35 0.00 0.00 41.96 44.66 1j49 s TYR 262 CO -0.04 -0.18 2.35 1.05 -1.34 0.00 0.00 175.55 177.39 1j49 h GLU 263 N 6.11 0.00 -0.62 4.97 4.11 -1.87 -0.38 114.58 126.90 1j49 h GLU 263 Ca -0.30 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 58.75 1j49 h GLU 263 Cb 1.18 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.20 1j49 h GLU 263 CO 0.34 0.00 0.02 0.41 0.07 0.00 0.00 179.01 179.85 1j49 n GLY 264 N -1.14 5.35 0.13 1.06 0.00 -1.26 -4.72 105.19 104.62 1j49 n GLY 264 Ca -0.03 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 1j49 n GLY 264 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1j49 h GLU 265 N 1.42 0.06 -6.20 1.61 4.11 -1.48 -3.41 114.58 110.69 1j49 h GLU 265 Ca 0.37 -0.05 -0.56 0.00 0.07 0.00 0.00 59.36 59.19 1j49 h GLU 265 Cb 1.62 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.89 1j49 h GLU 265 CO 0.77 0.72 1.34 0.28 0.07 0.00 0.00 179.01 182.19 1j49 n VAL 266 N -3.75 0.59 -0.00 -1.06 0.31 -1.26 0.25 118.33 113.41 1j49 n VAL 266 Ca -0.01 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1j49 n VAL 266 Cb 0.68 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1j49 n VAL 266 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j49 n GLY 267 N 5.06 0.14 0.62 2.92 0.00 -1.26 -4.87 105.19 107.80 1j49 n GLY 267 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.23 1j49 n GLY 267 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j49 n ILE 268 N -2.00 1.20 -1.71 -0.61 2.08 0.14 -4.92 119.36 113.54 1j49 n ILE 268 Ca 0.00 0.28 -0.39 0.00 0.56 0.00 0.00 62.75 63.20 1j49 n ILE 268 Cb 0.00 -1.85 0.04 0.00 -0.75 0.00 0.00 39.64 37.08 1j49 n ILE 268 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 1j49 n PHE 269 N -3.77 2.04 -2.31 1.39 3.01 -0.13 -3.10 117.46 114.60 1j49 n PHE 269 Ca -0.06 0.45 -0.10 0.00 1.01 0.00 0.00 57.45 58.76 1j49 n PHE 269 Cb 0.20 -2.33 0.00 0.00 -0.01 0.00 0.00 39.48 37.34 1j49 n PHE 269 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1j49 n ASN 270 N -0.64 -3.34 -4.04 4.37 5.15 -1.26 -4.91 115.26 110.59 1j49 n ASN 270 Ca 0.10 -0.05 -0.16 0.00 -0.60 0.00 0.00 54.58 53.87 1j49 n ASN 270 Cb 0.44 -2.50 -0.13 0.00 -0.53 0.00 0.00 39.78 37.06 1j49 n ASN 270 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1j49 s GLU 271 N -4.65 0.59 -0.43 1.20 0.41 -1.18 -5.10 118.70 109.53 1j49 s GLU 271 Ca 0.04 -0.53 -0.25 0.00 -0.41 0.00 0.00 54.97 53.83 1j49 s GLU 271 Cb -0.02 -0.50 0.02 0.00 -1.78 0.00 0.00 34.13 31.86 1j49 s GLU 271 CO 0.05 0.12 0.88 0.34 -0.49 0.00 0.00 175.26 176.16 1j49 s ASP 272 N -0.89 6.52 -0.16 -0.19 -1.08 -1.26 -4.89 116.67 114.72 1j49 s ASP 272 Ca -0.03 0.18 0.16 0.00 -0.52 0.00 0.00 52.55 52.34 1j49 s ASP 272 Cb -0.06 -2.43 0.66 0.00 -1.46 0.00 0.00 42.92 39.63 1j49 s ASP 272 CO 0.00 -0.95 1.58 0.79 0.52 0.00 0.00 175.17 177.11 1j49 n