#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4rub n SER 10 N 0.00 -0.24 -1.48 0.00 3.41 -1.26 -4.97 113.62 109.09 4rub n SER 10 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 4rub n SER 10 Cb 0.00 0.47 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 4rub n SER 10 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 4rub n VAL 11 N 0.47 -5.99 -1.37 -3.33 0.31 -1.26 -4.94 118.33 102.23 4rub n VAL 11 Ca 0.00 1.09 -0.39 0.00 -0.01 0.00 0.00 64.34 65.03 4rub n VAL 11 Cb 0.00 -4.09 0.02 0.00 -0.91 0.00 0.00 33.84 28.86 4rub n VAL 11 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4rub n GLY 12 N 0.63 -2.24 3.70 2.92 0.00 -1.26 -4.85 105.19 104.08 4rub n GLY 12 Ca -0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 4rub n GLY 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 4rub s PHE 13 N -1.80 3.25 -0.37 1.61 5.36 -1.26 -4.96 117.98 119.82 4rub s PHE 13 Ca 0.63 1.23 0.01 0.00 -0.96 0.00 0.00 56.93 57.84 4rub s PHE 13 Cb -0.50 -3.43 0.11 0.00 -0.34 0.00 0.00 43.02 38.87 4rub s PHE 13 CO 0.60 -1.34 0.14 0.21 -1.46 0.00 0.00 175.22 173.36 4rub s LYS 14 N 1.85 1.13 0.69 10.12 2.20 -1.26 -5.11 119.74 129.37 4rub s LYS 14 Ca 0.57 -1.62 -0.16 0.00 -0.36 0.00 0.00 55.97 54.40 4rub s LYS 14 Cb -0.26 -2.45 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 4rub s LYS 14 CO 0.25 -1.03 0.71 0.00 -0.36 0.00 0.00 175.35 174.92 4rub n ALA 15 N 4.24 -0.89 0.00 3.13 0.00 -1.26 -4.83 120.51 120.90 4rub n ALA 15 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.29 4rub n ALA 15 Cb 0.39 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.88 4rub n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4rub n GLY 16 N 1.45 2.96 3.82 0.00 0.00 -1.26 -4.92 105.19 107.23 4rub n GLY 16 Ca 0.12 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 4rub n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4rub s VAL 17 N -2.55 3.67 0.10 1.61 1.01 -1.26 -1.56 120.40 121.43 4rub s VAL 17 Ca 0.00 0.54 -0.21 0.00 0.00 0.00 0.00 61.98 62.32 4rub s VAL 17 Cb 0.00 -3.31 0.05 0.00 0.00 0.00 0.00 36.38 33.12 4rub s VAL 17 CO 0.00 -0.71 0.51 -0.54 0.00 0.00 0.00 175.10 174.36 4rub s LYS 18 N -5.11 1.11 0.51 2.72 1.02 -1.26 -4.92 119.74 113.81 4rub s LYS 18 Ca 0.59 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.95 4rub s LYS 18 Cb -0.14 0.50 -0.07 0.00 -0.52 0.00 0.00 37.83 37.60 4rub s LYS 18 CO 0.54 -0.44 1.07 -1.21 -0.92 0.00 0.00 175.35 174.40 4rub s GLU 19 N -3.19 3.62 0.18 1.68 8.01 -1.26 -4.89 118.70 122.84 4rub s GLU 19 Ca -0.01 1.44 -0.13 0.00 0.01 0.00 0.00 54.97 56.28 4rub s GLU 19 Cb 0.00 -2.06 0.16 0.00 -4.31 0.00 0.00 34.13 27.92 4rub s GLU 19 CO -0.08 -0.60 1.74 1.88 0.01 0.00 0.00 175.26 178.21 4rub h TYR 20 N 1.37 0.25 -0.65 1.61 0.05 -1.91 -2.53 116.97 115.17 4rub h TYR 20 Ca -0.50 0.03 0.23 0.00 0.05 0.00 0.00 58.73 58.54 4rub h TYR 20 Cb 1.23 -0.04 -0.12 0.00 1.01 0.00 0.00 36.73 38.81 4rub h TYR 20 CO 0.55 0.07 0.19 1.17 -1.05 0.00 0.00 178.16 179.08 4rub n LYS 21 N -5.04 -0.05 0.19 4.88 4.81 -1.26 -0.33 118.16 121.36 4rub n LYS 21 Ca 0.05 0.94 0.12 0.00 -0.87 0.00 0.00 58.31 58.55 4rub n LYS 21 Cb 0.21 -1.59 0.67 0.00 0.02 0.00 0.00 35.03 34.33 4rub n LYS 21 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 4rub h LEU 22 N 0.00 0.00 0.00 3.14 -0.00 -1.78 -3.13 115.31 113.53 4rub h LEU 22 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.36 4rub h LEU 22 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 4rub h LEU 22 CO -0.56 0.00 -0.92 0.41 -0.00 0.00 0.00 178.44 177.37 4rub n THR 23 N -4.45 0.00 0.81 0.22 -1.04 0.55 -4.78 114.28 105.59 4rub n THR 23 Ca 0.01 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.14 4rub n THR 23 Cb 0.24 -0.37 0.15 0.00 -1.82 0.00 0.00 70.33 68.54 4rub n THR 23 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 4rub n TYR 24 N -1.68 0.15 -3.76 -1.42 4.01 -0.80 -4.75 117.16 108.91 4rub n TYR 24 Ca 0.00 -0.08 -0.37 0.00 -0.16 0.00 0.00 57.90 57.29 4rub n TYR 24 Cb 0.28 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.18 4rub n TYR 24 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 4rub s TYR 25 N -1.85 3.20 -0.40 -0.72 5.04 -1.18 -0.48 117.35 120.96 4rub s TYR 25 Ca 0.32 -1.24 0.09 0.00 -2.44 0.00 0.00 57.07 53.79 4rub s TYR 25 Cb 0.21 -2.26 0.28 0.00 0.35 0.00 0.00 41.96 40.53 4rub s TYR 25 CO 0.31 -0.67 0.64 2.41 -1.34 0.00 0.00 175.55 176.90 4rub n THR 26 N 4.83 -0.46 0.10 4.34 -1.04 0.05 -4.87 114.28 117.23 4rub n THR 26 Ca -0.13 -3.79 0.01 0.00 -2.04 0.00 0.00 64.05 58.10 4rub n THR 26 Cb 0.46 -1.03 0.06 0.00 -1.82 0.00 0.00 70.33 68.01 4rub n THR 26 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 4rub n PRO 27 N 1.11 0.00 -0.04 -2.82 -0.04 -1.26 -1.56 135.00 130.39 4rub n PRO 27 Ca 0.20 0.45 -0.11 0.00 -0.04 0.00 0.00 63.50 64.00 4rub n PRO 27 Cb 0.58 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 4rub n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 4rub h GLU 28 N 0.00 0.24 -6.00 0.54 3.07 -1.92 -3.47 114.58 107.03 4rub h GLU 28 Ca 0.00 -0.06 -0.77 0.00 -0.50 0.00 0.00 59.36 58.04 4rub h GLU 28 Cb 0.05 -0.03 0.06 0.00 -0.84 0.00 0.00 28.75 27.99 4rub h GLU 28 CO 0.00 0.38 -0.03 0.98 -1.40 0.00 0.00 179.01 178.94 4rub n TYR 29 N -4.83 0.47 -3.75 4.33 9.36 -0.60 -4.99 117.16 117.15 4rub n TYR 29 Ca -0.05 1.04 -0.37 0.00 3.32 0.00 0.00 57.90 61.84 4rub n TYR 29 Cb 0.15 -2.07 -0.12 0.00 -0.63 0.00 0.00 39.34 36.67 4rub n TYR 29 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 4rub s GLN 30 N -0.16 2.41 0.28 2.98 -1.52 -1.26 -5.01 119.66 117.39 4rub s GLN 30 Ca 0.87 -1.44 -0.30 0.00 -1.95 0.00 0.00 55.36 52.53 4rub s GLN 30 Cb -1.21 -3.51 -0.11 0.00 -0.22 0.00 0.00 33.01 27.95 4rub s GLN 30 CO 0.57 -0.84 1.57 0.95 -0.25 0.00 0.00 175.29 177.29 4rub s THR 31 N 1.31 2.17 0.36 -0.19 -4.23 -1.26 -5.02 115.64 108.78 4rub s THR 31 Ca 0.01 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.54 4rub s THR 31 Cb -0.21 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.46 4rub s THR 31 CO -0.00 0.02 0.74 -0.54 -0.54 0.00 0.00 174.62 174.30 4rub s LYS 32 N -0.43 3.86 0.65 3.99 3.01 -1.26 -4.98 119.74 124.59 4rub s LYS 32 Ca 0.63 0.53 0.40 0.00 -1.01 0.00 0.00 55.97 56.52 4rub s LYS 32 Cb -0.47 -2.42 2.23 0.00 -1.01 0.00 0.00 37.83 36.16 4rub s LYS 32 CO 0.47 0.06 2.30 -0.44 0.51 0.00 0.00 175.35 178.25 4rub h ASP 33 N 1.71 0.00 -0.33 2.83 3.32 -2.03 -1.79 116.42 120.13 4rub h ASP 33 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 4rub h ASP 33 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 4rub h ASP 33 CO 0.65 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.52 4rub n THR 34 N -3.22 0.44 -2.69 0.35 -2.24 -1.26 -4.69 114.28 100.97 4rub n THR 34 Ca -0.03 -0.72 -0.37 0.00 -2.27 0.00 0.00 64.05 60.67 4rub n THR 34 Cb 0.12 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 4rub n THR 34 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 4rub s ASP 35 N -1.49 7.11 0.03 3.42 1.01 -0.68 -3.36 116.67 122.72 4rub s ASP 35 Ca 0.36 1.91 -0.23 0.00 0.71 0.00 0.00 52.55 55.29 4rub s ASP 35 Cb 0.21 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.51 4rub s ASP 35 CO 0.30 -0.23 0.69 -0.63 0.21 0.00 0.00 175.17 175.51 4rub s ILE 36 N -1.66 4.78 0.13 0.77 1.09 0.31 -4.41 121.20 122.20 4rub s ILE 36 Ca 0.53 1.47 0.11 0.00 -1.10 0.00 0.00 60.65 61.66 4rub s ILE 36 Cb -0.19 -4.04 -0.04 0.00 -1.06 0.00 0.00 42.46 37.13 4rub s ILE 36 CO 0.25 0.40 -0.26 -0.76 -0.10 0.00 0.00 174.94 174.46 4rub s LEU 37 N -0.19 2.32 -0.03 2.97 1.43 -1.06 0.28 118.68 124.40 4rub s LEU 37 Ca 0.35 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 4rub s LEU 37 Cb -0.20 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 44.86 4rub s LEU 37 CO 0.21 0.17 0.01 0.00 0.23 0.00 0.00 176.35 176.97 4rub s ALA 38 N -1.07 0.25 -0.68 4.21 0.00 0.42 -0.09 121.76 124.81 4rub s ALA 38 Ca 0.13 0.20 -0.19 0.00 0.00 0.00 0.00 51.96 52.11 4rub s ALA 38 Cb -0.10 -0.31 0.11 0.00 0.00 0.00 0.00 23.12 22.82 4rub s ALA 38 CO 0.06 -0.10 0.82 0.00 0.00 0.00 0.00 175.76 176.53 4rub s ALA 39 N 1.08 3.43 0.09 0.00 0.00 -0.46 -1.20 121.76 124.71 4rub s ALA 39 Ca -0.09 -2.36 -0.12 0.00 0.00 0.00 0.00 51.96 49.38 4rub s ALA 39 Cb -0.13 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 4rub s ALA 39 CO -0.02 -2.51 0.46 -0.06 0.00 0.00 0.00 175.76 173.63 4rub s PHE 40 N 2.65 3.62 -0.58 0.00 0.40 0.13 -2.11 117.98 122.09 4rub s PHE 40 Ca 0.17 0.93 -0.14 0.00 -0.60 0.00 0.00 56.93 57.29 4rub s PHE 40 Cb -0.19 -2.26 0.14 0.00 0.51 0.00 0.00 43.02 41.22 4rub s PHE 40 CO 0.03 0.51 0.51 0.50 0.70 0.00 0.00 175.22 177.47 4rub s ARG 41 N -1.79 2.97 -0.01 0.44 3.52 -0.30 -0.56 118.95 123.23 4rub s ARG 41 Ca 0.33 -1.88 -0.09 0.00 -0.13 0.00 0.00 55.73 53.97 4rub s ARG 41 Cb -0.15 -4.22 -0.05 0.00 -1.56 0.00 0.00 34.95 28.97 4rub s ARG 41 CO 0.18 -1.29 0.29 0.54 -0.81 0.00 0.00 175.30 174.21 4rub s VAL 42 N 1.25 5.26 -0.32 7.11 0.11 0.35 -2.91 120.40 131.25 4rub s VAL 42 Ca 0.07 0.34 -0.00 0.00 -2.93 0.00 0.00 61.98 59.45 4rub s VAL 42 Cb -0.25 -3.57 0.10 0.00 -1.53 0.00 0.00 36.38 31.12 4rub s VAL 42 CO -0.00 0.44 0.09 -0.89 -3.33 0.00 0.00 175.10 171.41 4rub s THR 43 N -1.22 1.08 0.91 5.04 2.01 -1.08 -1.10 115.64 121.27 4rub s THR 43 Ca 0.25 -1.55 -0.14 0.00 0.31 0.00 0.00 61.69 60.57 4rub s THR 43 Cb -0.14 -1.81 0.15 0.00 0.01 0.00 0.00 72.50 70.71 4rub s THR 43 CO 0.14 -0.67 1.21 -2.84 -0.69 0.00 0.00 174.62 171.76 4rub s PRO 44 N 1.50 1.09 -0.07 4.92 0.02 -1.25 -1.19 135.00 140.01 4rub s PRO 44 Ca 0.10 -0.02 -0.17 0.00 0.02 0.00 0.00 61.00 60.93 4rub s PRO 44 Cb -0.18 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 4rub s PRO 44 CO -0.23 -2.17 0.47 -1.14 -0.33 0.00 0.00 177.00 173.60 4rub s GLN 45 N -5.58 4.23 0.00 5.54 2.00 -0.85 -4.48 119.66 120.51 4rub s GLN 45 Ca 0.67 0.46 0.00 0.00 -2.00 0.00 0.00 55.36 54.49 4rub s GLN 45 Cb -0.10 -3.37 0.00 0.00 0.80 0.00 0.00 33.01 30.35 4rub s GLN 45 CO 0.52 0.33 0.00 -2.30 -0.50 0.00 0.00 175.29 173.34 4rub n PRO 46 N 3.04 0.00 -0.28 1.67 -0.02 -1.26 0.38 135.00 138.53 4rub n PRO 46 Ca -0.09 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.46 4rub n PRO 46 Cb 0.52 0.00 0.21 0.00 -0.02 0.00 0.00 33.50 34.21 4rub n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4rub n GLY 47 N -0.10 1.33 3.53 -1.23 0.00 -1.26 -4.85 105.19 102.61 4rub n GLY 47 Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 4rub n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4rub s VAL 48 N -1.48 4.97 0.42 1.61 1.01 0.16 -5.02 120.40 122.06 4rub s VAL 48 Ca 0.31 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 4rub s VAL 48 Cb 0.17 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 4rub s VAL 48 CO 0.19 -0.37 1.40 -2.16 0.00 0.00 0.00 175.10 174.16 4rub s PRO 49 N 2.48 3.88 0.17 2.72 0.04 -1.26 -4.67 135.00 138.36 4rub s PRO 49 Ca 0.19 2.37 -0.14 0.00 0.04 0.00 0.00 61.00 63.46 4rub s PRO 49 Cb -0.15 -2.77 0.11 0.00 0.04 0.00 0.00 34.50 31.73 4rub s PRO 49 CO 0.15 -0.64 1.77 -1.00 0.04 0.00 0.00 177.00 177.31 4rub h PRO 50 N 2.61 0.38 0.00 0.56 0.13 -1.98 0.53 132.00 134.23 4rub h PRO 50 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 4rub h PRO 50 Cb 1.25 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.30 4rub h PRO 50 CO 0.62 0.25 0.00 -0.85 -0.23 0.00 0.00 178.00 177.79 4rub n GLU 51 N -4.96 0.02 -0.10 0.86 0.00 -1.26 -0.38 120.64 114.83 4rub n GLU 51 Ca 0.03 0.36 -0.23 0.00 0.00 0.00 0.00 57.16 57.32 4rub n GLU 51 Cb 0.14 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 29.97 4rub n GLU 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 4rub n GLU 52 N -1.44 0.59 -0.15 3.44 4.07 0.18 -3.47 120.64 123.86 4rub n GLU 52 Ca 0.02 0.49 -0.10 0.00 -0.06 0.00 0.00 57.16 57.51 4rub n GLU 52 Cb 0.06 -1.71 -0.07 0.00 -0.06 0.00 0.00 31.44 29.66 4rub n GLU 52 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 4rub h ALA 53 N -0.48 -0.60 -0.86 4.31 0.00 -0.23 0.15 119.26 121.55 4rub h ALA 53 Ca -0.41 0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.74 4rub h ALA 53 Cb 1.44 1.08 -0.13 0.00 0.00 0.00 0.00 17.79 20.19 4rub h ALA 53 CO -0.20 -0.83 0.28 0.78 0.00 0.00 0.00 179.25 179.28 4rub h GLY 54 N -0.23 1.36 2.00 0.00 0.00 -0.90 0.28 103.07 105.59 4rub h GLY 54 Ca 0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 4rub h GLY 54 CO -0.50 -0.30 -0.51 0.00 0.00 0.00 0.00 176.54 175.23 4rub h ALA 55 N 1.72 0.79 -0.17 3.60 0.00 -1.04 -1.84 119.26 122.32 4rub h ALA 55 Ca 0.53 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 4rub h ALA 55 Cb 1.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 4rub h ALA 55 CO -0.58 0.63 -0.24 0.00 0.00 0.00 0.00 179.25 179.07 4rub h ALA 56 N 1.49 0.26 -0.24 0.00 0.00 0.21 0.45 119.26 121.44 4rub h ALA 56 Ca -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.56 4rub h ALA 56 Cb 1.