#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rub n THR 23 N 0.00 0.62 0.53 1.96 5.66 -1.26 -4.02 114.28 117.76 3rub n THR 23 Ca 0.00 -0.81 0.06 0.00 -3.05 0.00 0.00 64.05 60.25 3rub n THR 23 Cb 0.00 0.85 -0.00 0.00 -1.55 0.00 0.00 70.33 69.62 3rub n THR 23 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 3rub n TYR 24 N 1.18 0.00 -3.70 1.09 4.01 -1.26 -4.85 117.16 113.63 3rub n TYR 24 Ca 0.17 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.52 3rub n TYR 24 Cb 0.52 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.44 3rub n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3rub s TYR 25 N -1.55 3.26 -0.45 -0.72 5.04 -1.26 0.11 117.35 121.77 3rub s TYR 25 Ca 0.10 -1.31 0.05 0.00 -2.44 0.00 0.00 57.07 53.46 3rub s TYR 25 Cb 0.10 -2.37 0.19 0.00 0.35 0.00 0.00 41.96 40.23 3rub s TYR 25 CO 0.31 -0.72 0.42 0.25 -1.34 0.00 0.00 175.55 174.47 3rub n THR 26 N 4.87 -0.56 0.23 4.34 -2.24 0.32 -4.92 114.28 116.31 3rub n THR 26 Ca -0.12 -3.83 0.13 0.00 -2.27 0.00 0.00 64.05 57.96 3rub n THR 26 Cb 0.45 -1.81 0.68 0.00 -2.10 0.00 0.00 70.33 67.55 3rub n THR 26 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3rub h PRO 27 N 5.15 0.00 0.00 -0.78 0.13 -1.74 -1.19 132.00 133.57 3rub h PRO 27 Ca 0.21 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.25 3rub h PRO 27 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3rub h PRO 27 CO 0.46 0.00 -0.43 0.93 -0.23 0.00 0.00 178.00 178.73 3rub h GLU 28 N 0.00 0.00 -6.53 0.86 3.07 -1.91 -3.46 114.58 106.61 3rub h GLU 28 Ca 0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 3rub h GLU 28 Cb 0.07 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 28.03 3rub h GLU 28 CO 0.00 0.43 0.94 0.98 -1.40 0.00 0.00 179.01 179.96 3rub n TYR 29 N -3.26 2.48 -3.26 4.33 9.36 -0.45 -4.97 117.16 121.40 3rub n TYR 29 Ca 0.02 0.10 -0.45 0.00 3.32 0.00 0.00 57.90 60.89 3rub n TYR 29 Cb 0.67 -2.63 -0.05 0.00 -0.63 0.00 0.00 39.34 36.70 3rub n TYR 29 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 3rub s GLN 30 N 1.58 3.01 0.61 2.98 0.00 -1.26 -4.98 119.66 121.60 3rub s GLN 30 Ca 0.79 -1.50 -0.19 0.00 -0.00 0.00 0.00 55.36 54.47 3rub s GLN 30 Cb -0.59 -4.25 -0.03 0.00 0.00 0.00 0.00 33.01 28.14 3rub s GLN 30 CO 0.37 -1.34 1.25 0.95 0.00 0.00 0.00 175.29 176.53 3rub s THR 31 N 1.97 2.35 0.21 3.63 -4.23 -1.26 -5.00 115.64 113.31 3rub s THR 31 Ca 0.06 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 3rub s THR 31 Cb -0.27 -3.09 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 3rub s THR 31 CO 0.05 -0.04 0.38 -0.54 -0.54 0.00 0.00 174.62 173.92 3rub s LYS 32 N -3.31 3.48 0.59 3.99 1.02 -1.26 -5.00 119.74 119.25 3rub s LYS 32 Ca 0.79 -0.50 0.30 0.00 0.02 0.00 0.00 55.97 56.58 3rub s LYS 32 Cb -0.34 -2.86 1.79 0.00 -0.52 0.00 0.00 37.83 35.89 3rub s LYS 32 CO 0.37 0.41 2.20 -0.44 -0.92 0.00 0.00 175.35 176.97 3rub h ASP 33 N 1.71 0.00 0.20 2.83 3.32 -2.03 -1.86 116.42 120.59 3rub h ASP 33 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3rub h ASP 33 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3rub h ASP 33 CO 0.66 0.00 -0.52 0.35 -1.72 0.00 0.00 179.24 178.01 3rub n THR 34 N -3.80 0.00 -1.90 0.35 -2.24 -1.26 -4.47 114.28 100.96 3rub n THR 34 Ca -0.01 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 3rub n THR 34 Cb 0.17 0.67 0.04 0.00 -2.10 0.00 0.00 70.33 69.11 3rub n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3rub s ASP 35 N -2.72 5.10 -0.20 3.42 1.01 -0.70 -4.14 116.67 118.44 3rub s ASP 35 Ca 0.16 2.24 -0.12 0.00 0.71 0.00 0.00 52.55 55.55 3rub s ASP 35 Cb 0.18 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 3rub s ASP 35 CO 0.65 -1.64 0.20 -0.63 0.21 0.00 0.00 175.17 173.95 3rub s ILE 36 N -1.89 5.36 0.05 0.77 1.09 0.59 -4.11 121.20 123.06 3rub s ILE 36 Ca 0.73 0.32 0.07 0.00 -1.10 0.00 0.00 60.65 60.68 3rub s ILE 36 Cb -0.26 -3.54 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 3rub s ILE 36 CO 0.36 0.40 -0.16 -0.76 -0.10 0.00 0.00 174.94 174.67 3rub s LEU 37 N 0.58 2.71 -0.01 2.97 1.43 -1.01 0.69 118.68 126.04 3rub s LEU 37 Ca 0.11 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 3rub s LEU 37 Cb -0.12 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 3rub s LEU 37 CO 0.01 0.25 -0.17 0.00 0.23 0.00 0.00 176.35 176.67 3rub s ALA 38 N -0.97 1.39 -0.46 4.21 0.00 0.13 0.18 121.76 126.24 3rub s ALA 38 Ca 0.16 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 3rub s ALA 38 Cb -0.11 -0.34 0.11 0.00 0.00 0.00 0.00 23.12 22.78 3rub s ALA 38 CO 0.06 0.34 0.32 0.00 0.00 0.00 0.00 175.76 176.48 3rub s ALA 39 N -0.44 3.37 -0.14 0.00 0.00 -0.61 -0.37 121.76 123.56 3rub s ALA 39 Ca 0.06 -2.43 -0.13 0.00 0.00 0.00 0.00 51.96 49.47 3rub s ALA 39 Cb -0.07 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 3rub s ALA 39 CO -0.00 -1.83 0.27 -0.06 0.00 0.00 0.00 175.76 174.13 3rub s PHE 40 N 1.38 3.50 -0.46 0.00 0.08 0.21 -1.13 117.98 121.56 3rub s PHE 40 Ca 0.05 0.60 -0.20 0.00 0.12 0.00 0.00 56.93 57.50 3rub s PHE 40 Cb -0.25 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 39.96 3rub s PHE 40 CO 0.00 0.34 0.62 0.50 -0.10 0.00 0.00 175.22 176.59 3rub s ARG 41 N 0.13 3.21 -0.07 0.44 3.52 0.21 -0.46 118.95 125.92 3rub s ARG 41 Ca 0.16 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.21 3rub s ARG 41 Cb -0.13 -4.00 -0.03 0.00 -1.56 0.00 0.00 34.95 29.24 3rub s ARG 41 CO 0.04 -1.07 -0.11 0.54 -0.81 0.00 0.00 175.30 173.89 3rub s VAL 42 N 2.72 3.30 -0.45 7.11 0.11 -0.10 -0.22 120.40 132.87 3rub s VAL 42 Ca 0.19 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.65 3rub s VAL 42 Cb -0.16 -2.34 0.13 0.00 -1.53 0.00 0.00 36.38 32.49 3rub s VAL 42 CO 0.16 0.58 0.24 -0.89 -3.33 0.00 0.00 175.10 171.86 3rub s THR 43 N -0.51 1.71 0.68 5.04 2.01 -0.94 -0.63 115.64 123.01 3rub s THR 43 Ca 0.07 -2.72 -0.13 0.00 0.31 0.00 0.00 61.69 59.23 3rub s THR 43 Cb -0.12 -2.20 0.01 0.00 0.01 0.00 0.00 72.50 70.20 3rub s THR 43 CO 0.02 -0.86 1.08 -2.84 -0.69 0.00 0.00 174.62 171.33 3rub s PRO 44 N 0.23 2.80 0.30 4.92 0.02 -1.22 0.84 135.00 142.89 3rub s PRO 44 Ca 0.17 1.18 -0.29 0.00 0.02 0.00 0.00 61.00 62.08 3rub s PRO 44 Cb -0.25 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.21 3rub s PRO 44 CO -0.00 -1.22 1.14 -0.65 -0.33 0.00 0.00 177.00 175.93 3rub s GLN 45 N -4.54 4.55 0.04 5.54 -1.52 -1.12 -4.43 119.66 118.17 3rub s GLN 45 Ca 0.62 1.88 -0.35 0.00 -1.95 0.00 0.00 55.36 55.56 3rub s GLN 45 Cb -0.17 -3.13 -0.14 0.00 -0.22 0.00 0.00 33.01 29.36 3rub s GLN 45 CO 0.48 0.10 1.66 -2.30 -0.25 0.00 0.00 175.29 174.98 3rub n PRO 46 N 1.03 1.96 0.00 2.91 -0.01 -1.26 -2.59 135.00 137.04 3rub n PRO 46 Ca -0.01 0.71 0.00 0.00 -0.01 0.00 0.00 63.50 64.20 3rub n PRO 46 Cb 0.44 -2.48 0.00 0.00 -0.01 0.00 0.00 33.50 31.45 3rub n PRO 46 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3rub n GLY 47 N 3.68 3.20 3.68 -1.23 0.00 -1.26 -5.07 105.19 108.19 3rub n GLY 47 Ca 0.20 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 3rub n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3rub s VAL 48 N 0.00 3.48 0.79 1.61 -7.23 -1.07 -5.00 120.40 112.99 3rub s VAL 48 Ca 0.00 0.84 -0.10 0.00 -1.81 0.00 0.00 61.98 60.90 3rub s VAL 48 Cb 0.00 -3.54 0.07 0.00 0.56 0.00 0.00 36.38 33.47 3rub s VAL 48 CO 0.00 -0.02 1.10 -2.16 -0.31 0.00 0.00 175.10 173.71 3rub s PRO 49 N 2.83 2.06 0.11 4.82 0.04 -1.26 -4.78 135.00 138.83 3rub s PRO 49 Ca 0.69 1.23 -0.24 0.00 0.04 0.00 0.00 61.00 62.72 3rub s PRO 49 Cb -0.34 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3rub s PRO 49 CO 0.29 -1.80 1.68 -1.35 0.04 0.00 0.00 177.00 175.85 3rub h PRO 50 N -1.24 -0.24 -0.93 0.56 0.11 -1.98 0.38 132.00 128.66 3rub h PRO 50 Ca -0.43 0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.84 3rub h PRO 50 Cb 1.24 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.32 3rub h PRO 50 CO 0.50 -0.16 0.59 0.93 -0.21 0.00 0.00 178.00 179.65 3rub h GLU 51 N -0.24 0.73 -0.01 1.05 3.07 -1.98 1.15 114.58 118.34 3rub h GLU 51 Ca 0.05 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 58.71 3rub h GLU 51 Cb 0.31 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3rub h GLU 51 CO -0.14 0.48 -0.73 0.93 -1.40 0.00 0.00 179.01 178.14 3rub h GLU 52 N 0.75 0.05 0.18 2.33 4.39 -1.70 -1.34 114.58 119.23 3rub h GLU 52 Ca 0.47 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 3rub h GLU 52 Cb 0.72 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3rub h GLU 52 CO -0.24 0.76 -0.09 0.00 -1.16 0.00 0.00 179.01 178.28 3rub h ALA 53 N 1.23 -1.04 -0.98 3.43 0.00 0.31 -1.54 119.26 120.68 3rub h ALA 53 Ca -0.01 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.07 3rub h ALA 53 Cb 1.30 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 3rub h ALA 53 CO 0.10 -1.02 0.63 0.78 0.00 0.00 0.00 179.25 179.74 3rub h GLY 54 N -0.25 1.08 2.00 0.00 0.00 0.11 0.46 103.07 106.46 3rub h GLY 54 Ca -0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3rub h GLY 54 CO 0.04 -0.06 -0.37 0.00 0.00 0.00 0.00 176.54 176.15 3rub h ALA 55 N 1.61 0.91 0.18 3.60 0.00 -1.12 -3.04 119.26 121.40 3rub h ALA 55 Ca 0.53 -0.33 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 3rub h ALA 55 Cb 1.30 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.05 3rub h ALA 55 CO -0.24 0.46 -1.42 0.00 0.00 0.00 0.00 179.25 178.05 3rub h ALA 56 N 1.63 0.03 -0.44 0.00 0.00 0.96 -1.44 119.26 120.00 3rub h ALA 56 Ca -0.00 -0.93 0.08 0.00 0.00 0.00 0.00 54.91 54.06 3rub h ALA 56 Cb 1.00 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 3rub h ALA 56 CO 0.05 0.90 0.01 0.28 0.00 0.00 0.00 179.25 180.49 3rub h VAL 57 N 0.10 0.68 -0.30 0.00 2.07 -1.32 -2.53 116.25 114.95 3rub h VAL 57 Ca -0.21 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 67.09 3rub h VAL 57 Cb 2.07 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3rub h VAL 57 CO 0.22 0.02 -0.49 0.00 0.02 0.00 0.00 177.57 177.35 3rub h ALA 58 N 1.38 0.56 0.33 1.67 0.00 -1.59 -2.83 119.26 118.79 3rub h ALA 58 Ca 0.22 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3rub h ALA 58 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3rub h ALA 58 CO -0.35 0.68 -0.16 0.00 0.00 0.00 0.00 179.25 179.42 3rub h ALA 59 N 0.79 -0.92 -0.80 0.00 0.00 -0.98 -3.15 119.26 114.20 3rub h ALA 59 Ca 0.03 -0.10 -0.44 0.00 0.00 0.00 0.00 54.91 54.40 3rub h ALA 59 Cb 1.07 0.17 -0.24 0.00 0.00 0.00 0.00 17.79 18.79 3rub h ALA 59 CO 0.11 -0.89 0.56 0.39 0.00 0.00 0.00 179.25 179.42 3rub n GLU 60 N -3.41 2.07 0.00 0.00 4.71 -0.98 -0.72 120.64 122.31 3rub n GLU 60 Ca -0.06 -2.44 0.08 0.00 -0.01 0.00 0.00 57.16 54.73 3rub n GLU 60 Cb 0.18 -1.96 0.05 0.00 -1.01 0.00 0.00 31.44 28.70 3rub n GLU 60 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3rub n SER 61 N -0.73 2.11 0.04 1.62 2.88 -1.07 -4.37 113.62 114.11 3rub n SER 61 Ca 0.48 -1.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.47 3rub n SER 61 Cb 1.27 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.83 3rub n SER 61 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3rub n SER 62 N 0.64 -0.44 -1.26 -3.46 3.41 -1.15 -4.42 113.62 106.95 3rub n SER 62 Ca 0.08 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3rub n SER 62 Cb 0.36 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 3rub n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3rub n THR 63 N -2.73 0.00 0.00 6.66 -2.24 0.10 -4.88 114.28 111.18 3rub n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3rub n THR 63 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3rub n THR 63 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3rub n VAL 69 N 0.00 0.00 -0.19 2.28 0.24 -1.26 -4.88 118.33 114.52 3rub n VAL 69 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 3rub n VAL 69 Cb 0.00 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 3rub n VAL 69 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3rub h TRP 70 N 0.00 0.79 -0.19 6.34 5.08 -2.06 -1.63 115.95 124.29 3rub h TRP 70 Ca 0.00 -0.05 0.05 0.00 1.08 0.00 0.00 58.89 59.97 3rub h TRP 70 Cb 0.00 -0.24 -0.01 0.00 -3.00 0.00 0.00 29.16 25.91 3rub h TRP 70 CO 0.00 0.64 0.24 1.79 -1.28 0.00 0.00 178.44 179.82 3rub h THR 71 N 0.72 0.38 -0.07 0.12 1.35 -2.01 0.99 112.91 114.39 3rub h THR 71 Ca 0.18 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.02 3rub h THR 71 Cb 0.17 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 3rub h THR 71 CO -0.02 0.00 -0.07 0.44 -0.25 0.00 0.00 175.52 175.62 3rub h ASP 72 N 0.00 0.09 -0.12 5.36 5.19 -1.66 0.60 116.42 125.87 3rub h ASP 72 Ca 0.09 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3rub h ASP 72 Cb 0.56 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.05 3rub h ASP 72 CO -0.00 0.17 0.00 0.61 -3.12 0.00 0.00 179.24 176.90 3rub n GLY 73 N -1.21 0.27 0.03 2.75 0.00 0.34 -3.56 105.19 103.81 3rub n GLY 73 Ca -0.02 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.67 3rub n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3rub n LEU 74 N 0.35 0.52 0.00 0.99 4.32 0.20 -4.90 117.00 118.49 3rub n LEU 74 Ca 0.17 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 3rub n LEU 74 Cb 0.36 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 3rub n LEU 74 CO 0.14 0.02 0.00 1.07 -1.22 0.00 0.00 177.39 177.41 3rub n THR 75 N -1.78 0.00 -3.98 -5.08 5.66 -1.23 -5.14 114.28 102.73 3rub n THR 75 Ca 0.05 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.74 3rub n THR 75 Cb 0.38 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.01 3rub n THR 75 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3rub s SER 76 N -0.16 4.27 0.19 1.09 0.15 -1.26 -4.96 113.70 113.03 3rub s SER 76 Ca 0.00 -1.53 -0.16 0.00 0.70 0.00 0.00 55.95 54.96 3rub s SER 76 Cb 0.00 -1.37 0.17 0.00 -1.71 0.00 0.00 66.02 63.11 3rub s SER 76 CO 0.00 -0.28 1.63 -0.07 1.20 0.00 0.00 173.24 175.73 3rub h LEU 77 N 7.83 -0.59 -1.58 3.45 -0.00 -1.99 -0.34 115.31 122.08 3rub h LEU 77 Ca -0.14 0.17 0.18 0.00 -0.00 0.00 0.00 57.88 58.09 3rub h LEU 77 Cb 1.04 0.37 -0.06 0.00 -0.00 0.00 0.00 40.66 42.01 3rub h LEU 77 CO 0.46 -0.20 0.55 0.44 -0.00 0.00 0.00 178.44 179.68 3rub h ASP 78 N -0.03 0.37 -0.11 -0.43 5.19 -1.95 -0.71 116.42 118.74 3rub h ASP 78 Ca 0.26 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.59 3rub h ASP 78 Cb 0.43 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3rub h ASP 78 CO -0.57 0.17 -0.34 0.03 -3.12 0.00 0.00 179.24 175.41 3rub h ARG 79 N 0.38 0.42 -0.62 3.56 3.08 -1.48 -3.35 114.38 116.37 3rub h ARG 79 Ca 0.41 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3rub h ARG 79 Cb 1.04 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3rub h ARG 79 CO -0.13 0.93 0.00 0.66 -1.07 0.00 0.00 179.97 180.36 3rub n TYR 80 N -4.38 1.57 -3.22 3.04 4.01 -0.85 -4.78 117.16 112.55 3rub n TYR 80 Ca -0.07 -0.64 -0.37 0.00 -0.16 0.00 0.00 57.90 56.65 3rub n TYR 80 Cb 0.51 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 3rub n TYR 80 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3rub s LYS 81 N -2.04 4.18 0.52 -0.72 -2.85 -0.33 -4.66 119.74 113.84 3rub s LYS 81 Ca 0.51 0.74 -0.17 0.00 -1.00 0.00 0.00 55.97 56.05 3rub s LYS 81 Cb 0.34 -3.04 -0.07 0.00 -2.06 