TRP 273 N 6.92 1.42 -2.00 -5.34 7.02 -1.26 -4.96 117.44 119.24 1j49 n TRP 273 Ca 0.05 -0.71 -0.40 0.00 -1.02 0.00 0.00 57.50 55.42 1j49 n TRP 273 Cb 0.48 -0.32 -0.01 0.00 -2.42 0.00 0.00 31.31 29.04 1j49 n TRP 273 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1j49 s GLU 274 N -2.31 4.07 -1.73 -0.99 2.12 -1.26 -1.56 118.70 117.03 1j49 s GLU 274 Ca 0.47 2.27 0.00 0.00 0.36 0.00 0.00 54.97 58.08 1j49 s GLU 274 Cb 0.34 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.86 1j49 s GLU 274 CO 0.17 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 1j49 n GLY 275 N 0.66 1.57 3.44 -1.50 0.00 -1.26 -4.95 105.19 103.15 1j49 n GLY 275 Ca 0.02 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1j49 n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j49 s LYS 276 N -3.37 1.65 -0.43 1.61 1.02 -0.60 -5.09 119.74 114.53 1j49 s LYS 276 Ca 0.00 -1.92 -0.29 0.00 0.02 0.00 0.00 55.97 53.78 1j49 s LYS 276 Cb 0.00 -0.75 0.02 0.00 -0.52 0.00 0.00 37.83 36.58 1j49 s LYS 276 CO 0.00 -0.24 1.25 -2.00 -0.92 0.00 0.00 175.35 173.44 1j49 s GLU 277 N -3.90 3.71 0.20 1.68 2.12 -1.26 -4.97 118.70 116.29 1j49 s GLU 277 Ca 0.35 0.79 -0.32 0.00 0.36 0.00 0.00 54.97 56.16 1j49 s GLU 277 Cb 0.08 -3.94 -0.12 0.00 0.26 0.00 0.00 34.13 30.42 1j49 s GLU 277 CO 0.15 -1.39 1.71 0.12 -0.54 0.00 0.00 175.26 175.31 1j49 s PHE 278 N 4.74 2.89 0.04 5.30 5.36 -1.26 -4.89 117.98 130.16 1j49 s PHE 278 Ca 0.53 0.35 0.29 0.00 -0.96 0.00 0.00 56.93 57.15 1j49 s PHE 278 Cb -0.11 -4.12 1.08 0.00 -0.34 0.00 0.00 43.02 39.53 1j49 s PHE 278 CO 0.30 -4.26 1.88 -1.00 -1.46 0.00 0.00 175.22 170.69 1j49 h PRO 279 N 6.87 0.00 -3.39 10.12 0.13 -1.97 -3.42 132.00 140.34 1j49 h PRO 279 Ca -0.43 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.12 1j49 h PRO 279 Cb 1.20 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1j49 h PRO 279 CO 0.95 0.08 -0.76 0.34 -0.23 0.00 0.00 178.00 178.38 1j49 s ASP 280 N -5.92 3.90 0.30 1.44 -1.08 -1.26 -5.00 116.67 109.05 1j49 s ASP 280 Ca 0.02 -1.75 -0.01 0.00 -0.52 0.00 0.00 52.55 50.28 1j49 s ASP 280 Cb 0.09 -0.83 0.47 0.00 -1.46 0.00 0.00 42.92 41.19 1j49 s ASP 280 CO 0.59 -0.40 1.96 0.00 0.52 0.00 0.00 175.17 177.85 1j49 h ALA 281 N 7.90 1.44 -0.69 3.66 0.00 -1.99 -1.49 119.26 128.09 1j49 h ALA 281 Ca -0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1j49 h ALA 281 Cb 1.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1j49 h ALA 281 CO 0.46 0.51 0.19 -0.09 0.00 0.00 0.00 179.25 180.32 1j49 h ARG 282 N 1.09 1.09 -0.35 0.00 2.43 -1.99 -1.18 114.38 115.47 1j49 h ARG 282 Ca 0.31 -0.25 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 1j49 h ARG 282 Cb -0.07 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1j49 h ARG 282 CO -0.08 0.95 -0.43 1.25 -1.51 0.00 0.00 179.97 180.16 1j49 h LEU 283 N 1.02 0.99 -1.24 3.80 5.85 -1.86 -2.17 115.31 121.70 1j49 h LEU 283 Ca 0.22 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1j49 h LEU 283 Cb 0.34 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1j49 h LEU 283 CO -0.00 1.28 0.54 0.00 -0.34 0.00 0.00 178.44 179.91 1j49 h ALA 284 N 0.74 1.58 -0.22 1.25 0.00 -1.07 -0.87 119.26 120.68 1j49 h ALA 284 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1j49 h ALA 284 Cb 1.