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 4rub h ALA 56 CO 0.07 0.23 0.06 0.28 0.00 0.00 0.00 179.25 179.88 4rub h VAL 57 N 0.11 0.90 -0.13 0.00 2.07 -0.88 -0.69 116.25 117.63 4rub h VAL 57 Ca 0.02 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 4rub h VAL 57 Cb 0.81 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 4rub h VAL 57 CO 0.06 0.03 -0.50 0.00 0.02 0.00 0.00 177.57 177.17 4rub h ALA 58 N 1.17 0.89 -0.01 1.67 0.00 -1.23 -3.22 119.26 118.53 4rub h ALA 58 Ca 0.11 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 4rub h ALA 58 Cb 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.80 4rub h ALA 58 CO -0.13 0.67 -0.28 0.00 0.00 0.00 0.00 179.25 179.51 4rub h ALA 59 N 1.18 0.05 0.00 0.00 0.00 -0.51 -3.14 119.26 116.85 4rub h ALA 59 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.46 4rub h ALA 59 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 4rub h ALA 59 CO 0.08 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.83 4rub n GLU 60 N -4.48 0.79 0.00 0.00 -0.58 -0.30 -0.51 120.64 115.55 4rub n GLU 60 Ca -0.10 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.70 4rub n GLU 60 Cb 0.51 -1.26 0.04 0.00 -0.57 0.00 0.00 31.44 30.16 4rub n GLU 60 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 4rub n SER 61 N -0.76 1.79 0.00 1.62 7.64 -1.21 -4.58 113.62 118.11 4rub n SER 61 Ca 0.10 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.58 4rub n SER 61 Cb 0.05 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 4rub n SER 61 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 4rub n SER 62 N 0.48 0.00 0.00 6.43 3.41 -0.91 -4.53 113.62 118.51 4rub n SER 62 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 4rub n SER 62 Cb 0.26 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 4rub n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 4rub n THR 63 N -2.49 0.00 -4.45 6.66 -2.24 -1.04 -4.93 114.28 105.78 4rub n THR 63 Ca 0.00 -0.25 -0.27 0.00 -2.27 0.00 0.00 64.05 61.25 4rub n THR 63 Cb 0.00 1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 69.19 4rub n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 4rub s GLY 64 N -0.46 2.49 0.00 3.38 0.00 0.33 -5.06 107.32 108.01 4rub s GLY 64 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 42.65 4rub s GLY 64 CO 0.00 -2.04 0.00 -0.37 0.00 0.00 0.00 173.10 170.69 4rub n THR 65 N -1.10 0.00 1.83 0.90 5.66 -1.26 -3.99 114.28 116.32 4rub n THR 65 Ca -0.05 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.11 4rub n THR 65 Cb 0.66 0.00 0.89 0.00 -1.55 0.00 0.00 70.33 70.33 4rub n THR 65 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 4rub n TRP 66 N 0.00 0.00 -4.01 1.09 4.27 -1.26 -4.93 117.44 112.60 4rub n TRP 66 Ca 0.00 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.48 4rub n TRP 66 Cb 0.00 -0.07 -0.03 0.00 -1.36 0.00 0.00 31.31 29.85 4rub n TRP 66 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 4rub n THR 67 N -1.07 0.00 -3.66 -1.67 5.66 -1.26 -4.64 114.28 107.63 4rub n THR 67 Ca 0.21 -1.57 -0.35 0.00 -3.05 0.00 0.00 64.05 59.29 4rub n THR 67 Cb 0.14 0.94 -0.08 0.00 -1.55 0.00 0.00 70.33 69.78 4rub n THR 67 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 4rub s THR 68 N -2.80 5.37 -0.10 1.09 2.01 -0.60 -4.92 115.64 115.69 4rub s THR 68 Ca 0.26 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.61 4rub s THR 68 Cb -0.01 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.98 4rub s THR 68 CO 0.18 0.42 -0.20 0.68 -0.69 0.00 0.00 174.62 175.01 4rub s VAL 69 N 0.39 1.83 0.40 3.82 -7.23 -1.26 -4.31 120.40 114.04 4rub s VAL 69 Ca 0.11 -0.87 0.13 0.00 -1.81 0.00 0.00 61.98 59.54 4rub s VAL 69 Cb -0.12 -1.61 0.34 0.00 0.56 0.00 0.00 36.38 35.55 4rub s VAL 69 CO 0.00 0.51 1.90 4.11 -0.31 0.00 0.00 175.10 181.31 4rub h TRP 70 N 6.99 0.62 -1.07 2.82 5.08 -1.98 -2.99 115.95 125.41 4rub h TRP 70 Ca -0.26 0.02 0.31 0.00 1.08 0.00 0.00 58.89 60.04 4rub h TRP 70 Cb 1.21 -0.19 -0.04 0.00 -3.00 0.00 0.00 29.16 27.13 4rub h TRP 70 CO 0.47 0.23 0.86 1.79 -1.28 0.00 0.00 178.44 180.51 4rub h THR 71 N 0.53 0.33 -0.87 0.12 1.35 -2.01 -0.02 112.91 112.33 4rub h THR 71 Ca 0.40 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 66.45 4rub h THR 71 Cb 0.79 0.38 -0.06 0.00 -1.73 0.00 0.00 68.15 67.52 4rub h THR 71 CO -0.15 0.00 0.58 0.44 -0.25 0.00 0.00 175.52 176.14 4rub h ASP 72 N 0.00 0.38 0.47 5.36 3.32 -1.87 0.17 116.42 124.25 4rub h ASP 72 Ca 0.51 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.59 4rub h ASP 72 Cb 2.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.73 4rub h ASP 72 CO -0.01 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 4rub n GLY 73 N -1.53 -0.97 0.13 2.75 0.00 -0.02 -1.73 105.19 103.82 4rub n GLY 73 Ca 0.18 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 4rub n GLY 73 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 4rub h LEU 74 N 0.00 0.63 0.00 0.99 4.07 -0.85 2.21 115.31 122.36 4rub h LEU 74 Ca 0.00 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.32 4rub h LEU 74 Cb 0.24 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.77 4rub h LEU 74 CO 0.00 1.49 0.00 1.07 -1.08 0.00 0.00 178.44 179.92 4rub n THR 75 N -3.65 0.00 -3.71 0.22 5.66 -0.70 -4.81 114.28 107.29 4rub n THR 75 Ca -0.12 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.59 4rub n THR 75 Cb 1.03 -0.28 -0.15 0.00 -1.55 0.00 0.00 70.33 69.37 4rub n THR 75 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 4rub s SER 76 N 0.40 3.65 0.00 1.09 1.04 -1.25 -3.52 113.70 115.10 4rub s SER 76 Ca 0.00 -1.35 0.06 0.00 0.48 0.00 0.00 55.95 55.14 4rub s SER 76 Cb 0.00 -0.73 0.26 0.00 0.10 0.00 0.00 66.02 65.65 4rub s SER 76 CO 0.00 -0.38 1.15 0.18 0.98 0.00 0.00 173.24 175.16 4rub n LEU 77 N 4.95 0.00 0.06 2.42 4.77 -1.26 -1.56 117.00 126.38 4rub n LEU 77 Ca -0.05 0.45 -0.05 0.00 -0.03 0.00 0.00 56.01 56.33 4rub n LEU 77 Cb 0.43 -0.45 0.16 0.00 -2.33 0.00 0.00 43.42 41.23 4rub n LEU 77 CO 0.11 -0.36 0.58 0.44 -1.33 0.00 0.00 177.39 176.83 4rub h ASP 78 N 0.00 0.38 -0.00 -1.43 3.32 -1.95 0.76 116.42 117.49 4rub h ASP 78 Ca 0.00 -0.18 -0.21 0.00 0.02 0.00 0.00 57.03 56.66 4rub h ASP 78 Cb 0.09 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.54 4rub h ASP 78 CO 0.00 0.79 -0.78 0.03 -1.72 0.00 0.00 179.24 177.55 4rub h ARG 79 N 0.28 0.66 0.00 3.56 3.08 -1.74 -3.40 114.38 116.83 4rub h ARG 79 Ca 0.02 -0.55 -0.34 0.00 0.07 0.00 0.00 59.98 59.18 4rub h ARG 79 Cb 0.93 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.03 4rub h ARG 79 CO 0.08 1.17 -2.27 0.66 -1.07 0.00 0.00 179.97 178.53 4rub n TYR 80 N -3.90 0.00 -1.51 3.04 4.01 -1.18 -4.84 117.16 112.78 4rub n TYR 80 Ca -0.07 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.22 4rub n TYR 80 Cb 0.75 -0.89 -0.02 0.00 -0.31 0.00 0.00 39.34 38.87 4rub n TYR 80 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 4rub n LYS 81 N -2.91 0.84 -3.06 -0.72 2.85 0.25 -4.68 118.16 110.74 4rub n LYS 81 Ca -0.35 0.30 -0.37 0.00 -1.05 0.00 0.00 58.31 56.84 4rub n LYS 81 Cb 1.02 -1.55 -0.06 0.00 -0.65 0.00 0.00 35.03 33.78 4rub n LYS 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 4rub s GLY 82 N -0.75 2.67 -0.11 2.58 0.00 -1.26 -4.61 107.32 105.84 4rub s GLY 82 Ca 0.61 0.22 -0.06 0.00 0.00 0.00 0.00 44.72 45.49 4rub s GLY 82 CO 0.59 0.61 0.26 1.09 0.00 0.00 0.00 173.10 175.64 4rub s ARG 83 N -1.87 0.23 -0.71 2.90 1.70 0.05 -4.56 118.95 116.69 4rub s ARG 83 Ca 0.43 0.52 -0.27 0.00 -0.47 0.00 0.00 55.73 55.94 4rub s ARG 83 Cb -0.18 -0.08 0.02 0.00 -0.57 0.00 0.00 34.95 34.15 4rub s ARG 83 CO 0.22 -0.15 1.35 0.00 -1.08 0.00 0.00 175.30 175.64 4rub n TYR 85 N 9.77 1.01 0.00 0.00 4.11 -0.41 -0.77 117.16 130.86 4rub n TYR 85 Ca 0.06 -0.56 0.00 0.00 -0.00 0.00 0.00 57.90 57.39 4rub n TYR 85 Cb 0.49 -0.11 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 4rub n TYR 85 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 4rub n ARG 86 N 1.04 0.00 -4.47 -3.48 1.85 -1.22 -4.41 116.66 105.97 4rub n ARG 86 Ca 0.21 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.82 4rub n ARG 86 Cb 0.68 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.99 4rub n ARG 86 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 4rub s ILE 87 N -1.60 2.47 -0.16 8.89 1.01 -1.26 0.09 121.20 130.64 4rub s ILE 87 Ca 0.00 -2.38 -0.21 0.00 0.00 0.00 0.00 60.65 58.06 4rub s ILE 87 Cb 0.00 -2.35 0.05 0.00 0.01 0.00 0.00 42.46 40.18 4rub s ILE 87 CO 0.00 -0.38 0.55 -1.61 0.00 0.00 0.00 174.94 173.50 4rub s GLU 88 N -3.52 0.72 0.27 2.79 2.02 -1.04 -4.94 118.70 115.00 4rub s GLU 88 Ca 0.30 0.56 -0.19 0.00 0.02 0.00 0.00 54.97 55.66 4rub s GLU 88 Cb -0.04 0.35 -0.09 0.00 0.10 0.00 0.00 34.13 34.45 4rub s GLU 88 CO 0.15 -0.13 0.77 1.03 0.02 0.00 0.00 175.26 177.10 4rub s ARG 89 N -0.17 4.24 -0.55 1.61 0.52 -1.26 -1.65 118.95 121.69 4rub s ARG 89 Ca -0.04 0.90 -0.23 0.00 -0.52 0.00 0.00 55.73 55.84 4rub s ARG 89 Cb -0.03 -2.73 0.04 0.00 0.52 0.00 0.00 34.95 32.75 4rub s ARG 89 CO 0.03 0.30 0.90 0.08 0.02 0.00 0.00 175.30 176.63 4rub s VAL 90 N -1.68 4.45 0.02 3.52 1.01 -0.24 -4.88 120.40 122.60 4rub s VAL 90 Ca 0.48 0.17 -0.33 0.00 0.00 0.00 0.00 61.98 62.29 4rub s VAL 90 Cb -0.15 -4.51 -0.12 0.00 0.00 0.00 0.00 36.38 31.60 4rub s VAL 90 CO 0.20 -1.08 1.81 0.55 0.00 0.00 0.00 175.10 176.58 4rub n VAL 91 N 6.11 0.43 -2.82 2.92 3.14 -1.26 -1.98 118.33 124.87 4rub n VAL 91 Ca 0.01 -0.08 -0.06 0.00 -2.96 0.00 0.00 64.34 61.25 4rub n VAL 91 Cb 0.47 -1.88 0.03 0.00 -1.06 0.00 0.00 33.84 31.40 4rub n VAL 91 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 4rub n GLY 92 N 4.16 -0.90 3.64 7.55 0.00 -1.26 -5.04 105.19 113.34 4rub n GLY 92 Ca 0.20 0.38 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 4rub n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4rub s GLU 93 N -3.56 0.52 -0.46 1.61 2.56 -0.84 -5.12 118.70 113.42 4rub s GLU 93 Ca 0.18 0.75 -0.39 0.00 0.00 0.00 0.00 54.97 55.51 4rub s GLU 93 Cb -0.02 0.19 -0.16 0.00 2.00 0.00 0.00 34.13 36.13 4rub s GLU 93 CO 0.60 -0.08 2.20 1.63 -0.56 0.00 0.00 175.26 179.04 4rub n LYS 94 N 3.10 0.48 -1.62 4.30 4.01 -1.26 -3.47 118.16 123.69 4rub n LYS 94 Ca -0.16 0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 4rub n LYS 94 Cb 0.57 -1.95 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 4rub n LYS 94 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 4rub n ASP 95 N 8.84 0.00 -4.17 4.39 2.03 -1.26 -4.81 116.55 121.57 4rub n ASP 95 Ca 0.49 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.53 4rub n ASP 95 Cb 0.09 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.33 4rub n ASP 95 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 4rub s GLN 96 N -2.16 1.91 0.24 -0.67 0.74 -1.23 -3.91 119.66 114.59 4rub s GLN 96 Ca 0.00 -0.69 0.03 0.00 0.05 0.00 0.00 55.36 54.75 4rub s GLN 96 Cb 0.00 -1.68 -0.05 0.00 1.10 0.00 0.00 33.01 32.38 4rub s GLN 96 CO 0.00 0.30 0.03 0.71 -0.55 0.00 0.00 175.29 175.78 4rub s TYR 97 N -0.09 1.56 -0.43 1.67 2.02 -0.26 -1.08 117.35 120.74 4rub s TYR 97 Ca -0.02 -1.01 -0.02 0.00 -0.37 0.00 0.00 57.07 55.65 4rub s TYR 97 Cb -0.11 -0.92 0.12 0.00 -0.40 0.00 0.00 41.96 40.64 4rub s TYR 97 CO 0.02 -0.14 0.22 0.42 -1.57 0.00 0.00 175.55 174.51 4rub s ILE 98 N -3.53 3.24 0.11 2.71 -1.09 -0.66 0.13 121.20 122.12 4rub s ILE 98 Ca 0.31 -2.22 -0.23 0.00 -2.23 0.00 0.00 60.65 56.28 4rub s ILE 98 Cb 0.07 -3.22 -0.07 0.00 -1.58 0.00 0.00 42.46 37.65 4rub s ILE 98 CO 0.10 -0.71 0.69 0.00 -1.23 0.00 0.00 174.94 173.79 4rub s ALA 99 N 0.94 3.50 -0.17 9.38 0.00 0.28 -2.50 121.76 133.18 4rub s ALA 99 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.28 4rub s ALA 99 Cb -0.22 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.08 4rub s ALA 99 CO -0.04 0.30 -0.17 0.71 0.00 0.00 0.00 175.76 176.56 4rub s TYR 100 N -0.97 2.79 0.14 0.00 1.51 0.11 -0.70 117.35 120.23 4rub s TYR 100 Ca 0.33 -1.36 0.11 0.00 -1.01 0.00 0.00 57.07 55.14 4rub s TYR 100 Cb -0.21 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 4rub s TYR 100 CO 0.23 -0.67 -0.25 0.08 -1.11 0.00 0.00 175.55 173.83 4rub s VAL 101 N 1.14 2.34 -0.10 0.71 1.01 -0.34 -1.29 120.40 123.88 4rub s VAL 101 Ca 0.01 -1.78 0.02 0.00 0.00 0.00 0.00 61.98 60.23 4rub s VAL 101 Cb -0.14 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.19 4rub s VAL 101 CO -0.07 0.05 -0.16 0.00 0.00 0.00 0.00 175.10 174.92 4rub s ALA 102 N -1.19 1.68 -0.19 5.51 0.00 0.34 -0.43 121.76 127.48 4rub s ALA 102 Ca 0.16 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 4rub s ALA 102 Cb -0.10 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.27 4rub s ALA 102 CO 0.07 0.04 -0.15 0.71 0.00 0.00 0.00 175.76 176.43 4rub s TYR 103 N 0.78 2.83 0.47 0.00 2.02 0.14 -0.77 117.35 122.83 4rub s TYR 103 Ca -0.11 -1.35 -0.24 0.00 -0.37 0.00 0.00 57.07 55.00 4rub s TYR 103 Cb -0.16 -1.97 -0.07 0.00 -0.40 0.00 0.00 41.96 39.37 4rub s TYR 103 CO 0.02 -0.68 1.31 -1.25 -1.57 0.00 0.00 175.55 173.38 4rub s PRO 104 N 1.27 3.59 0.16 -1.71 0.04 -1.26 0.11 135.00 137.20 4rub s PRO 104 Ca 0.04 2.15 -0.22 0.00 0.04 0.00 0.00 61.00 63.00 4rub s PRO 104 Cb -0.14 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 31.97 4rub s PRO 104 CO -0.08 -0.80 1.60 1.25 0.04 0.00 0.00 177.00 179.01 4rub h LEU 105 N 2.06 -1.01 -0.56 -3.56 5.85 -1.92 -2.23 115.31 113.94 4rub h LEU 105 Ca -0.50 0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.56 4rub h LEU 105 Cb 1.27 0.48 -0.02 0.00 0.37 0.00 0.00 40.66 42.75 4rub h LEU 105 CO 0.60 -0.31 1.04 0.47 -0.34 0.00 0.00 178.44 179.90 4rub n ASP 106 N -5.41 0.00 0.20 1.25 9.92 -1.26 -1.88 116.55 119.37 4rub n ASP 106 Ca 0.01 0.60 0.10 0.00 -0.53 0.00 0.00 54.79 54.97 4rub n ASP 106 Cb 0.33 -0.14 0.14 0.00 -0.64 0.00 0.00 41.12 40.81 4rub n ASP 106 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 4rub h LEU 107 N 0.00 0.00 -9.30 0.64 3.38 -1.77 -3.46 115.31 104.79 4rub h LEU 107 Ca 0.26 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.57 4rub h LEU 107 Cb 2.33 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.94 4rub h LEU 107 CO -0.00 0.08 -0.59 -0.36 0.09 0.00 0.00 178.44 177.66 4rub s PHE 108 N -3.17 3.25 0.16 1.13 0.08 -0.79 -5.01 117.98 113.62 4rub s PHE 108 Ca 0.06 0.22 -0.30 0.00 0.12 0.00 0.00 56.93 57.03 4rub s PHE 108 Cb 0.05 -1.86 -0.07 0.00 -0.57 0.00 0.00 43.02 40.57 4rub s PHE 108 CO 0.68 0.45 1.11 -2.00 -0.10 0.00 0.00 175.22 175.37 4rub s GLU 109 N -0.69 4.57 0.59 0.44 2.12 -1.26 -4.99 118.70 119.48 4rub s GLU 109 Ca 0.11 1.71 -0.19 0.00 0.36 0.00 0.00 54.97 56.97 4rub s GLU 109 Cb -0.12 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 4rub s GLU 109 CO 0.02 0.03 1.22 -1.21 -0.54 0.00 0.00 175.26 174.79 4rub s GLU 110 N -0.17 2.96 0.00 4.30 8.01 -1.26 -3.38 118.70 129.16 4rub s GLU 110 Ca 0.50 1.87 0.00 0.00 0.01 0.00 0.00 54.97 57.36 4rub s GLU 110 Cb -0.29 -1.95 0.00 0.00 -4.31 0.00 0.00 34.13 27.58 4rub s GLU 110 CO 0.34 -1.23 0.00 0.41 0.01 0.00 0.00 175.26 174.79 4rub n GLY 111 N 0.57 0.02 3.27 -1.39 0.00 -1.22 -4.95 105.19 101.48 4rub n GLY 111 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 4rub n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4rub s SER 112 N -2.02 6.35 0.42 1.61 0.15 -1.22 -4.89 113.70 114.10 4rub s SER 112 Ca 0.00 -2.71 0.13 0.00 0.70 0.00 0.00 55.95 54.07 4rub s SER 112 Cb 0.00 -2.12 0.99 0.00 -1.71 0.00 0.00 66.02 63.19 4rub s SER 112 CO 0.00 -0.53 1.97 0.58 1.20 0.00 0.00 173.24 176.46 4rub h VAL 113 N 4.95 0.90 -0.36 4.45 2.07 -1.92 -2.38 116.25 123.95 4rub h VAL 113 Ca 0.06 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.50 4rub h VAL 113 Cb 1.02 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 4rub h VAL 113 CO 0.75 0.08 -0.24 0.74 0.02 0.00 0.00 177.57 178.92 4rub h THR 114 N 0.46 0.36 0.50 2.57 2.02 -1.92 -0.16 112.91 116.73 4rub h THR 114 Ca 0.29 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.45 4rub h THR 114 Cb 0.54 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 4rub h THR 114 CO -0.09 0.00 -0.24 -1.13 0.37 0.00 0.00 175.52 174.43 4rub h ASN 115 N -0.19 -0.57 -0.48 4.18 -0.73 -1.81 -0.31 115.58 115.68 4rub h ASN 115 Ca 0.18 -0.05 0.09 0.00 1.87 0.00 0.00 56.30 58.39 4rub h ASN 115 Cb 0.47 0.15 -0.10 0.00 0.27 0.00 0.00 38.32 39.11 4rub h ASN 115 CO -0.47 -0.28 -0.29 -0.03 -0.37 0.00 0.00 177.43 175.99 4rub h MET 116 N -0.87 -0.18 -0.39 6.67 4.05 -1.02 -0.17 114.93 123.03 4rub h MET 116 Ca -0.07 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 4rub h MET 116 Cb 0.59 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 4rub h MET 116 CO 0.11 -0.12 0.16 0.74 0.23 0.00 0.00 176.91 178.04 4rub h PHE 117 N -0.18 0.58 -0.87 1.39 -1.00 -1.05 -1.63 116.94 114.17 4rub h PHE 117 Ca 0.21 -0.04 0.19 0.00 2.81 0.00 0.00 57.97 61.13 4rub h PHE 117 Cb 0.52 -0.18 -0.11 0.00 3.61 0.00 0.00 35.95 39.79 4rub h PHE 117 CO -0.55 0.52 0.41 1.15 -1.61 0.00 0.00 178.31 178.23 