0.00 0.00 37.83 33.00 3rub s LYS 81 CO 0.22 0.51 1.00 0.20 0.10 0.00 0.00 175.35 177.39 3rub s GLY 82 N -1.45 2.15 -0.06 0.59 0.00 -1.25 -4.58 107.32 102.71 3rub s GLY 82 Ca 0.36 0.28 -0.04 0.00 0.00 0.00 0.00 44.72 45.33 3rub s GLY 82 CO 0.20 0.57 0.15 1.09 0.00 0.00 0.00 173.10 175.12 3rub s ARG 83 N -3.91 0.14 -0.64 2.90 1.70 -0.51 -4.59 118.95 114.05 3rub s ARG 83 Ca 0.61 0.30 -0.23 0.00 -0.47 0.00 0.00 55.73 55.93 3rub s ARG 83 Cb -0.12 -0.04 0.06 0.00 -0.57 0.00 0.00 34.95 34.29 3rub s ARG 83 CO 0.29 -0.09 1.00 0.00 -1.08 0.00 0.00 175.30 175.42 3rub n TYR 85 N 7.85 0.96 -3.65 0.00 4.11 -0.65 0.12 117.16 125.90 3rub n TYR 85 Ca -0.02 -0.51 -0.01 0.00 -0.00 0.00 0.00 57.90 57.36 3rub n TYR 85 Cb 0.46 -0.03 -0.07 0.00 -0.00 0.00 0.00 39.34 39.71 3rub n TYR 85 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 3rub s ARG 86 N -1.08 0.16 0.21 -3.48 3.52 -1.21 -4.21 118.95 112.86 3rub s ARG 86 Ca 0.46 0.24 0.10 0.00 -0.13 0.00 0.00 55.73 56.40 3rub s ARG 86 Cb 0.25 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.65 3rub s ARG 86 CO 0.30 -0.03 -0.12 0.42 -0.81 0.00 0.00 175.30 175.07 3rub s ILE 87 N 0.70 3.00 -0.23 4.11 -1.09 -1.26 -0.68 121.20 125.75 3rub s ILE 87 Ca -0.02 -1.88 -0.19 0.00 -2.23 0.00 0.00 60.65 56.32 3rub s ILE 87 Cb -0.04 -2.51 0.06 0.00 -1.58 0.00 0.00 42.46 38.39 3rub s ILE 87 CO -0.12 -0.21 0.60 -0.70 -1.23 0.00 0.00 174.94 173.29 3rub s GLU 88 N -3.07 0.68 -0.05 2.79 2.12 0.05 -4.92 118.70 116.30 3rub s GLU 88 Ca 0.26 0.90 -0.23 0.00 0.36 0.00 0.00 54.97 56.26 3rub s GLU 88 Cb -0.08 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.55 3rub s GLU 88 CO 0.15 -0.10 0.68 0.50 -0.54 0.00 0.00 175.26 175.95 3rub s ARG 89 N 0.63 4.42 -0.07 4.30 3.52 -1.26 0.72 118.95 131.21 3rub s ARG 89 Ca -0.03 0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 56.13 3rub s ARG 89 Cb -0.05 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3rub s ARG 89 CO -0.04 0.13 1.12 0.08 -0.81 0.00 0.00 175.30 175.78 3rub s VAL 90 N 0.56 4.47 0.04 7.11 1.01 0.55 -4.86 120.40 129.29 3rub s VAL 90 Ca 0.36 1.77 -0.30 0.00 0.00 0.00 0.00 61.98 63.81 3rub s VAL 90 Cb -0.18 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3rub s VAL 90 CO 0.18 0.01 1.09 0.54 0.00 0.00 0.00 175.10 176.92 3rub s VAL 91 N 2.05 4.40 0.00 2.92 0.11 -1.26 -3.64 120.40 124.99 3rub s VAL 91 Ca 0.53 1.75 0.00 0.00 -2.93 0.00 0.00 61.98 61.33 3rub s VAL 91 Cb -0.22 -4.12 0.00 0.00 -1.53 0.00 0.00 36.38 30.51 3rub s VAL 91 CO 0.21 0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.74 3rub n GLY 92 N 2.96 2.14 3.73 6.54 0.00 -1.26 -5.04 105.19 114.26 3rub n GLY 92 Ca 0.07 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3rub n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3rub s GLU 93 N 0.00 2.26 0.00 1.61 0.41 -1.24 -5.03 118.70 116.71 3rub s GLU 93 Ca 0.00 1.69 0.00 0.00 -0.41 0.00 0.00 54.97 56.25 3rub s GLU 93 Cb 0.00 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.50 3rub s GLU 93 CO 0.00 -1.73 0.05 1.63 -0.49 0.00 0.00 175.26 174.72 3rub n LYS 94 N -2.66 0.00 -1.08 1.61 5.02 -1.26 -4.53 118.16 115.26 3rub n LYS 94 Ca 0.13 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.19 3rub n LYS 94 Cb 0.51 -0.55 0.05 0.00 -0.02 0.00 0.00 35.03 35.01 3rub n LYS 94 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3rub n ASP 95 N -0.06 6.89 -3.84 4.39 8.00 -1.26 -4.96 116.55 125.71 3rub n ASP 95 Ca 0.00 -3.32 -0.14 0.00 0.71 0.00 0.00 54.79 52.04 3rub n ASP 95 Cb 0.00 -1.04 -0.15 0.00 -0.02 0.00 0.00 41.12 39.91 3rub n ASP 95 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3rub s GLN 96 N -2.50 0.11 0.30 -1.24 -0.21 -1.25 -3.41 119.66 111.46 3rub s GLN 96 Ca 0.44 0.04 0.04 0.00 0.02 0.00 0.00 55.36 55.90 3rub s GLN 96 Cb 0.34 -0.22 -0.06 0.00 1.00 0.00 0.00 33.01 34.06 3rub s GLN 96 CO -0.03 -0.06 0.03 0.71 -2.12 0.00 0.00 175.29 173.83 3rub s TYR 97 N 0.49 1.90 -0.29 0.91 2.02 0.20 -0.33 117.35 122.24 3rub s TYR 97 Ca -0.04 -0.91 0.01 0.00 -0.37 0.00 0.00 57.07 55.75 3rub s TYR 97 Cb -0.07 -1.20 0.06 0.00 -0.40 0.00 0.00 41.96 40.36 3rub s TYR 97 CO -0.01 0.04 -0.04 0.42 -1.57 0.00 0.00 175.55 174.39 3rub s ILE 98 N -3.28 2.54 -0.20 2.71 1.01 0.22 -0.92 121.20 123.28 3rub s ILE 98 Ca 0.34 -1.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 3rub s ILE 98 Cb 0.08 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3rub s ILE 98 CO 0.14 -0.16 0.17 0.00 0.00 0.00 0.00 174.94 175.09 3rub s ALA 99 N 1.14 3.66 -0.28 9.38 0.00 0.39 -0.77 121.76 135.28 3rub s ALA 99 Ca -0.04 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 3rub s ALA 99 Cb -0.20 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 3rub s ALA 99 CO -0.04 0.09 0.13 0.71 0.00 0.00 0.00 175.76 176.65 3rub s TYR 100 N 0.50 3.15 -0.01 0.00 1.51 0.15 -0.62 117.35 122.02 3rub s TYR 100 Ca 0.10 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 55.90 3rub s TYR 100 Cb -0.12 -2.31 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 3rub s TYR 100 CO 0.00 -0.33 -0.20 0.08 -1.11 0.00 0.00 175.55 173.99 3rub s VAL 101 N 1.65 2.60 -0.14 0.71 1.01 0.50 -1.63 120.40 125.10 3rub s VAL 101 Ca 0.06 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3rub s VAL 101 Cb -0.16 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3rub s VAL 101 CO 0.06 0.50 -0.12 0.00 0.00 0.00 0.00 175.10 175.54 3rub s ALA 102 N -0.75 2.63 -0.05 5.51 0.00 0.63 0.21 121.76 129.93 3rub s ALA 102 Ca 0.12 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.20 3rub s ALA 102 Cb -0.10 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 3rub s ALA 102 CO 0.01 0.14 -0.25 0.71 0.00 0.00 0.00 175.76 176.38 3rub s TYR 103 N 0.53 2.38 0.44 0.00 1.51 0.22 -1.42 117.35 121.01 3rub s TYR 103 Ca -0.08 -0.67 -0.25 0.00 -1.01 0.00 0.00 57.07 55.05 3rub s TYR 103 Cb -0.16 -1.56 -0.08 0.00 -0.11 0.00 0.00 41.96 40.05 3rub s TYR 103 CO 0.04 -0.19 1.37 -2.14 -1.11 0.00 0.00 175.55 173.52 3rub s PRO 104 N -0.21 3.77 0.32 -1.71 0.02 -1.26 -0.30 135.00 135.62 3rub s PRO 104 Ca -0.02 2.29 0.06 0.00 0.02 0.00 0.00 61.00 63.35 3rub s PRO 104 Cb -0.13 -2.67 0.71 0.00 0.02 0.00 0.00 34.50 32.43 3rub s PRO 104 CO 0.03 -0.70 1.85 1.25 -0.33 0.00 0.00 177.00 179.09 3rub h LEU 105 N 2.41 0.77 -1.64 -5.54 5.85 -1.94 -2.61 115.31 112.62 3rub h LEU 105 Ca -0.50 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3rub h LEU 105 Cb 1.26 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3rub h LEU 105 CO 0.61 0.39 0.00 0.44 -0.34 0.00 0.00 178.44 179.54 3rub h ASP 106 N 0.82 0.00 1.47 1.25 5.19 -1.93 -2.29 116.42 120.93 3rub h ASP 106 Ca 0.48 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.86 3rub h ASP 106 Cb 0.65 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 3rub h ASP 106 CO -0.24 0.00 -0.14 -0.07 -3.12 0.00 0.00 179.24 175.66 3rub h LEU 107 N 0.00 0.00 -9.29 1.55 3.38 -1.85 -3.46 115.31 105.64 3rub h LEU 107 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 3rub h LEU 107 Cb 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.66 3rub h LEU 107 CO 0.00 0.14 -0.55 -0.36 0.09 0.00 0.00 178.44 177.76 3rub s PHE 108 N -3.35 3.33 -0.01 1.13 0.08 -0.86 -5.03 117.98 113.27 3rub s PHE 108 Ca 0.04 0.24 -0.30 0.00 0.12 0.00 0.00 56.93 57.02 3rub s PHE 108 Cb 0.07 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 3rub s PHE 108 CO 0.65 0.39 1.28 -2.00 -0.10 0.00 0.00 175.22 175.44 3rub s GLU 109 N -0.31 4.34 0.25 0.44 2.12 -1.26 -4.96 118.70 119.32 3rub s GLU 109 Ca 0.09 1.81 -0.31 0.00 0.36 0.00 0.00 54.97 56.92 3rub s GLU 109 Cb -0.12 -3.51 -0.14 0.00 0.26 0.00 0.00 34.13 30.62 3rub s GLU 109 CO 0.02 -0.46 1.32 0.39 -0.54 0.00 0.00 175.26 175.98 3rub n GLU 110 N 4.99 1.87 -1.14 4.30 4.71 -1.26 -2.38 120.64 131.73 3rub n GLU 110 Ca 0.11 0.66 -0.05 0.00 -0.01 0.00 0.00 57.16 57.88 3rub n GLU 110 Cb 0.45 -2.26 -0.02 0.00 -1.01 0.00 0.00 31.44 28.60 3rub n GLU 110 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3rub n GLY 111 N 1.83 0.56 3.05 0.62 0.00 -1.19 -4.98 105.19 105.09 3rub n GLY 111 Ca 0.11 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3rub n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3rub s SER 112 N -2.25 4.94 0.31 1.61 0.15 -1.00 -4.91 113.70 112.56 3rub s SER 112 Ca 0.00 -2.47 -0.00 0.00 0.70 0.00 0.00 55.95 54.18 3rub s SER 112 Cb 0.00 -1.75 0.50 0.00 -1.71 0.00 0.00 66.02 63.06 3rub s SER 112 CO 0.00 -0.40 1.92 0.58 1.20 0.00 0.00 173.24 176.54 3rub h VAL 113 N 5.97 1.20 -0.72 4.45 2.07 -1.93 -0.92 116.25 126.36 3rub h VAL 113 Ca -0.07 -0.54 0.08 0.00 0.82 0.00 0.00 66.70 66.99 3rub h VAL 113 Cb 0.98 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3rub h VAL 113 CO 0.66 0.23 0.39 0.74 0.02 0.00 0.00 177.57 179.61 3rub h THR 114 N 0.88 0.90 -0.04 2.57 2.02 -1.90 -0.75 112.91 116.58 3rub h THR 114 Ca 0.22 -0.23 -0.22 0.00 0.77 0.00 0.00 66.41 66.95 3rub h THR 114 Cb 0.07 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3rub h THR 114 CO -0.03 0.12 -0.87 -1.13 0.37 0.00 0.00 175.52 173.98 3rub h ASN 115 N 0.67 0.59 -0.47 4.18 -0.73 -1.55 -1.68 115.58 116.58 3rub h ASN 115 Ca 0.34 -0.44 0.00 0.00 1.87 0.00 0.00 56.30 58.08 3rub h ASN 115 Cb 0.31 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 3rub h ASN 115 CO -0.24 1.22 0.31 -0.03 -0.37 0.00 0.00 177.43 178.32 3rub h MET 116 N 0.29 0.63 0.01 6.67 4.05 -0.43 -2.21 114.93 123.94 3rub h MET 116 Ca -0.07 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 3rub h MET 116 Cb 1.48 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 3rub h MET 116 CO 0.15 0.42 -0.01 0.74 0.23 0.00 0.00 176.91 178.45 3rub h PHE 117 N 0.64 -0.02 -0.70 1.39 -1.00 -1.23 -2.17 116.94 113.86 3rub h PHE 117 Ca 0.17 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.03 3rub h PHE 117 Cb -0.07 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 39.43 3rub h PHE 117 CO -0.04 0.15 0.38 1.15 -1.61 0.00 0.00 178.31 178.34 3rub h THR 118 N -0.18 0.91 -0.10 -1.55 2.02 -1.05 -1.28 112.91 111.67 3rub h THR 118 Ca -0.00 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3rub h THR 118 Cb 0.18 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3rub h THR 118 CO 0.00 0.12 -0.04 0.28 0.37 0.00 0.00 175.52 176.26 3rub h SER 119 N 0.66 0.21 0.00 4.18 0.02 -1.36 -2.08 113.55 115.19 3rub h SER 119 Ca 0.33 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3rub h SER 119 Cb 0.28 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 3rub h SER 119 CO -0.23 0.56 -0.07 0.40 -1.14 0.00 0.00 176.83 176.35 3rub h ILE 120 N -0.14 0.61 -0.62 3.27 2.04 -1.22 -3.39 117.51 118.06 3rub h ILE 120 Ca 0.02 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.41 3rub h ILE 120 Cb 0.47 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3rub h ILE 120 CO 0.01 0.21 0.00 1.33 0.00 0.00 0.00 178.15 179.70 3rub n VAL 121 N -4.70 1.22 -0.14 1.67 0.24 -0.50 -4.65 118.33 111.47 3rub n VAL 121 Ca -0.05 -0.95 -0.12 0.00 -2.04 0.00 0.00 64.34 61.18 3rub n VAL 121 Cb 0.19 0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.82 3rub n VAL 121 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3rub h GLY 122 N 4.49 0.95 0.00 7.63 0.00 -1.26 -3.42 103.07 111.47 3rub h GLY 122 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3rub h GLY 122 CO 0.10 0.79 -0.84 0.70 0.00 0.00 0.00 176.54 177.29 3rub n ASN 123 N -4.20 4.02 0.26 0.19 3.02 -1.26 -4.90 115.26 112.39 3rub n ASN 123 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.65 3rub n ASN 123 Cb 0.45 0.33 0.72 0.00 -0.61 0.00 0.00 39.78 40.67 3rub n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3rub h VAL 124 N 0.00 0.71 0.00 2.41 -1.51 -1.80 -2.61 116.25 113.44 3rub h VAL 124 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 3rub h VAL 124 Cb 0.84 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 3rub h VAL 124 CO 0.00 0.10 0.00 0.49 -1.23 0.00 0.00 177.57 176.93 3rub n PHE 125 N -3.89 0.00 -0.20 5.19 3.01 -1.26 -1.11 117.46 119.20 3rub n PHE 125 Ca -0.02 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.48 3rub n PHE 125 Cb 0.19 -0.45 0.11 0.00 -0.01 0.00 0.00 39.48 39.32 3rub n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3rub n GLY 126 N -0.95 3.00 3.67 1.37 0.00 -0.98 -4.87 105.19 106.43 3rub n GLY 126 Ca 0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3rub n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3rub s PHE 127 N -1.18 1.88 0.21 1.61 5.36 -0.26 -4.89 117.98 120.71 3rub s PHE 127 Ca 0.17 0.02 -0.19 0.00 -0.96 0.00 0.00 56.93 55.97 3rub s PHE 127 Cb 0.10 -4.03 0.19 0.00 -0.34 0.00 0.00 43.02 38.93 3rub s PHE 127 CO 0.10 -4.40 1.56 -0.22 -1.46 0.00 0.00 175.22 170.80 3rub h LYS 128 N 9.52 -0.06 0.00 10.12 3.64 -1.94 -2.22 116.57 135.63 3rub h LYS 128 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3rub h LYS 128 Cb 1.20 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3rub h LYS 128 CO 0.94 -0.04 0.00 0.00 -2.27 0.00 0.00 179.45 178.08 3rub n ALA 129 N -3.34 1.49 -2.34 5.00 0.00 -1.26 -4.58 120.51 115.48 3rub n ALA 129 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 3rub n ALA 129 Cb 0.38 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.68 3rub n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3rub s LEU 130 N -1.86 2.15 -0.05 0.00 1.43 -0.83 -2.80 118.68 116.73 3rub s LEU 130 Ca 0.00 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 3rub s LEU 130 Cb 0.00 -1.36 -0.31 0.00 0.03 0.00 0.00 46.19 44.55 3rub s LEU 130 CO 0.00 0.32 0.77 -0.09 0.23 0.00 0.00 176.35 177.58 3rub h ARG 131 N 5.38 0.36 -2.24 1.70 2.43 0.22 -3.45 114.38 118.78 3rub h ARG 131 Ca -0.44 -0.62 -0.05 0.00 -0.81 0.00 0.00 59.98 58.06 3rub h ARG 131 Cb 1.13 0.23 -0.17 0.00 -0.42 0.00 0.00 29.97 30.74 3rub h ARG 131 CO 0.47 1.30 0.20 0.00 -1.51 0.00 0.00 179.97 180.43 3rub s ALA 132 N -2.51 -1.73 -0.04 2.80 0.00 -1.05 -5.05 121.76 114.16 3rub s ALA 132 Ca -0.15 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 3rub s ALA 132 Cb 0.04 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3rub s ALA 132 CO 0.85 -0.47 0.12 -1.17 0.00 0.00 0.00 175.76 175.08 3rub s LEU 133 N -1.58 1.56 -0.09 0.00 2.96 -0.91 -2.20 118.68 118.41 3rub s LEU 133 Ca -0.08 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3rub s LEU 133 Cb -0.00 0.40 0.03 0.00 0.50 0.00 0.00 46.19 47.11 3rub s LEU 133 CO 0.04 -0.04 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.39 3rub s ARG 134 N 0.06 1.08 -0.15 1.98 3.52 0.69 -0.76 118.95 125.36 3rub s ARG 134 Ca -0.00 -0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 55.22 3rub s ARG 134 Cb -0.01 -1.27 -0.01 0.00 -1.56 0.00 0.00 34.95 32.10 3rub s ARG 134 CO 0.00 -0.27 1.06 -1.17 -0.81 0.00 0.00 175.30 174.11 3rub s LEU 135 N 1.79 4.19 -0.22 -0.88 2.96 0.67 0.66 118.68 127.85 3rub s LEU 135 Ca 0.04 1.52 0.11 0.00 -0.22 0.00 0.00 54.13 55.58 3rub s LEU 135 Cb -0.12 -3.55 -0.21 0.00 0.50 0.00 0.00 46.19 42.81 3rub s LEU 135 CO -0.06 -0.57 -0.05 -0.62 -1.32 0.00 0.00 176.35 173.72 3rub n GLU 136 N 5.67 0.73 -3.47 1.98 -0.58 -0.29 -1.14 120.64 123.55 3rub n GLU 136 Ca 0.11 0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.78 3rub n GLU 136 Cb 0.47 