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1j49 h ALA 284 CO 0.10 0.29 -0.09 0.22 0.00 0.00 0.00 179.25 179.78 1j49 h ASP 285 N 0.92 0.45 -0.70 0.00 3.58 -0.90 -2.91 116.42 116.86 1j49 h ASP 285 Ca 0.35 -0.39 0.05 0.00 0.42 0.00 0.00 57.03 57.46 1j49 h ASP 285 Cb 0.20 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 1j49 h ASP 285 CO -0.12 0.75 0.42 -0.07 -2.88 0.00 0.00 179.24 177.33 1j49 h LEU 286 N 0.16 0.66 -0.96 2.28 3.38 -0.73 -2.68 115.31 117.42 1j49 h LEU 286 Ca 0.05 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1j49 h LEU 286 Cb 0.56 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1j49 h LEU 286 CO 0.03 0.44 0.61 0.40 0.09 0.00 0.00 178.44 180.01 1j49 h ILE 287 N 0.79 1.06 0.00 1.22 2.04 -1.10 -2.46 117.51 119.06 1j49 h ILE 287 Ca 0.30 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1j49 h ILE 287 Cb 0.11 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1j49 h ILE 287 CO -0.15 0.20 -0.12 0.00 0.00 0.00 0.00 178.15 178.08 1j49 h ALA 288 N 1.44 0.94 -3.03 1.87 0.00 -1.29 -3.46 119.26 115.72 1j49 h ALA 288 Ca 0.42 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.77 1j49 h ALA 288 Cb 0.19 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.12 1j49 h ALA 288 CO -0.18 0.00 0.56 0.54 0.00 0.00 0.00 179.25 180.17 1j49 n ARG 289 N -2.98 1.54 0.24 0.00 1.74 -0.93 -4.89 116.66 111.38 1j49 n ARG 289 Ca 0.04 0.57 0.13 0.00 -0.77 0.00 0.00 57.85 57.82 1j49 n ARG 289 Cb 0.52 -2.55 0.47 0.00 -1.02 0.00 0.00 32.46 29.89 1j49 n ARG 289 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1j49 h PRO 290 N 1.20 0.00 -0.21 5.56 0.13 -1.89 -3.06 132.00 133.73 1j49 h PRO 290 Ca -0.51 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 1j49 h PRO 290 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1j49 h PRO 290 CO 0.56 0.11 -0.06 0.27 -0.23 0.00 0.00 178.00 178.65 1j49 n ASN 291 N -3.20 2.96 -4.08 1.44 6.94 -1.26 -3.79 115.26 114.27 1j49 n ASN 291 Ca 0.01 -3.32 -0.23 0.00 -0.02 0.00 0.00 54.58 51.02 1j49 n ASN 291 Cb 0.42 -0.54 -0.15 0.00 -2.36 0.00 0.00 39.78 37.14 1j49 n ASN 291 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1j49 s VAL 292 N -2.99 1.09 -0.24 3.53 1.01 -1.16 -1.71 120.40 119.92 1j49 s VAL 292 Ca 0.40 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1j49 s VAL 292 Cb 0.35 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.83 1j49 s VAL 292 CO 0.04 