4rub h THR 118 N 0.48 0.59 0.00 -1.55 2.02 0.70 0.07 112.91 115.22 4rub h THR 118 Ca 0.13 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.14 4rub h THR 118 Cb 0.18 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 4rub h THR 118 CO -0.01 0.09 0.00 -1.20 0.37 0.00 0.00 175.52 174.77 4rub n SER 119 N -4.97 0.00 -0.28 4.18 7.64 -0.54 -1.22 113.62 118.42 4rub n SER 119 Ca 0.20 0.57 0.17 0.00 1.01 0.00 0.00 58.87 60.83 4rub n SER 119 Cb 0.56 -0.43 0.46 0.00 -1.01 0.00 0.00 64.21 63.78 4rub n SER 119 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 4rub h ILE 120 N 0.00 0.68 -0.01 0.44 2.04 -1.21 -3.07 117.51 116.38 4rub h ILE 120 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 4rub h ILE 120 Cb 0.00 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 4rub h ILE 120 CO 0.00 0.09 0.00 0.52 0.00 0.00 0.00 178.15 178.76 4rub n VAL 121 N -4.58 0.17 0.00 1.67 0.31 0.00 -4.85 118.33 111.05 4rub n VAL 121 Ca 0.21 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 4rub n VAL 121 Cb 0.67 0.93 0.00 0.00 -0.91 0.00 0.00 33.84 34.52 4rub n VAL 121 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4rub n GLY 122 N -0.04 -3.34 0.02 2.92 0.00 -0.36 -4.49 105.19 99.91 4rub n GLY 122 Ca 0.01 0.67 -0.02 0.00 0.00 0.00 0.00 46.02 46.67 4rub n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 4rub n ASN 123 N -2.12 3.72 -0.31 1.61 3.02 -1.26 -4.81 115.26 115.11 4rub n ASN 123 Ca 0.00 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.76 4rub n ASN 123 Cb 0.00 0.68 0.49 0.00 -0.61 0.00 0.00 39.78 40.34 4rub n ASN 123 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 4rub h VAL 124 N 0.00 0.57 0.00 2.41 -1.51 -1.81 -1.57 116.25 114.34 4rub h VAL 124 Ca -0.13 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 4rub h VAL 124 Cb 1.24 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 4rub h VAL 124 CO 0.01 0.08 0.00 0.49 -1.23 0.00 0.00 177.57 176.91 4rub n PHE 125 N -4.61 0.13 -1.10 5.19 3.01 -1.26 -2.21 117.46 116.61 4rub n PHE 125 Ca 0.24 0.07 0.07 0.00 1.01 0.00 0.00 57.45 58.83 4rub n PHE 125 Cb 0.82 -0.61 0.23 0.00 -0.01 0.00 0.00 39.48 39.91 4rub n PHE 125 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 4rub n GLY 126 N -1.12 4.37 3.75 1.37 0.00 -0.59 -4.77 105.19 108.19 4rub n GLY 126 Ca 0.01 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 4rub n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4rub s PHE 127 N -2.92 2.77 0.14 1.61 0.40 -0.94 -4.92 117.98 114.11 4rub s PHE 127 Ca 0.41 0.81 -0.17 0.00 -0.60 0.00 0.00 56.93 57.38 4rub s PHE 127 Cb 0.34 -4.05 -0.01 0.00 0.51 0.00 0.00 43.02 39.81 4rub s PHE 127 CO 0.06 -3.51 1.74 0.87 0.70 0.00 0.00 175.22 175.07 4rub h LYS 128 N 4.81 0.51 0.00 0.44 1.57 -1.95 -2.20 116.57 119.75 4rub h LYS 128 Ca -0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 4rub h LYS 128 Cb 1.22 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.43 4rub h LYS 128 CO 0.79 0.43 0.25 0.00 -0.57 0.00 0.00 179.45 180.35 4rub n ALA 129 N -2.25 0.64 -2.62 3.86 0.00 -1.26 -4.60 120.51 114.28 4rub n ALA 129 Ca -0.00 0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.29 4rub n ALA 129 Cb 0.08 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 4rub n ALA 129 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 4rub s LEU 130 N -3.62 3.10 -0.02 0.00 1.43 -0.83 -2.01 118.68 116.73 4rub s LEU 130 Ca -0.01 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 4rub s LEU 130 Cb 0.03 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 4rub s LEU 130 CO 0.08 0.00 0.05 -2.11 0.23 0.00 0.00 176.35 174.61 4rub n ARG 131 N -0.86 1.81 -3.74 1.70 1.85 -0.34 -4.77 116.66 112.32 4rub n ARG 131 Ca -0.06 -0.02 -0.13 0.00 -1.00 0.00 0.00 57.85 56.64 4rub n ARG 131 Cb 0.59 -1.09 -0.10 0.00 -1.05 0.00 0.00 32.46 30.81 4rub n ARG 131 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 4rub s ALA 132 N -2.18 -0.91 -0.01 2.89 0.00 -1.12 -5.07 121.76 115.35 4rub s ALA 132 Ca -0.02 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 4rub s ALA 132 Cb 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.74 4rub s ALA 132 CO 0.16 -0.21 0.05 -1.17 0.00 0.00 0.00 175.76 174.59 4rub s LEU 133 N -0.29 1.83 -0.13 0.00 2.96 -1.23 -2.65 118.68 119.18 4rub s LEU 133 Ca -0.04 -0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 4rub s LEU 133 Cb -0.03 0.24 0.05 0.00 0.50 0.00 0.00 46.19 46.94 4rub s LEU 133 CO 0.02 -0.11 0.32 -0.60 -1.32 0.00 0.00 176.35 174.66 4rub s ARG 134 N -0.38 0.30 -0.19 1.98 3.52 -1.15 -1.68 118.95 121.36 4rub s ARG 134 Ca -0.04 0.60 -0.15 0.00 -0.13 0.00 0.00 55.73 56.01 4rub s ARG 134 Cb -0.03 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.29 4rub s ARG 134 CO 0.00 -0.14 0.34 -1.17 -0.81 0.00 0.00 175.30 173.52 4rub s LEU 135 N 1.09 4.18 -0.21 -0.88 2.96 0.24 -1.15 118.68 124.90 4rub s LEU 135 Ca -0.08 0.47 0.12 0.00 -0.22 0.00 0.00 54.13 54.43 4rub s LEU 135 Cb -0.08 -2.43 -0.22 0.00 0.50 0.00 0.00 46.19 43.96 4rub s LEU 135 CO -0.08 -0.00 -0.03 -0.62 -1.32 0.00 0.00 176.35 174.30 4rub n GLU 136 N 4.16 0.73 -3.51 1.98 -0.58 -0.89 -0.45 120.64 122.07 4rub n GLU 136 Ca -0.10 0.04 -0.11 0.00 -0.42 0.00 0.00 57.16 56.57 4rub n GLU 136 Cb 0.51 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 4rub n GLU 136 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 4rub s ASP 137 N -5.75 -0.45 -0.02 1.62 2.15 -1.23 -4.60 116.67 108.40 4rub s ASP 137 Ca -0.18 0.20 0.01 0.00 0.43 0.00 0.00 52.55 53.01 4rub s ASP 137 Cb 0.07 0.43 0.01 0.00 -0.30 0.00 0.00 42.92 43.13 4rub s ASP 137 CO 0.73 -0.62 -0.01 -0.76 -0.17 0.00 0.00 175.17 174.35 4rub s LEU 138 N -2.02 1.54 -0.37 -1.34 1.43 -1.26 -1.35 118.68 115.31 4rub s LEU 138 Ca 0.00 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 4rub s LEU 138 Cb -0.01 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.02 4rub s LEU 138 CO -0.04 -0.04 0.39 -0.60 0.23 0.00 0.00 176.35 176.29 4rub s ARG 139 N 0.53 3.38 -0.30 1.70 3.52 0.88 -4.94 118.95 123.71 4rub s ARG 139 Ca -0.05 -0.55 -0.18 0.00 -0.13 0.00 0.00 55.73 54.82 4rub s ARG 139 Cb -0.08 -3.87 -0.02 0.00 -1.56 0.00 0.00 34.95 29.42 4rub s ARG 139 CO -0.01 -0.66 0.53 0.42 -0.81 0.00 0.00 175.30 174.77 4rub s ILE 140 N 2.07 5.03 0.49 4.11 -1.09 -1.26 -2.55 121.20 128.00 4rub s ILE 140 Ca 0.12 0.68 -0.22 0.00 -2.23 0.00 0.00 60.65 59.00 4rub s ILE 140 Cb -0.17 -3.90 -0.07 0.00 -1.58 0.00 0.00 42.46 36.75 4rub s ILE 140 CO 0.12 -0.05 1.18 -2.16 -1.23 0.00 0.00 174.94 172.81 4rub s PRO 141 N 2.38 3.58 0.59 2.79 0.04 -1.26 -4.60 135.00 138.52 4rub s PRO 141 Ca 0.21 1.80 0.29 0.00 0.04 0.00 0.00 61.00 63.34 4rub s PRO 141 Cb -0.15 -2.30 1.57 0.00 0.04 0.00 0.00 34.50 33.66 4rub s PRO 141 CO 0.11 -0.70 2.01 -1.35 0.04 0.00 0.00 177.00 177.11 4rub h PRO 142 N 1.79 0.00 0.00 0.56 0.11 -1.84 0.74 132.00 133.36 4rub h PRO 142 Ca -0.50 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 4rub h PRO 142 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 4rub h PRO 142 CO 0.59 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 178.21 4rub h ALA 143 N 1.63 0.99 0.00 -0.75 0.00 -1.91 -2.14 119.26 117.08 4rub h ALA 143 Ca 0.14 -0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 4rub h ALA 143 Cb 0.79 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 4rub h ALA 143 CO -0.00 0.21 -2.31 0.98 0.00 0.00 0.00 179.25 178.13 4rub n TYR 144 N -3.28 0.00 -0.11 0.00 9.36 0.21 -4.32 117.16 119.03 4rub n TYR 144 Ca 0.01 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.16 4rub n TYR 144 Cb 0.43 -0.94 0.01 0.00 -0.63 0.00 0.00 39.34 38.22 4rub n TYR 144 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 4rub h VAL 145 N 0.00 0.91 0.00 2.97 2.07 -0.09 -1.15 116.25 120.96 4rub h VAL 145 Ca -0.52 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.90 4rub h VAL 145 Cb 2.13 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 4rub h VAL 145 CO 0.01 0.05 0.08 0.29 0.02 0.00 0.00 177.57 178.02 4rub n LYS 146 N -5.00 0.02 -0.08 1.57 4.76 -0.82 -1.06 118.16 117.54 4rub n LYS 146 Ca 0.01 0.45 0.11 0.00 -2.87 0.00 0.00 58.31 56.02 4rub n LYS 146 Cb 0.12 -1.63 0.36 0.00 -1.84 0.00 0.00 35.03 32.04 4rub n LYS 146 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 4rub n THR 147 N -1.53 0.21 -4.18 -0.18 -2.24 -0.43 -4.92 114.28 101.01 4rub n THR 147 Ca -0.00 -0.40 -0.26 0.00 -2.27 0.00 0.00 64.05 61.11 4rub n THR 147 Cb 0.08 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 4rub n THR 147 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 4rub s PHE 148 N -1.79 2.91 -0.06 4.78 0.40 -0.22 -3.39 117.98 120.62 4rub s PHE 148 Ca 0.34 -0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 56.38 4rub s PHE 148 Cb 0.19 -1.40 -0.31 0.00 0.51 0.00 0.00 43.02 42.02 4rub s PHE 148 CO 0.28 0.52 0.77 0.37 0.70 0.00 0.00 175.22 177.87 4rub h GLN 149 N 2.55 0.33 0.00 0.44 4.15 -1.87 -3.50 115.11 117.20 4rub h GLN 149 Ca -0.47 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 58.39 4rub h GLN 149 Cb 1.21 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.11 4rub h GLN 149 CO 0.59 1.27 0.00 0.41 -1.93 0.00 0.00 178.83 179.17 4rub n GLY 150 N 1.72 -1.49 3.76 2.39 0.00 -1.13 -4.87 105.19 105.57 4rub n GLY 150 Ca -0.19 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 4rub n GLY 150 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 4rub s PRO 151 N 0.00 3.70 0.24 1.61 0.02 -1.26 -4.19 135.00 135.12 4rub s PRO 151 Ca 0.00 2.21 -0.05 0.00 0.02 0.00 0.00 61.00 63.17 4rub s PRO 151 Cb 0.00 -2.59 0.42 0.00 0.02 0.00 0.00 34.50 32.35 4rub s PRO 151 CO 0.00 -0.73 1.74 -1.35 -0.33 0.00 0.00 177.00 176.33 4rub h PRO 152 N 2.26 0.44 0.00 5.54 0.11 -1.83 -3.41 132.00 135.12 4rub h PRO 152 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 4rub h PRO 152 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 4rub h PRO 152 CO 0.61 0.29 -0.30 0.72 -0.21 0.00 0.00 178.00 179.11 4rub n HIS 153 N -4.99 0.00 -0.08 0.65 8.25 -1.26 -4.82 115.22 112.97 4rub n HIS 153 Ca 0.13 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.60 4rub n HIS 153 Cb 0.38 0.18 -0.00 0.00 1.12 0.00 0.00 29.99 31.66 4rub n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4rub n GLY 154 N 2.02 -2.74 0.22 -1.41 0.00 -1.26 -4.31 105.19 97.71 4rub n GLY 154 Ca 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 4rub n GLY 154 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 4rub n ILE 155 N -1.90 -0.31 0.31 -0.61 5.41 -0.53 -1.98 119.36 119.75 4rub n ILE 155 Ca -0.00 1.33 -0.12 0.00 1.00 0.00 0.00 62.75 64.95 4rub n ILE 155 Cb 0.03 -1.74 -0.06 0.00 -0.71 0.00 0.00 39.64 37.16 4rub n ILE 155 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 4rub h GLN 156 N 0.00 -0.78 -0.80 0.38 4.15 -1.87 -2.58 115.11 113.61 4rub h GLN 156 Ca 0.18 0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.75 4rub h GLN 156 Cb 0.32 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 4rub h GLN 156 CO -0.56 -0.52 0.52 0.28 -1.93 0.00 0.00 178.83 176.63 4rub h VAL 157 N -0.93 0.96 0.11 2.39 2.07 -1.65 0.25 116.25 119.45 4rub h VAL 157 Ca -0.08 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 4rub h VAL 157 Cb 0.62 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 4rub h VAL 157 CO 0.14 0.14 -0.06 -0.08 0.02 0.00 0.00 177.57 177.72 4rub h GLU 158 N 0.75 -0.15 -0.62 1.57 4.81 -1.42 0.16 114.58 119.68 4rub h GLU 158 Ca 0.37 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 4rub h GLU 158 Cb 0.43 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 4rub h GLU 158 CO -0.14 -0.10 0.37 0.00 -0.73 0.00 0.00 179.01 178.41 4rub h ARG 159 N -0.16 0.84 -0.95 1.92 3.08 -0.99 -2.29 114.38 115.83 4rub h ARG 159 Ca -0.01 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.03 4rub h ARG 159 Cb 0.13 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 4rub h ARG 159 CO 0.01 0.60 0.61 -0.44 -1.07 0.00 0.00 179.97 179.68 4rub h ASP 160 N 0.84 0.95 0.09 7.04 3.32 -0.67 0.46 116.42 128.45 4rub h ASP 160 Ca 0.22 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 4rub h ASP 160 Cb -0.02 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.35 4rub h ASP 160 CO -0.04 0.60 -0.04 0.11 -1.72 0.00 0.00 179.24 178.14 4rub h LYS 161 N 1.08 -0.12 0.00 3.56 1.79 -0.28 -3.27 116.57 119.33 4rub h LYS 161 Ca 0.42 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 4rub h LYS 161 Cb 0.21 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 4rub h LYS 161 CO -0.19 0.41 0.00 1.28 -1.08 0.00 0.00 179.45 179.88 4rub n LEU 162 N -4.85 0.00 -3.40 2.94 4.77 -0.90 -4.93 117.00 110.63 4rub n LEU 162 Ca -0.08 0.46 -0.18 0.00 -0.03 0.00 0.00 56.01 56.18 4rub n LEU 162 Cb 0.29 -0.46 0.09 0.00 -2.33 0.00 0.00 43.42 41.01 4rub n LEU 162 CO 0.28 -0.11 0.13 -3.20 -1.33 0.00 0.00 177.39 173.16 4rub n ASN 163 N -1.46 -2.71 -3.86 -1.43 4.05 0.14 -4.67 115.26 105.33 4rub n ASN 163 Ca 0.06 -0.59 -0.24 0.00 0.45 0.00 0.00 54.58 54.25 4rub n ASN 163 Cb 0.24 -5.02 -0.17 0.00 1.23 0.00 0.00 39.78 36.07 4rub n ASN 163 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 4rub s LYS 164 N -5.48 1.11 0.11 1.20 1.02 0.13 -5.03 119.74 112.81 4rub s LYS 164 Ca 0.09 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.02 4rub s LYS 164 Cb -0.04 -1.