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.82 3rub n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3rub s ASP 137 N -5.81 -0.51 0.00 1.62 -1.08 -1.17 -4.53 116.67 105.19 3rub s ASP 137 Ca -0.19 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.77 3rub s ASP 137 Cb 0.07 0.59 -0.00 0.00 -1.46 0.00 0.00 42.92 42.11 3rub s ASP 137 CO 0.71 -0.97 -0.01 -0.76 0.52 0.00 0.00 175.17 174.66 3rub s LEU 138 N -2.77 2.05 -0.36 -1.34 1.43 -1.26 -1.57 118.68 114.87 3rub s LEU 138 Ca 0.02 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3rub s LEU 138 Cb -0.01 -0.01 0.01 0.00 0.03 0.00 0.00 46.19 46.21 3rub s LEU 138 CO -0.12 -0.06 0.21 -0.60 0.23 0.00 0.00 176.35 176.01 3rub s ARG 139 N -0.34 3.08 -0.36 1.70 3.00 0.13 -4.92 118.95 121.24 3rub s ARG 139 Ca -0.03 -0.91 -0.20 0.00 -1.00 0.00 0.00 55.73 53.59 3rub s ARG 139 Cb -0.02 -3.72 0.00 0.00 0.00 0.00 0.00 34.95 31.21 3rub s ARG 139 CO -0.00 -0.59 0.60 0.42 0.00 0.00 0.00 175.30 175.73 3rub s ILE 140 N 1.61 4.92 0.71 4.11 -1.09 -1.26 -2.41 121.20 127.79 3rub s ILE 140 Ca 0.04 0.49 -0.15 0.00 -2.23 0.00 0.00 60.65 58.80 3rub s ILE 140 Cb -0.18 -4.05 0.03 0.00 -1.58 0.00 0.00 42.46 36.67 3rub s ILE 140 CO 0.07 -0.30 1.15 -2.16 -1.23 0.00 0.00 174.94 172.47 3rub s PRO 141 N 2.62 2.40 0.23 2.79 0.04 -1.26 -4.63 135.00 137.20 3rub s PRO 141 Ca 0.23 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.73 3rub s PRO 141 Cb -0.15 -1.89 0.23 0.00 0.04 0.00 0.00 34.50 32.74 3rub s PRO 141 CO 0.15 -1.59 1.87 -1.35 0.04 0.00 0.00 177.00 176.12 3rub h PRO 142 N -0.26 1.00 0.00 0.56 0.11 -1.81 0.44 132.00 132.04 3rub h PRO 142 Ca -0.47 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3rub h PRO 142 Cb 1.27 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3rub h PRO 142 CO 0.51 0.66 -0.00 0.00 -0.21 0.00 0.00 178.00 178.96 3rub h ALA 143 N 1.34 1.26 0.04 -0.75 0.00 -1.92 -2.19 119.26 117.04 3rub h ALA 143 Ca 0.32 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.86 3rub h ALA 143 Cb -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3rub h ALA 143 CO -0.11 0.00 -2.19 0.98 0.00 0.00 0.00 179.25 177.93 3rub n TYR 144 N -3.46 0.55 -0.33 0.00 9.36 -0.41 -4.18 117.16 118.69 3rub n TYR 144 Ca -0.03 0.14 0.16 0.00 3.32 0.00 0.00 57.90 61.49 3rub n TYR 144 Cb 0.08 -1.07 0.38 0.00 -0.63 0.00 0.00 39.34 38.10 3rub n TYR 144 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3rub h VAL 145 N -0.22 0.67 0.00 2.97 2.07 -0.75 -1.08 116.25 119.91 3rub h VAL 145 Ca -0.52 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3rub h VAL 145 Cb 1.84 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3rub h VAL 145 CO -0.09 0.12 0.00 0.29 0.02 0.00 0.00 177.57 177.91 3rub n LYS 146 N -4.71 0.05 -0.01 1.57 4.76 -0.84 -2.35 118.16 116.63 3rub n LYS 146 Ca 0.23 0.32 0.14 0.00 -2.87 0.00 0.00 58.31 56.13 3rub n LYS 146 Cb 0.64 -1.60 0.63 0.00 -1.84 0.00 0.00 35.03 32.87 3rub n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3rub n THR 147 N -1.69 0.01 -4.23 -0.18 -2.24 -0.41 -4.90 114.28 100.64 3rub n THR 147 Ca 0.03 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 3rub n THR 147 Cb 0.17 0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 3rub n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3rub s PHE 148 N -1.99 2.72 -0.01 4.78 0.40 -0.99 -3.19 117.98 119.71 3rub s PHE 148 Ca 0.40 -0.17 -0.19 0.00 -0.60 0.00 0.00 56.93 56.38 3rub s PHE 148 Cb 0.21 -1.41 -0.34 0.00 0.51 0.00 0.00 43.02 41.99 3rub s PHE 148 CO 0.34 0.44 0.94 0.37 0.70 0.00 0.00 175.22 178.00 3rub h GLN 149 N 3.51 0.43 0.00 0.44 4.15 -1.86 -3.50 115.11 118.28 3rub h GLN 149 Ca -0.49 -0.73 0.00 0.00 0.77 0.00 0.00 58.65 58.20 3rub h GLN 149 Cb 1.17 0.27 0.00 0.00 0.21 0.00 0.00 27.48 29.13 3rub h GLN 149 CO 0.52 1.35 0.00 0.41 -1.93 0.00 0.00 178.83 179.18 3rub n GLY 150 N 1.70 -1.27 3.75 2.39 0.00 -1.15 -4.81 105.19 105.79 3rub n GLY 150 Ca -0.16 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 3rub n GLY 150 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3rub n PRO 151 N 0.00 2.54 -0.33 1.61 -0.02 -1.24 -4.17 135.00 133.39 3rub n PRO 151 Ca 0.00 0.89 0.08 0.00 -2.02 0.00 0.00 63.50 62.45 3rub n PRO 151 Cb 0.00 -2.59 0.25 0.00 -0.02 0.00 0.00 33.50 31.14 3rub n PRO 151 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3rub h PRO 152 N 3.16 0.77 0.00 0.52 0.11 -1.82 -3.40 132.00 131.34 3rub h PRO 152 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3rub h PRO 152 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3rub h PRO 152 CO 0.66 0.51 -0.17 0.72 -0.21 0.00 0.00 178.00 179.51 3rub n HIS 153 N -4.75 -0.89 0.00 0.65 8.25 -1.26 -4.71 115.22 112.51 3rub n HIS 153 Ca 0.19 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 3rub n HIS 153 Cb 0.43 0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.90 3rub n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3rub n GLY 154 N 2.12 -0.05 0.44 -1.41 0.00 -1.26 -4.39 105.19 100.63 3rub n GLY 154 Ca 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3rub n GLY 154 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3rub h ILE 155 N 0.00 0.02 0.22 -0.61 2.04 -1.57 -0.02 117.51 117.59 3rub h ILE 155 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3rub h ILE 155 Cb 0.00 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 3rub h ILE 155 CO 0.00 0.00 -0.14 1.56 0.00 0.00 0.00 178.15 179.57 3rub h GLN 156 N -0.29 -0.34 -0.91 2.37 7.50 -1.88 -1.87 115.11 119.68 3rub h GLN 156 Ca 0.11 0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.29 3rub h GLN 156 Cb 0.56 0.08 -0.05 0.00 0.05 0.00 0.00 27.48 28.12 3rub h GLN 156 CO -0.68 -0.23 0.60 0.28 -1.50 0.00 0.00 178.83 177.31 3rub h VAL 157 N -0.36 1.23 -0.68 -0.54 2.07 -1.69 -2.72 116.25 113.57 3rub h VAL 157 Ca -0.02 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 3rub h VAL 157 Cb 0.30 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 3rub h VAL 157 CO 0.01 0.23 0.20 -0.08 0.02 0.00 0.00 177.57 177.94 3rub h GLU 158 N 1.23 1.07 -0.54 1.57 4.81 -0.82 0.48 114.58 122.39 3rub h GLU 158 Ca 0.33 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3rub h GLU 158 Cb -0.14 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 3rub h GLU 158 CO -0.07 0.94 0.18 0.00 -0.73 0.00 0.00 179.01 179.32 3rub h ARG 159 N 1.00 0.79 -0.20 1.92 3.08 -1.03 0.53 114.38 120.48 3rub h ARG 159 Ca 0.22 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3rub h ARG 159 Cb 0.33 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3rub h ARG 159 CO -0.00 0.68 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.04 3rub h ASP 160 N 0.78 0.42 -0.51 7.04 3.32 -1.30 1.63 116.42 127.80 3rub h ASP 160 Ca 0.18 -0.41 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 3rub h ASP 160 Cb 0.21 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3rub h ASP 160 CO -0.01 0.74 -0.07 0.11 -1.72 0.00 0.00 179.24 178.29 3rub h LYS 161 N 0.11 0.98 0.00 3.56 1.79 -0.53 -3.14 116.57 119.34 3rub h LYS 161 Ca 0.04 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 3rub h LYS 161 Cb 0.57 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3rub h LYS 161 CO 0.03 1.01 -0.61 -0.07 -1.08 0.00 0.00 179.45 178.72 3rub h LEU 162 N 0.89 0.00 -1.47 2.94 3.38 -0.74 -3.48 115.31 116.83 3rub h LEU 162 Ca 0.15 -0.17 -0.27 0.00 0.09 0.00 0.00 57.88 57.68 3rub h LEU 162 Cb 0.61 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.48 3rub h LEU 162 CO 0.04 0.09 -0.57 -3.20 0.09 0.00 0.00 178.44 174.89 3rub n ASN 163 N -2.21 -3.08 -3.93 -0.43 5.15 0.54 -4.58 115.26 106.72 3rub n ASN 163 Ca 0.03 -0.45 -0.28 0.00 -0.60 0.00 0.00 54.58 53.27 3rub n ASN 163 Cb 0.45 -4.02 -0.17 0.00 -0.53 0.00 0.00 39.78 35.52 3rub n ASN 163 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3rub s LYS 164 N -5.34 1.71 0.05 1.20 1.02 -0.11 -5.01 119.74 113.25 3rub s LYS 164 Ca 0.14 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.68 3rub s LYS 164 Cb -0.06 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 3rub s LYS 164 CO 0.56 -0.33 -0.06 0.71 -0.92 0.00 0.00 175.35 175.31 3rub s TYR 165 N 1.61 0.58 0.00 3.18 2.02 -1.26 -4.67 117.35 118.81 3rub s TYR 165 Ca 0.03 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 3rub s TYR 165 Cb -0.14 -0.36 0.00 0.00 -0.40 0.00 0.00 41.96 41.06 3rub s TYR 165 CO -0.09 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.15 3rub n GLY 166 N 1.09 0.68 3.61 0.71 0.00 -1.26 -5.04 105.19 104.99 3rub n GLY 166 Ca -0.20 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 3rub n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3rub s ARG 167 N -0.61 0.31 0.73 1.61 1.70 -1.26 -5.00 118.95 116.43 3rub s ARG 167 Ca 0.00 0.04 -0.16 0.00 -0.47 0.00 0.00 55.73 55.14 3rub s ARG 167 Cb 0.00 0.14 0.03 0.00 -0.57 0.00 0.00 34.95 34.55 3rub s ARG 167 CO 0.00 -0.10 1.15 -2.30 -1.08 0.00 0.00 175.30 172.96 3rub n PRO 168 N 0.48 0.56 -3.35 3.89 -0.02 -1.12 -4.79 135.00 130.64 3rub n PRO 168 Ca -0.04 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.37 3rub n PRO 168 Cb 0.58 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3rub n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3rub s LEU 169 N -4.41 4.17 -0.15 2.45 1.43 0.08 -4.93 118.68 117.31 3rub s LEU 169 Ca 0.76 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.87 3rub s LEU 169 Cb -0.33 -3.70 -0.01 0.00 0.03 0.00 0.00 46.19 42.18 3rub s LEU 169 CO 0.48 -0.07 -0.12 -0.76 0.23 0.00 0.00 176.35 176.11 3rub s LEU 170 N -2.71 2.70 0.12 1.79 1.43 -1.26 0.71 118.68 121.45 3rub s LEU 170 Ca 0.47 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 53.30 3rub s LEU 170 Cb -0.12 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3rub s LEU 170 CO 0.20 0.11 -0.23 -0.83 0.23 0.00 0.00 176.35 175.83 3rub s GLY 171 N 0.69 1.62 -0.04 -3.19 0.00 -0.38 0.65 107.32 106.67 3rub s GLY 171 Ca -0.06 -1.40 0.05 0.00 0.00 0.00 0.00 44.72 43.31 3rub s GLY 171 CO 0.02 -1.37 -0.17 0.00 0.00 0.00 0.00 173.10 171.57 3rub s THR 173 N -0.69 5.27 -0.20 0.00 2.01 0.64 -1.90 115.64 120.77 3rub s THR 173 Ca 0.11 0.14 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 3rub s THR 173 Cb -0.11 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3rub s THR 173 CO 0.00 0.41 0.60 -0.63 -0.69 0.00 0.00 174.62 174.31 3rub s ILE 174 N 0.63 5.04 0.14 1.82 -1.09 -1.25 -4.59 121.20 121.91 3rub s ILE 174 Ca 0.07 1.11 0.08 0.00 -2.23 0.00 0.00 60.65 59.68 3rub s ILE 174 Cb -0.12 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 3rub s ILE 174 CO 0.01 0.12 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.12 3rub s LYS 175 N 1.88 1.18 1.10 2.79 1.02 -1.26 -4.40 119.74 122.04 3rub s LYS 175 Ca 0.27 -1.31 -0.12 0.00 0.02 0.00 0.00 55.97 54.83 3rub s LYS 175 Cb -0.16 -1.24 0.25 0.00 -0.52 0.00 0.00 37.83 36.16 3rub s LYS 175 CO 0.10 0.26 1.05 -1.25 -0.92 0.00 0.00 175.35 174.59 3rub s PRO 176 N -2.55 -0.39 0.17 -1.68 0.04 -1.26 -5.09 135.00 124.25 3rub s PRO 176 Ca 0.12 0.91 -0.08 0.00 0.04 0.00 0.00 61.00 61.99 3rub s PRO 176 Cb -0.07 -1.61 0.05 0.00 0.04 0.00 0.00 34.50 32.91 3rub s PRO 176 CO 0.05 -3.39 1.55 0.87 0.04 0.00 0.00 177.00 176.12 3rub h LYS 177 N -2.39 0.91 -4.89 4.56 1.57 -2.02 -3.46 116.57 110.85 3rub h LYS 177 Ca -0.57 -0.41 -0.32 0.00 -1.87 0.00 0.00 60.65 57.47 3rub h LYS 177 Cb 1.32 -0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.47 3rub h LYS 177 CO 0.50 1.07 -0.65 -0.51 -0.57 0.00 0.00 179.45 179.28 3rub s LEU 178 N -8.96 2.02 0.00 2.94 1.43 -1.26 -4.61 118.68 110.25 3rub s LEU 178 Ca -0.11 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 3rub s LEU 178 Cb 0.12 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.25 3rub s LEU 178 CO 0.86 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3rub n GLY 179 N -0.33 0.78 3.85 -3.19 0.00 -1.26 -5.07 105.19 99.96 3rub n GLY 179 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3rub n GLY 179 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3rub s LEU 180 N 0.00 4.20 0.59 0.99 2.96 -1.26 -5.04 118.68 121.12 3rub s LEU 180 Ca 0.00 1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 54.95 3rub s LEU 180 Cb 0.00 -3.71 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3rub s LEU 180 CO 0.00 -0.06 1.00 -0.94 -1.32 0.00 0.00 176.35 175.03 3rub s SER 181 N -2.08 6.30 0.11 3.68 1.04 -1.26 -4.51 113.70 116.98 3rub s SER 181 Ca 0.47 1.41 -0.22 0.00 0.48 0.00 0.00 55.95 58.09 3rub s SER 181 Cb -0.13 -2.46 -0.10 0.00 0.10 0.00 0.00 66.02 63.44 3rub s SER 181 CO 0.19 -0.80 1.72 0.00 0.98 0.00 0.00 173.24 175.34 3rub h ALA 182 N -0.06 0.03 -0.68 5.32 0.00 -1.93 0.27 119.26 122.22 3rub h ALA 182 Ca -0.45 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3rub h ALA 182 Cb 1.19 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3rub h ALA 182 CO 0.62 -0.51 0.21 -0.22 0.00 0.00 0.00 179.25 179.36 3rub h LYS 183 N -0.03 1.04 -0.25 0.00 3.64 -1.93 -2.43 116.57 116.61 3rub h LYS 183 Ca 0.04 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 3rub h LYS 183 Cb 0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3rub h LYS 183 CO -0.09 0.89 -0.36 -0.91 -2.27 0.00 0.00 179.45 176.71 3rub h ASN 184 N 1.00 0.57 -0.00 4.20 2.35 -1.84 -2.33 115.58 119.53 3rub h ASN 184 Ca 0.22 -0.23 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3rub h ASN 184 Cb 0.28 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 3rub h ASN 184 CO -0.01 0.88 -0.37 0.22 -1.65 0.00 0.00 177.43 176.50 3rub h TYR 185 N 0.46 -1.02 -0.28 1.19 3.20 -0.17 -1.71 116.97 118.64 3rub h TYR 185 Ca 0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3rub h TYR 185 Cb 0.83 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 3rub h TYR 185 CO 0.03 -0.45 0.15 0.78 -1.64 0.00 0.00 178.16 177.03 3rub h GLY 186 N -0.52 0.41 1.03 1.82 0.00 -1.34 0.46 103.07 104.92 3rub h GLY 186 Ca 0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3rub h GLY 186 CO -0.29 0.16 -0.05 -0.09 0.00 0.00 0.00 176.54 176.27 3rub h ARG 187 N 0.39 0.90 -0.07 4.80 2.43 -0.84 0.48 114.38 122.48 3rub h ARG 187 Ca 0.10 -0.31 -0.14 0.00 -0.81 0.00 0.00 59.98 58.82 3rub h ARG 187 Cb 0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3rub h ARG 187 CO -0.02 0.96 -0.57 0.00 -1.51 0.00 0.00 179.97 178.83 3rub h ALA 188 N 0.91 0.91 -0.20 2.80 0.00 -0.86 -1.81 119.26 121.03 3rub h ALA 188 Ca 0.13 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3rub h ALA 188 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3rub h ALA 188 CO 0.04 0.71 0.01 0.28 0.00 0.00 0.00 179.25 180.29 3rub h VAL 189 N 0.16 1.24 -0.38 0.00 2.07 -0.28 -2.25 116.25 116.81 3rub h VAL 189 Ca -0.00 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3rub h VAL 189 Cb 1.05 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3rub h VAL 189 CO 0.09 0.25 0.22 0.22 0.02 0.00 0.00 177.57 178.36 3rub h TYR 190 N 0.11 0.51 -0.26 1.57 3.20 -0.86 -1.50 116.97 119.74 3rub h TYR 190 Ca 0.06 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3rub h TYR 190 Cb 0.36 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3rub h TYR 190 CO 0.03 0.38 0.15 0.93 -1.64 0.00 0.00 178.16 178.01 3rub h GLU 191 N 0.49 0.35 -0.05 1.82 4.39 -1.30 -1.48 114.58 118.81 3rub h GLU 191 Ca 0.13 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 3rub h GLU 191 Cb 0.03 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3rub h GLU 191 CO -0.02 0.29 0.02 0.00 -1.16 0.00 0.00 179.01 178.14 3rub h LEU 193 N -0.08 0.76 -1.17 0.00 3.38 -1.17 -3.01 115.31 114.03 3rub h LEU 193 Ca 0.02 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3rub h LEU 193 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3rub h LEU 193 CO -0.00 0.84 0.00 -2.11 0.09 0.00 0.00 178.44 177.26 3rub n ARG 194 N -4.43 0.17 0.00 1.13 1.85 -0.57 -1.98 116.66 112.84 3rub n ARG 194 Ca 0.01 0.55 0.14 0.00 -1.00 0.00 0.00 57.85 57.55 3rub n ARG 194 Cb 0.26 -1.94 0.54 0.00 -1.05 0.00 0.00 32.46 30.26 3rub n ARG 194 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3rub n GLY 195 N -0.73 -1.01 0.00 2.89 0.00 -1.14 -4.87 105.19 100.33 3rub n GLY 195 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3rub n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rub n GLY 196 N 1.34 0.84 3.85 -0.02 0.00 -0.84 -2.23 105.19 108.13 3rub n GLY 196 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3rub n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3rub s LEU 197 N 0.00 4.00 -0.05 0.99 1.02 -1.23 -4.86 118.68 118.56 3rub s LEU 197 Ca 0.00 1.32 -0.06 0.00 0.02 0.00 0.00 54.13 55.41 3rub s LEU 197 Cb 0.00 -4.14 -0.28 0.00 0.02 0.00 0.00 46.19 41.79 3rub s LEU 197 CO 0.00 -0.26 0.67 0.44 0.02 0.00 0.00 176.35 177.22 3rub h ASP 198 N 2.04 0.45 -4.11 2.29 3.32 -0.11 -3.43 116.42 116.87 3rub h ASP 198 Ca -0.48 -0.73 -0.35 0.00 0.02 0.00 0.00 57.03 55.49 3rub h ASP 198 Cb 1.18 -0.15 -0.17 0.00 0.22 0.00 0.00 39.33 40.41 3rub h ASP 198 CO 0.65 1.63 -0.73 -0.36 -1.72 0.00 0.00 179.24 178.70 3rub s PHE 199 N -2.59 1.24 0.22 4.55 0.08 -0.65 -2.08 117.98 118.75 3rub s PHE 199 Ca -0.14 -0.67 0.10 0.00 0.12 0.00 0.00 56.93 56.34 3rub s PHE 199 Cb 0.06 -0.65 -0.05 0.00 -0.57 0.00 0.00 43.02 41.82 3rub s PHE 199 CO 0.83 0.08 -0.19 0.95 -0.10 0.00 0.00 175.22 176.79 3rub s THR 200 N -2.72 2.15 -0.02 0.64 -4.23 -0.93 -0.31 115.64 110.23 3rub s THR 200 Ca 0.11 -2.18 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 3rub s THR 200 Cb -0.01 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3rub s THR 200 CO 0.01 -0.36 -0.07 -0.75 -0.54 0.00 0.00 174.62 172.91 3rub s LYS 201 N -3.20 0.66 0.38 3.99 2.20 -0.80 -0.82 119.74 122.16 3rub s LYS 201 Ca 0.23 -0.22 -0.25 0.00 -0.36 0.00 0.00 55.97 55.37 3rub s LYS 201 Cb -0.05 -0.64 -0.09 0.00 -1.51 0.00 0.00 37.83 35.54 3rub s LYS 201 CO 0.10 0.10 1.07 -0.51 -0.36 0.00 0.00 175.35 175.76 3rub s ASP 202 N 0.10 6.80 0.60 1.43 1.01 -1.01 -3.79 116.67 121.81 3rub s ASP 202 Ca -0.01 2.12 -0.19 0.00 0.71 0.00 0.00 52.55 55.18 3rub s ASP 202 Cb -0.06 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 3rub s ASP 202 CO -0.00 -0.47 1.24 -0.62 0.21 0.00 0.00 175.17 175.54 3rub s ASP 203 N -1.39 5.04 0.61 0.27 -1.08 -1.26 -4.87 116.67 113.99 3rub s ASP 203 Ca 0.55 2.49 0.36 0.00 -0.52 0.00 0.00 52.55 55.43 3rub s ASP 203 Cb -0.25 -2.61 1.96 0.00 -1.46 0.00 0.00 42.92 40.56 3rub s ASP 203 CO 0.31 -1.70 2.24 1.05 0.52 0.00 0.00 175.17 177.60 3rub h GLU 204 N 0.86 0.00 0.00 4.34 9.09 -1.94 -1.53 114.58 125.40 3rub h GLU 204 Ca -0.51 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 58.87 3rub h GLU 204 Cb 1.31 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.40 3rub h GLU 204 CO 0.55 0.02 -0.72 -0.91 0.05 0.00 0.00 179.01 178.00 3rub h ASN 205 N 0.00 0.00 -3.32 3.06 2.35 -1.89 -3.44 115.58 112.34 3rub h ASN 205 Ca -0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3rub h ASN 205 Cb 0.12 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 3rub h ASN 205 CO 0.00 0.14 0.90 0.68 -1.65 0.00 0.00 177.43 177.51 3rub s VAL 206 N -3.21 4.34 0.00 2.81 -7.23 -0.58 -4.82 120.40 111.71 3rub s VAL 206 Ca 0.02 1.51 0.00 0.00 -1.81 0.00 0.00 61.98 61.70 3rub s VAL 206 Cb 0.08 -4.36 0.00 0.00 0.56 0.00 0.00 36.38 32.66 3rub s VAL 206 CO 0.75 -0.56 0.00 0.59 -0.31 0.00 0.00 175.10 175.57 3rub n ASN 207 N 7.27 0.00 -3.72 4.85 5.03 -1.26 -4.75 115.26 122.69 3rub n ASN 207 Ca 0.13 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.41 3rub n ASN 207 Cb 0.47 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.06 3rub n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3rub s SER 208 N 1.00 0.59 0.23 6.41 0.15 -1.26 -4.06 113.70 116.76 3rub s SER 208 Ca 0.00 0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 3rub s SER 208 Cb 0.00 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 3rub s SER 208 CO 0.00 -0.19 0.18 -1.10 1.20 0.00 0.00 173.24 173.33 3rub s GLN 209 N 1.64 1.32 0.29 5.44 1.11 0.14 -4.88 119.66 124.72 3rub s GLN 209 Ca -0.02 -1.66 0.03 0.00 0.01 0.00 0.00 55.36 53.72 3rub s GLN 209 Cb -0.12 0.30 0.67 0.00 -1.01 0.00 0.00 33.01 32.84 3rub s GLN 209 CO -0.03 -0.45 1.75 -1.35 0.01 0.00 0.00 175.29 175.21 3rub h PRO 210 N 2.51 0.60 0.00 2.91 0.11 -2.01 -0.32 132.00 135.80 3rub h PRO 210 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3rub h PRO 210 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3rub h PRO 210 CO 0.49 0.40 0.00 0.27 -0.21 0.00 0.00 178.00 178.95 3rub h PHE 211 N 0.62 0.00 -0.64 0.65 -0.00 -1.96 -3.42 116.94 112.18 3rub h PHE 211 Ca 0.54 0.00 0.15 0.00 -0.00 0.00 0.00 57.97 58.66 3rub h PHE 211 Cb 0.87 0.00 -0.21 0.00 -0.00 0.00 0.00 35.95 36.61 3rub h PHE 211 CO -0.07 0.00 -0.12 1.41 -0.00 0.00 0.00 178.31 179.54 3rub s MET 212 N -3.25 0.36 0.39 6.09 0.00 -0.14 -4.31 119.30 118.44 3rub s MET 212 Ca 0.07 0.52 -0.16 0.00 0.00 0.00 0.00 55.69 56.12 3rub s MET 212 Cb 0.10 0.27 -0.09 0.00 0.00 0.00 0.00 34.83 35.11 3rub s MET 212 CO 0.56 -0.51 0.84 1.03 0.00 0.00 0.00 175.02 176.93 3rub s ARG 213 N 2.90 4.03 0.20 4.11 1.81 -1.14 0.26 118.95 131.12 3rub s ARG 213 Ca 0.13 0.81 -0.10 0.00 -1.72 0.00 0.00 55.73 54.85 3rub s ARG 213 Cb -0.10 -2.31 0.14 0.00 -0.45 0.00 0.00 34.95 32.23 3rub s ARG 213 CO -0.19 0.02 1.79 0.11 -0.68 0.00 0.00 175.30 176.35 3rub h TRP 214 N 1.83 1.05 -0.67 -0.53 5.08 -1.90 -2.52 115.95 118.29 3rub h TRP 214 Ca -0.48 -0.05 -0.03 0.00 1.08 0.00 0.00 58.89 59.41 3rub h TRP 214 Cb 1.18 -0.33 -0.03 0.00 -3.00 0.00 0.00 29.16 26.98 3rub h TRP 214 CO 0.62 0.77 0.29 -0.09 -1.28 0.00 0.00 178.44 178.75 3rub h ARG 215 N 1.03 1.00 -0.13 0.12 2.43 -1.94 -0.12 114.38 116.77 3rub h ARG 215 Ca 0.25 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3rub h ARG 215 Cb 0.11 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3rub h ARG 215 CO -0.03 0.82 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.75 3rub h ASP 216 N 0.95 -0.17 -0.40 -3.80 3.32 -1.94 -1.56 116.42 112.81 3rub h ASP 216 Ca 0.23 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.38 3rub h ASP 216 Cb 0.18 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3rub h ASP 216 CO -0.02 -0.07 0.11 -0.09 -1.72 0.00 0.00 179.24 177.45 3rub h ARG 217 N -0.03 0.24 -0.22 3.56 2.43 -0.96 -1.91 114.38 117.49 3rub h ARG 217 Ca 0.07 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3rub h ARG 217 Cb 0.13 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 3rub h ARG 217 CO -0.15 0.16 -0.03 0.74 -1.51 0.00 0.00 179.97 179.18 3rub h PHE 218 N 0.25 -0.06 0.10 2.20 -1.00 -0.79 0.18 116.94 117.82 3rub h PHE 218 Ca 0.19 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3rub h PHE 218 Cb 0.21 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 3rub h PHE 218 CO -0.18 -0.07 -0.11 1.25 -1.61 0.00 0.00 178.31 177.59 3rub h LEU 219 N 0.03 -0.30 -0.52 1.54 6.46 -1.12 0.17 115.31 121.58 3rub h LEU 219 Ca 0.11 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 3rub h LEU 219 Cb 0.15 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3rub h LEU 219 CO -0.21 -0.17 0.13 -0.26 -0.62 0.00 0.00 178.44 177.31 3rub h PHE 220 N -0.24 0.88 -0.84 1.25 0.04 -1.17 -0.90 116.94 115.95 3rub h PHE 220 Ca 0.01 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 3rub h PHE 220 Cb 0.24 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 3rub h PHE 220 CO -0.12 0.77 0.40 0.00 -0.60 0.00 0.00 178.31 178.76 3rub h ALA 222 N 1.24 0.25 -0.42 0.00 0.00 -0.40 0.63 119.26 120.55 3rub h ALA 222 Ca 0.29 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3rub h ALA 222 Cb 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3rub h ALA 222 CO -0.04 -0.22 0.03 1.49 0.00 0.00 0.00 179.25 180.52 3rub h GLU 223 N 0.20 0.14 -0.25 0.00 4.81 -0.50 -1.04 114.58 117.94 3rub h GLU 223 Ca 0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3rub h GLU 223 Cb 0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3rub h GLU 223 CO -0.01 0.09 0.15 0.00 -0.73 0.00 0.00 179.01 178.51 3rub h ALA 224 N 1.35 0.32 -0.22 2.92 0.00 -0.86 -2.37 119.26 120.41 3rub h ALA 224 Ca 0.21 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3rub h ALA 224 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3rub h ALA 224 CO -0.32 -0.16 -0.28 1.37 0.00 0.00 0.00 179.25 179.86 3rub h LEU 225 N 0.31 0.43 -0.71 0.00 8.10 0.70 -1.66 115.31 122.47 3rub h LEU 225 Ca 0.09 -0.15 -0.09 0.00 0.11 0.00 0.00 57.88 57.84 3rub h LEU 225 Cb 0.04 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.12 3rub h LEU 225 CO -0.02 0.70 0.03 1.88 -4.11 0.00 0.00 178.44 176.93 3rub h TYR 226 N 0.37 1.10 -0.36 0.17 0.05 -1.10 0.65 116.97 117.85 3rub h TYR 226 Ca 0.05 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 3rub h TYR 226 Cb 0.69 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 3rub h TYR 226 CO 0.02 0.96 0.13 -0.22 -1.05 0.00 0.00 178.16 178.00 3rub h LYS 227 N 0.94 0.55 -0.54 4.88 3.64 -1.24 0.00 116.57 124.82 3rub h LYS 227 Ca 0.18 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 3rub h LYS 227 Cb 0.50 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3rub h LYS 227 CO 0.02 0.56 -0.11 0.00 -2.27 0.00 0.00 179.45 177.65 3rub h ALA 228 N 0.97 0.79 -0.43 5.00 0.00 -0.99 -1.93 119.26 122.67 3rub h ALA 228 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3rub h ALA 228 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3rub h ALA 228 CO -0.01 0.67 0.25 0.37 0.00 0.00 0.00 179.25 180.53 3rub h GLN 229 N 0.90 0.49 -0.42 0.00 4.15 -0.59 -1.84 115.11 117.80 3rub h GLN 229 Ca 0.14 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 3rub h GLN 229 Cb 0.67 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 3rub h GLN 229 CO 0.05 0.32 0.06 0.00 -1.93 0.00 0.00 178.83 177.33 3rub h ALA 230 N 1.19 1.33 -0.04 3.38 0.00 -0.84 0.58 119.26 124.86 3rub h ALA 230 Ca 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3rub h ALA 230 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3rub h ALA 230 CO -0.08 0.47 -0.15 1.49 0.00 0.00 0.00 179.25 180.97 3rub h GLU 231 N 0.62 0.17 0.00 0.00 4.81 -1.15 -3.36 114.58 115.67 3rub h GLU 231 Ca 0.14 -0.13 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 3rub h GLU 231 Cb 0.30 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 3rub h GLU 231 CO 0.00 0.77 -1.56 0.25 -0.73 0.00 0.00 179.01 177.75 3rub n THR 232 N -4.61 1.36 -0.51 0.32 -2.24 -0.71 -4.97 114.28 102.93 3rub n THR 232 Ca -0.08 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3rub n THR 232 Cb 0.40 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 3rub n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3rub n GLY 233 N 1.47 0.75 3.50 3.38 0.00 0.19 -5.05 105.19 109.42 3rub n GLY 233 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3rub n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3rub s GLU 234 N -0.49 2.28 0.29 1.61 2.02 -1.24 -5.04 118.70 118.13 3rub s GLU 234 Ca 0.00 -0.86 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 3rub s GLU 234 Cb 0.00 -2.31 -0.10 0.00 0.10 0.00 0.00 34.13 31.82 3rub s GLU 234 CO 0.00 0.57 1.40 0.42 0.02 0.00 0.00 175.26 177.67 3rub s ILE 235 N -0.93 2.60 0.27 -1.63 1.01 -1.26 -4.48 121.20 116.79 3rub s ILE 235 Ca 0.15 0.55 0.11 0.00 0.00 0.00 0.00 60.65 61.46 3rub s ILE 235 Cb -0.11 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 3rub s ILE 235 CO 0.05 0.11 -0.16 -0.54 0.00 0.00 0.00 174.94 174.41 3rub s LYS 236 N -1.10 1.82 0.02 2.79 -0.14 -1.26 -4.90 119.74 116.97 3rub s LYS 236 Ca 0.55 -1.67 -0.10 0.00 -1.36 0.00 0.00 55.97 53.38 3rub s LYS 236 Cb -0.42 -1.87 0.01 0.00 -1.68 0.00 0.00 37.83 33.87 3rub s LYS 236 CO 0.49 0.34 0.22 0.20 -0.76 0.00 0.00 175.35 175.84 3rub s GLY 237 N -3.50 -0.02 -0.10 -3.33 0.00 -0.89 -4.76 107.32 94.73 3rub s GLY 237 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.92 3rub s GLY 237 CO 0.16 -0.28 -0.10 -1.58 0.00 0.00 0.00 173.10 171.30 3rub s HIS 238 N -2.07 1.52 -0.61 1.90 2.46 -1.26 -2.18 115.29 115.06 3rub s HIS 238 Ca -0.09 -0.70 -0.27 0.00 0.47 0.00 0.00 55.06 54.48 3rub s HIS 238 Cb -0.03 -1.19 -0.01 0.00 -0.13 0.00 0.00 32.58 31.22 3rub s HIS 238 CO -0.01 -0.44 1.68 0.71 -2.47 0.00 0.00 174.74 174.21 3rub s TYR 239 N 1.30 1.89 -0.35 3.88 2.02 0.00 -4.57 117.35 121.51 3rub s TYR 239 Ca -0.02 0.57 -0.27 0.00 -0.37 0.00 0.00 57.07 56.97 3rub s TYR 239 Cb -0.14 -4.24 0.02 0.00 -0.40 0.00 0.00 41.96 37.20 3rub s TYR 239 CO -0.04 -2.26 1.00 -0.51 -1.57 0.00 0.00 175.55 172.17 3rub s LEU 240 N 7.82 3.94 -0.01 -1.29 1.43 -1.22 -2.40 118.68 126.96 3rub s LEU 240 Ca 0.60 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.19 3rub s LEU 240 Cb -0.12 -3.40 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 3rub s LEU 240 CO 0.21 -0.88 1.29 0.21 0.23 0.00 0.00 176.35 177.41 3rub s ASN 241 N 1.80 6.97 0.00 2.29 3.84 -1.26 0.09 114.94 128.67 3rub s ASN 241 Ca 0.42 1.98 0.12 0.00 0.21 0.00 0.00 52.86 55.59 3rub s ASN 241 Cb -0.12 -2.56 0.17 0.00 -0.55 0.00 0.00 41.25 38.19 3rub s ASN 241 CO 0.18 -0.62 1.01 0.00 -2.79 0.00 0.00 177.10 174.87 3rub n ALA 242 N 5.04 2.39 -1.70 1.71 0.00 -0.45 -4.86 120.51 122.65 3rub n ALA 242 Ca 0.12 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.35 3rub n ALA 242 Cb 0.45 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 3rub n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3rub n THR 243 N 0.66 1.44 -3.95 0.00 -1.04 -1.25 -4.37 114.28 105.77 3rub n THR 243 Ca 0.09 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.05 61.64 3rub n THR 243 Cb 0.35 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 3rub n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3rub s ALA 244 N -0.53 -0.35 0.38 2.41 0.00 -1.26 -4.79 121.76 117.62 3rub s ALA 244 Ca 0.62 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.81 3rub s ALA 244 Cb -0.59 0.97 0.76 0.00 0.00 0.00 0.00 23.12 24.26 3rub s ALA 244 CO 0.55 -0.90 1.90 0.78 0.00 0.00 0.00 175.76 178.09 3rub h GLY 245 N 2.13 0.27 -3.35 0.00 0.00 -1.95 -3.46 103.07 96.71 3rub h GLY 245 Ca -0.26 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 3rub h GLY 245 CO 0.34 0.15 -0.68 -0.51 0.00 0.00 0.00 176.54 175.85 3rub s THR 246 N -4.71 0.25 0.31 4.70 -4.23 -1.26 -5.05 115.64 105.65 3rub s THR 246 Ca -0.05 -1.76 -0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3rub s THR 246 Cb 0.15 -1.44 0.22 0.00 1.34 0.00 0.00 72.50 72.77 3rub s THR 246 CO 0.73 -0.95 