0.32 -0.11 -0.76 0.00 0.00 0.00 175.10 174.59 1j49 s LEU 293 N -0.07 3.06 -0.20 3.92 1.43 -0.11 -4.74 118.68 121.98 1j49 s LEU 293 Ca 0.00 -1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.03 1j49 s LEU 293 Cb -0.08 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1j49 s LEU 293 CO 0.00 -0.12 0.04 -0.69 0.23 0.00 0.00 176.35 175.81 1j49 s VAL 294 N 1.24 4.41 -0.01 -1.59 1.01 -1.26 -0.69 120.40 123.52 1j49 s VAL 294 Ca -0.02 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1j49 s VAL 294 Cb -0.17 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1j49 s VAL 294 CO -0.06 0.43 -0.15 0.42 0.00 0.00 0.00 175.10 175.74 1j49 s THR 295 N 0.79 1.15 -1.47 3.92 -4.23 -0.91 -5.01 115.64 109.88 1j49 s THR 295 Ca 0.02 -0.63 -0.11 0.00 -1.18 0.00 0.00 61.69 59.80 1j49 s THR 295 Cb -0.14 -0.96 0.03 0.00 1.34 0.00 0.00 72.50 72.77 1j49 s THR 295 CO 0.02 0.32 2.45 -0.81 -0.54 0.00 0.00 174.62 176.07 1j49 n PRO 296 N 2.71 3.54 -3.48 3.99 -0.04 -1.26 -4.20 135.00 136.26 1j49 n PRO 296 Ca -0.14 -2.74 -0.19 0.00 -0.04 0.00 0.00 63.50 60.39 1j49 n PRO 296 Cb 0.55 -2.96 0.07 0.00 -0.04 0.00 0.00 33.50 31.12 1j49 n PRO 296 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j49 n HIS 297 N 4.19 -2.15 0.51 0.54 -0.00 0.15 -4.71 115.22 113.75 1j49 n HIS 297 Ca 0.61 0.87 0.07 0.00 0.46 0.00 0.00 57.72 59.72 1j49 n HIS 297 Cb 0.31 -4.60 0.06 0.00 -0.12 0.00 0.00 29.99 25.64 1j49 n HIS 297 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1j49 n THR 298 N -3.99 0.05 -0.03 3.57 5.66 -1.26 -4.70 114.28 113.58 1j49 n THR 298 Ca -0.24 -0.52 0.09 0.00 -3.05 0.00 0.00 64.05 60.33 1j49 n THR 298 Cb 0.66 1.23 0.48 0.00 -1.55 0.00 0.00 70.33 71.15 1j49 n THR 298 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j49 h ALA 299 N 2.55 1.90 0.00 1.79 0.00 -1.90 -1.60 119.26 122.01 1j49 h ALA 299 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j49 h ALA 299 Cb 0.56 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1j49 h ALA 299 CO 0.00 0.02 -0.03 0.27 0.00 0.00 0.00 179.25 179.51 1j49 h PHE 300 N 0.44 0.00 -0.90 0.00 -0.00 -1.84 -3.21 116.94 111.44 1j49 h PHE 300 Ca 0.21 0.00 -0.61 0.00 -0.00 0.00 0.00 57.97 57.58 1j49 h PHE 300 Cb 0.28 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 36.15 1j49 h PHE 300 CO -0.00 0.03 1.83 -0.47 -0.00 0.00 0.00 178.31 179.69 1j49 s TYR 301 N -3.42 2.59 0.10 6.09 5.04 -0.60 -4.59 117.35 122.56 1j49 s TYR 301 Ca 0.04 -1.10 0.02 0.00 -2.44 0.00 0.00 57.07 53.59 1j49 s TYR 301 Cb 0.07 -4.64 -0.04 0.00 0.35 0.00 0.00 41.96 37.70 1j49 s TYR 301 CO 0.62 -1.79 -0.07 0.95 -1.34 0.00 0.00 175.55 173.91 1j49 s THR 302 N 5.31 0.76 0.30 4.34 -4.23 -1.26 -5.03 115.64 115.83 1j49 s THR 302 Ca 0.54 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1j49 s THR 302 Cb 0.02 -1.67 0.28 0.00 1.34 0.00 0.00 