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 4rub s LYS 164 CO 0.71 -0.24 -0.13 0.71 -0.92 0.00 0.00 175.35 175.48 4rub s TYR 165 N 1.67 1.30 -1.05 3.18 2.02 -1.26 -4.68 117.35 118.52 4rub s TYR 165 Ca 0.02 -0.57 -0.06 0.00 -0.37 0.00 0.00 57.07 56.09 4rub s TYR 165 Cb -0.13 -0.69 -0.07 0.00 -0.40 0.00 0.00 41.96 40.67 4rub s TYR 165 CO -0.06 0.10 0.92 0.41 -1.57 0.00 0.00 175.55 175.35 4rub n GLY 166 N 0.61 -1.17 0.00 0.71 0.00 -1.26 -5.03 105.19 99.06 4rub n GLY 166 Ca -0.16 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.45 4rub n GLY 166 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 4rub n ARG 167 N -3.23 0.00 -1.68 1.61 1.85 -1.26 -5.05 116.66 108.90 4rub n ARG 167 Ca -0.07 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.40 4rub n ARG 167 Cb 0.62 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 32.08 4rub n ARG 167 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 4rub n PRO 168 N -1.20 1.31 -3.06 2.89 -0.02 -1.12 -4.75 135.00 129.05 4rub n PRO 168 Ca 0.00 0.49 -0.36 0.00 -2.02 0.00 0.00 63.50 61.61 4rub n PRO 168 Cb 0.00 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.05 4rub n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 4rub s LEU 169 N -2.70 4.31 -0.09 2.45 2.01 -0.07 -4.89 118.68 119.70 4rub s LEU 169 Ca 0.73 1.45 0.00 0.00 0.01 0.00 0.00 54.13 56.33 4rub s LEU 169 Cb -0.43 -3.69 -0.03 0.00 0.01 0.00 0.00 46.19 42.05 4rub s LEU 169 CO 0.48 -0.01 -0.08 -0.76 1.01 0.00 0.00 176.35 176.99 4rub s LEU 170 N -2.10 3.06 0.27 1.79 1.43 -1.26 0.10 118.68 121.98 4rub s LEU 170 Ca 0.45 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 4rub s LEU 170 Cb -0.16 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 4rub s LEU 170 CO 0.21 0.30 0.25 -0.83 0.23 0.00 0.00 176.35 176.51 4rub s GLY 171 N -0.45 1.71 -0.20 -3.19 0.00 -0.65 -0.22 107.32 104.33 4rub s GLY 171 Ca 0.06 -1.76 -0.19 0.00 0.00 0.00 0.00 44.72 42.84 4rub s GLY 171 CO 0.02 -1.32 0.54 0.00 0.00 0.00 0.00 173.10 172.35 4rub s THR 173 N 0.29 5.29 0.39 0.00 2.01 -1.26 -1.49 115.64 120.87 4rub s THR 173 Ca -0.00 0.32 -0.27 0.00 0.31 0.00 0.00 61.69 62.05 4rub s THR 173 Cb -0.04 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 4rub s THR 173 CO 0.01 0.27 1.35 -0.63 -0.69 0.00 0.00 174.62 174.93 4rub s ILE 174 N 1.50 2.48 0.16 1.82 -1.09 -1.13 -4.36 121.20 120.58 4rub s ILE 174 Ca 0.10 0.45 0.04 0.00 -2.23 0.00 0.00 60.65 59.02 4rub s ILE 174 Cb -0.15 -3.27 -0.05 0.00 -1.58 0.00 0.00 42.46 37.41 4rub s ILE 174 CO 0.08 0.08 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.24 4rub s LYS 175 N -2.14 1.11 0.97 2.79 -0.14 -1.26 -4.62 119.74 116.46 4rub s LYS 175 Ca 0.55 -1.49 -0.11 0.00 -1.36 0.00 0.00 55.97 53.55 4rub s LYS 175 Cb -0.41 -0.64 0.14 0.00 -1.68 0.00 0.00 37.83 35.25 4rub s LYS 175 CO 0.53 0.05 0.92 -0.35 -0.76 0.00 0.00 175.35 175.74 4rub n PRO 176 N -0.24 -0.79 0.10 -1.68 -0.04 -1.26 -5.07 135.00 126.03 4rub n PRO 176 Ca -0.09 -0.18 -0.07 0.00 -0.04 0.00 0.00 63.50 63.12 4rub n PRO 176 Cb 0.61 -2.21 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 4rub n PRO 176 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 4rub h LYS 177 N -1.96 -0.38 -6.54 0.54 1.57 -2.00 -3.44 116.57 104.37 4rub h LYS 177 Ca -0.46 0.03 -0.64 0.00 -1.87 0.00 0.00 60.65 57.70 4rub h LYS 177 Cb 1.29 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 33.52 4rub h LYS 177 CO 0.41 -0.25 -0.76 -0.51 -0.57 0.00 0.00 179.45 177.77 4rub s LEU 178 N -6.90 2.82 0.00 2.94 1.02 -1.26 -4.73 118.68 112.58 4rub s LEU 178 Ca -0.07 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.46 4rub s LEU 178 Cb 0.02 -1.56 0.00 0.00 0.02 0.00 0.00 46.19 44.67 4rub s LEU 178 CO 0.25 0.13 0.00 0.61 0.02 0.00 0.00 176.35 177.35 4rub n GLY 179 N 0.26 0.73 3.91 -3.19 0.00 -1.26 -5.12 105.19 100.52 4rub n GLY 179 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 4rub n GLY 179 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 4rub s LEU 180 N 0.00 4.35 0.49 0.99 2.96 -1.26 -5.06 118.68 121.14 4rub s LEU 180 Ca 0.00 0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.19 4rub s LEU 180 Cb 0.00 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 4rub s LEU 180 CO 0.00 0.17 0.82 -0.94 -1.32 0.00 0.00 176.35 175.09 4rub s SER 181 N -2.33 6.31 0.21 3.68 1.04 -1.26 -4.58 113.70 116.76 4rub s SER 181 Ca 0.34 1.04 -0.19 0.00 0.48 0.00 0.00 55.95 57.62 4rub s SER 181 Cb -0.13 -2.30 0.19 0.00 0.10 0.00 0.00 66.02 63.88 4rub s SER 181 CO 0.25 -0.59 1.56 0.00 0.98 0.00 0.00 173.24 175.44 4rub h ALA 182 N 0.34 0.05 -0.57 5.32 0.00 -1.92 0.20 119.26 122.68 4rub h ALA 182 Ca -0.47 0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 4rub h ALA 182 Cb 1.20 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 4rub h ALA 182 CO 0.62 -0.67 0.31 -0.22 0.00 0.00 0.00 179.25 179.30 4rub h LYS 183 N -0.05 0.59 -0.17 0.00 3.64 -1.93 -1.73 116.57 116.93 4rub h LYS 183 Ca 0.30 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 4rub h LYS 183 Cb 0.58 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 4rub h LYS 183 CO -0.90 0.39 -0.42 -0.91 -2.27 0.00 0.00 179.45 175.34 4rub h ASN 184 N 0.61 0.41 -0.68 4.20 2.35 -1.59 -2.44 115.58 118.44 4rub h ASN 184 Ca 0.24 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 4rub h ASN 184 Cb 0.11 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 4rub h ASN 184 CO -0.14 0.79 0.27 0.22 -1.65 0.00 0.00 177.43 176.91 4rub h TYR 185 N 0.32 1.03 -0.25 1.19 3.20 0.23 -1.60 116.97 121.10 4rub h TYR 185 Ca 0.03 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 4rub h TYR 185 Cb 0.88 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 4rub h TYR 185 CO 0.02 0.81 0.04 0.78 -1.64 0.00 0.00 178.16 178.18 4rub h GLY 186 N 0.96 0.44 0.50 1.82 0.00 -1.11 -1.84 103.07 103.85 4rub h GLY 186 Ca 0.22 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.28 4rub h GLY 186 CO -0.02 0.27 -0.34 -0.09 0.00 0.00 0.00 176.54 176.36 4rub h ARG 187 N 0.22 -0.60 -0.71 4.80 2.43 -1.28 -0.68 114.38 118.56 4rub h ARG 187 Ca 0.08 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.40 4rub h ARG 187 Cb 0.32 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.92 4rub h ARG 187 CO 0.00 -0.40 0.30 0.00 -1.51 0.00 0.00 179.97 178.36 4rub h ALA 188 N -0.06 0.97 0.91 2.80 0.00 -1.25 -2.01 119.26 120.62 4rub h ALA 188 Ca 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 4rub h ALA 188 Cb 0.61 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.45 4rub h ALA 188 CO -0.14 -0.15 -0.44 0.28 0.00 0.00 0.00 179.25 178.80 4rub h VAL 189 N 0.49 0.04 -0.75 0.00 2.07 -0.67 -0.41 116.25 117.03 4rub h VAL 189 Ca 0.37 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.96 4rub h VAL 189 Cb 0.48 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.21 4rub h VAL 189 CO -0.34 0.00 0.29 0.22 0.02 0.00 0.00 177.57 177.76 4rub h TYR 190 N -1.29 0.49 0.17 1.57 3.20 -1.01 -0.36 116.97 119.74 4rub h TYR 190 Ca -0.12 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 4rub h TYR 190 Cb 0.94 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.11 4rub h TYR 190 CO -0.00 0.05 -0.08 0.93 -1.64 0.00 0.00 178.16 177.42 4rub h GLU 191 N 0.43 -0.22 0.94 1.82 4.39 -1.31 -1.55 114.58 119.08 4rub h GLU 191 Ca 0.41 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.08 4rub h GLU 191 Cb 0.62 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.33 4rub h GLU 191 CO -0.41 0.03 -0.48 0.00 -1.16 0.00 0.00 179.01 176.99 4rub h LEU 193 N -1.30 0.79 -2.22 0.00 4.07 -1.09 -2.42 115.31 113.15 4rub h LEU 193 Ca -0.13 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 4rub h LEU 193 Cb 1.01 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.64 4rub h LEU 193 CO 0.19 0.40 -0.05 0.08 -1.08 0.00 0.00 178.44 177.98 4rub h ARG 194 N 0.84 0.00 -0.12 1.13 0.11 -1.29 -2.26 114.38 112.79 4rub h ARG 194 Ca 0.48 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.42 4rub h ARG 194 Cb 0.63 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.70 4rub h ARG 194 CO -0.25 0.05 -0.56 0.78 0.10 0.00 0.00 179.97 180.09 4rub h GLY 195 N 0.75 0.41 0.00 0.08 0.00 -1.47 -3.46 103.07 99.38 4rub h GLY 195 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 4rub h GLY 195 CO 0.01 0.42 0.00 0.61 0.00 0.00 0.00 176.54 177.58 4rub n GLY 196 N 0.20 -0.43 3.79 4.60 0.00 -0.85 -3.09 105.19 109.41 4rub n GLY 196 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 4rub n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4rub s LEU 197 N 0.00 4.02 -0.04 0.99 1.02 -1.25 -4.80 118.68 118.62 4rub s LEU 197 Ca 0.00 2.03 0.02 0.00 0.02 0.00 0.00 54.13 56.20 4rub s LEU 197 Cb 0.00 -4.32 -0.25 0.00 0.02 0.00 0.00 46.19 41.64 4rub s LEU 197 CO 0.00 -0.64 0.67 0.44 0.02 0.00 0.00 176.35 176.83 4rub h ASP 198 N 2.12 0.23 -5.11 2.29 3.32 -0.93 -3.44 116.42 114.90 4rub h ASP 198 Ca -0.49 -0.42 -0.14 0.00 0.02 0.00 0.00 57.03 56.00 4rub h ASP 198 Cb 1.22 -0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.52 4rub h ASP 198 CO 0.61 1.37 -0.67 -0.36 -1.72 0.00 0.00 179.24 178.47 4rub s PHE 199 N -2.60 0.38 0.31 4.55 0.08 -0.94 -1.86 117.98 117.90 4rub s PHE 199 Ca -0.11 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.19 4rub s PHE 199 Cb 0.07 -0.28 -0.06 0.00 -0.57 0.00 0.00 43.02 42.19 4rub s PHE 199 CO 0.82 -0.30 0.07 0.95 -0.10 0.00 0.00 175.22 176.67 4rub s THR 200 N -2.73 0.97 0.20 0.64 -4.23 -0.98 -2.43 115.64 107.07 4rub s THR 200 Ca -0.04 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.30 4rub s THR 200 Cb -0.01 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.14 4rub s THR 200 CO -0.06 0.00 0.52 -1.59 -0.54 0.00 0.00 174.62 172.96 4rub s LYS 201 N -3.92 1.39 0.50 3.99 -2.85 -0.55 -1.12 119.74 117.18 4rub s LYS 201 Ca 0.36 -0.89 -0.19 0.00 -1.00 0.00 0.00 55.97 54.25 4rub s LYS 201 Cb 0.08 0.52 -0.08 0.00 -2.06 0.00 0.00 37.83 36.29 4rub s LYS 201 CO 0.15 -0.59 1.02 -0.51 0.10 0.00 0.00 175.35 175.52 4rub s ASP 202 N -2.88 6.36 0.27 0.03 1.11 -1.05 -2.82 116.67 117.69 4rub s ASP 202 Ca 0.10 1.84 -0.28 0.00 0.18 0.00 0.00 52.55 54.38 4rub s ASP 202 Cb -0.01 -2.55 -0.09 0.00 1.07 0.00 0.00 42.92 41.34 4rub s ASP 202 CO -0.02 -0.77 0.95 -0.62 1.18 0.00 0.00 175.17 175.89 4rub s ASP 203 N -2.27 7.51 0.59 0.27 -1.08 -1.26 -4.87 116.67 115.56 4rub s ASP 203 Ca 0.65 1.93 0.30 0.00 -0.52 0.00 0.00 52.55 54.91 4rub s ASP 203 Cb -0.15 -2.60 1.34 0.00 -1.46 0.00 0.00 42.92 40.05 4rub s ASP 203 CO 0.23 0.05 1.70 1.05 0.52 0.00 0.00 175.17 178.72 4rub h GLU 204 N 3.76 0.00 -0.16 4.34 9.09 -1.96 0.34 114.58 129.99 4rub h GLU 204 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 4rub h GLU 204 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 4rub h GLU 204 CO 0.67 0.00 0.00 0.27 0.05 0.00 0.00 179.01 180.00 4rub n ASN 205 N -3.63 2.59 -4.53 3.06 6.94 -1.26 -4.80 115.26 113.61 4rub n ASN 205 Ca 0.16 -1.85 -0.43 0.00 -0.02 0.00 0.00 54.58 52.45 4rub n ASN 205 Cb 1.04 -0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 38.33 4rub n ASN 205 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 4rub s VAL 206 N -1.81 4.35 0.00 3.53 1.01 0.12 -4.84 120.40 122.76 4rub s VAL 206 Ca 0.34 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.72 4rub s VAL 206 Cb 0.20 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 32.03 4rub s VAL 206 CO 0.30 -1.12 0.00 0.59 0.00 0.00 0.00 175.10 174.88 4rub n ASN 207 N 7.56 0.00 -3.48 3.32 5.03 -1.26 -4.73 115.26 121.69 4rub n ASN 207 Ca 0.03 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.30 4rub n ASN 207 Cb 0.48 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.11 4rub n ASN 207 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 4rub s SER 208 N 1.00 1.28 0.20 6.41 0.15 -1.26 -4.02 113.70 117.45 4rub s SER 208 Ca 0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 4rub s SER 208 Cb 0.00 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 4rub s SER 208 CO 0.00 -0.32 0.09 -1.10 1.20 0.00 0.00 173.24 173.10 4rub s GLN 209 N 2.34 1.19 0.14 5.44 1.11 0.64 -4.88 119.66 125.64 4rub s GLN 209 Ca 0.07 -1.62 -0.24 0.00 0.01 0.00 0.00 55.36 53.59 4rub s GLN 209 Cb -0.16 0.03 -0.00 0.00 -1.01 0.00 0.00 33.01 31.87 4rub s GLN 209 CO -0.12 -0.30 1.63 -1.35 0.01 0.00 0.00 175.29 175.16 4rub h PRO 210 N 2.61 -0.28 -0.07 2.91 0.11 -2.01 0.24 132.00 135.51 4rub h PRO 210 Ca -0.37 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.78 4rub h PRO 210 Cb 1.23 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 4rub h PRO 210 CO 0.58 -0.19 0.08 0.27 -0.21 0.00 0.00 178.00 178.53 4rub h PHE 211 N -0.29 0.00 -1.35 0.65 -0.00 -1.97 -3.42 116.94 110.56 4rub h PHE 211 Ca 0.11 0.00 0.13 0.00 -0.00 0.00 0.00 57.97 58.21 4rub h PHE 211 Cb 0.46 0.00 -0.25 0.00 -0.00 0.00 0.00 35.95 36.16 4rub h PHE 211 CO -0.36 0.00 0.25 1.41 -0.00 0.00 0.00 178.31 179.61 4rub s MET 212 N -4.62 0.37 -0.06 6.09 -2.45 0.85 -4.52 119.30 114.96 4rub s MET 212 Ca -0.05 0.79 -0.10 0.00 -1.25 0.00 0.00 55.69 55.08 4rub s MET 212 Cb 0.15 0.32 -0.05 0.00 1.25 0.00 0.00 34.83 36.50 4rub s MET 212 CO 0.54 -0.10 0.25 1.03 1.05 0.00 0.00 175.02 177.79 4rub s ARG 213 N 2.00 3.63 0.17 4.11 0.52 -1.20 -0.26 118.95 127.93 4rub s ARG 213 Ca -0.06 0.08 -0.23 0.00 -0.52 0.00 0.00 55.73 55.01 4rub s ARG 213 Cb -0.06 -3.19 0.07 0.00 0.52 0.00 0.00 34.95 32.30 4rub s ARG 213 CO -0.17 0.74 1.59 0.11 0.02 0.00 0.00 175.30 177.59 4rub h TRP 214 N 4.80 -0.95 0.00 -0.53 5.08 -1.90 -0.87 115.95 121.58 4rub h TRP 214 Ca -0.53 0.06 -0.02 0.00 1.08 0.00 0.00 58.89 59.48 4rub h TRP 214 Cb 1.22 0.49 -0.00 0.00 -3.00 0.00 0.00 29.16 27.87 4rub h TRP 214 CO 0.73 -0.39 -0.11 -0.09 -1.28 0.00 0.00 178.44 177.31 4rub h ARG 215 N -0.23 0.00 0.09 0.12 2.43 -1.96 -0.40 114.38 114.44 4rub h ARG 215 Ca 0.19 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.09 4rub h ARG 215 Cb 0.55 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 4rub h ARG 215 CO -0.59 0.11 -1.16 -0.44 -1.51 0.00 0.00 179.97 176.37 4rub h ASP 216 N 0.00 0.61 -0.11 -3.80 3.32 -1.65 -2.83 116.42 111.97 4rub h ASP 216 Ca -0.00 -0.57 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 4rub h ASP 216 Cb 0.24 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 4rub h ASP 216 CO 0.01 1.41 0.01 -0.09 -1.72 0.00 0.00 179.24 178.87 4rub h ARG 217 N 0.18 0.19 -0.90 3.56 2.43 -0.58 -2.07 114.38 117.19 4rub h ARG 217 Ca -0.14 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 4rub h ARG 217 Cb 1.84 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 31.33 4rub h ARG 217 CO 0.21 0.40 0.56 0.74 -1.51 0.00 0.00 179.97 180.36 4rub h PHE 218 N -0.05 1.17 -0.05 2.20 -1.00 -1.10 -0.43 116.94 117.68 4rub h PHE 218 Ca 0.03 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 4rub h PHE 218 Cb 0.30 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.47 4rub h PHE 218 CO 0.02 0.76 -0.02 1.25 -1.61 0.00 0.00 178.31 178.72 4rub h LEU 219 N 1.23 0.09 -0.12 1.54 6.46 -1.42 -2.52 115.31 120.57 4rub h LEU 219 Ca 0.33 -0.39 -0.16 0.00 -0.12 0.00 0.00 57.88 57.54 4rub h LEU 219 Cb -0.08 -0.03 0.01 0.00 -0.73 0.00 0.00 40.66 39.83 4rub h LEU 219 CO -0.06 0.46 -0.54 -0.26 -0.62 0.00 0.00 178.44 177.42 4rub h PHE 220 N -0.28 0.78 -0.79 1.25 0.04 -1.13 -2.71 116.94 114.10 4rub h PHE 220 Ca 0.01 -0.34 0.13 0.00 2.80 0.00 0.00 57.97 60.57 4rub h PHE 220 Cb 0.43 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.40 4rub h PHE 220 CO 0.06 1.12 0.52 0.00 -0.60 0.00 0.00 178.31 179.41 4rub h ALA 222 N 1.62 0.27 -0.42 0.00 0.00 -1.34 0.33 119.26 119.73 4rub h ALA 222 Ca 0.38 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.23 4rub h ALA 222 Cb 0.68 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 4rub h ALA 222 CO -0.15 -0.11 0.08 1.49 0.00 0.00 0.00 179.25 180.57 4rub h GLU 223 N 0.17 0.21 0.01 0.00 4.81 -0.95 -0.06 114.58 118.78 4rub h GLU 223 Ca 0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 4rub h GLU 223 Cb 0.21 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.54 4rub h GLU 223 CO -0.00 0.14 -0.00 0.00 -0.73 0.00 0.00 179.01 178.41 4rub h ALA 224 N 1.31 -0.01 -0.16 2.92 0.00 -1.17 -2.31 119.26 119.85 4rub h ALA 224 Ca 0.20 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 4rub h ALA 224 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 4rub h ALA 224 CO -0.26 -0.38 -0.34 1.37 0.00 0.00 0.00 179.25 179.64 4rub h LEU 225 N -0.26 0.32 -1.11 0.00 8.10 -0.05 -0.53 115.31 121.79 4rub h LEU 225 Ca -0.00 -0.12 -0.04 0.00 0.11 0.00 0.00 57.88 57.83 4rub h LEU 225 Cb 0.25 -0.09 -0.03 0.00 -0.44 0.00 0.00 40.66 40.36 4rub h LEU 225 CO 0.00 0.65 0.17 1.88 -4.11 0.00 0.00 178.44 177.02 4rub h TYR 226 N 0.27 0.81 -0.07 0.17 0.05 -0.91 0.74 116.97 118.04 4rub h TYR 226 Ca 0.03 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 4rub h TYR 226 Cb 0.73 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 4rub h TYR 226 CO 0.02 0.66 0.02 -0.22 -1.05 0.00 0.00 178.16 177.58 4rub h LYS 227 N 0.78 0.11 -0.52 4.88 3.64 -0.53 -2.85 116.57 122.09 4rub h LYS 227 Ca 0.18 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 4rub h LYS 227 Cb 0.23 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 4rub h LYS 227 CO -0.01 0.30 0.04 0.00 -2.27 0.00 0.00 179.45 177.51 4rub h ALA 228 N 0.80 0.69 -0.31 5.00 0.00 -1.29 -2.30 119.26 121.85 4rub h ALA 228 Ca 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 4rub h ALA 228 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 4rub h ALA 228 CO 0.00 0.47 0.16 0.37 0.00 0.00 0.00 179.25 180.25 4rub h GLN 229 N 0.76 0.44 -0.79 0.00 4.15 -0.83 -1.04 115.11 117.80 4rub h GLN 229 Ca 0.15 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 4rub h GLN 229 Cb 0.47 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 4rub h GLN 229 CO 0.02 0.39 0.32 0.00 -1.93 0.00 0.00 178.83 177.64 4rub h ALA 230 N 1.02 1.02 0.78 3.38 0.00 -1.40 -0.45 119.26 123.62 4rub h ALA 230 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 4rub h ALA 230 Cb 0.09 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.58 4rub h ALA 230 CO -0.02 0.64 -0.38 1.49 0.00 0.00 0.00 179.25 180.99 4rub h GLU 231 N 1.14 -1.01 0.01 0.00 4.81 -1.19 -3.33 114.58 115.00 4rub h GLU 231 Ca 0.26 0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.37 4rub h GLU 231 Cb 0.20 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 4rub h GLU 231 CO -0.02 -0.66 -0.88 1.79 -0.73 0.00 0.00 179.01 178.51 4rub h THR 232 N -1.18 1.52 0.00 0.32 1.35 -1.16 -3.48 112.91 110.29 4rub h THR 232 Ca -0.11 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 4rub h THR 232 Cb 0.82 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 4rub h THR 232 CO 0.18 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 4rub n GLY 233 N 0.90 0.70 3.16 5.82 0.00 -0.18 -5.06 105.19 110.53 4rub n GLY 233 Ca -0.03 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 4rub n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4rub s GLU 234 N -0.72 1.87 0.13 1.61 2.02 -1.23 -5.07 118.70 117.31 4rub s GLU 234 Ca 0.00 -0.65 -0.33 0.00 0.02 0.00 0.00 54.97 54.01 4rub s GLU 234 Cb 0.00 -1.63 -0.13 0.00 0.10 0.00 0.00 34.13 32.48 4rub s GLU 234 CO 0.00 0.27 1.69 -0.89 0.02 0.00 0.00 175.26 176.35 4rub n ILE 235 N 3.09 0.14 -4.12 -1.63 5.41 -1.26 -4.55 119.36 116.43 4rub n ILE 235 Ca -0.18 -0.02 -0.24 0.00 1.00 0.00 0.00 62.75 63.31 4rub n ILE 235 Cb 0.53 -1.76 -0.07 0.00 -0.71 0.00 0.00 39.64 37.63 4rub n ILE 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 4rub s LYS 236 N 1.67 2.27 -0.05 0.38 -0.14 -1.26 -4.95 119.74 117.66 4rub s LYS 236 Ca 0.80 -1.71 -0.29 0.00 -1.36 0.00 0.00 55.97 53.42 4rub s LYS 236 Cb -0.62 -2.06 0.06 0.00 -1.68 0.00 0.00 37.83 33.54 4rub s LYS 236 CO 0.38 -0.00 0.63 0.20 -0.76 0.00 0.00 175.35 175.81 4rub s GLY 237 N -3.87 -0.53 -0.15 -3.33 0.00 -0.78 -4.84 107.32 93.83 4rub s GLY 237 Ca 0.39 1.22 -0.00 0.00 0.00 0.00 0.00 44.72 46.33 4rub s GLY 237 CO 0.22 0.88 -0.06 -1.58 0.00 0.00 0.00 173.10 172.56 4rub s HIS 238 N -1.16 1.66 -0.19 1.90 2.46 -1.26 -2.32 115.29 116.38 4rub s HIS 238 Ca -0.11 -0.99 -0.28 0.00 0.47 0.00 0.00 55.06 54.14 4rub s HIS 238 Cb -0.01 -1.30 -0.05 0.00 -0.13 0.00 0.00 32.58 31.09 4rub s HIS 238 CO 0.09 -0.59 2.11 0.71 -2.47 0.00 0.00 174.74 174.59 4rub s TYR 239 N 1.65 1.29 -0.33 3.88 2.02 -0.27 -4.68 117.35 120.91 4rub s TYR 239 Ca 0.02 0.41 -0.18 0.00 -0.37 0.00 0.00 57.07 56.95 4rub s TYR 239 Cb -0.14 -4.00 -0.01 0.00 -0.40 0.00 0.00 41.96 37.41 4rub s TYR 239 CO -0.08 -4.12 0.53 -0.51 -1.57 0.00 0.00 175.55 169.79 4rub s LEU 240 N 7.49 4.27 -0.21 -1.29 1.43 -1.24 -2.53 118.68 126.60 4rub s LEU 240 Ca 0.95 0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.87 4rub s LEU 240 Cb -0.33 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 4rub s LEU 240 CO 0.36 -0.45 1.85 0.21 0.23 0.00 0.00 176.35 178.54 4rub s ASN 241 N 1.72 6.05 0.00 2.29 3.04 -1.26 -1.68 114.94 125.11 4rub s ASN 241 Ca 0.20 1.76 0.26 0.00 0.04 0.00 0.00 52.86 55.12 4rub s ASN 241 Cb -0.15 -2.53 0.74 0.00 -1.54 0.00 0.00 41.25 37.77 4rub s ASN 241 CO 0.13 -1.50 1.56 0.00 -3.04 0.00 0.00 177.10 174.24 4rub n ALA 242 N 9.52 2.88 -1.66 1.71 0.00 -0.83 -4.91 120.51 127.22 4rub n ALA 242 Ca 0.23 -0.47 -0.47 0.00 0.00 0.00 0.00 53.44 52.72 4rub n ALA 242 Cb 0.45 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 4rub n ALA 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 4rub n THR 243 N -0.10 0.09 -4.13 0.00 -1.04 -1.26 -4.52 114.28 103.32 4rub n THR 243 Ca 0.15 -0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.98 4rub n THR 243 Cb 0.38 -1.49 -0.05 0.00 -1.82 0.00 0.00 70.33 67.36 4rub n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 4rub s ALA 244 N 1.37 1.01 -0.43 2.41 0.00 -1.26 -4.85 121.76 120.02 4rub s ALA 244 Ca 0.82 -1.64 0.23 0.00 0.00 0.00 0.00 51.96 51.37 4rub s ALA 244 Cb -0.73 1.23 0.29 0.00 0.00 0.00 0.00 23.12 23.91 4rub s ALA 244 CO 0.42 -0.76 1.43 0.78 0.00 0.00 0.00 175.76 177.63 4rub h GLY 245 N 2.13 0.00 -3.26 0.00 0.00 -1.96 -3.46 103.07 96.51 4rub h GLY 245 Ca -0.28 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.85 4rub h GLY 245 CO 0.38 0.00 -0.70 -0.51 0.00 0.00 0.00 176.54 175.72 4rub s THR 246 N -3.24 0.58 0.19 4.70 -4.23 -1.26 -5.04 115.64 107.35 4rub s THR 246 Ca 0.05 -1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 4rub s THR 246 Cb 0.08 -1.53 0.11 0.00 1.34 0.00 0.00 72.50 72.50 4rub s THR 246 CO 0.70 -0.84 1.70 0.00 -0.54 0.00 0.00 174.62 175.64 4rub h GLU 248 N 1.06 1.08 0.42 0.00 3.07 -1.99 0.28 114.58 118.50 4rub h GLU 248 Ca 0.22 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 4rub h GLU 248 Cb 0.40 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 4rub h GLU 248 CO 0.01 0.72 -0.20 0.93 -1.40 0.00 0.00 179.01 179.06 4rub h GLU 249 N 1.12 -0.54 -0.51 2.33 4.39 -1.88 -2.43 114.58 117.06 4rub h GLU 249 Ca 0.41 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.24 4rub h GLU 249 Cb 0.14 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 28.81 4rub h GLU 249 CO -0.16 -0.24 -0.28 1.98 -1.16 0.00 0.00 179.01 179.15 4rub h MET 250 N -0.88 -0.15 -0.70 2.33 4.05 -0.64 -0.91 114.93 118.03 4rub h MET 250 Ca -0.06 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 4rub h MET 250 Cb 0.56 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.36 4rub h MET 250 CO 0.09 -0.10 0.46 0.82 0.23 0.00 0.00 176.91 178.42 4rub h ILE 251 N -0.15 1.16 -0.72 1.77 1.08 -0.39 -2.57 117.51 117.68 4rub h ILE 251 Ca 0.23 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 4rub h ILE 251 Cb 0.52 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 4rub h ILE 251 CO -0.60 0.17 0.40 0.50 -0.69 0.00 0.00 178.15 177.93 4rub h LYS 252 N 0.92 0.99 -0.02 2.37 3.64 -0.66 0.36 116.57 124.17 4rub h LYS 252 Ca 0.26 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 4rub h LYS 252 Cb -0.07 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 4rub h LYS 252 CO -0.06 0.72 -0.21 0.00 -2.27 0.00 0.00 179.45 177.63 4rub h ARG 253 N 1.00 0.18 -0.42 1.90 3.08 -1.29 -3.00 114.38 115.84 4rub h ARG 253 Ca 0.26 -0.17 0.07 0.00 0.07 0.00 0.00 59.98 60.21 4rub h ARG 253 Cb 0.01 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 4rub h ARG 253 CO -0.04 0.85 0.04 0.00 -1.07 0.00 0.00 179.97 179.75 4rub h ALA 254 N 0.33 0.42 -0.72 0.04 0.00 -1.03 0.23 119.26 118.54 4rub h ALA 254 Ca -0.02 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.09 4rub h ALA 254 Cb 0.91 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 4rub h ALA 254 CO 0.04 -0.36 0.48 0.28 0.00 0.00 0.00 179.25 179.69 4rub h VAL 255 N 0.15 0.92 -0.08 0.00 2.07 -0.31 -1.23 116.25 117.78 4rub h VAL 255 Ca 0.21 -0.21 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 4rub h VAL 255 Cb 0.28 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 4rub h VAL 255 CO -0.31 0.11 -0.80 0.15 0.02 0.00 0.00 177.57 176.74 4rub h PHE 256 N 0.60 0.72 -0.64 1.57 3.57 -0.83 -0.95 116.94 120.98 4rub h PHE 256 Ca 0.33 -0.34 0.04 0.00 3.53 0.00 0.00 57.97 61.54 4rub h PHE 256 Cb 0.49 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 4rub h PHE 256 CO -0.00 1.13 0.37 0.00 -2.23 0.00 0.00 178.31 177.58 4rub h ALA 257 N 0.77 0.85 -0.63 2.41 0.00 -0.66 0.10 119.26 122.10 4rub h ALA 257 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.91 4rub h ALA 257 Cb 1.41 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 4rub h ALA 257 CO 0.15 0.08 0.36 -0.09 0.00 0.00 0.00 179.25 179.74 4rub h ARG 258 N 0.71 0.65 -0.80 0.00 1.12 -1.00 -0.75 114.38 114.31 4rub h ARG 258 Ca 0.28 -0.04 0.06 0.00 -1.11 0.00 0.00 59.98 59.16 4rub h ARG 258 Cb 0.11 -0.15 -0.06 0.00 -0.01 0.00 0.00 29.97 29.87 4rub h ARG 258 CO -0.15 0.43 0.49 1.49 -3.11 0.00 0.00 179.97 179.12 4rub h GLU 259 N 0.67 0.87 0.00 0.20 4.81 0.26 -1.99 114.58 119.41 4rub h GLU 259 Ca 0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 4rub h GLU 259 Cb 0.13 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.32 4rub h GLU 259 CO -0.16 0.58 0.00 1.28 -0.73 0.00 0.00 179.01 179.98 4rub n LEU 260 N -4.66 0.47 0.00 1.64 4.77 0.21 -4.93 117.00 114.50 4rub n LEU 260 Ca 0.11 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 4rub n LEU 260 Cb 0.16 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 4rub n LEU 260 CO 0.31 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 4rub n GLY 261 N 0.79 0.91 3.68 -0.72 0.00 -0.45 -5.02 105.19 104.39 4rub n GLY 261 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 4rub n GLY 261 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 4rub n VAL 262 N -2.14 2.69 0.45 1.61 0.24 -1.24 -5.00 118.33 114.95 4rub n VAL 262 Ca 0.00 -0.29 0.11 0.00 -2.04 0.00 0.00 64.34 62.12 4rub n VAL 262 Cb 0.00 -1.22 0.04 0.00 -1.47 0.00 0.00 33.84 31.19 4rub n VAL 262 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 4rub n PRO 263 N -2.71 0.37 -3.86 7.34 -0.04 -1.26 -4.82 135.00 130.03 4rub n PRO 263 Ca 0.14 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.51 4rub n PRO 263 Cb 0.50 -1.65 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 4rub n PRO 263 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 4rub s ILE 264 N -3.24 0.07 0.37 0.52 2.07 -1.26 -2.57 121.20 117.16 4rub s ILE 264 Ca 0.03 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 4rub s ILE 264 Cb 0.13 -0.43 -0.00 0.00 0.13 0.00 0.00 42.46 42.29 4rub s ILE 264 CO 0.79 -0.33 0.00 1.33 -1.91 0.00 0.00 174.94 174.82 4rub n VAL 265 N 1.59 0.00 -3.65 4.00 0.24 -0.49 -3.61 118.33 116.41 4rub n VAL 265 Ca -0.22 -1.73 -0.11 0.00 -2.04 0.00 0.00 64.34 60.25 4rub n VAL 265 Cb 0.56 0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 33.23 4rub n VAL 265 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 4rub s MET 266 N -3.32 1.03 -0.24 7.34 1.75 -0.67 -1.73 119.30 123.47 4rub s MET 266 Ca 0.00 -0.67 -0.18 0.00 -1.25 0.00 0.00 55.69 53.59 4rub s MET 266 Cb 0.00 0.45 0.07 0.00 2.84 0.00 0.00 34.83 38.19 4rub s MET 266 CO 0.00 -0.39 0.60 -1.58 -0.65 0.00 0.00 175.02 173.00 4rub s HIS 267 N -3.62 -0.78 -0.66 4.11 5.04 -0.57 -1.96 115.29 116.85 4rub s HIS 267 Ca 0.02 1.74 -0.24 0.00 -1.54 0.00 0.00 55.06 55.04 4rub s HIS 267 Cb 0.02 0.36 0.06 0.00 0.04 0.00 0.00 32.58 33.05 4rub s HIS 267 CO -0.11 -0.39 1.02 -0.51 -2.34 0.00 0.00 174.74 172.42 4rub s ASP 268 N 0.87 6.20 0.41 9.88 1.01 -1.26 -1.74 116.67 132.05 4rub s ASP 268 Ca -0.04 -0.79 0.11 0.00 0.71 0.00 0.00 52.55 52.54 4rub s ASP 268 Cb -0.05 -2.45 0.87 0.00 1.01 0.00 0.00 42.92 42.30 4rub s ASP 268 CO -0.07 -1.48 1.95 0.10 0.21 0.00 0.00 175.17 175.88 4rub h TYR 269 N 9.61 0.16 0.20 4.23 -0.00 -1.77 -1.28 116.97 128.13 4rub h TYR 269 Ca -0.28 -0.02 -0.30 0.00 -0.00 0.00 0.00 58.73 58.13 4rub h TYR 269 Cb 1.07 -0.05 0.02 0.00 -0.00 0.00 0.00 36.73 37.77 4rub h TYR 269 CO 0.99 0.29 -1.40 -0.07 -0.00 0.00 0.00 178.16 177.97 4rub h LEU 270 N 0.15 0.65 -0.39 0.10 3.38 -1.77 -0.73 115.31 116.71 4rub h LEU 270 Ca 0.03 -0.92 -0.16 0.00 0.09 0.00 0.00 57.88 56.91 4rub h LEU 270 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 4rub h LEU 270 CO 0.02 1.65 -0.79 0.71 0.09 0.00 0.00 178.44 180.13 4rub h THR 271 N -0.03 1.54 0.63 0.22 1.35 -1.71 -3.27 112.91 111.64 4rub h THR 271 Ca -0.26 -2.72 -0.03 0.00 -0.55 0.00 0.00 66.41 62.85 4rub h THR 271 Cb 1.99 2.48 0.01 0.00 -1.73 0.00 0.00 68.15 70.89 4rub h THR 271 CO 0.20 0.77 -0.30 1.23 -0.25 0.00 0.00 175.52 177.17 4rub h GLY 272 N 2.45 -0.88 0.00 5.82 0.00 -1.33 -3.50 103.07 105.62 4rub h GLY 272 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.65 4rub h GLY 272 CO 0.10 -0.32 0.00 0.61 0.00 0.00 0.00 176.54 176.93 4rub n GLY 273 N -0.59 3.31 0.38 4.60 0.00 -0.28 -4.70 105.19 107.90 4rub n GLY 273 Ca -0.11 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.11 4rub n GLY 273 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 4rub h PHE 274 N 0.00 1.24 0.14 1.61 0.04 -1.89 0.39 116.94 118.48 4rub h PHE 274 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.81 4rub h PHE 274 Cb 0.00 -0.42 -0.02 0.00 2.20 0.00 0.00 35.95 37.71 4rub h PHE 274 CO 0.00 0.77 -0.16 1.15 -0.60 0.00 0.00 178.31 179.47 4rub h THR 275 N 1.33 0.64 -0.36 -1.55 2.02 -1.94 0.14 112.91 113.19 4rub h THR 275 Ca 0.37 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.45 4rub h THR 275 Cb -0.12 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 4rub h THR 275 CO -0.09 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.63 4rub h ALA 276 N 0.48 1.02 -0.09 6.16 0.00 -1.76 -3.06 119.26 121.99 4rub h ALA 276 Ca 0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 4rub h ALA 276 Cb 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 4rub h ALA 276 CO -0.05 0.59 0.04 -0.97 0.00 0.00 0.00 179.25 178.86 4rub h ASN 277 N 0.60 0.12 -0.98 0.00 -1.24 0.48 -1.95 115.58 112.61 4rub h ASN 277 Ca 0.10 -0.13 0.10 0.00 0.71 0.00 0.00 56.30 57.08 4rub h ASN 277 Cb 0.63 -0.03 -0.08 0.00 0.73 0.00 0.00 38.32 39.58 4rub h ASN 277 CO 0.04 0.22 0.61 0.74 -1.29 0.00 0.00 177.43 177.76 4rub h THR 278 N 0.02 0.97 -0.44 -3.57 2.02 -0.72 0.10 112.91 111.30 4rub h THR 278 Ca 0.03 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 4rub h THR 278 Cb 0.13 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 4rub h THR 278 CO -0.00 0.19 0.18 0.28 0.37 0.00 0.00 175.52 176.54 4rub h SER 279 N 1.03 0.60 -0.67 4.18 0.02 -1.39 -1.69 113.55 115.62 4rub h SER 279 Ca 0.46 