1.92 0.00 -0.54 0.00 0.00 174.62 175.78 3rub h GLU 248 N 0.90 0.32 -0.60 0.00 3.07 -1.99 0.05 114.58 116.33 3rub h GLU 248 Ca 0.23 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 3rub h GLU 248 Cb 0.06 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3rub h GLU 248 CO -0.03 0.30 0.09 1.49 -1.40 0.00 0.00 179.01 179.45 3rub h GLU 249 N 0.25 0.97 -0.32 2.33 4.57 -1.90 -1.16 114.58 119.32 3rub h GLU 249 Ca 0.08 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3rub h GLU 249 Cb 0.07 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3rub h GLU 249 CO -0.01 0.90 0.16 1.98 -1.18 0.00 0.00 179.01 180.85 3rub h MET 250 N 0.91 0.46 -0.80 1.92 4.05 -1.01 -2.27 114.93 118.19 3rub h MET 250 Ca 0.18 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.49 3rub h MET 250 Cb 0.41 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 3rub h MET 250 CO 0.01 0.42 0.31 0.82 0.23 0.00 0.00 176.91 178.70 3rub h ILE 251 N 0.38 1.26 -0.79 1.77 1.08 -0.72 -2.49 117.51 118.01 3rub h ILE 251 Ca 0.11 -0.84 0.07 0.00 -0.39 0.00 0.00 64.86 63.80 3rub h ILE 251 Cb 0.11 0.32 -0.05 0.00 -3.07 0.00 0.00 36.82 34.13 3rub h ILE 251 CO -0.01 0.34 0.51 0.50 -0.69 0.00 0.00 178.15 178.80 3rub h LYS 252 N 1.17 0.81 -0.15 2.37 3.64 -1.04 0.18 116.57 123.54 3rub h LYS 252 Ca 0.26 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 3rub h LYS 252 Cb 0.23 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3rub h LYS 252 CO -0.02 0.53 -0.41 0.00 -2.27 0.00 0.00 179.45 177.28 3rub h ARG 253 N 0.83 0.55 -0.54 1.90 3.08 -1.05 -2.97 114.38 116.18 3rub h ARG 253 Ca 0.34 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3rub h ARG 253 Cb 0.27 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3rub h ARG 253 CO -0.12 1.00 0.24 0.00 -1.07 0.00 0.00 179.97 180.02 3rub h ALA 254 N 0.54 1.41 -0.74 0.04 0.00 -1.01 -2.21 119.26 117.29 3rub h ALA 254 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3rub h ALA 254 Cb 1.03 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 3rub h ALA 254 CO 0.09 0.46 0.42 0.28 0.00 0.00 0.00 179.25 180.50 3rub h VAL 255 N 0.77 0.94 -0.17 0.00 2.07 -0.92 0.12 116.25 119.06 3rub h VAL 255 Ca 0.19 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 3rub h VAL 255 Cb 0.11 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3rub h VAL 255 CO -0.02 0.13 -0.65 0.15 0.02 0.00 0.00 177.57 177.20 3rub h PHE 256 N 0.74 0.84 -0.67 1.57 3.57 -1.27 -0.08 116.94 121.63 3rub h PHE 256 Ca 0.34 -0.33 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3rub h PHE 256 Cb 0.26 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 3rub h PHE 256 CO -0.07 1.12 0.41 0.00 -2.23 0.00 0.00 178.31 177.53 3rub h ALA 257 N 0.80 0.87 -0.43 2.41 0.00 -0.78 -0.43 119.26 121.71 3rub h ALA 257 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3rub h ALA 257 Cb 1.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3rub h ALA 257 CO 0.13 0.16 0.26 -0.09 0.00 0.00 0.00 179.25 179.71 3rub h ARG 258 N 0.80 0.52 -0.80 0.00 1.12 -0.39 -2.20 114.38 113.43 3rub h ARG 258 Ca 0.27 -0.03 0.02 0.00 -1.11 0.00 0.00 59.98 59.13 3rub h ARG 258 Cb 0.04 -0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 29.84 3rub h ARG 258 CO -0.11 0.34 0.53 1.49 -3.11 0.00 0.00 179.97 179.10 3rub h GLU 259 N 0.53 1.00 0.00 0.20 4.81 -0.51 -1.35 114.58 119.26 3rub h GLU 259 Ca 0.17 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3rub h GLU 259 Cb -0.01 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.14 3rub h GLU 259 CO -0.06 0.66 0.00 1.28 -0.73 0.00 0.00 179.01 180.16 3rub n LEU 260 N -4.43 0.67 0.00 1.64 4.77 -0.22 -4.91 117.00 114.52 3rub n LEU 260 Ca 0.10 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 3rub n LEU 260 Cb 0.08 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3rub n LEU 260 CO 0.35 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 3rub n GLY 261 N 0.46 0.43 3.88 -0.72 0.00 -0.51 -5.04 105.19 103.68 3rub n GLY 261 Ca 0.03 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 3rub n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3rub s VAL 262 N -2.00 4.75 -0.18 1.61 -7.23 -1.20 -5.02 120.40 111.13 3rub s VAL 262 Ca 0.00 0.71 0.17 0.00 -1.81 0.00 0.00 61.98 61.05 3rub s VAL 262 Cb 0.00 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 33.12 3rub s VAL 262 CO 0.00 -1.03 1.26 1.55 -0.31 0.00 0.00 175.10 176.57 3rub h PRO 263 N -0.06 0.00 -3.30 4.82 0.13 -1.92 -3.45 132.00 128.23 3rub h PRO 263 Ca -0.45 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.52 3rub h PRO 263 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 3rub h PRO 263 CO 0.62 0.35 -0.46 -1.50 -0.23 0.00 0.00 178.00 176.78 3rub s ILE 264 N -3.01 0.03 0.44 -3.56 2.07 -1.26 -0.33 121.20 115.57 3rub s ILE 264 Ca 0.02 -0.25 0.05 0.00 -1.41 0.00 0.00 60.65 59.05 3rub s ILE 264 Cb 0.08 -0.37 -0.05 0.00 0.13 0.00 0.00 42.46 42.25 3rub s ILE 264 CO 0.76 -0.14 0.02 0.68 -1.91 0.00 0.00 174.94 174.35 3rub s VAL 265 N -0.48 1.58 0.05 4.00 -7.23 -0.78 -3.40 120.40 114.14 3rub s VAL 265 Ca -0.06 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 3rub s VAL 265 Cb -0.04 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 3rub s VAL 265 CO 0.01 0.00 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.42 3rub s MET 266 N -3.78 0.52 -0.01 4.82 1.75 0.11 -1.94 119.30 120.77 3rub s MET 266 Ca 0.24 -0.85 -0.11 0.00 -1.25 0.00 0.00 55.69 53.73 3rub s MET 266 Cb 0.07 -0.13 0.01 0.00 2.84 0.00 0.00 34.83 37.62 3rub s MET 266 CO 0.12 -0.00 0.23 -1.58 -0.65 0.00 0.00 175.02 173.14 3rub s HIS 267 N -1.96 -0.09 -0.96 4.11 5.04 -0.64 -1.34 115.29 119.46 3rub s HIS 267 Ca -0.07 0.12 -0.13 0.00 -1.54 0.00 0.00 55.06 53.44 3rub s HIS 267 Cb -0.06 0.03 0.22 0.00 0.04 0.00 0.00 32.58 32.81 3rub s HIS 267 CO -0.02 -0.32 0.97 -0.51 -2.34 0.00 0.00 174.74 172.52 3rub s ASP 268 N -1.23 6.95 0.48 9.88 1.01 -1.26 0.06 116.67 132.56 3rub s ASP 268 Ca -0.13 -2.92 0.16 0.00 0.71 0.00 0.00 52.55 50.37 3rub s ASP 268 Cb -0.06 -2.25 1.17 0.00 1.01 0.00 0.00 42.92 42.79 3rub s ASP 268 CO 0.03 -0.55 2.07 0.10 0.21 0.00 0.00 175.17 177.02 3rub h TYR 269 N 7.51 0.19 0.10 4.23 -0.00 -1.90 -1.03 116.97 126.08 3rub h TYR 269 Ca 0.15 0.00 -0.28 0.00 -0.00 0.00 0.00 58.73 58.61 3rub h TYR 269 Cb 0.97 -0.06 -0.01 0.00 -0.00 0.00 0.00 36.73 37.63 3rub h TYR 269 CO 0.97 0.11 -1.37 -0.07 -0.00 0.00 0.00 178.16 177.80 3rub h LEU 270 N 0.19 0.33 0.10 0.10 3.38 -1.78 -0.12 115.31 117.51 3rub h LEU 270 Ca 0.14 -0.41 -0.27 0.00 0.09 0.00 0.00 57.88 57.42 3rub h LEU 270 Cb 0.30 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 40.97 3rub h LEU 270 CO -0.02 1.34 -1.12 0.71 0.09 0.00 0.00 178.44 179.43 3rub h THR 271 N 0.06 1.31 -0.13 0.22 1.35 -1.70 -3.28 112.91 110.75 3rub h THR 271 Ca -0.18 -2.40 -0.01 0.00 -0.55 0.00 0.00 66.41 63.27 3rub h THR 271 Cb 1.97 2.69 -0.01 0.00 -1.73 0.00 0.00 68.15 71.07 3rub h THR 271 CO 0.17 0.72 0.02 1.23 -0.25 0.00 0.00 175.52 177.42 3rub h GLY 272 N 0.20 0.23 0.00 5.82 0.00 -1.33 -3.49 103.07 104.49 3rub h GLY 272 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3rub h GLY 272 CO 0.22 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.50 3rub n GLY 273 N -0.46 2.81 0.29 4.60 0.00 -0.06 -4.65 105.19 107.73 3rub n GLY 273 Ca -0.05 -1.88 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 3rub n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3rub h PHE 274 N 0.00 0.81 -0.43 1.61 0.04 -1.89 -1.36 116.94 115.73 3rub h PHE 274 Ca 0.00 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 3rub h PHE 274 Cb 0.00 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 3rub h PHE 274 CO 0.00 0.74 0.27 1.15 -0.60 0.00 0.00 178.31 179.87 3rub h THR 275 N 0.73 1.13 -0.41 -1.55 2.02 -1.93 -1.58 112.91 111.31 3rub h THR 275 Ca 0.15 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 3rub h THR 275 Cb 0.40 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3rub h THR 275 CO 0.01 0.13 -0.17 0.00 0.37 0.00 0.00 175.52 175.86 3rub h ALA 276 N 1.13 0.58 -0.71 6.16 0.00 -1.77 -2.53 119.26 122.11 3rub h ALA 276 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3rub h ALA 276 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3rub h ALA 276 CO -0.03 0.52 0.42 -0.97 0.00 0.00 0.00 179.25 179.19 3rub h ASN 277 N 0.67 0.86 -0.32 0.00 -1.24 -1.13 0.22 115.58 114.63 3rub h ASN 277 Ca 0.10 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 3rub h ASN 277 Cb 0.73 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 3rub h ASN 277 CO 0.06 0.67 0.12 0.74 -1.29 0.00 0.00 177.43 177.73 3rub h THR 278 N 0.97 1.19 -0.17 -3.57 2.02 -1.24 0.26 112.91 112.36 3rub h THR 278 Ca 0.25 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.86 3rub h THR 278 Cb -0.02 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3rub h THR 278 CO -0.05 0.20 0.09 0.28 0.37 0.00 0.00 175.52 176.41 3rub h SER 279 N 0.37 0.14 -0.61 4.18 0.02 -0.95 -0.72 113.55 115.98 3rub h SER 279 Ca 0.11 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 3rub h SER 279 Cb 0.20 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3rub h SER 279 CO -0.01 0.11 0.07 0.25 -1.14 0.00 0.00 176.83 176.11 3rub h LEU 280 N 0.19 0.98 -0.99 5.07 5.85 -0.15 -2.37 115.31 123.89 3rub h LEU 280 Ca 0.07 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3rub h LEU 280 Cb 0.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3rub h LEU 280 CO -0.04 1.01 0.53 0.00 -0.34 0.00 0.00 178.44 179.60 3rub h ALA 281 N 1.01 1.24 -0.57 1.25 0.00 -0.10 -0.48 119.26 121.61 3rub h ALA 281 Ca 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3rub h ALA 281 Cb 0.46 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3rub h ALA 281 CO 0.02 0.64 0.35 0.45 0.00 0.00 0.00 179.25 180.71 3rub h HIS 282 N 1.24 0.75 -0.79 0.00 3.86 -0.89 -2.10 115.15 117.22 3rub h HIS 282 Ca 0.32 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.60 3rub h HIS 282 Cb -0.04 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.13 3rub h HIS 282 CO 0.01 0.51 0.47 -0.92 0.86 0.00 0.00 177.93 178.86 3rub h TYR 283 N 0.77 0.86 -0.56 2.45 5.03 -0.86 -0.66 116.97 124.01 3rub h TYR 283 Ca 0.21 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.44 3rub h TYR 283 Cb -0.03 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 37.96 3rub h TYR 283 CO -0.02 0.42 -0.04 0.00 -1.32 0.00 0.00 178.16 177.19 3rub h ARG 285 N 0.89 -0.06 0.00 0.00 9.65 -0.75 0.14 114.38 124.25 3rub h ARG 285 Ca 0.15 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.03 3rub h ARG 285 Cb 0.60 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3rub h ARG 285 CO 0.04 0.09 -0.04 -0.44 2.80 0.00 0.00 179.97 182.41 3rub h ASP 286 N -0.20 0.00 -0.00 -3.80 3.32 -0.77 -3.20 116.42 111.77 3rub h ASP 286 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3rub h ASP 286 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3rub h ASP 286 CO 0.01 0.04 0.00 0.59 -1.72 0.00 0.00 179.24 178.17 3rub n ASN 287 N -3.34 2.09 -0.62 6.45 3.02 -0.35 -5.02 115.26 117.49 3rub n ASN 287 Ca -0.02 -2.24 -0.08 0.00 -0.03 0.00 0.00 54.58 52.21 3rub n ASN 287 Cb 0.19 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3rub n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3rub n GLY 288 N -0.69 1.00 3.82 7.41 0.00 0.40 -5.00 105.19 112.13 3rub n GLY 288 Ca 0.04 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 3rub n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3rub s LEU 289 N -1.84 4.42 0.44 0.99 1.43 -0.63 -4.97 118.68 118.51 3rub s LEU 289 Ca 0.00 0.80 -0.21 0.00 -1.03 0.00 0.00 54.13 53.69 3rub s LEU 289 Cb 0.00 -2.46 -0.10 0.00 0.03 0.00 0.00 46.19 43.65 3rub s LEU 289 CO 0.00 0.29 0.97 -0.76 0.23 0.00 0.00 176.35 177.09 3rub s LEU 290 N -0.77 3.93 -0.21 1.79 1.43 0.55 -4.54 118.68 120.86 3rub s LEU 290 Ca 0.21 1.76 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 3rub s LEU 290 Cb -0.15 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.58 3rub s LEU 290 CO 0.10 -0.46 -0.15 -0.22 0.23 0.00 0.00 176.35 175.85 3rub s LEU 291 N -3.22 2.68 -0.28 1.79 2.96 -1.26 -1.86 118.68 119.49 3rub s LEU 291 Ca 0.63 -0.98 -0.18 0.00 -0.22 0.00 0.00 54.13 53.38 3rub s LEU 291 Cb -0.11 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3rub s LEU 291 CO 0.15 -0.09 0.54 -2.28 -1.32 0.00 0.00 176.35 173.35 3rub s HIS 292 N 1.23 3.25 -0.18 5.38 5.65 -0.82 0.10 115.29 129.89 3rub s HIS 292 Ca -0.01 0.60 -0.08 0.00 0.25 0.00 0.00 55.06 55.82 3rub s HIS 292 Cb -0.16 -2.79 -0.04 0.00 -1.18 0.00 0.00 32.58 28.40 3rub s HIS 292 CO -0.09 -0.34 0.08 0.42 -0.65 0.00 0.00 174.74 174.16 3rub s ILE 293 N 2.38 4.94 -0.06 0.89 -1.09 0.69 -1.62 121.20 127.33 3rub s ILE 293 Ca 0.22 0.02 -0.02 0.00 -2.23 0.00 0.00 60.65 58.63 3rub s ILE 293 Cb -0.15 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 3rub s ILE 293 CO 0.10 0.46 0.07 -2.28 -1.23 0.00 0.00 174.94 172.05 3rub s HIS 294 N 0.33 3.31 -0.37 3.97 5.65 0.11 -2.89 115.29 125.40 3rub s HIS 294 Ca 0.04 0.27 0.08 0.00 0.25 0.00 0.00 55.06 55.71 3rub s HIS 294 Cb -0.12 -1.80 0.63 0.00 -1.18 0.00 0.00 32.58 30.11 3rub s HIS 294 CO -0.00 0.56 1.63 2.89 -0.65 0.00 0.00 174.74 179.17 3rub n ARG 295 N 1.70 3.35 -1.45 2.88 1.85 -1.26 -3.20 116.66 120.53 3rub n ARG 295 Ca -0.17 -2.57 -0.52 0.00 -1.00 0.00 0.00 57.85 53.60 3rub n ARG 295 Cb 0.54 -2.07 -0.05 0.00 -1.05 0.00 0.00 32.46 29.82 3rub n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3rub n ALA 296 N -0.04 -2.94 -0.12 2.89 0.00 -1.26 -0.90 120.51 118.14 3rub n ALA 296 Ca 0.34 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.28 3rub n ALA 296 Cb 1.22 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3rub n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3rub n MET 297 N 1.23 0.00 -0.25 0.00 0.00 -1.26 -4.27 117.12 112.57 3rub n MET 297 Ca 0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.70 57.92 3rub n MET 297 Cb 0.19 -1.34 0.27 0.00 0.00 0.00 0.00 33.22 32.34 3rub n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 3rub h HIS 298 N 0.00 0.95 0.00 1.12 -0.00 -1.44 -1.60 115.15 114.18 3rub h HIS 298 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3rub h HIS 298 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.10 3rub h HIS 298 CO 0.00 0.52 0.00 0.00 -0.00 0.00 0.00 177.93 178.45 3rub h ALA 299 N 1.54 1.00 -0.04 6.11 0.00 -1.92 0.23 119.26 126.18 3rub h ALA 299 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3rub h ALA 299 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3rub h ALA 299 CO -0.12 0.00 -0.29 0.28 0.00 0.00 0.00 179.25 179.12 3rub h VAL 300 N 0.00 1.23 0.00 0.00 2.07 -1.70 -3.26 116.25 114.58 3rub h VAL 300 Ca 0.00 -1.08 -0.22 0.00 0.82 0.00 0.00 66.70 66.22 3rub h VAL 300 Cb 0.11 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3rub h VAL 300 CO 0.00 0.32 -1.81 -0.38 0.02 0.00 0.00 177.57 175.71 3rub n ILE 301 N -4.17 0.81 -0.19 4.57 5.41 0.67 -4.78 119.36 121.69 3rub n ILE 301 Ca -0.02 -0.49 0.07 0.00 1.00 0.00 0.00 62.75 63.31 3rub n ILE 301 Cb 0.36 -0.70 0.18 0.00 -0.71 0.00 0.00 39.64 38.77 3rub n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3rub n ASP 302 N -2.46 