72.50 72.46 1j49 s THR 302 CO 0.03 -0.84 1.93 0.71 -0.54 0.00 0.00 174.62 175.91 1j49 h THR 303 N 2.99 1.11 0.36 3.99 1.35 -1.98 0.09 112.91 120.81 1j49 h THR 303 Ca -0.35 -0.36 -0.02 0.00 -0.55 0.00 0.00 66.41 65.13 1j49 h THR 303 Cb 1.17 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1j49 h THR 303 CO 0.64 0.19 -0.17 -0.74 -0.25 0.00 0.00 175.52 175.19 1j49 h HIS 304 N 1.04 -0.45 0.08 4.73 -0.00 -1.96 0.17 115.15 118.77 1j49 h HIS 304 Ca 0.36 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.72 1j49 h HIS 304 Cb 0.10 0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1j49 h HIS 304 CO -0.00 -0.22 -0.06 0.00 -0.00 0.00 0.00 177.93 177.65 1j49 h ALA 305 N 0.04 -0.13 -0.39 5.26 0.00 -1.72 -2.20 119.26 120.12 1j49 h ALA 305 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1j49 h ALA 305 Cb 0.43 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1j49 h ALA 305 CO 0.08 -0.58 0.22 0.28 0.00 0.00 0.00 179.25 179.25 1j49 h VAL 306 N -0.14 1.12 0.54 0.00 2.07 -0.90 0.11 116.25 119.05 1j49 h VAL 306 Ca -0.00 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1j49 h VAL 306 Cb 0.12 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1j49 h VAL 306 CO -0.00 0.13 -0.26 -0.09 0.02 0.00 0.00 177.57 177.37 1j49 h ARG 307 N 0.53 -0.70 0.00 1.57 2.43 -0.17 -2.12 114.38 115.92 1j49 h ARG 307 Ca 0.14 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1j49 h ARG 307 Cb 0.00 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1j49 h ARG 307 CO -0.02 -0.45 -0.09 -0.91 -1.51 0.00 0.00 179.97 176.99 1j49 h ASN 308 N -0.77 0.00 -0.20 -3.80 2.35 -0.79 -1.00 115.58 111.36 1j49 h ASN 308 Ca -0.07 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1j49 h ASN 308 Cb 0.58 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1j49 h ASN 308 CO 0.12 0.09 -0.10 0.24 -1.65 0.00 0.00 177.43 176.13 1j49 h MET 309 N 0.00 0.42 0.19 0.81 2.86 -0.48 -2.31 114.93 116.42 1j49 h MET 309 Ca -0.00 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1j49 h MET 309 Cb 0.17 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1j49 h MET 309 CO 0.01 0.71 -0.09 0.28 1.06 0.00 0.00 176.91 178.88 1j49 h VAL 310 N 0.12 0.00 -0.50 -2.22 2.07 -1.00 -2.76 116.25 111.96 1j49 h VAL 310 Ca 0.05 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1j49 h VAL 310 Cb 0.58 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1j49 h VAL 310 CO 0.03 0.00 -0.26 0.58 0.02 0.00 0.00 177.57 177.94 1j49 h VAL 311 N -0.38 0.29 0.00 2.57 2.07 -1.33 -0.66 116.25 118.81 1j49 h VAL 311 Ca -0.03 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1j49 h VAL 311 Cb 0.20 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1j49 h VAL 311 CO 0.04 0.00 -0.39 0.11 0.02 0.00 0.00 177.57 177.35 1j49 h LYS 312 N -0.14 0.00 -0.27 1.57 1.57 -1.54 0.20 116.57 117.96 1j49 h LYS 