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 61.19 4rub h SER 279 Cb 0.36 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 4rub h SER 279 CO -0.23 0.59 0.16 0.25 -1.14 0.00 0.00 176.83 176.46 4rub h LEU 280 N 0.57 1.02 -0.77 5.07 5.85 -0.39 -1.98 115.31 124.68 4rub h LEU 280 Ca 0.15 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.64 4rub h LEU 280 Cb 0.17 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 4rub h LEU 280 CO -0.01 0.99 0.49 0.00 -0.34 0.00 0.00 178.44 179.57 4rub h ALA 281 N 1.07 0.98 -0.00 1.25 0.00 -0.71 0.69 119.26 122.53 4rub h ALA 281 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 4rub h ALA 281 Cb 0.37 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 4rub h ALA 281 CO 0.00 0.41 -0.00 0.45 0.00 0.00 0.00 179.25 180.11 4rub h HIS 282 N 1.04 -0.00 -0.48 0.00 3.86 -0.62 0.24 115.15 119.19 4rub h HIS 282 Ca 0.28 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.51 4rub h HIS 282 Cb -0.09 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 4rub h HIS 282 CO -0.02 -0.00 0.30 -0.92 0.86 0.00 0.00 177.93 178.15 4rub h TYR 283 N -0.00 0.56 -0.70 2.45 3.20 -1.10 -0.72 116.97 120.66 4rub h TYR 283 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 4rub h TYR 283 Cb 0.00 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 4rub h TYR 283 CO -0.08 0.33 0.40 0.00 -1.64 0.00 0.00 178.16 177.17 4rub h ARG 285 N 0.96 0.06 0.00 0.00 9.65 0.58 -0.20 114.38 125.43 4rub h ARG 285 Ca 0.25 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 4rub h ARG 285 Cb 0.01 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 4rub h ARG 285 CO -0.04 0.04 0.00 -0.44 2.80 0.00 0.00 179.97 182.33 4rub h ASP 286 N 0.05 0.00 -0.03 -3.80 3.32 -1.03 -3.22 116.42 111.71 4rub h ASP 286 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 4rub h ASP 286 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 4rub h ASP 286 CO -0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 4rub n ASN 287 N -2.40 2.13 -3.86 6.45 3.02 -0.61 -5.04 115.26 114.96 4rub n ASN 287 Ca 0.02 -2.09 -0.26 0.00 -0.03 0.00 0.00 54.58 52.22 4rub n ASN 287 Cb 0.26 -0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.39 4rub n ASN 287 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 4rub n GLY 288 N -0.48 -0.35 3.88 7.41 0.00 -0.13 -5.01 105.19 110.51 4rub n GLY 288 Ca 0.02 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 4rub n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4rub s LEU 289 N -6.96 4.34 0.31 0.99 1.43 -1.03 -5.00 118.68 112.77 4rub s LEU 289 Ca 0.25 0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.58 4rub s LEU 289 Cb -0.13 -2.31 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 4rub s LEU 289 CO 0.84 0.34 0.76 -0.76 0.23 0.00 0.00 176.35 177.76 4rub s LEU 290 N -1.45 4.11 -0.12 1.79 1.43 -1.06 -4.55 118.68 118.83 4rub s LEU 290 Ca 0.21 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.69 4rub s LEU 290 Cb -0.12 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.07 4rub s LEU 290 CO 0.11 -0.17 -0.21 -0.22 0.23 0.00 0.00 176.35 176.09 4rub s LEU 291 N -2.79 2.21 -0.26 1.79 2.96 -1.26 -1.40 118.68 119.93 4rub s LEU 291 Ca 0.53 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.81 4rub s LEU 291 Cb -0.11 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 4rub s LEU 291 CO 0.18 0.13 0.13 -2.28 -1.32 0.00 0.00 176.35 173.19 4rub s HIS 292 N 0.52 3.16 -0.08 5.38 5.65 -0.71 -0.66 115.29 128.55 4rub s HIS 292 Ca -0.13 -0.15 -0.16 0.00 0.25 0.00 0.00 55.06 54.87 4rub s HIS 292 Cb -0.17 -2.31 -0.05 0.00 -1.18 0.00 0.00 32.58 28.88 4rub s HIS 292 CO 0.05 -0.25 0.41 0.42 -0.65 0.00 0.00 174.74 174.72 4rub s ILE 293 N 1.66 5.15 -0.13 0.89 -1.09 0.38 -1.52 121.20 126.54 4rub s ILE 293 Ca 0.07 0.83 0.02 0.00 -2.23 0.00 0.00 60.65 59.33 4rub s ILE 293 Cb -0.15 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 36.98 4rub s ILE 293 CO 0.07 0.44 -0.18 -2.28 -1.23 0.00 0.00 174.94 171.76 4rub s HIS 294 N -0.08 2.70 -0.38 3.97 5.65 -0.71 -3.75 115.29 122.70 4rub s HIS 294 Ca 0.23 -0.99 0.06 0.00 0.25 0.00 0.00 55.06 54.61 4rub s HIS 294 Cb -0.15 -1.81 0.50 0.00 -1.18 0.00 0.00 32.58 29.93 4rub s HIS 294 CO 0.10 -0.41 1.51 2.89 -0.65 0.00 0.00 174.74 178.17 4rub n ARG 295 N 3.76 2.60 -1.42 2.88 1.85 -1.26 -2.08 116.66 123.00 4rub n ARG 295 Ca -0.19 -2.08 -0.46 0.00 -1.00 0.00 0.00 57.85 54.12 4rub n ARG 295 Cb 0.52 -1.89 -0.02 0.00 -1.05 0.00 0.00 32.46 30.02 4rub n ARG 295 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 4rub n ALA 296 N -0.18 -2.41 0.00 2.89 0.00 -1.26 -1.01 120.51 118.54 4rub n ALA 296 Ca 0.31 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.12 4rub n ALA 296 Cb 1.13 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.92 4rub n ALA 296 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 4rub n MET 297 N 0.98 0.00 -0.20 0.00 0.00 -1.26 -4.10 117.12 112.54 4rub n MET 297 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.85 4rub n MET 297 Cb 0.29 -0.62 0.11 0.00 0.00 0.00 0.00 33.22 33.00 4rub n MET 297 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 175.97 177.09 4rub h HIS 298 N 0.00 0.26 0.00 1.12 -0.00 -1.50 -0.03 115.15 115.00 4rub h HIS 298 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 4rub h HIS 298 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 4rub h HIS 298 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 177.93 177.94 4rub n ALA 299 N -2.55 1.11 0.10 6.11 0.00 -1.26 -0.96 120.51 123.06 4rub n ALA 299 Ca 0.09 0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.65 4rub n ALA 299 Cb 0.30 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 18.62 4rub n ALA 299 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 4rub h VAL 300 N 0.00 1.38 0.01 0.00 2.07 -1.40 -3.15 116.25 115.16 4rub h VAL 300 Ca 0.00 -1.92 -0.35 0.00 0.82 0.00 0.00 66.70 65.25 4rub h VAL 300 Cb 0.04 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 4rub h VAL 300 CO 0.00 0.56 -2.20 -0.38 0.02 0.00 0.00 177.57 175.58 4rub n ILE 301 N -3.89 1.51 0.06 4.57 5.41 -0.13 -4.64 119.36 122.25 4rub n ILE 301 Ca -0.02 -0.76 0.11 0.00 1.00 0.00 0.00 62.75 63.08 4rub n ILE 301 Cb 0.59 -0.95 0.23 0.00 -0.71 0.00 0.00 39.64 38.80 4rub n ILE 301 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 4rub n ASP 302 N -3.01 3.48 0.04 4.38 5.68 -0.13 -1.22 116.55 125.77 4rub n ASP 302 Ca -0.32 -1.97 -0.02 0.00 -0.50 0.00 0.00 54.79 51.98 4rub n ASP 302 Cb 1.09 -0.30 -0.01 0.00 -1.14 0.00 0.00 41.12 40.75 4rub n ASP 302 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 4rub h ARG 303 N 4.04 -0.14 -6.59 0.11 2.43 -1.80 -3.43 114.38 109.01 4rub h ARG 303 Ca 0.00 0.01 -0.56 0.00 -0.81 0.00 0.00 59.98 58.62 4rub h ARG 303 Cb 0.94 0.03 0.06 0.00 -0.42 0.00 0.00 29.97 30.58 4rub h ARG 303 CO 0.00 -0.10 0.85 1.04 -1.51 0.00 0.00 179.97 180.25 4rub n GLN 304 N -3.24 2.38 0.06 0.20 1.13 -1.26 -3.76 117.38 112.88 4rub n GLN 304 Ca -0.02 0.86 0.10 0.00 -1.94 0.00 0.00 57.00 56.00 4rub n GLN 304 Cb 0.06 -2.64 0.42 0.00 0.11 0.00 0.00 30.24 28.20 4rub n GLN 304 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 4rub n LYS 305 N 3.32 0.10 -0.01 -1.09 4.81 -1.26 -3.61 118.16 120.42 4rub n LYS 305 Ca 0.15 0.27 0.07 0.00 -0.87 0.00 0.00 58.31 57.94 4rub n LYS 305 Cb 0.32 -1.66 -0.10 0.00 0.02 0.00 0.00 35.03 33.60 4rub n LYS 305 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 4rub n ASN 306 N -1.84 1.48 -3.73 3.14 6.94 -1.26 -4.99 115.26 115.00 4rub n ASN 306 Ca 0.04 -0.19 -0.12 0.00 -0.02 0.00 0.00 54.58 54.29 4rub n ASN 306 Cb 0.24 1.51 -0.12 0.00 -2.36 0.00 0.00 39.78 39.05 4rub n ASN 306 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 4rub s HIS 307 N -2.84 -0.41 -1.03 -2.53 5.04 -1.24 -3.47 115.29 108.80 4rub s HIS 307 Ca -0.03 0.95 0.00 0.00 -1.54 0.00 0.00 55.06 54.44 4rub s HIS 307 Cb 0.09 0.14 0.00 0.00 0.04 0.00 0.00 32.58 32.85 4rub s HIS 307 CO 0.59 -0.24 0.00 0.41 -2.34 0.00 0.00 174.74 173.16 4rub n GLY 308 N 3.70 0.50 3.44 1.59 0.00 -0.68 -4.40 105.19 109.35 4rub n GLY 308 Ca -0.20 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 4rub n GLY 308 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4rub s ILE 309 N -0.72 2.63 0.19 -0.61 1.01 -0.36 0.79 121.20 124.12 4rub s ILE 309 Ca 0.00 -1.43 -0.14 0.00 0.00 0.00 0.00 60.65 59.09 4rub s ILE 309 Cb 0.00 -2.14 -0.07 0.00 0.01 0.00 0.00 42.46 40.26 4rub s ILE 309 CO 0.00 0.22 0.58 -2.28 0.00 0.00 0.00 174.94 173.45 4rub s HIS 310 N -1.01 3.55 0.33 3.97 5.65 0.40 -3.55 115.29 124.62 4rub s HIS 310 Ca 0.15 1.05 0.09 0.00 0.25 0.00 0.00 55.06 56.60 4rub s HIS 310 Cb -0.10 -2.38 0.82 0.00 -1.18 0.00 0.00 32.58 29.74 4rub s HIS 310 CO 0.07 0.36 1.79 0.35 -0.65 0.00 0.00 174.74 176.66 4rub h PHE 311 N 3.19 0.95 -0.79 3.88 3.57 -1.91 0.45 116.94 126.28 4rub h PHE 311 Ca -0.48 0.03 0.20 0.00 3.53 0.00 0.00 57.97 61.25 4rub h PHE 311 Cb 1.19 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 4rub h PHE 311 CO 0.64 0.22 0.55 0.07 -2.23 0.00 0.00 178.31 177.56 4rub h ARG 312 N 0.69 0.20 0.00 1.11 0.11 -1.93 2.77 114.38 117.32 4rub h ARG 312 Ca 0.56 -0.01 -0.22 0.00 0.10 0.00 0.00 59.98 60.40 4rub h ARG 312 Cb 0.96 -0.04 0.02 0.00 1.11 0.00 0.00 29.97 32.02 4rub h ARG 312 CO -0.33 0.13 -0.87 0.28 0.10 0.00 0.00 179.97 179.28 4rub h VAL 313 N 0.20 1.34 -0.36 0.08 2.07 -0.36 -2.19 116.25 117.04 4rub h VAL 313 Ca 0.39 -2.18 0.02 0.00 0.82 0.00 0.00 66.70 65.75 4rub h VAL 313 Cb 1.23 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 4rub h VAL 313 CO -0.08 0.66 0.19 -0.07 0.02 0.00 0.00 177.57 178.29 4rub h LEU 314 N 0.20 0.30 -0.87 2.57 4.07 -0.33 -1.21 115.31 120.04 4rub h LEU 314 Ca -0.11 0.01 0.10 0.00 0.08 0.00 0.00 57.88 57.96 4rub h LEU 314 Cb 1.55 -0.05 -0.08 0.00 1.08 0.00 0.00 40.66 43.16 4rub h LEU 314 CO 0.17 0.22 0.51 0.00 -1.08 0.00 0.00 178.44 178.26 4rub h ALA 315 N 1.17 1.25 -0.12 1.53 0.00 0.48 -2.38 119.26 121.19 4rub h ALA 315 Ca 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 4rub h ALA 315 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 4rub h ALA 315 CO -0.08 0.12 0.06 0.87 0.00 0.00 0.00 179.25 180.22 4rub h LYS 316 N 0.83 0.17 -0.81 0.00 1.57 -0.95 -2.66 116.57 114.72 4rub h LYS 316 Ca 0.42 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.32 4rub h LYS 316 Cb 0.40 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.59 4rub h LYS 316 CO -0.25 0.23 0.40 0.00 -0.57 0.00 0.00 179.45 179.25 4rub h ALA 317 N 0.93 1.20 0.08 3.86 0.00 -0.76 -2.20 119.26 122.37 4rub h ALA 317 Ca 0.04 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 4rub h ALA 317 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 4rub h ALA 317 CO -0.01 -0.11 -0.04 1.25 0.00 0.00 0.00 179.25 180.34 4rub h LEU 318 N 0.58 -0.10 -1.53 0.00 5.85 -1.42 -0.97 115.31 117.73 4rub h LEU 318 Ca 0.44 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.69 4rub h LEU 318 Cb 0.61 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.67 4rub h LEU 318 CO -0.36 0.46 0.29 -0.09 -0.34 0.00 0.00 178.44 178.40 4rub h ARG 319 N -0.71 0.00 0.02 1.25 9.65 -1.05 0.73 114.38 124.27 4rub h ARG 319 Ca -0.01 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.62 4rub h ARG 319 Cb 0.56 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 4rub h ARG 319 CO 0.02 0.00 -1.33 0.52 2.80 0.00 0.00 179.97 181.98 4rub h MET 320 N 0.00 0.04 0.25 0.20 2.86 -1.23 -3.36 114.93 113.68 4rub h MET 320 Ca 0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 4rub h MET 320 Cb 0.58 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.27 4rub h MET 320 CO 0.00 1.03 -0.12 1.03 1.06 0.00 0.00 176.91 179.91 4rub h SER 321 N -0.86 -0.28 0.00 1.22 0.87 0.55 -3.01 113.55 112.04 4rub h SER 321 Ca -0.35 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 4rub h SER 321 Cb 1.39 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 4rub h SER 321 CO -0.17 -0.17 0.00 0.61 -0.53 0.00 0.00 176.83 176.57 4rub n GLY 322 N -1.14 3.78 3.64 5.77 0.00 0.23 -4.45 105.19 113.01 4rub n GLY 322 Ca -0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 4rub n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 4rub s GLY 323 N 0.00 0.14 -0.19 -0.02 0.00 -1.26 -4.81 107.32 101.18 4rub s GLY 323 Ca 0.00 3.01 0.16 0.00 0.00 0.00 0.00 44.72 47.89 4rub s GLY 323 CO 0.00 1.49 0.05 1.22 0.00 0.00 0.00 173.10 175.86 4rub n ASP 324 N 1.10 0.50 -4.23 1.64 8.00 0.17 -4.28 116.55 119.45 4rub n ASP 324 Ca -0.06 -0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.21 4rub n ASP 324 Cb 0.58 0.87 -0.13 0.00 -0.02 0.00 0.00 41.12 42.43 4rub n ASP 324 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 4rub s HIS 325 N -2.45 1.55 -0.05 1.24 3.76 -0.90 -2.04 115.29 116.40 4rub s HIS 325 Ca -0.11 -0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 54.31 4rub s HIS 325 Cb 0.06 -0.88 0.02 0.00 1.11 0.00 0.00 32.58 32.89 4rub s HIS 325 CO 0.75 0.13 0.19 -1.50 -0.85 0.00 0.00 174.74 173.46 4rub s ILE 326 N -1.10 0.02 0.02 0.60 2.07 -1.13 -0.47 121.20 121.21 4rub s ILE 326 Ca 0.03 -0.18 -0.30 0.00 -1.41 0.00 0.00 60.65 58.79 4rub s ILE 326 Cb -0.10 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 4rub s ILE 326 CO 0.03 -0.10 1.03 -1.00 -1.91 0.00 0.00 174.94 172.99 4rub s HIS 327 N -0.30 3.61 -0.32 3.50 3.76 -1.25 -0.65 115.29 123.64 4rub s HIS 327 Ca -0.04 1.61 0.07 0.00 -0.15 0.00 0.00 55.06 56.55 4rub s HIS 327 Cb -0.03 -3.19 -0.07 0.00 1.11 0.00 0.00 32.58 30.40 4rub s HIS 327 CO 0.01 -0.30 0.29 -1.13 -0.85 0.00 0.00 174.74 172.76 4rub n SER 328 N 3.84 0.34 0.00 1.40 3.41 -0.46 -4.76 113.62 117.39 4rub n SER 328 Ca 0.06 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 4rub n SER 328 Cb 0.50 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 4rub n SER 328 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4rub n GLY 329 N 1.17 1.16 0.00 5.00 0.00 -1.23 -4.97 105.19 106.31 4rub n GLY 329 Ca 0.01 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.95 4rub n GLY 329 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 4rub n THR 330 N 0.76 0.00 0.00 2.61 -2.24 -1.26 -4.34 114.28 109.81 4rub n THR 330 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 4rub n THR 330 Cb 0.00 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 4rub n THR 330 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 4rub n VAL 331 N -0.87 0.00 1.62 2.28 0.31 -1.26 -4.45 118.33 115.95 4rub n VAL 331 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 4rub n VAL 331 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 4rub n VAL 331 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 4rub n VAL 332 N 0.00 0.00 -2.61 2.52 0.31 -1.26 -4.67 118.33 112.63 4rub n VAL 332 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 4rub n VAL 332 Cb 0.00 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 4rub n VAL 332 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 