3.08 -0.08 4.38 5.68 -0.31 -2.10 116.55 124.75 3rub n ASP 302 Ca -0.20 -1.98 -0.15 0.00 -0.50 0.00 0.00 54.79 51.96 3rub n ASP 302 Cb 0.88 -0.27 -0.11 0.00 -1.14 0.00 0.00 41.12 40.49 3rub n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3rub h ARG 303 N 2.44 0.00 -6.34 0.11 2.43 -1.79 -3.41 114.38 107.82 3rub h ARG 303 Ca 0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 3rub h ARG 303 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3rub h ARG 303 CO 0.00 0.84 1.04 -0.65 -1.51 0.00 0.00 179.97 179.69 3rub s GLN 304 N -2.21 4.20 0.27 0.20 -1.52 -1.26 -4.93 119.66 114.40 3rub s GLN 304 Ca -0.21 2.23 0.22 0.00 -1.95 0.00 0.00 55.36 55.65 3rub s GLN 304 Cb 0.01 -3.83 1.01 0.00 -0.22 0.00 0.00 33.01 29.98 3rub s GLN 304 CO 0.56 -0.79 1.66 1.63 -0.25 0.00 0.00 175.29 178.11 3rub n LYS 305 N 6.47 0.16 -0.00 2.91 5.02 -1.26 -2.69 118.16 128.77 3rub n LYS 305 Ca 0.16 0.50 0.06 0.00 -2.02 0.00 0.00 58.31 57.02 3rub n LYS 305 Cb 0.42 -1.88 -0.09 0.00 -0.02 0.00 0.00 35.03 33.46 3rub n LYS 305 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3rub n ASN 306 N -2.20 1.92 -3.89 4.39 6.94 -1.26 -4.91 115.26 116.25 3rub n ASN 306 Ca 0.01 -0.14 -0.15 0.00 -0.02 0.00 0.00 54.58 54.28 3rub n ASN 306 Cb 0.15 1.45 -0.15 0.00 -2.36 0.00 0.00 39.78 38.87 3rub n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3rub s HIS 307 N -2.71 0.25 -1.32 -2.53 5.04 -1.09 -2.14 115.29 110.79 3rub s HIS 307 Ca -0.03 -0.03 0.00 0.00 -1.54 0.00 0.00 55.06 53.46 3rub s HIS 307 Cb 0.08 -0.22 0.00 0.00 0.04 0.00 0.00 32.58 32.48 3rub s HIS 307 CO 0.50 -0.04 0.00 0.41 -2.34 0.00 0.00 174.74 173.27 3rub n GLY 308 N 3.32 0.41 2.80 1.59 0.00 0.06 -4.36 105.19 109.01 3rub n GLY 308 Ca -0.16 -1.96 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 3rub n GLY 308 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3rub s ILE 309 N -1.03 0.52 0.41 -0.61 1.01 -0.89 -0.24 121.20 120.36 3rub s ILE 309 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.41 3rub s ILE 309 Cb 0.00 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.73 3rub s ILE 309 CO 0.00 0.28 1.47 -2.28 0.00 0.00 0.00 174.94 174.41 3rub s HIS 310 N 1.87 2.52 0.52 3.97 5.65 -0.29 -3.57 115.29 125.97 3rub s HIS 310 Ca 0.04 1.20 0.30 0.00 0.25 0.00 0.00 55.06 56.85 3rub s HIS 310 Cb -0.12 -3.99 1.43 0.00 -1.18 0.00 0.00 32.58 28.71 3rub s HIS 310 CO -0.06 -3.00 1.88 0.35 -0.65 0.00 0.00 174.74 173.26 3rub h PHE 311 N 2.73 0.08 -0.23 3.88 3.57 -1.91 -1.15 116.94 123.90 3rub h PHE 311 Ca -0.51 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 60.96 3rub h PHE 311 Cb 1.25 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3rub h PHE 311 CO 0.52 0.02 0.00 0.07 -2.23 0.00 0.00 178.31 176.69 3rub h ARG 312 N 0.05 0.33 -0.11 1.11 0.11 -1.90 0.14 114.38 114.11 3rub h ARG 312 Ca 0.44 -0.05 -0.13 0.00 0.10 0.00 0.00 59.98 60.33 3rub h ARG 312 Cb 1.65 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 32.68 3rub h ARG 312 CO -0.03 0.36 -0.45 0.28 0.10 0.00 0.00 179.97 180.23 3rub h VAL 313 N 0.33 1.37 -0.20 0.08 2.07 -1.44 -1.93 116.25 116.53 3rub h VAL 313 Ca 0.08 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 3rub h VAL 313 Cb 0.22 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3rub h VAL 313 CO 0.00 0.53 0.12 -0.07 0.02 0.00 0.00 177.57 178.17 3rub h LEU 314 N 0.09 0.23 0.09 2.57 4.07 -1.29 -1.69 115.31 119.38 3rub h LEU 314 Ca -0.02 -0.01 -0.29 0.00 0.08 0.00 0.00 57.88 57.64 3rub h LEU 314 Cb 1.08 -0.06 0.03 0.00 1.08 0.00 0.00 40.66 42.79 3rub h LEU 314 CO 0.09 0.18 -1.21 0.00 -1.08 0.00 0.00 178.44 176.42 3rub h ALA 315 N 1.86 0.04 -0.60 1.53 0.00 -0.69 -2.59 119.26 118.81 3rub h ALA 315 Ca 0.07 -0.77 -0.09 0.00 0.00 0.00 0.00 54.91 54.12 3rub h ALA 315 Cb -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3rub h ALA 315 CO -0.01 0.72 0.02 0.87 0.00 0.00 0.00 179.25 180.84 3rub h LYS 316 N 0.27 1.03 -0.89 0.00 1.57 -0.64 -1.73 116.57 116.18 3rub h LYS 316 Ca -0.17 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 3rub h LYS 316 Cb 1.88 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 34.04 3rub h LYS 316 CO 0.23 0.99 0.49 0.00 -0.57 0.00 0.00 179.45 180.60 3rub h ALA 317 N 1.06 1.19 -0.18 3.86 0.00 -1.34 -1.61 119.26 122.24 3rub h ALA 317 Ca 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3rub h ALA 317 Cb 0.52 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3rub h ALA 317 CO 0.03 0.66 0.03 1.25 0.00 0.00 0.00 179.25 181.21 3rub h LEU 318 N 1.25 0.28 -1.45 0.00 7.12 -1.12 0.11 115.31 121.49 3rub h LEU 318 Ca 0.31 -0.25 0.02 0.00 0.13 0.00 0.00 57.88 58.09 3rub h LEU 318 Cb 0.02 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.04 3rub h LEU 318 CO -0.05 0.46 0.38 -0.09 -0.13 0.00 0.00 178.44 179.01 3rub h ARG 319 N 0.09 0.72 0.04 1.25 2.43 -0.90 0.35 114.38 118.35 3rub h ARG 319 Ca 0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3rub h ARG 319 Cb 0.30 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3rub h ARG 319 CO 0.00 0.48 -0.02 0.52 -1.51 0.00 0.00 179.97 179.44 3rub h MET 320 N 0.75 -0.05 -0.30 0.20 2.86 -1.04 -3.28 114.93 114.06 3rub h MET 320 Ca 0.22 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3rub h MET 320 Cb -0.03 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3rub h MET 320 CO -0.05 0.56 0.06 1.03 1.06 0.00 0.00 176.91 179.57 3rub h SER 321 N -0.72 0.47 0.00 1.22 0.87 -0.61 -3.05 113.55 111.74 3rub h SER 321 Ca -0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3rub h SER 321 Cb 0.63 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3rub h SER 321 CO 0.01 0.60 0.00 0.61 -0.53 0.00 0.00 176.83 177.51 3rub n GLY 322 N -0.51 3.49 3.60 5.77 0.00 0.12 -4.45 105.19 113.21 3rub n GLY 322 Ca -0.02 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 3rub n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3rub s GLY 323 N 0.00 -0.12 -0.08 -0.02 0.00 -1.24 -4.74 107.32 101.11 3rub s GLY 323 Ca 0.00 2.31 0.17 0.00 0.00 0.00 0.00 44.72 47.19 3rub s GLY 323 CO 0.00 1.00 0.45 1.22 0.00 0.00 0.00 173.10 175.78 3rub n ASP 324 N 0.54 0.44 -4.20 1.64 8.00 0.28 -4.43 116.55 118.83 3rub n ASP 324 Ca -0.05 0.20 -0.17 0.00 0.71 0.00 0.00 54.79 55.48 3rub n ASP 324 Cb 0.58 0.62 -0.11 0.00 -0.02 0.00 0.00 41.12 42.19 3rub n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3rub s HIS 325 N -2.73 1.23 -0.14 1.24 3.76 -0.50 -1.78 115.29 116.36 3rub s HIS 325 Ca -0.07 -0.55 -0.07 0.00 -0.15 0.00 0.00 55.06 54.22 3rub s HIS 325 Cb 0.08 -0.67 0.05 0.00 1.11 0.00 0.00 32.58 33.16 3rub s HIS 325 CO 0.83 0.07 0.34 -1.50 -0.85 0.00 0.00 174.74 173.63 3rub s ILE 326 N -1.95 -0.06 0.01 0.60 2.07 -0.84 -0.22 121.20 120.81 3rub s ILE 326 Ca 0.04 0.12 -0.30 0.00 -1.41 0.00 0.00 60.65 59.10 3rub s ILE 326 Cb -0.06 -0.51 -0.07 0.00 0.13 0.00 0.00 42.46 41.95 3rub s ILE 326 CO 0.02 0.05 1.67 -1.00 -1.91 0.00 0.00 174.94 173.77 3rub s HIS 327 N 1.41 2.15 -0.22 3.50 3.76 -1.14 -0.05 115.29 124.69 3rub s HIS 327 Ca -0.09 0.22 0.10 0.00 -0.15 0.00 0.00 55.06 55.14 3rub s HIS 327 Cb -0.09 -3.95 0.21 0.00 1.11 0.00 0.00 32.58 29.85 3rub s HIS 327 CO -0.11 -3.94 1.14 0.43 -0.85 0.00 0.00 174.74 171.42 3rub n SER 328 N 6.42 2.52 0.00 1.40 7.64 0.23 -4.69 113.62 127.14 3rub n SER 328 Ca 0.17 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.58 3rub n SER 328 Cb 0.42 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 3rub n SER 328 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3rub n GLY 329 N -0.61 -1.96 3.23 0.23 0.00 -1.25 -4.93 105.19 99.90 3rub n GLY 329 Ca 0.10 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 3rub n GLY 329 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3rub s THR 330 N 0.00 0.97 -0.42 2.61 -1.32 -1.23 -2.34 115.64 113.91 3rub s THR 330 Ca 0.00 -2.01 0.16 0.00 -1.21 0.00 0.00 61.69 58.63 3rub s THR 330 Cb 0.00 -1.83 -0.21 0.00 -1.51 0.00 0.00 72.50 68.94 3rub s THR 330 CO 0.00 -0.75 0.54 1.33 -2.21 0.00 0.00 174.62 173.52 3rub n VAL 331 N -0.16 0.00 -1.38 5.08 0.24 -1.26 -4.92 118.33 115.93 3rub n VAL 331 Ca -0.10 -0.24 -0.54 0.00 -2.04 0.00 0.00 64.34 61.42 3rub n VAL 331 Cb 0.61 0.60 -0.09 0.00 -1.47 0.00 0.00 33.84 33.49 3rub n VAL 331 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3rub n VAL 332 N -1.70 0.12 -2.33 3.34 0.31 -1.26 -0.13 118.33 116.68 3rub n VAL 332 Ca 0.00 -0.17 -0.07 0.00 -0.01 0.00 0.00 64.34 64.09 3rub n VAL 332 Cb 0.33 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 3rub n VAL 332 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3rub n GLY 333 N 6.87 0.20 3.63 2.92 0.00 -1.26 -5.05 105.19 112.51 3rub n GLY 333 Ca 0.46 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3rub n GLY 333 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3rub s LYS 334 N -4.63 3.09 0.81 1.61 -0.14 0.81 -5.09 119.74 116.19 3rub s LYS 334 Ca 0.05 -0.45 -0.13 0.00 -1.36 0.00 0.00 55.97 54.09 3rub s LYS 334 Cb -0.02 -2.79 0.08 0.00 -1.68 0.00 0.00 37.83 33.42 3rub s LYS 334 CO 0.06 0.61 1.18 -1.17 -0.76 0.00 0.00 175.35 175.27 3rub s LEU 335 N -0.63 3.11 0.24 3.17 1.98 -1.26 -4.62 118.68 120.68 3rub s LEU 335 Ca 0.10 2.26 -0.04 0.00 -2.89 0.00 0.00 54.13 53.56 3rub s LEU 335 Cb -0.12 -4.58 0.40 0.00 0.66 0.00 0.00 46.19 42.55 3rub s LEU 335 CO 0.02 -2.58 1.80 1.05 -1.89 0.00 0.00 176.35 174.75 3rub h GLU 336 N -0.97 0.74 -0.40 1.98 4.11 -1.98 -0.09 114.58 117.97 3rub h GLU 336 Ca -0.46 -0.04 0.08 0.00 0.07 0.00 0.00 59.36 59.01 3rub h GLU 336 Cb 1.28 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3rub h GLU 336 CO 0.47 0.49 0.27 0.78 0.07 0.00 0.00 179.01 181.09 3rub h GLY 337 N 0.76 0.25 0.07 1.06 0.00 -1.97 -0.22 103.07 103.02 3rub h GLY 337 Ca 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 3rub h GLY 337 CO -0.25 0.05 -0.01 0.83 0.00 0.00 0.00 176.54 177.16 3rub h GLU 338 N 0.19 -0.03 -1.08 4.80 5.08 -1.74 -3.02 114.58 118.78 3rub h GLU 338 Ca 0.18 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.84 3rub h GLU 338 Cb 0.48 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 3rub h GLU 338 CO -0.03 0.54 0.72 -0.09 -1.00 0.00 0.00 179.01 179.15 3rub h ARG 339 N -0.97 0.26 -0.21 2.33 2.43 -0.41 0.33 114.38 118.14 3rub h ARG 339 Ca -0.00 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 3rub h ARG 339 Cb 0.59 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3rub h ARG 339 CO 0.01 0.17 -0.46 -0.44 -1.51 0.00 0.00 179.97 177.74 3rub h ASP 340 N 0.27 0.77 -0.12 -3.80 5.19 -1.13 0.09 116.42 117.69 3rub h ASP 340 Ca 0.59 -0.55 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 3rub h ASP 340 Cb 1.74 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 41.01 3rub h ASP 340 CO -0.22 1.18 -0.20 0.40 -3.12 0.00 0.00 179.24 177.29 3rub h ILE 341 N 0.39 1.25 0.20 0.35 2.04 -0.82 -1.17 117.51 119.75 3rub h ILE 341 Ca 0.00 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 3rub h ILE 341 Cb 1.06 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3rub h ILE 341 CO 0.10 0.38 -0.09 0.74 0.00 0.00 0.00 178.15 179.28 3rub h THR 342 N 0.47 0.90 -0.30 -0.27 2.02 -1.22 -2.03 112.91 112.49 3rub h THR 342 Ca 0.08 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3rub h THR 342 Cb 0.61 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3rub h THR 342 CO 0.04 0.13 0.14 -0.07 0.37 0.00 0.00 175.52 176.14 3rub h LEU 343 N -0.57 0.36 -0.19 2.58 3.38 -0.89 0.11 115.31 120.09 3rub h LEU 343 Ca -0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3rub h LEU 343 Cb 0.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3rub h LEU 343 CO 0.04 0.32 0.11 1.23 0.09 0.00 0.00 178.44 180.23 3rub h GLY 344 N 0.53 0.29 2.00 0.83 0.00 -0.84 -1.44 103.07 104.43 3rub h GLY 344 Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3rub h GLY 344 CO -0.01 0.12 -0.34 0.27 0.00 0.00 0.00 176.54 176.58 3rub h PHE 345 N 0.21 0.00 -0.46 5.60 -5.15 -0.63 -1.81 116.94 114.70 3rub h PHE 345 Ca 0.07 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.81 3rub h PHE 345 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.21 3rub h PHE 345 CO -0.04 0.34 0.16 0.28 -2.00 0.00 0.00 178.31 177.05 3rub h VAL 346 N 0.00 1.22 -0.63 0.88 2.07 -0.53 -1.23 116.25 118.03 3rub h VAL 346 Ca -0.00 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3rub h VAL 346 Cb 0.97 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3rub h VAL 346 CO 0.04 0.26 0.28 0.44 0.02 0.00 0.00 177.57 178.61 3rub h ASP 347 N 0.61 0.84 0.13 0.57 3.32 -0.96 0.59 116.42 121.52 3rub h ASP 347 Ca 0.15 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3rub h ASP 347 Cb 0.24 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3rub h ASP 347 CO -0.01 0.76 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.15 3rub h LEU 348 N 0.87 0.00 0.14 1.55 3.38 -0.68 -0.11 115.31 120.45 3rub h LEU 348 Ca 0.21 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.89 3rub h LEU 348 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3rub h LEU 348 CO -0.02 0.05 -1.49 -0.07 0.09 0.00 0.00 178.44 177.00 3rub h LEU 349 N 0.00 0.46 0.05 1.67 3.38 0.00 -3.41 115.31 117.46 3rub h LEU 349 Ca -0.00 -0.88 -0.34 0.00 0.09 0.00 0.00 57.88 56.74 3rub h LEU 349 Cb 0.13 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3rub h LEU 349 CO 0.01 1.66 -2.00 0.54 0.09 0.00 0.00 178.44 178.74 3rub n ARG 350 N -3.83 0.69 -2.38 1.13 1.74 0.06 -0.81 116.66 113.26 3rub n ARG 350 Ca -0.24 0.23 -0.24 0.00 -0.77 0.00 0.00 57.85 56.82 3rub n ARG 350 Cb 0.95 -1.69 0.05 0.00 -1.02 0.00 0.00 32.46 30.75 3rub n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3rub s ASP 351 N -6.43 5.07 0.02 0.55 1.01 -0.07 -4.38 116.67 112.43 3rub s ASP 351 Ca -0.16 0.33 0.07 0.00 0.71 0.00 0.00 52.55 53.50 3rub s ASP 351 Cb 0.07 -1.11 -0.23 0.00 1.01 0.00 0.00 42.92 42.66 3rub s ASP 351 CO 0.78 -1.37 0.92 -0.78 0.21 0.00 0.00 175.17 174.92 3rub h ASP 352 N -0.32 0.09 -3.39 0.27 3.58 -1.91 -3.45 116.42 111.30 3rub h ASP 352 Ca -0.44 -0.14 -0.24 0.00 0.42 0.00 0.00 57.03 56.64 3rub h ASP 352 Cb 1.30 -0.03 -0.32 0.00 1.72 0.00 0.00 39.33 42.01 3rub h ASP 352 CO 0.58 1.12 -0.58 0.12 -2.88 0.00 0.00 179.24 177.60 3rub s PHE 353 N -2.64 -0.20 -0.14 0.28 2.19 -1.26 0.10 117.98 116.32 3rub s PHE 353 Ca -0.04 0.55 0.00 0.00 0.33 0.00 0.00 56.93 57.77 3rub s PHE 353 Cb 0.08 -0.07 0.02 0.00 -1.31 0.00 0.00 43.02 41.75 3rub s PHE 353 CO 0.83 -0.19 -0.12 0.08 1.83 0.00 0.00 175.22 177.65 3rub s VAL 354 N 1.26 1.38 0.28 3.12 1.01 0.21 -4.97 120.40 122.69 3rub s VAL 354 Ca -0.09 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 3rub s VAL 354 Cb -0.11 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 3rub s VAL 354 CO -0.06 0.43 0.91 -0.70 0.00 0.00 0.00 175.10 175.68 3rub s GLU 355 N 1.56 4.63 0.30 2.72 2.56 -1.26 0.92 118.70 130.13 3rub s GLU 355 Ca 0.05 1.32 -0.27 0.00 0.00 0.00 0.00 54.97 56.07 3rub s GLU 355 Cb -0.13 -2.96 -0.14 0.00 2.00 0.00 0.00 34.13 32.90 3rub s GLU 355 CO -0.10 0.37 0.79 0.94 -0.56 0.00 0.00 175.26 176.70 3rub n GLN 356 N 0.88 0.85 -3.00 4.30 7.27 -1.26 -4.81 117.38 121.62 3rub n GLN 356 Ca 0.00 0.30 0.02 0.00 0.07 0.00 0.00 57.00 57.39 3rub n GLN 356 Cb 0.49 -1.57 -0.00 0.00 2.41 0.00 0.00 30.24 31.58 3rub n GLN 356 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3rub s ASP 357 N -0.76 -0.84 0.53 1.69 -1.08 0.25 -4.95 116.67 111.51 3rub s ASP 357 Ca 0.61 -0.30 0.28 0.00 -0.52 0.00 0.00 52.55 52.62 3rub s ASP 357 Cb -0.73 1.17 1.50 0.00 -1.46 0.00 0.00 42.92 43.40 3rub s ASP 357 CO 0.59 -0.11 2.10 0.03 0.52 0.00 0.00 175.17 178.29 3rub h ARG 358 N 6.40 0.00 0.00 4.34 3.08 -1.92 -0.75 114.38 125.54 3rub h ARG 358 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3rub h ARG 358 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 3rub h ARG 358 CO -0.00 0.10 -0.02 0.66 -1.07 0.00 0.00 179.97 179.64 3rub h SER 359 N 0.00 0.00 -0.16 7.04 4.64 -1.96 -1.42 113.55 121.69 3rub h SER 359 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3rub h SER 359 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3rub h SER 359 CO 0.01 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 3rub n ARG 360 N -4.45 1.64 -0.94 4.77 1.74 -0.39 -4.71 116.66 114.32 3rub n ARG 360 Ca -0.03 -1.55 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 3rub n ARG 360 Cb 0.10 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3rub n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3rub n GLY 361 N 0.50 0.46 3.42 -0.13 0.00 -0.54 -4.29 105.19 104.61 3rub n GLY 361 Ca 0.08 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 3rub n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3rub s ILE 362 N -2.00 4.70 0.07 -0.61 1.01 -0.59 -4.90 121.20 118.88 3rub s ILE 362 Ca 0.00 -1.18 0.18 0.00 0.00 0.00 0.00 60.65 59.66 3rub s ILE 362 Cb 0.00 -4.66 0.13 0.00 0.01 0.00 0.00 42.46 37.93 3rub s ILE 362 CO 0.00 -1.37 1.66 1.88 0.00 0.00 0.00 174.94 177.11 3rub h TYR 363 N 9.04 0.00 -3.90 3.97 -1.99 -1.93 0.71 116.97 122.87 3rub h TYR 363 Ca -0.07 0.00 -0.38 0.00 2.00 0.00 0.00 58.73 60.28 3rub h TYR 363 Cb 1.05 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.57 3rub h TYR 363 CO 1.03 0.39 -0.77 -0.06 -0.00 0.00 0.00 178.16 178.75 3rub s PHE 364 N -3.43 1.13 0.12 4.88 0.08 -1.26 -4.87 117.98 114.63 3rub s PHE 364 Ca 0.01 -0.49 -0.30 0.00 0.12 0.00 0.00 56.93 56.27 3rub s PHE 364 Cb 0.10 -0.63 -0.07 0.00 -0.57 0.00 0.00 43.02 41.85 3rub s PHE 364 CO 0.70 0.04 1.15 0.99 -0.10 0.00 0.00 175.22 177.99 3rub s THR 365 N -1.48 3.94 -0.19 0.64 2.01 -1.26 -4.10 115.64 115.20 3rub s THR 365 Ca -0.02 1.53 -0.00 0.00 0.31 0.00 0.00 61.69 63.51 3rub s THR 365 Cb -0.09 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.45 3rub s THR 365 CO 0.02 0.20 -0.16 -1.58 -0.69 0.00 0.00 174.62 172.41 3rub s GLN 366 N 0.29 3.11 -0.22 4.92 2.00 0.26 -4.89 119.66 125.13 3rub s GLN 366 Ca 0.54 -0.77 -0.07 0.00 -2.00 0.00 0.00 55.36 53.06 3rub s GLN 366 Cb -0.29 -2.68 -0.03 0.00 0.80 0.00 0.00 33.01 30.81 3rub s GLN 366 CO 0.33 -0.18 0.05 0.34 -0.50 0.00 0.00 175.29 175.32 3rub s ASP 367 N 1.28 5.17 0.00 6.67 -1.08 -1.26 0.64 116.67 128.08 3rub s ASP 367 Ca 0.04 -0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.15 3rub s ASP 367 Cb -0.14 -1.90 0.54 0.00 -1.46 0.00 0.00 42.92 39.96 3rub s ASP 367 CO -0.09 0.05 1.45 0.79 0.52 0.00 0.00 175.17 177.89 3rub n TRP 368 N 4.34 0.44 -3.82 -5.34 7.02 0.28 -4.61 117.44 115.76 3rub n TRP 368 Ca -0.16 -0.22 -0.25 0.00 -1.02 0.00 0.00 57.50 55.84 3rub n TRP 368 Cb 0.52 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.38 3rub n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 3rub n VAL 369 N 1.04 -1.15 -1.12 -0.99 0.24 -1.26 -1.19 118.33 113.90 3rub n VAL 369 Ca 0.18 -0.35 -0.04 0.00 -2.04 0.00 0.00 64.34 62.09 3rub n VAL 369 Cb 0.49 -1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 31.82 3rub n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3rub n SER 370 N -1.38 -4.83 -4.75 -1.34 7.64 -1.26 -5.00 113.62 102.71 3rub n SER 370 Ca -0.14 0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.43 3rub n SER 370 Cb 0.40 -2.69 -0.02 0.00 -1.01 0.00 0.00 64.21 60.89 3rub n SER 370 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3rub s LEU 371 N -0.94 4.38 0.76 -3.43 2.96 -0.33 -4.92 118.68 117.14 3rub s LEU 371 Ca 0.00 2.73 -0.15 0.00 -0.22 0.00 0.00 54.13 56.49 3rub s LEU 371 Cb 0.00 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 43.08 3rub s LEU 371 CO 0.00 -0.74 0.94 -2.65 -1.32 0.00 0.00 176.35 172.58 3rub n PRO 372 N 2.15 0.35 -3.04 0.98 -0.02 -1.26 -4.91 135.00 129.25 3rub n PRO 372 Ca 0.06 0.18 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 3rub n PRO 372 Cb 0.40 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3rub n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3rub s GLY 373 N -1.76 1.96 -0.10 -1.23 0.00 -1.26 -4.60 107.32 100.32 3rub s GLY 373 Ca 0.71 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 45.11 3rub s GLY 373 CO 0.52 -0.13 0.02 0.14 0.00 0.00 0.00 173.10 173.65 3rub s VAL 374 N -2.24 4.49 -0.12 1.40 1.01 0.01 -1.53 120.40 123.43 3rub s VAL 374 Ca 0.49 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 3rub s VAL 374 Cb -0.10 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3rub s VAL 374 CO 0.30 0.59 1.00 -0.22 0.00 0.00 0.00 175.10 176.77 3rub s LEU 375 N -0.77 4.23 0.23 3.92 2.96 -0.73 -4.08 118.68 124.44 3rub s LEU 375 Ca 0.12 1.50 -0.30 0.00 -0.22 0.00 0.00 54.13 55.23 3rub s LEU 375 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 3rub s LEU 375 CO 0.02 -0.47 1.17 -2.16 -1.32 0.00 0.00 176.35 173.60 3rub s PRO 376 N 2.13 4.53 -0.31 0.98 0.04 -1.26 -1.99 135.00 139.13 3rub s PRO 376 Ca 0.47 1.88 -0.06 0.00 0.04 0.00 0.00 61.00 63.33 3rub s PRO 376 Cb -0.18 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.17 3rub s PRO 376 CO 0.17 0.01 0.08 0.08 0.04 0.00 0.00 177.00 177.37 3rub s VAL 377 N -0.55 3.84 -0.23 -0.36 1.01 0.92 -0.72 120.40 124.31 3rub s VAL 377 Ca 0.49 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 3rub s VAL 377 Cb -0.33 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3rub s VAL 377 CO 0.40 0.01 0.32 0.00 0.00 0.00 0.00 175.10 175.82 3rub s ALA 378 N 1.46 3.57 0.10 5.51 0.00 -0.48 -0.60 121.76 131.33 3rub s ALA 378 Ca 0.01 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 3rub s ALA 378 Cb -0.18 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.40 3rub s ALA 378 CO 0.02 -0.37 0.34 -1.54 0.00 0.00 0.00 175.76 174.21 3rub s SER 379 N 1.23 -0.14 0.00 0.00 1.04 -0.99 0.68 113.70 115.53 3rub s SER 379 Ca 0.14 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3rub s SER 379 Cb -0.15 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3rub s SER 379 CO 0.08 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.12 3rub n GLY 380 N -0.06 1.37 2.36 7.32 0.00 -1.26 -3.51 105.19 111.42 3rub n GLY 380 Ca -0.16 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 3rub n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rub n GLY 381 N 0.27 1.28 3.74 -0.02 0.00 -1.26 -4.83 105.19 104.37 3rub n GLY 381 Ca 0.00 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 3rub n GLY 381 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3rub s ILE 382 N -2.42 3.42 0.27 -0.61 1.01 -1.26 -5.04 121.20 116.57 3rub s ILE 382 Ca 0.00 1.20 0.06 0.00 0.00 0.00 0.00 60.65 61.91 3rub s ILE 382 Cb 0.00 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 3rub s ILE 382 CO 0.00 0.19 -0.05 -1.00 0.00 0.00 0.00 174.94 174.08 3rub s HIS 383 N -0.04 1.88 0.35 3.97 3.76 -1.26 -4.55 115.29 119.39 3rub s HIS 383 Ca 0.54 -0.74 0.04 0.00 -0.15 0.00 0.00 55.06 54.75 3rub s HIS 383 Cb -0.34 -1.07 0.67 0.00 1.11 0.00 0.00 32.58 32.95 3rub s HIS 383 CO 0.38 0.22 1.98 -0.39 -0.85 0.00 0.00 174.74 176.07 3rub h VAL 384 N 2.32 1.09 0.00 -0.90 -1.51 -1.94 -0.64 116.25 114.66 3rub h VAL 384 Ca -0.40 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3rub h VAL 384 Cb 1.23 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3rub h VAL 384 CO 0.67 0.15 0.00 -2.67 -1.23 0.00 0.00 177.57 174.49 3rub n TRP 385 N -4.46 0.00 1.12 5.19 2.14 -1.26 0.18 117.44 120.35 3rub n TRP 385 Ca 0.09 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.78 3rub n TRP 385 Cb 0.15 -0.14 0.19 0.00 -0.81 0.00 0.00 31.31 30.70 3rub n TRP 385 CO 0.00 0.00 0.00 0.72 2.07 0.00 0.00 177.69 180.48 3rub n HIS 386 N -1.14 0.00 -0.23 -2.67 8.25 -0.25 -4.53 115.22 114.66 3rub n HIS 386 Ca 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3rub n HIS 386 Cb 0.09 -0.09 0.11 0.00 1.12 0.00 0.00 29.99 31.22 3rub n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 3rub h MET 387 N 1.36 0.57 -0.39 -0.41 4.05 -0.31 -2.53 114.93 117.27 3rub h MET 387 Ca 0.00 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3rub h MET 387 Cb 0.59 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 3rub h MET 387 CO 0.00 0.38 0.22 -1.35 0.23 0.00 0.00 176.91 176.39 3rub h PRO 388 N 0.59 0.43 -0.43 0.39 0.11 -1.79 -0.67 132.00 130.63 3rub h PRO 388 Ca 0.31 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.28 3rub h PRO 388 Cb 0.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3rub h PRO 388 CO -0.23 0.29 -0.19 0.00 -0.21 0.00 0.00 178.00 177.66 3rub h ALA 389 N 1.18 0.60 -0.17 -0.75 0.00 -1.79 -2.23 119.26 116.10 3rub h ALA 389 Ca 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3rub h ALA 389 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3rub h ALA 389 CO -0.08 0.56 0.09 -0.07 0.00 0.00 0.00 179.25 179.74 3rub h LEU 390 N 0.72 0.22 -0.50 0.00 3.38 -1.30 0.48 115.31 118.32 3rub h LEU 390 Ca 0.10 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3rub h LEU 390 Cb 0.75 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3rub h LEU 390 CO 0.06 0.27 0.18 0.74 0.09 0.00 0.00 178.44 179.78 3rub h THR 391 N 0.15 0.84 0.39 0.22 2.02 -1.10 0.88 112.91 116.31 3rub h THR 391 Ca 0.06 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3rub h THR 391 Cb 0.10 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3rub h THR 391 CO -0.01 0.07 -0.19 -0.08 0.37 0.00 0.00 175.52 175.68 3rub h GLU 392 N 0.36 -0.51 -0.09 6.66 4.57 -1.17 0.66 114.58 125.06 3rub h GLU 392 Ca 0.24 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 3rub h GLU 392 Cb 0.25 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3rub h GLU 392 CO -0.24 -0.30 -0.04 0.82 -1.18 0.00 0.00 179.01 178.08 3rub h ILE 393 N -0.60 1.31 0.00 2.32 2.04 0.35 -3.34 117.51 119.59 3rub h ILE 393 Ca -0.05 -1.02 -0.22 0.00 1.00 0.00 0.00 64.86 64.57 3rub h ILE 393 Cb 0.45 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 3rub h ILE 393 CO 0.09 0.29 -1.55 0.49 0.00 0.00 0.00 178.15 177.46 3rub n PHE 394 N -4.76 0.98 -3.76 1.37 3.72 0.27 -5.07 117.46 110.21 3rub n PHE 394 Ca -0.07 0.34 0.01 0.00 -0.05 0.00 0.00 57.45 57.68 3rub n PHE 394 Cb 0.25 -1.13 -0.00 0.00 -0.94 0.00 0.00 39.48 37.66 3rub n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3rub n GLY 395 N 1.47 -1.74 0.29 1.37 0.00 0.23 -4.30 105.19 102.51 3rub n GLY 395 Ca -0.13 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.65 3rub n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3rub h ASP 396 N -0.08 0.35 -1.73 1.61 3.32 -1.89 -3.38 116.42 114.62 3rub h ASP 396 Ca 0.00 -0.02 -0.74 0.00 0.02 0.00 0.00 57.03 56.29 3rub h ASP 396 Cb 0.08 -0.09 -0.16 0.00 0.22 0.00 0.00 39.33 39.38 3rub h ASP 396 CO 0.00 0.29 1.71 0.47 -1.72 0.00 0.00 179.24 179.99 3rub n ASP 397 N -4.46 5.12 -3.66 6.45 8.00 -1.26 -2.81 116.55 123.93 3rub n ASP 397 Ca 0.01 -3.02 -0.08 0.00 0.71 0.00 0.00 54.79 52.41 3rub n ASP 397 Cb 0.09 -1.55 -0.02 0.00 -0.02 0.00 0.00 41.12 39.63 3rub n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3rub s SER 398 N 2.13 -0.35 -0.06 -2.24 1.04 -1.26 -4.10 113.70 108.87 3rub s SER 398 Ca 0.42 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.61 3rub s SER 398 Cb 0.03 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 3rub s SER 398 CO 0.00 -1.05 -0.25 -0.69 0.98 0.00 0.00 173.24 172.23 3rub s VAL 399 N -3.64 2.08 -0.17 5.02 1.01 0.10 -0.74 120.40 124.06 3rub s VAL 399 Ca 0.07 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 3rub s VAL 399 Cb -0.03 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3rub s VAL 399 CO -0.02 0.57 0.01 -0.76 0.00 0.00 0.00 175.10 174.90 3rub s LEU 400 N -0.20 3.54 -0.13 3.92 1.43 0.22 -1.38 118.68 126.08 3rub s LEU 400 Ca -0.02 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3rub s LEU 400 Cb -0.13 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3rub s LEU 400 CO 0.03 0.17 -0.11 -1.58 0.23 0.00 0.00 176.35 175.09 3rub s GLN 401 N 0.38 3.37 -0.04 1.70 2.00 0.21 -1.25 119.66 126.03 3rub s GLN 401 Ca -0.00 -0.65 0.06 0.00 -2.00 0.00 0.00 55.36 52.77 3rub s GLN 401 Cb -0.13 -2.67 -0.01 0.00 0.80 0.00 0.00 33.01 31.00 3rub s GLN 401 CO 0.02 0.26 -0.24 -0.06 -0.50 0.00 0.00 175.29 174.77 3rub s PHE 402 N 0.25 2.26 0.00 1.67 0.08 -0.30 -4.33 117.98 117.62 3rub s PHE 402 Ca -0.08 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.37 3rub s PHE 402 Cb -0.15 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 3rub s PHE 402 CO 0.05 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.42 3rub n GLY 403 N 2.84 -0.32 0.27 4.36 0.00 -1.26 -0.26 105.19 110.81 3rub n GLY 403 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 3rub n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3rub h GLY 404 N 0.00 0.00 1.87 -0.02 0.00 -1.91 -1.73 103.07 101.28 3rub h GLY 404 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3rub h GLY 404 CO 0.00 0.00 -0.50 1.98 0.00 0.00 0.00 176.54 178.02 3rub h MET 405 N 0.00 0.14 0.00 4.80 4.05 -1.85 -1.85 114.93 120.23 3rub h MET 405 Ca -0.00 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3rub h MET 405 Cb 0.31 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 3rub h MET 405 CO 0.01 0.61 -0.34 0.25 0.23 0.00 0.00 176.91 177.68 3rub n THR 406 N -3.95 0.62 -0.01 -0.77 -2.24 -1.06 -4.09 114.28 102.78 3rub n THR 406 Ca -0.02 0.36 0.01 0.00 -2.27 0.00 0.00 64.05 62.13 3rub n THR 406 Cb 0.53 -1.87 0.32 0.00 -2.10 0.00 0.00 70.33 67.22 3rub n THR 406 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3rub h LEU 407 N -0.42 0.50 -0.22 3.22 -0.00 -1.51 -2.56 115.31 114.30 3rub h LEU 407 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 3rub h LEU 407 Cb 0.34 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 3rub h LEU 407 CO 0.00 0.51 -0.13 0.61 -0.00 0.00 0.00 178.44 179.43 3rub n GLY 408 N -1.03 -0.97 3.77 0.83 0.00 -0.70 -4.72 105.19 102.37 3rub n GLY 408 Ca 0.02 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3rub n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3rub s HIS 409 N -2.53 2.88 0.59 1.61 5.04 -0.97 -4.90 115.29 117.02 3rub s HIS 409 Ca 0.27 1.47 0.35 0.00 -1.54 0.00 0.00 55.06 55.62 3rub s HIS 409 Cb 0.20 -3.55 2.01 0.00 0.04 0.00 0.00 32.58 31.28 3rub s HIS 409 CO 0.49 -1.80 2.28 -1.00 -2.34 0.00 0.00 174.74 172.37 3rub h PRO 410 N 2.51 0.00 -0.58 2.88 0.13 -1.90 -2.40 132.00 132.65 3rub h PRO 410 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3rub h PRO 410 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3rub h PRO 410 CO 0.62 0.01 0.00 0.91 -0.23 0.00 0.00 178.00 179.31 3rub n TRP 411 N -3.51 0.77 0.00 