312 Ca 0.23 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1j49 h LYS 312 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1j49 h LYS 312 CO -0.59 0.39 -0.07 0.00 -0.57 0.00 0.00 179.45 178.61 1j49 h ALA 313 N 1.61 0.37 -0.04 3.86 0.00 -0.96 -1.29 119.26 122.81 1j49 h ALA 313 Ca -0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1j49 h ALA 313 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1j49 h ALA 313 CO 0.05 0.19 -0.58 0.74 0.00 0.00 0.00 179.25 179.64 1j49 h PHE 314 N 0.27 0.16 -0.57 0.00 -1.00 -0.45 0.09 116.94 115.44 1j49 h PHE 314 Ca 0.07 -0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 1j49 h PHE 314 Cb 0.55 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 1j49 h PHE 314 CO 0.05 0.68 0.01 -0.44 -1.61 0.00 0.00 178.31 177.00 1j49 h ASP 315 N 0.10 0.98 -0.28 2.17 5.19 -0.51 -1.05 116.42 123.02 1j49 h ASP 315 Ca -0.00 -0.30 -0.09 0.00 -0.62 0.00 0.00 57.03 56.02 1j49 h ASP 315 Cb 1.06 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1j49 h ASP 315 CO 0.08 1.04 -0.16 0.78 -3.12 0.00 0.00 179.24 177.87 1j49 h ASN 316 N 0.89 0.63 0.26 6.45 2.35 -0.94 -1.54 115.58 123.69 1j49 h ASN 316 Ca 0.16 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1j49 h ASN 316 Cb 0.53 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1j49 h ASN 316 CO 0.03 0.91 -0.13 -1.13 -1.65 0.00 0.00 177.43 175.46 1j49 h ASN 317 N 0.35 -0.31 -0.99 5.81 -1.24 -0.77 0.09 115.58 118.51 1j49 h ASN 317 Ca 0.06 0.01 0.13 0.00 0.71 0.00 0.00 56.30 57.21 1j49 h ASN 317 Cb 0.68 0.08 -0.09 0.00 0.73 0.00 0.00 38.32 39.73 1j49 h ASN 317 CO 0.05 -0.22 0.61 0.25 -1.29 0.00 0.00 177.43 176.83 1j49 h LEU 318 N -0.36 0.88 -0.77 0.34 5.85 -1.11 0.16 115.31 120.31 1j49 h LEU 318 Ca -0.03 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1j49 h LEU 318 Cb 0.28 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1j49 h LEU 318 CO 0.05 0.45 0.31 -0.33 -0.34 0.00 0.00 178.44 178.58 1j49 h GLU 319 N 0.94 1.15 0.17 1.25 5.08 -0.82 0.04 114.58 122.38 1j49 h GLU 319 Ca 0.50 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1j49 h GLU 319 Cb 0.54 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1j49 h GLU 319 CO -0.28 0.93 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.50 1j49 h LEU 320 N 1.11 -0.20 -2.12 1.33 3.38 0.13 0.38 115.31 119.33 1j49 h LEU 320 Ca 0.26 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1j49 h LEU 320 Cb 0.21 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1j49 h LEU 320 CO -0.02 -0.02 0.05 0.58 0.09 0.00 0.00 178.44 179.13 1j49 h VAL 321 N -0.37 0.84 -0.66 1.22 2.07 -0.91 -2.28 116.25 116.14 1j49 h VAL 321 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1j49 h VAL 321 Cb 0.29 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1j49 h VAL 321 CO 0.04 