4rub n GLY 333 N 0.32 5.84 0.31 2.92 0.00 -1.26 -4.48 105.19 108.82 4rub n GLY 333 Ca 0.01 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.63 4rub n GLY 333 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 4rub h LYS 334 N 0.00 0.00 -6.34 1.61 2.10 -1.54 -3.44 116.57 108.95 4rub h LYS 334 Ca 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 4rub h LYS 334 Cb 0.00 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.19 4rub h LYS 334 CO 0.00 0.00 -0.73 -0.51 -2.00 0.00 0.00 179.45 176.21 4rub s LEU 335 N -7.87 2.84 0.53 7.07 1.43 -1.26 -5.03 118.68 116.38 4rub s LEU 335 Ca -0.05 -0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 52.07 4rub s LEU 335 Cb 0.16 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.87 4rub s LEU 335 CO 0.57 0.06 1.16 1.21 0.23 0.00 0.00 176.35 179.58 4rub n GLU 336 N -0.35 1.40 0.00 1.70 2.13 -1.26 -4.66 120.64 119.60 4rub n GLU 336 Ca -0.08 0.52 0.00 0.00 0.66 0.00 0.00 57.16 58.25 4rub n GLU 336 Cb 0.58 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.96 4rub n GLU 336 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 4rub n GLY 337 N 1.01 2.54 3.70 8.31 0.00 -1.26 -4.87 105.19 114.63 4rub n GLY 337 Ca 0.11 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 4rub n GLY 337 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 4rub s GLU 338 N 0.00 2.96 0.25 1.61 2.56 -1.26 -4.19 118.70 120.63 4rub s GLU 338 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 54.97 54.43 4rub s GLU 338 Cb 0.00 -2.79 0.38 0.00 2.00 0.00 0.00 34.13 33.72 4rub s GLU 338 CO 0.00 0.68 1.44 -2.13 -0.56 0.00 0.00 175.26 174.69 4rub n ARG 339 N 1.85 -0.11 0.01 4.30 0.63 -1.26 -0.59 116.66 121.48 4rub n ARG 339 Ca -0.17 1.44 -0.19 0.00 -0.92 0.00 0.00 57.85 58.01 4rub n ARG 339 Cb 0.53 -2.14 -0.09 0.00 0.45 0.00 0.00 32.46 31.22 4rub n ARG 339 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 4rub h ASP 340 N 0.00 0.93 -0.34 6.15 3.32 -1.95 0.60 116.42 125.12 4rub h ASP 340 Ca 0.42 -0.68 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 4rub h ASP 340 Cb 0.65 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 4rub h ASP 340 CO -0.94 1.48 0.13 0.40 -1.72 0.00 0.00 179.24 178.58 4rub h ILE 341 N 0.47 1.19 0.02 0.35 1.08 -1.70 -0.91 117.51 118.02 4rub h ILE 341 Ca -0.09 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 4rub h ILE 341 Cb 1.55 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 4rub h ILE 341 CO 0.18 0.21 -0.01 0.74 -0.69 0.00 0.00 178.15 178.59 4rub h THR 342 N 0.40 0.98 -0.53 -0.27 2.02 -0.77 0.37 112.91 115.11 4rub h THR 342 Ca 0.11 -0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.41 4rub h THR 342 Cb 0.21 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 4rub h THR 342 CO -0.01 0.00 0.37 -0.07 0.37 0.00 0.00 175.52 176.18 4rub h LEU 343 N -0.03 0.16 0.95 2.58 3.38 -0.63 -0.12 115.31 121.62 4rub h LEU 343 Ca -0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 4rub h LEU 343 Cb 0.02 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.75 4rub h LEU 343 CO 0.00 0.09 -0.46 1.23 0.09 0.00 0.00 178.44 179.40 4rub h GLY 344 N 0.18 -1.34 2.00 0.83 0.00 0.36 -2.61 103.07 102.49 4rub h GLY 344 Ca 0.25 0.50 -0.11 0.00 0.00 0.00 0.00 47.33 47.97 4rub h GLY 344 CO -0.04 -0.49 -0.53 0.27 0.00 0.00 0.00 176.54 175.75 4rub h PHE 345 N -1.31 0.00 -0.75 5.60 -5.15 -0.41 -2.56 116.94 112.36 4rub h PHE 345 Ca -0.13 0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.71 4rub h PHE 345 Cb 0.98 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.10 4rub h PHE 345 CO -0.00 0.53 0.49 0.28 -2.00 0.00 0.00 178.31 177.61 4rub h VAL 346 N 0.00 1.00 -0.12 0.88 2.07 -1.04 0.21 116.25 119.25 4rub h VAL 346 Ca -0.01 -0.26 -0.24 0.00 0.82 0.00 0.00 66.70 67.02 4rub h VAL 346 Cb 1.10 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 4rub h VAL 346 CO 0.07 0.14 -0.85 0.44 0.02 0.00 0.00 177.57 177.39 4rub h ASP 347 N 0.75 0.94 -0.71 0.57 3.32 -1.08 -1.81 116.42 118.40 4rub h ASP 347 Ca 0.33 -0.65 0.13 0.00 0.02 0.00 0.00 57.03 56.86 4rub h ASP 347 Cb 0.31 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 4rub h ASP 347 CO -0.11 1.45 0.47 -0.07 -1.72 0.00 0.00 179.24 179.26 4rub h LEU 348 N 0.51 0.39 -0.05 1.55 3.38 -0.51 -1.76 115.31 118.82 4rub h LEU 348 Ca -0.07 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 4rub h LEU 348 Cb 1.48 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.18 4rub h LEU 348 CO 0.17 0.22 -0.47 -0.07 0.09 0.00 0.00 178.44 178.38 4rub h LEU 349 N 0.43 0.50 0.03 1.67 4.07 -0.36 -3.42 115.31 118.22 4rub h LEU 349 Ca 0.34 -0.70 -0.39 0.00 0.08 0.00 0.00 57.88 57.22 4rub h LEU 349 Cb 0.73 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 42.27 4rub h LEU 349 CO -0.10 1.12 -2.26 0.54 -1.08 0.00 0.00 178.44 176.65 4rub n ARG 350 N -4.30 0.65 -1.45 1.13 1.74 -0.71 -1.86 116.66 111.86 4rub n ARG 350 Ca -0.09 0.25 -0.32 0.00 -0.77 0.00 0.00 57.85 56.92 4rub n ARG 350 Cb 0.59 -1.58 0.07 0.00 -1.02 0.00 0.00 32.46 30.53 4rub n ARG 350 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 4rub s ASP 351 N -6.91 4.80 0.08 0.55 1.01 -0.68 -4.33 116.67 111.20 4rub s ASP 351 Ca -0.33 1.85 0.02 0.00 0.71 0.00 0.00 52.55 54.80 4rub s ASP 351 Cb 0.10 -2.53 -0.24 0.00 1.01 0.00 0.00 42.92 41.25 4rub s ASP 351 CO 0.61 -1.84 1.15 -0.78 0.21 0.00 0.00 175.17 174.52 4rub h ASP 352 N -0.73 0.19 -3.60 0.27 3.58 -1.92 -3.45 116.42 110.76 4rub h ASP 352 Ca -0.44 -0.22 -0.24 0.00 0.42 0.00 0.00 57.03 56.54 4rub h ASP 352 Cb 1.23 -0.06 -0.30 0.00 1.72 0.00 0.00 39.33 41.92 4rub h ASP 352 CO 0.53 1.17 -0.65 0.12 -2.88 0.00 0.00 179.24 177.53 4rub s PHE 353 N -2.67 -0.07 -0.11 0.28 5.36 -1.26 0.21 117.98 119.72 4rub s PHE 353 Ca -0.02 0.25 -0.03 0.00 -0.96 0.00 0.00 56.93 56.16 4rub s PHE 353 Cb 0.08 -0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.73 4rub s PHE 353 CO 0.85 -0.09 0.07 0.08 -1.46 0.00 0.00 175.22 174.67 4rub s VAL 354 N 0.63 -0.02 0.25 3.12 1.01 0.34 -4.99 120.40 120.74 4rub s VAL 354 Ca -0.05 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 4rub s VAL 354 Cb -0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.80 4rub s VAL 354 CO -0.02 -0.04 1.24 -0.70 0.00 0.00 0.00 175.10 175.57 4rub s GLU 355 N 2.12 4.46 0.30 2.72 2.56 -1.26 0.10 118.70 129.71 4rub s GLU 355 Ca 0.03 2.00 -0.28 0.00 0.00 0.00 0.00 54.97 56.73 4rub s GLU 355 Cb -0.14 -3.17 -0.14 0.00 2.00 0.00 0.00 34.13 32.68 4rub s GLU 355 CO -0.06 -0.09 1.02 0.94 -0.56 0.00 0.00 175.26 176.51 4rub n GLN 356 N 1.77 1.40 -2.90 4.30 7.27 -1.26 -4.85 117.38 123.11 4rub n GLN 356 Ca 0.02 0.49 -0.02 0.00 0.07 0.00 0.00 57.00 57.56 4rub n GLN 356 Cb 0.43 -1.89 0.00 0.00 2.41 0.00 0.00 30.24 31.20 4rub n GLN 356 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 4rub s ASP 357 N -0.56 -1.43 0.52 1.69 2.15 0.10 -4.96 116.67 114.18 4rub s ASP 357 Ca 0.59 -1.37 0.20 0.00 0.43 0.00 0.00 52.55 52.39 4rub s ASP 357 Cb -0.68 1.86 1.06 0.00 -0.30 0.00 0.00 42.92 44.87 4rub s ASP 357 CO 0.60 -0.09 1.55 0.03 -0.17 0.00 0.00 175.17 177.09 4rub h ARG 358 N 5.64 0.00 0.72 4.34 3.08 -1.89 0.46 114.38 126.72 4rub h ARG 358 Ca 0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 4rub h ARG 358 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 4rub h ARG 358 CO 0.04 0.00 -0.40 0.66 -1.07 0.00 0.00 179.97 179.20 4rub h SER 359 N 0.00 -0.98 -0.02 7.04 4.64 -1.93 -2.73 113.55 119.57 4rub h SER 359 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 4rub h SER 359 Cb 0.78 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 4rub h SER 359 CO 0.00 -0.64 0.00 0.54 -0.87 0.00 0.00 176.83 175.86 4rub n ARG 360 N -4.94 1.07 -0.84 4.77 1.74 0.16 -4.85 116.66 113.77 4rub n ARG 360 Ca -0.13 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 4rub n ARG 360 Cb 0.42 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 4rub n ARG 360 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4rub n GLY 361 N 0.25 0.77 3.47 -0.13 0.00 -1.03 -4.42 105.19 104.11 4rub n GLY 361 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 4rub n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4rub s ILE 362 N -2.95 4.47 -0.59 -0.61 1.01 -1.12 -4.91 121.20 116.50 4rub s ILE 362 Ca 0.00 -0.17 0.25 0.00 0.00 0.00 0.00 60.65 60.73 4rub s ILE 362 Cb 0.00 -4.55 0.28 0.00 0.01 0.00 0.00 42.46 38.20 4rub s ILE 362 CO 0.00 -1.19 1.75 1.88 0.00 0.00 0.00 174.94 177.38 4rub h TYR 363 N 9.35 0.00 -3.62 3.97 -1.99 -1.92 0.29 116.97 123.05 4rub h TYR 363 Ca -0.28 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.34 4rub h TYR 363 Cb 1.08 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.63 4rub h TYR 363 CO 0.90 0.00 -0.44 -0.06 -0.00 0.00 0.00 178.16 178.56 4rub s PHE 364 N -3.21 0.09 0.16 4.88 0.08 -1.26 -4.92 117.98 113.80 4rub s PHE 364 Ca 0.08 -0.32 -0.30 0.00 0.12 0.00 0.00 56.93 56.51 4rub s PHE 364 Cb 0.11 -0.06 -0.07 0.00 -0.57 0.00 0.00 43.02 42.42 4rub s PHE 364 CO 0.53 -0.40 1.13 0.99 -0.10 0.00 0.00 175.22 177.37 4rub s THR 365 N -2.45 3.86 -0.16 0.64 2.01 -1.26 -4.14 115.64 114.14 4rub s THR 365 Ca -0.06 1.54 0.01 0.00 0.31 0.00 0.00 61.69 63.50 4rub s THR 365 Cb -0.02 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.52 4rub s THR 365 CO -0.03 0.23 -0.19 -1.58 -0.69 0.00 0.00 174.62 172.36 4rub s GLN 366 N -0.08 3.08 -0.23 4.92 2.00 0.29 -4.88 119.66 124.76 4rub s GLN 366 Ca 0.52 -0.81 -0.04 0.00 -2.00 0.00 0.00 55.36 53.02 4rub s GLN 366 Cb -0.30 -2.54 -0.01 0.00 0.80 0.00 0.00 33.01 30.96 4rub s GLN 366 CO 0.34 -0.06 -0.02 0.34 -0.50 0.00 0.00 175.29 175.39 4rub s ASP 367 N 0.95 4.44 0.00 6.67 2.15 -1.26 -0.50 116.67 129.12 4rub s ASP 367 Ca -0.03 -0.41 0.20 0.00 0.43 0.00 0.00 52.55 52.73 4rub s ASP 367 Cb -0.15 -1.76 0.54 0.00 -0.30 0.00 0.00 42.92 41.25 4rub s ASP 367 CO -0.04 -0.04 1.44 0.79 -0.17 0.00 0.00 175.17 177.15 4rub n TRP 368 N 4.81 0.48 -3.92 -5.34 7.02 0.13 -4.60 117.44 116.02 4rub n TRP 368 Ca -0.18 -0.24 -0.26 0.00 -1.02 0.00 0.00 57.50 55.81 4rub n TRP 368 Cb 0.51 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.41 4rub n TRP 368 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 4rub n VAL 369 N 0.96 -1.39 -1.48 -0.99 0.24 -1.26 -0.34 118.33 114.08 4rub n VAL 369 Ca 0.18 -0.32 -0.16 0.00 -2.04 0.00 0.00 64.34 62.00 4rub n VAL 369 Cb 0.46 -1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 31.58 4rub n VAL 369 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 4rub n SER 370 N -0.72 -5.51 -4.75 -1.34 7.64 -1.26 -4.96 113.62 102.71 4rub n SER 370 Ca -0.06 0.41 -0.41 0.00 1.01 0.00 0.00 58.87 59.81 4rub n SER 370 Cb 0.30 -4.46 -0.02 0.00 -1.01 0.00 0.00 64.21 59.03 4rub n SER 370 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 4rub s LEU 371 N -3.73 4.37 0.93 -3.43 2.96 0.54 -4.91 118.68 115.41 4rub s LEU 371 Ca 0.00 2.80 -0.12 0.00 -0.22 0.00 0.00 54.13 56.59 4rub s LEU 371 Cb 0.00 -3.63 0.08 0.00 0.50 0.00 0.00 46.19 43.13 4rub s LEU 371 CO 0.00 -0.77 0.69 -2.65 -1.32 0.00 0.00 176.35 172.31 4rub n PRO 372 N 1.89 -0.33 -4.03 0.98 -0.02 -1.26 -4.94 135.00 127.30 4rub n PRO 372 Ca 0.06 -0.04 -0.22 0.00 -2.02 0.00 0.00 63.50 61.28 4rub n PRO 372 Cb 0.39 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 4rub n PRO 372 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 4rub s GLY 373 N -2.22 1.49 -0.13 -1.23 0.00 -1.26 -4.76 107.32 99.21 4rub s GLY 373 Ca 0.61 -1.47 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 4rub s GLY 373 CO 0.63 -1.48 -0.02 0.14 0.00 0.00 0.00 173.10 172.38 4rub s VAL 374 N -2.17 4.12 -0.44 1.40 1.01 -0.78 -1.46 120.40 122.09 4rub s VAL 374 Ca 0.35 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 4rub s VAL 374 Cb -0.07 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.53 4rub s VAL 374 CO 0.26 0.53 1.55 -0.22 0.00 0.00 0.00 175.10 177.22 4rub s LEU 375 N -0.14 3.50 0.51 3.92 2.96 -0.86 -4.04 118.68 124.52 4rub s LEU 375 Ca 0.04 0.81 -0.21 0.00 -0.22 0.00 0.00 54.13 54.54 4rub s LEU 375 Cb -0.13 -3.36 -0.06 0.00 0.50 0.00 0.00 46.19 43.14 4rub s LEU 375 CO 0.02 -1.64 1.18 -2.16 -1.32 0.00 0.00 176.35 172.43 4rub s PRO 376 N 5.42 3.50 -0.13 0.98 0.04 -1.26 -2.82 135.00 140.73 4rub s PRO 376 Ca 0.65 1.77 0.02 0.00 0.04 0.00 0.00 61.00 63.49 4rub s PRO 376 Cb -0.15 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.16 4rub s PRO 376 CO 0.31 -0.76 -0.21 0.08 0.04 0.00 0.00 177.00 176.46 4rub s VAL 377 N -1.59 2.26 -0.31 -0.36 1.01 0.18 -1.16 120.40 120.42 4rub s VAL 377 Ca 0.68 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 4rub s VAL 377 Cb -0.28 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 4rub s VAL 377 CO 0.33 0.54 0.18 0.00 0.00 0.00 0.00 175.10 176.16 4rub s ALA 378 N 0.64 3.38 0.02 5.51 0.00 -0.02 -1.35 121.76 129.94 4rub s ALA 378 Ca -0.11 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 50.40 4rub s ALA 378 Cb -0.16 -2.46 0.02 0.00 0.00 0.00 0.00 23.12 20.51 4rub s ALA 378 CO 0.02 -0.84 0.27 0.45 0.00 0.00 0.00 175.76 175.67 4rub s SER 379 N 1.67 -0.10 0.00 0.00 0.15 -1.26 -0.17 113.70 113.98 4rub s SER 379 Ca 0.06 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.56 4rub s SER 379 Cb -0.17 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 4rub s SER 379 CO 0.08 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.60 4rub n GLY 380 N 0.87 0.89 3.54 9.45 0.00 -1.26 -4.62 105.19 114.07 4rub n GLY 380 Ca -0.20 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.66 4rub n GLY 380 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4rub n GLY 381 N 2.46 -0.34 3.29 -0.02 0.00 -1.26 -2.37 105.19 106.95 4rub n GLY 381 Ca 0.00 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 4rub n GLY 381 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 4rub s ILE 382 N -3.48 1.74 0.24 -0.61 -4.36 -1.26 -3.67 121.20 109.80 4rub s ILE 382 Ca 0.02 -1.47 -0.08 0.00 -0.26 0.00 0.00 60.65 58.86 4rub s ILE 382 Cb -0.01 -1.56 -0.02 0.00 1.25 0.00 0.00 42.46 42.12 4rub s ILE 382 CO 0.76 0.02 0.35 -1.38 0.24 0.00 0.00 174.94 174.93 4rub s HIS 383 N -1.06 0.70 0.14 1.37 -3.43 -1.26 -4.37 115.29 107.37 4rub s HIS 383 Ca 0.07 -1.00 -0.09 0.00 -0.80 0.00 0.00 55.06 53.24 4rub s HIS 383 Cb -0.10 -0.10 0.16 0.00 -1.43 0.00 0.00 32.58 31.10 4rub s HIS 383 CO 0.04 -0.87 0.90 1.55 -2.00 0.00 0.00 174.74 174.36 4rub n VAL 384 N -0.35 -0.30 0.65 -5.38 3.14 -1.26 0.18 118.33 115.00 4rub n VAL 384 Ca -0.00 1.36 0.05 0.00 -2.96 0.00 0.00 64.34 62.79 4rub n VAL 384 Cb 0.63 -1.80 0.31 0.00 -1.06 0.00 0.00 33.84 31.92 4rub n VAL 384 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 4rub n TRP 385 N -4.87 0.00 0.73 1.45 7.02 -1.26 -1.57 117.44 118.94 4rub n TRP 385 Ca 0.06 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.62 4rub n TRP 385 Cb 0.24 -0.06 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 4rub n TRP 385 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 