1.56 8.01 -1.26 -5.10 117.44 117.91 3rub n TRP 411 Ca -0.03 -0.48 0.00 0.00 -1.31 0.00 0.00 57.50 55.68 3rub n TRP 411 Cb 0.10 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 3rub n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3rub n GLY 412 N 1.25 0.54 0.24 6.99 0.00 -0.90 -4.61 105.19 108.70 3rub n GLY 412 Ca 0.20 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.09 3rub n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3rub h ASN 413 N 0.00 0.63 0.43 1.61 4.21 -1.85 -1.06 115.58 119.55 3rub h ASN 413 Ca 0.00 -0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 3rub h ASN 413 Cb 0.00 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.06 3rub h ASN 413 CO 0.00 0.45 -0.21 0.00 -1.29 0.00 0.00 177.43 176.38 3rub h ALA 414 N 1.26 -0.57 -0.70 -0.83 0.00 -1.85 0.12 119.26 116.67 3rub h ALA 414 Ca 0.24 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3rub h ALA 414 Cb -0.01 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3rub h ALA 414 CO -0.09 -0.68 0.37 -1.35 0.00 0.00 0.00 179.25 177.50 3rub h PRO 415 N -0.86 0.62 -0.86 0.00 0.11 -1.81 0.35 132.00 129.54 3rub h PRO 415 Ca -0.06 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 66.16 3rub h PRO 415 Cb 0.56 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 31.43 3rub h PRO 415 CO 0.10 0.41 0.45 0.78 -0.21 0.00 0.00 178.00 179.53 3rub h GLY 416 N 0.64 1.41 0.81 -0.55 0.00 -0.97 0.44 103.07 104.85 3rub h GLY 416 Ca 0.34 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3rub h GLY 416 CO -0.24 -0.04 -0.08 0.00 0.00 0.00 0.00 176.54 176.18 3rub h ALA 417 N 1.57 0.29 -0.48 3.60 0.00 0.15 -2.31 119.26 122.07 3rub h ALA 417 Ca 0.47 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3rub h ALA 417 Cb 0.67 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3rub h ALA 417 CO -0.37 0.11 0.21 0.28 0.00 0.00 0.00 179.25 179.48 3rub h VAL 418 N 0.14 0.90 -0.17 0.00 2.07 0.12 -0.86 116.25 118.44 3rub h VAL 418 Ca 0.05 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3rub h VAL 418 Cb 0.55 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 3rub h VAL 418 CO 0.03 0.07 -0.39 0.00 0.02 0.00 0.00 177.57 177.30 3rub h ALA 419 N 1.29 -0.51 -0.38 1.67 0.00 -0.01 0.74 119.26 122.07 3rub h ALA 419 Ca 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3rub h ALA 419 Cb 0.18 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3rub h ALA 419 CO -0.19 -0.88 0.10 -0.91 0.00 0.00 0.00 179.25 177.36 3rub h ASN 420 N -0.44 0.50 -0.15 0.00 4.21 -0.96 -0.70 115.58 118.03 3rub h ASN 420 Ca 0.09 -0.07 -0.17 0.00 1.21 0.00 0.00 56.30 57.36 3rub h ASN 420 Cb 0.60 -0.13 0.01 0.00 -1.12 0.00 0.00 38.32 37.68 3rub h ASN 420 CO -0.41 0.50 -0.59 -0.09 -1.29 0.00 0.00 177.43 175.55 3rub h ARG 421 N 0.54 0.66 -0.43 0.81 9.65 0.66 0.11 114.38 126.39 3rub h ARG 421 Ca 0.13 -0.51 -0.13 0.00 -1.10 0.00 0.00 59.98 58.36 3rub h ARG 421 Cb 0.20 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 3rub h ARG 421 CO -0.00 1.13 -0.25 -0.39 2.80 0.00 0.00 179.97 183.26 3rub h VAL 422 N 0.34 1.27 0.12 0.20 -1.51 0.55 -0.78 116.25 116.44 3rub h VAL 422 Ca -0.03 -1.41 0.02 0.00 -1.23 0.00 0.00 66.70 64.05 3rub h VAL 422 Cb 1.22 1.25 -0.03 0.00 -2.13 0.00 0.00 31.29 31.60 3rub h VAL 422 CO 0.12 0.48 -0.26 0.00 -1.23 0.00 0.00 177.57 176.68 3rub h ALA 423 N 0.82 -0.44 -0.82 5.19 0.00 -1.08 0.22 119.26 123.15 3rub h ALA 423 Ca 0.09 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3rub h ALA 423 Cb 0.83 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3rub h ALA 423 CO 0.07 -0.80 0.48 1.25 0.00 0.00 0.00 179.25 180.26 3rub h LEU 424 N -0.47 0.72 -0.70 0.00 5.85 -0.55 -2.19 115.31 117.98 3rub h LEU 424 Ca 0.03 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 3rub h LEU 424 Cb 0.49 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3rub h LEU 424 CO -0.15 0.44 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.94 3rub h GLU 425 N 0.85 0.88 -0.40 1.25 5.08 -0.24 -1.39 114.58 120.61 3rub h GLU 425 Ca 0.38 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3rub h GLU 425 Cb 0.27 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3rub h GLU 425 CO -0.21 0.95 0.21 0.00 -1.00 0.00 0.00 179.01 178.96 3rub h ALA 426 N 1.07 0.50 -0.83 3.43 0.00 -0.20 -0.21 119.26 123.02 3rub h ALA 426 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3rub h ALA 426 Cb 0.64 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3rub h ALA 426 CO 0.04 -0.15 0.42 0.00 0.00 0.00 0.00 179.25 179.57 3rub h VAL 428 N 1.18 1.29 0.37 0.00 2.07 -0.56 -1.77 116.25 118.82 3rub h VAL 428 Ca 0.29 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 3rub h VAL 428 Cb 0.08 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3rub h VAL 428 CO -0.04 0.61 -0.18 0.50 0.02 0.00 0.00 177.57 178.48 3rub h LYS 429 N 0.50 -0.48 -0.45 1.57 3.64 -0.95 0.25 116.57 120.65 3rub h LYS 429 Ca -0.05 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3rub h LYS 429 Cb 1.36 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 33.19 3rub h LYS 429 CO 0.15 -0.31 -0.28 0.00 -2.27 0.00 0.00 179.45 176.73 3rub h ALA 430 N 0.13 -0.04 -0.55 5.00 0.00 -1.06 0.30 119.26 123.04 3rub h ALA 430 Ca -0.05 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3rub h ALA 430 Cb 0.38 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3rub h ALA 430 CO 0.08 -0.65 0.28 -0.09 0.00 0.00 0.00 179.25 178.87 3rub h ARG 431 N -0.19 0.52 -0.56 0.00 2.43 -1.21 -0.01 114.38 115.35 3rub h ARG 431 Ca 0.20 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3rub h ARG 431 Cb 0.51 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3rub h ARG 431 CO -0.56 0.35 0.19 -0.91 -1.51 0.00 0.00 179.97 177.52 3rub h ASN 432 N 0.54 0.76 0.11 -3.80 2.35 0.44 -1.22 115.58 114.75 3rub h ASN 432 Ca 0.25 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3rub h ASN 432 Cb 0.16 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3rub h ASN 432 CO -0.17 0.71 0.00 -0.62 -1.65 0.00 0.00 177.43 175.70 3rub n GLU 433 N -4.31 0.69 -0.30 0.81 1.02 0.93 -4.87 120.64 114.62 3rub n GLU 433 Ca 0.04 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3rub n GLU 433 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3rub n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3rub n GLY 434 N 0.63 0.71 3.76 0.62 0.00 -0.46 -5.07 105.19 105.38 3rub n GLY 434 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3rub n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3rub s ARG 435 N -0.70 2.78 -0.39 1.61 0.52 -0.14 -4.98 118.95 117.65 3rub s ARG 435 Ca 0.00 1.47 -0.20 0.00 -0.52 0.00 0.00 55.73 56.48 3rub s ARG 435 Cb 0.00 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.54 3rub s ARG 435 CO 0.00 -1.28 0.62 0.34 0.02 0.00 0.00 175.30 175.01 3rub s ASP 436 N -2.41 6.37 0.36 0.23 2.15 -1.26 -4.44 116.67 117.67 3rub s ASP 436 Ca 0.69 -0.08 0.08 0.00 0.43 0.00 0.00 52.55 53.67 3rub s ASP 436 Cb -0.22 -2.32 0.68 0.00 -0.30 0.00 0.00 42.92 40.76 3rub s ASP 436 CO 0.40 -0.66 1.86 -0.07 -0.17 0.00 0.00 175.17 176.53 3rub h LEU 437 N 9.47 0.27 -0.78 -1.34 3.38 -1.93 0.52 115.31 124.90 3rub h LEU 437 Ca -0.26 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 3rub h LEU 437 Cb 1.11 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3rub h LEU 437 CO 0.85 0.47 -0.47 0.00 0.09 0.00 0.00 178.44 179.38 3rub h ALA 438 N 1.56 0.96 0.12 1.53 0.00 -1.91 -0.59 119.26 120.93 3rub h ALA 438 Ca 0.05 -0.46 -0.36 0.00 0.00 0.00 0.00 54.91 54.13 3rub h ALA 438 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3rub h ALA 438 CO 0.03 0.65 -2.01 1.04 0.00 0.00 0.00 179.25 178.95 3rub n GLN 439 N -3.98 0.75 -0.57 0.00 6.02 -1.03 -4.47 117.38 114.10 3rub n GLN 439 Ca -0.02 0.26 0.08 0.00 -0.01 0.00 0.00 57.00 57.31 3rub n GLN 439 Cb 0.53 -1.70 0.32 0.00 1.02 0.00 0.00 30.24 30.41 3rub n GLN 439 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3rub n GLU 440 N -3.46 3.65 -0.22 -1.09 1.02 0.18 -4.76 120.64 115.96 3rub n GLU 440 Ca -0.32 -2.82 -0.09 0.00 -0.02 0.00 0.00 57.16 53.90 3rub n GLU 440 Cb 1.05 -1.87 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 3rub n GLU 440 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3rub h GLY 441 N 3.24 -0.57 1.21 0.62 0.00 -1.26 -0.89 103.07 105.42 3rub h GLY 441 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.96 3rub h GLY 441 CO 0.25 -0.13 0.51 3.43 0.00 0.00 0.00 176.54 180.60 3rub h ASN 442 N -0.22 0.87 -0.29 0.19 -0.26 -1.86 -1.32 115.58 112.70 3rub h ASN 442 Ca 0.17 -0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.82 3rub h ASN 442 Cb 0.56 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 3rub h ASN 442 CO -0.71 0.62 -0.10 -0.33 -1.06 0.00 0.00 177.43 175.85 3rub h GLU 443 N 1.02 0.57 -0.26 0.81 4.39 -1.65 0.32 114.58 119.79 3rub h GLU 443 Ca 0.29 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3rub h GLU 443 Cb -0.08 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3rub h GLU 443 CO -0.07 0.79 0.11 0.82 -1.16 0.00 0.00 179.01 179.50 3rub h ILE 444 N 0.33 1.16 0.42 3.13 2.04 -0.78 0.34 117.51 124.15 3rub h ILE 444 Ca 0.07 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3rub h ILE 444 Cb 0.59 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3rub h ILE 444 CO 0.03 0.17 -0.31 0.40 0.00 0.00 0.00 178.15 178.44 3rub h ILE 445 N 0.27 0.00 -0.92 -0.67 1.08 -1.22 -1.82 117.51 114.23 3rub h ILE 445 Ca 0.09 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.82 3rub h ILE 445 Cb 0.16 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.76 3rub h ILE 445 CO -0.01 0.00 0.25 -0.09 -0.69 0.00 0.00 178.15 177.61 3rub h ARG 446 N -0.70 0.15 -0.43 2.37 1.12 -0.78 0.24 114.38 116.35 3rub h ARG 446 Ca -0.06 -0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 58.72 3rub h ARG 446 Cb 0.57 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.48 3rub h ARG 446 CO 0.02 0.10 -0.09 0.93 -3.11 0.00 0.00 179.97 177.82 3rub h GLU 447 N 0.15 0.76 -0.33 0.20 5.08 0.08 -2.88 114.58 117.64 3rub h GLU 447 Ca 0.61 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 3rub h GLU 447 Cb 1.30 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 3rub h GLU 447 CO -0.72 0.83 -0.05 0.00 -1.00 0.00 0.00 179.01 178.07 3rub h ALA 448 N 1.20 1.29 0.00 3.43 0.00 0.28 -0.77 119.26 124.70 3rub h ALA 448 Ca 0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3rub h ALA 448 Cb 0.56 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3rub h ALA 448 CO 0.03 0.47 -0.01 0.00 0.00 0.00 0.00 179.25 179.74 3rub h LYS 450 N 0.00 0.96 -0.20 0.00 1.57 -1.11 -3.21 116.57 114.58 3rub h LYS 450 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3rub h LYS 450 Cb 0.03 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3rub h LYS 450 CO 0.00 0.80 0.00 -2.67 -0.57 0.00 0.00 179.45 177.01 3rub n TRP 451 N -4.29 0.41 -3.61 -1.35 4.27 -0.36 -4.85 117.44 107.65 3rub n TRP 451 Ca 0.05 -0.66 -0.29 0.00 -3.89 0.00 0.00 57.50 52.71 3rub n TRP 451 Cb 0.19 -0.12 -0.14 0.00 -1.36 0.00 0.00 31.31 29.88 3rub n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3rub s SER 452 N -1.47 3.63 0.28 -0.67 0.15 -0.65 -4.97 113.70 109.99 3rub s SER 452 Ca 0.23 -1.67 0.01 0.00 0.70 0.00 0.00 55.95 55.22 3rub s SER 452 Cb 0.17 -0.60 0.63 0.00 -1.71 0.00 0.00 66.02 64.50 3rub s SER 452 CO 0.09 -0.40 1.73 -0.65 1.20 0.00 0.00 173.24 175.21 3rub h PRO 453 N 7.93 0.48 -0.20 5.44 0.11 -1.88 3.27 132.00 147.15 3rub h PRO 453 Ca -0.12 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.97 3rub h PRO 453 Cb 1.00 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3rub h PRO 453 CO 0.43 0.32 0.12 0.93 -0.21 0.00 0.00 178.00 179.58 3rub h GLU 454 N 0.49 0.24 -0.53 1.05 3.07 -1.93 1.70 114.58 118.68 3rub h GLU 454 Ca 0.51 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.25 3rub h GLU 454 Cb 0.86 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 3rub h GLU 454 CO -0.45 0.16 -0.08 1.25 -1.40 0.00 0.00 179.01 178.48 3rub h LEU 455 N 0.24 0.95 -0.15 1.33 5.85 -0.40 -2.33 115.31 120.81 3rub h LEU 455 Ca 0.08 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.51 3rub h LEU 455 Cb -0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3rub h LEU 455 CO -0.04 1.06 0.06 0.00 -0.34 0.00 0.00 178.44 179.18 3rub h ALA 456 N 1.03 0.17 -0.26 1.25 0.00 0.72 -1.23 119.26 120.94 3rub h ALA 456 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3rub h ALA 456 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3rub h ALA 456 CO 0.04 -0.38 0.18 0.00 0.00 0.00 0.00 179.25 179.09 3rub h ALA 457 N 1.08 2.03 0.00 0.00 0.00 0.30 -1.05 119.26 121.62 3rub h ALA 457 Ca 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3rub h ALA 457 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3rub h ALA 457 CO -0.05 -0.08 -0.42 0.00 0.00 0.00 0.00 179.25 178.70 3rub h ALA 458 N 1.86 0.82 -0.00 0.00 0.00 -0.83 -3.33 119.26 117.79 3rub h ALA 458 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3rub h ALA 458 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3rub h ALA 458 CO -0.02 0.52 -0.50 0.00 0.00 0.00 0.00 179.25 179.26 3rub h GLU 460 N 0.20 -0.12 -0.47 0.00 4.81 -1.64 0.85 114.58 118.22 3rub h GLU 460 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3rub h GLU 460 Cb 0.50 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3rub h GLU 460 CO 0.00 -0.08 0.23 0.28 -0.73 0.00 0.00 179.01 178.71 3rub h VAL 461 N -0.12 1.16 -0.25 0.32 2.07 -1.88 -2.51 116.25 115.04 3rub h VAL 461 Ca 0.13 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 67.05 3rub h VAL 461 Cb 0.32 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3rub h VAL 461 CO -0.32 0.18 -0.45 -0.25 0.02 0.00 0.00 177.57 176.75 3rub h TRP 462 N 0.66 0.94 -0.66 1.57 7.01 -1.75 -3.16 115.95 120.56 3rub h TRP 462 Ca 0.17 -0.33 0.07 0.00 2.11 0.00 0.00 58.89 60.90 3rub h TRP 462 Cb 0.07 -0.18 -0.06 0.00 -2.10 0.00 0.00 29.16 26.89 3rub h TRP 462 CO 0.00 1.12 0.35 0.87 -2.79 0.00 0.00 178.44 178.00 3rub h LYS 463 N 0.49 0.61 0.23 2.65 1.57 -0.62 -1.61 116.57 119.88 3rub h LYS 463 Ca 0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3rub h LYS 463 Cb 1.06 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3rub h LYS 463 CO 0.10 0.40 -0.11 0.93 -0.57 0.00 0.00 179.45 180.21 3rub h GLU 464 N 0.63 -0.29 -0.45 3.15 4.39 -1.46 0.11 114.58 120.66 3rub h GLU 464 Ca 0.31 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.95 3rub h GLU 464 Cb 0.24 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3rub h GLU 464 CO -0.21 -0.17 -0.05 0.82 -1.16 0.00 0.00 179.01 178.25 3rub h ILE 465 N -0.34 1.25 0.00 3.13 2.04 -1.42 -3.28 117.51 118.88 3rub h ILE 465 Ca -0.03 -1.06 -0.16 0.00 1.00 0.00 0.00 64.86 64.61 3rub h ILE 465 Cb 0.26 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3rub h ILE 465 CO 0.05 0.37 -1.92 0.52 0.00 0.00 0.00 178.15 177.16 3rub n VAL 466 N -4.20 0.77 -0.17 1.67 0.31 -0.65 -5.13 118.33 110.93 3rub n VAL 466 Ca 0.02 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3rub n VAL 466 Cb 0.32 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 3rub n VAL 466 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00