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.01 1j49 n GLU 322 N -4.33 3.74 -3.60 1.57 1.02 -0.02 -4.93 120.64 114.10 1j49 n GLU 322 Ca -0.01 -2.91 -0.20 0.00 -0.02 0.00 0.00 57.16 54.02 1j49 n GLU 322 Cb 0.16 -1.90 0.05 0.00 -0.02 0.00 0.00 31.44 29.73 1j49 n GLU 322 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j49 n GLY 323 N 1.18 -0.39 3.56 0.62 0.00 -0.86 -5.00 105.19 104.30 1j49 n GLY 323 Ca 0.26 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 1j49 n GLY 323 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j49 s LYS 324 N -5.72 1.96 0.01 1.61 1.02 0.13 -5.05 119.74 113.70 1j49 s LYS 324 Ca 0.05 -1.66 -0.30 0.00 0.02 0.00 0.00 55.97 54.08 1j49 s LYS 324 Cb -0.01 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.30 1j49 s LYS 324 CO 0.79 0.30 1.68 -2.00 -0.92 0.00 0.00 175.35 175.20 1j49 s GLU 325 N -3.61 4.19 0.35 1.68 2.12 -1.26 -4.47 118.70 117.69 1j49 s GLU 325 Ca 0.31 2.29 -0.28 0.00 0.36 0.00 0.00 54.97 57.66 1j49 s GLU 325 Cb -0.04 -3.85 -0.09 0.00 0.26 0.00 0.00 34.13 30.41 1j49 s GLU 325 CO 0.17 -0.81 1.22 0.00 -0.54 0.00 0.00 175.26 175.30 1j49 s ALA 326 N 3.50 3.35 0.17 6.30 0.00 -1.26 -4.93 121.76 128.89 1j49 s ALA 326 Ca 0.75 1.08 -0.10 0.00 0.00 0.00 0.00 51.96 53.70 1j49 s ALA 326 Cb -0.37 -3.41 0.06 0.00 0.00 0.00 0.00 23.12 19.39 1j49 s ALA 326 CO 0.32 -0.51 1.63 0.93 0.00 0.00 0.00 175.76 178.13 1j49 h GLU 327 N 3.21 1.05 -1.85 0.00 5.08 -1.91 -3.38 114.58 116.77 1j49 h GLU 327 Ca -0.48 -0.34 -0.51 0.00 -1.00 0.00 0.00 59.36 57.02 1j49 h GLU 327 Cb 1.23 -0.09 -0.37 0.00 0.50 0.00 0.00 28.75 30.01 1j49 h GLU 327 CO 0.65 1.04 -1.09 0.25 -1.00 0.00 0.00 179.01 178.85 1j49 n THR 328 N -4.20 -0.51 -2.34 1.13 -2.24 -1.26 -5.11 114.28 99.76 1j49 n THR 328 Ca 0.02 -3.98 -0.36 0.00 -2.27 0.00 0.00 64.05 57.47 1j49 n THR 328 Cb 0.35 -1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 67.32 1j49 n THR 328 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1j49 s PRO 329 N -1.39 3.65 -0.19 -0.78 0.04 -1.26 -1.59 135.00 133.48 1j49 s PRO 329 Ca 0.36 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 1j49 s PRO 329 Cb 0.22 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1j49 s PRO 329 CO -0.11 -0.61 0.41 0.08 0.04 0.00 0.00 177.00 176.81 1j49 s VAL 330 N -1.72 5.20 -0.28 -0.36 1.01 0.42 -4.82 120.40 119.85 1j49 s VAL 330 Ca 0.67 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 1j49 s VAL 330 Cb -0.24 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1j49 s VAL 330 CO 0.28 0.26 2.24 2.29 0.00 0.00 0.00 175.10 180.18 1j49 n LYS 331 N 4.34 1.66 0.00 2.72 0.00 -1.26 -4.68 118.16 120.94 1j49 n LYS 331 Ca -0.08 0.42 0.15 0.00 -0.00 0.00 0.00 58.31 58.81 1j49 n LYS 331 Cb 0.51 -3.07 0.84 0.00 -0.00 0.00 0.00 35.03 33.31 1j49 n LYS 331 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68