4rub n HIS 386 N -1.06 0.00 -0.30 -5.99 8.25 0.47 -4.74 115.22 111.84 4rub n HIS 386 Ca 0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.46 4rub n HIS 386 Cb 0.05 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 4rub n HIS 386 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 4rub h MET 387 N 0.65 -0.12 -0.42 -0.41 -1.53 -1.33 -0.75 114.93 111.02 4rub h MET 387 Ca 0.00 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.26 4rub h MET 387 Cb 0.43 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.49 4rub h MET 387 CO 0.00 -0.08 0.24 -1.00 0.14 0.00 0.00 176.91 176.21 4rub h PRO 388 N -0.12 0.56 0.28 0.39 0.13 -1.85 0.60 132.00 131.99 4rub h PRO 388 Ca 0.20 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 4rub h PRO 388 Cb 0.53 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.54 4rub h PRO 388 CO -0.82 0.40 -0.13 0.00 -0.23 0.00 0.00 178.00 177.22 4rub h ALA 389 N 1.70 -0.37 -0.22 -0.56 0.00 -1.46 -0.95 119.26 117.40 4rub h ALA 389 Ca 0.15 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.93 4rub h ALA 389 Cb -0.01 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 4rub h ALA 389 CO -0.03 -0.52 -0.15 -0.07 0.00 0.00 0.00 179.25 178.49 4rub h LEU 390 N -0.75 -0.47 -0.31 0.00 3.38 -1.22 0.19 115.31 116.12 4rub h LEU 390 Ca -0.04 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.10 4rub h LEU 390 Cb 0.50 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 4rub h LEU 390 CO 0.06 -0.18 -0.16 0.74 0.09 0.00 0.00 178.44 178.99 4rub h THR 391 N -0.14 0.52 0.05 0.22 2.02 -0.92 0.97 112.91 115.63 4rub h THR 391 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 4rub h THR 391 Cb 0.32 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 4rub h THR 391 CO -0.31 0.00 -0.08 -0.08 0.37 0.00 0.00 175.52 175.42 4rub h GLU 392 N -0.12 -0.13 -0.55 6.66 4.22 0.13 0.86 114.58 125.65 4rub h GLU 392 Ca 0.16 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.72 4rub h GLU 392 Cb 0.36 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 4rub h GLU 392 CO -0.38 -0.09 -0.12 0.82 -2.18 0.00 0.00 179.01 177.06 4rub h ILE 393 N -0.14 0.46 0.00 2.32 2.04 -0.56 -3.30 117.51 118.33 4rub h ILE 393 Ca -0.01 -0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.64 4rub h ILE 393 Cb 0.13 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 4rub h ILE 393 CO -0.03 0.00 -1.78 0.49 0.00 0.00 0.00 178.15 176.83 4rub n PHE 394 N -5.37 0.58 -0.77 1.37 3.72 0.32 -5.01 117.46 112.30 4rub n PHE 394 Ca 0.06 0.20 0.10 0.00 -0.05 0.00 0.00 57.45 57.76 4rub n PHE 394 Cb 0.29 -0.98 -0.03 0.00 -0.94 0.00 0.00 39.48 37.82 4rub n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4rub n GLY 395 N 1.48 -1.60 0.21 1.37 0.00 0.30 -4.46 105.19 102.49 4rub n GLY 395 Ca -0.16 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 4rub n GLY 395 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4rub h ASP 396 N -0.71 -0.47 -0.06 1.61 3.32 -1.88 -3.30 116.42 114.93 4rub h ASP 396 Ca 0.02 0.16 -0.66 0.00 0.02 0.00 0.00 57.03 56.56 4rub h ASP 396 Cb 0.70 0.32 0.01 0.00 0.22 0.00 0.00 39.33 40.57 4rub h ASP 396 CO 0.01 -0.17 2.53 0.47 -1.72 0.00 0.00 179.24 180.36 4rub n ASP 397 N -5.36 3.11 -3.75 6.45 8.00 -1.26 -2.78 116.55 120.95 4rub n ASP 397 Ca 0.05 -2.75 -0.09 0.00 0.71 0.00 0.00 54.79 52.72 4rub n ASP 397 Cb 0.28 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 39.99 4rub n ASP 397 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 4rub s SER 398 N 4.41 -0.31 -0.15 -2.24 1.04 -1.24 -4.28 113.70 110.93 4rub s SER 398 Ca 0.54 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.51 4rub s SER 398 Cb 0.13 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.93 4rub s SER 398 CO 0.04 -1.20 -0.21 -0.69 0.98 0.00 0.00 173.24 172.16 4rub s VAL 399 N -3.88 2.06 -0.21 5.02 1.01 -0.31 -0.89 120.40 123.20 4rub s VAL 399 Ca 0.09 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 4rub s VAL 399 Cb -0.04 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 4rub s VAL 399 CO 0.01 0.55 -0.01 -0.76 0.00 0.00 0.00 175.10 174.89 4rub s LEU 400 N 0.95 3.14 -0.18 3.92 1.43 0.28 -0.84 118.68 127.39 4rub s LEU 400 Ca -0.04 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 4rub s LEU 400 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 4rub s LEU 400 CO -0.05 0.03 0.07 -1.10 0.23 0.00 0.00 176.35 175.53 4rub s GLN 401 N 1.17 3.98 -0.51 1.70 -0.21 0.76 -1.63 119.66 124.92 4rub s GLN 401 Ca 0.03 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.08 4rub s GLN 401 Cb -0.14 -3.22 0.13 0.00 1.00 0.00 0.00 33.01 30.78 4rub s GLN 401 CO 0.01 0.28 0.28 -0.06 -2.12 0.00 0.00 175.29 173.68 4rub s PHE 402 N 0.34 3.43 0.00 0.91 0.08 0.30 -4.28 117.98 118.75 4rub s PHE 402 Ca 0.03 -2.86 0.00 0.00 0.12 0.00 0.00 56.93 54.23 4rub s PHE 402 Cb -0.12 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 4rub s PHE 402 CO -0.00 -0.85 0.00 0.41 -0.10 0.00 0.00 175.22 174.68 4rub n GLY 403 N 3.68 -0.12 0.31 4.36 0.00 -1.26 -3.03 105.19 109.12 4rub n GLY 403 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 4rub n GLY 403 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 4rub h GLY 404 N 0.00 1.34 1.79 -0.02 0.00 -1.91 -0.49 103.07 103.78 4rub h GLY 404 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 4rub h GLY 404 CO 0.00 0.07 0.08 -1.33 0.00 0.00 0.00 176.54 175.36 4rub h GLY 405 N 0.74 0.00 0.00 4.60 0.00 -1.76 0.36 103.07 107.02 4rub h GLY 405 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 4rub h GLY 405 CO -0.29 0.00 -0.21 2.41 0.00 0.00 0.00 176.54 178.45 4rub n THR 406 N -2.25 0.57 0.75 4.70 -1.04 -0.43 -4.63 114.28 111.96 4rub n THR 406 Ca -0.01 0.26 0.07 0.00 -2.04 0.00 0.00 64.05 62.33 4rub n THR 406 Cb 0.11 -1.55 0.38 0.00 -1.82 0.00 0.00 70.33 67.45 4rub n THR 406 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 4rub n LEU 407 N -3.12 0.00 -0.88 -4.42 4.32 -0.32 -2.45 117.00 110.13 4rub n LEU 407 Ca -0.03 0.18 0.12 0.00 -0.02 0.00 0.00 56.01 56.26 4rub n LEU 407 Cb 0.11 -0.18 0.08 0.00 -1.62 0.00 0.00 43.42 41.81 4rub n LEU 407 CO 0.04 -0.10 0.58 0.61 -1.22 0.00 0.00 177.39 177.31 4rub n GLY 408 N -0.10 0.83 3.74 -0.72 0.00 0.13 -4.83 105.19 104.24 4rub n GLY 408 Ca 0.08 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 4rub n GLY 408 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 4rub s HIS 409 N -2.03 3.24 0.58 1.61 5.04 -1.02 -4.93 115.29 117.77 4rub s HIS 409 Ca 0.26 1.27 0.29 0.00 -1.54 0.00 0.00 55.06 55.35 4rub s HIS 409 Cb 0.19 -3.60 1.43 0.00 0.04 0.00 0.00 32.58 30.65 4rub s HIS 409 CO 0.33 -1.82 1.84 -1.00 -2.34 0.00 0.00 174.74 171.75 4rub h PRO 410 N 5.01 0.00 -0.41 2.88 0.13 -1.92 -1.88 132.00 135.81 4rub h PRO 410 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 4rub h PRO 410 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 4rub h PRO 410 CO 0.75 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.43 4rub n TRP 411 N -3.76 1.11 -1.23 1.56 8.01 -1.26 -5.09 117.44 116.77 4rub n TRP 411 Ca 0.12 -0.71 0.00 0.00 -1.31 0.00 0.00 57.50 55.60 4rub n TRP 411 Cb 0.81 -0.26 0.00 0.00 -2.01 0.00 0.00 31.31 29.85 4rub n TRP 411 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 4rub n GLY 412 N 0.25 -2.33 0.38 6.99 0.00 -0.71 -4.60 105.19 105.16 4rub n GLY 412 Ca 0.21 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 4rub n GLY 412 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 4rub h ASN 413 N 0.00 -1.51 -0.12 1.61 4.21 -1.85 -1.75 115.58 116.16 4rub h ASN 413 Ca 0.00 0.19 0.01 0.00 1.21 0.00 0.00 56.30 57.72 4rub h ASN 413 Cb 0.00 0.61 -0.03 0.00 -1.12 0.00 0.00 38.32 37.78 4rub h ASN 413 CO 0.00 -0.35 -0.18 0.00 -1.29 0.00 0.00 177.43 175.61 4rub h ALA 414 N -0.33 -0.46 -0.48 -0.83 0.00 -1.84 0.26 119.26 115.58 4rub h ALA 414 Ca 0.05 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.05 4rub h ALA 414 Cb 0.51 0.83 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 4rub h ALA 414 CO -0.45 -0.54 -0.03 -1.35 0.00 0.00 0.00 179.25 176.87 4rub h PRO 415 N -0.13 0.08 -0.11 0.00 0.11 -1.81 -0.55 132.00 129.59 4rub h PRO 415 Ca 0.02 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.15 4rub h PRO 415 Cb 0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 4rub h PRO 415 CO -0.18 0.05 0.08 0.78 -0.21 0.00 0.00 178.00 178.52 4rub h GLY 416 N 0.08 0.06 0.44 -0.55 0.00 -0.35 0.87 103.07 103.62 4rub h GLY 416 Ca 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 4rub h GLY 416 CO -0.43 0.02 -0.21 0.00 0.00 0.00 0.00 176.54 175.92 4rub h ALA 417 N 1.94 -0.73 -0.91 3.60 0.00 0.10 -3.01 119.26 120.26 4rub h ALA 417 Ca 0.05 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.05 4rub h ALA 417 Cb 0.13 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 17.99 4rub h ALA 417 CO -0.00 -0.68 -0.04 0.28 0.00 0.00 0.00 179.25 178.81 4rub h VAL 418 N -0.92 0.12 -0.05 0.00 2.07 -0.41 -0.38 116.25 116.68 4rub h VAL 418 Ca -0.06 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.48 4rub h VAL 418 Cb 0.45 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 4rub h VAL 418 CO 0.10 0.01 -0.49 0.00 0.02 0.00 0.00 177.57 177.21 4rub h ALA 419 N 1.89 -0.81 -0.58 1.67 0.00 -0.87 -0.30 119.26 120.26 4rub h ALA 419 Ca 0.51 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 4rub h ALA 419 Cb 0.96 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 4rub h ALA 419 CO -0.86 -1.04 0.12 -0.91 0.00 0.00 0.00 179.25 176.57 4rub h ASN 420 N -0.60 0.90 0.12 0.00 4.21 -1.00 -1.04 115.58 118.16 4rub h ASN 420 Ca 0.04 -0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.31 4rub h ASN 420 Cb 0.69 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 4rub h ASN 420 CO -0.37 0.91 -0.11 -0.09 -1.29 0.00 0.00 177.43 176.48 4rub h ARG 421 N 0.85 -0.23 0.16 0.81 9.65 -0.64 -1.26 114.38 123.71 4rub h ARG 421 Ca 0.18 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.08 4rub h ARG 421 Cb 0.37 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 4rub h ARG 421 CO 0.01 -0.16 -0.12 0.28 2.80 0.00 0.00 179.97 182.78 4rub h VAL 422 N -0.24 0.74 -0.67 0.20 2.07 -0.99 0.44 116.25 117.80 4rub h VAL 422 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.67 4rub h VAL 422 Cb 0.23 0.74 -0.11 0.00 -1.52 0.00 0.00 31.29 30.63 4rub h VAL 422 CO -0.02 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.60 4rub h ALA 423 N 0.55 0.70 -0.01 1.67 0.00 -1.03 0.29 119.26 121.43 4rub h ALA 423 Ca -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 4rub h ALA 423 Cb 0.25 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 4rub h ALA 423 CO -0.01 -0.39 -0.01 1.25 0.00 0.00 0.00 179.25 180.09 4rub h LEU 424 N 0.14 0.03 -2.14 0.00 5.85 -0.89 -1.61 115.31 116.69 4rub h LEU 424 Ca 0.36 -0.50 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 4rub h LEU 424 Cb 0.60 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 4rub h LEU 424 CO -0.56 0.52 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.72 4rub h GLU 425 N -0.46 0.00 0.59 1.25 5.08 0.97 0.59 114.58 122.60 4rub h GLU 425 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 4rub h GLU 425 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 4rub h GLU 425 CO 0.00 0.02 -0.28 0.00 -1.00 0.00 0.00 179.01 177.75 4rub h ALA 426 N 1.98 -0.79 -0.80 3.43 0.00 -0.26 -2.51 119.26 120.32 4rub h ALA 426 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.74 4rub h ALA 426 Cb 0.03 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 4rub h ALA 426 CO 0.00 -0.91 0.52 0.00 0.00 0.00 0.00 179.25 178.87 4rub h VAL 428 N 1.06 0.91 -0.53 0.00 2.07 -0.72 -0.45 116.25 118.59 4rub h VAL 428 Ca 0.30 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.64 4rub h VAL 428 Cb -0.10 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 4rub h VAL 428 CO -0.07 0.04 -0.11 0.50 0.02 0.00 0.00 177.57 177.94 4rub h LYS 429 N 0.19 1.02 0.01 1.57 3.64 -1.36 -0.68 116.57 120.96 4rub h LYS 429 Ca 0.12 -0.38 0.03 0.00 -1.27 0.00 0.00 60.65 59.15 4rub h LYS 429 Cb 0.10 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 4rub h LYS 429 CO -0.13 1.07 -0.21 0.00 -2.27 0.00 0.00 179.45 177.90 4rub h ALA 430 N 0.92 -0.28 -0.24 5.00 0.00 -1.14 0.43 119.26 123.95 4rub h ALA 430 Ca 0.14 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.10 4rub h ALA 430 Cb 0.68 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 4rub h ALA 430 CO 0.05 -0.71 -0.14 -0.09 0.00 0.00 0.00 179.25 178.36 4rub h ARG 431 N -0.35 -0.11 -0.09 0.00 2.43 -0.73 0.11 114.38 115.64 4rub h ARG 431 Ca 0.06 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 4rub h ARG 431 Cb 0.42 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 4rub h ARG 431 CO -0.19 -0.08 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.13 4rub h ASN 432 N -0.12 0.13 0.66 -3.80 2.35 -0.13 -1.23 115.58 113.44 4rub h ASN 432 Ca 0.13 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 4rub h ASN 432 Cb 0.32 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.65 4rub h ASN 432 CO -0.32 0.31 0.00 -0.62 -1.65 0.00 0.00 177.43 175.15 4rub n GLU 433 N -4.28 0.18 -0.03 0.81 -0.58 0.14 -4.87 120.64 112.00 4rub n GLU 433 Ca -0.01 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 4rub n GLU 433 Cb 0.27 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 4rub n GLU 433 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 4rub n GLY 434 N 0.95 0.74 3.41 0.62 0.00 -0.47 -5.09 105.19 105.36 4rub n GLY 434 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 4rub n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4rub s ARG 435 N -0.97 -1.89 -0.33 1.61 0.52 0.32 -4.97 118.95 113.24 4rub s ARG 435 Ca 0.00 0.45 -0.00 0.00 -0.52 0.00 0.00 55.73 55.66 4rub s ARG 435 Cb 0.00 -1.47 0.08 0.00 0.52 0.00 0.00 34.95 34.08 4rub s ARG 435 CO 0.00 -4.27 0.06 0.34 0.02 0.00 0.00 175.30 171.44 4rub s ASP 436 N -2.89 4.91 0.27 0.23 -1.08 -1.26 -4.56 116.67 112.29 4rub s ASP 436 Ca 0.69 -1.70 0.00 0.00 -0.52 0.00 0.00 52.55 51.01 4rub s ASP 436 Cb -0.19 -1.71 0.56 0.00 -1.46 0.00 0.00 42.92 40.13 4rub s ASP 436 CO 0.61 -0.36 1.77 -0.07 0.52 0.00 0.00 175.17 177.64 4rub h LEU 437 N 7.90 0.59 0.06 -1.34 -0.00 -1.91 0.51 115.31 121.12 4rub h LEU 437 Ca -0.15 0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 4rub h LEU 437 Cb 1.05 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 4rub h LEU 437 CO 0.57 0.24 -0.03 0.00 -0.00 0.00 0.00 178.44 179.22 4rub h ALA 438 N 1.57 -0.08 0.22 1.53 0.00 -1.93 -0.65 119.26 119.92 4rub h ALA 438 Ca 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 4rub h ALA 438 Cb 0.68 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 4rub h ALA 438 CO -0.36 -0.36 -0.11 1.96 0.00 0.00 0.00 179.25 180.38 4rub h GLN 439 N -0.44 -0.28 0.00 0.00 4.20 -1.87 -3.34 115.11 113.38 4rub h GLN 439 Ca -0.01 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 4rub h GLN 439 Cb 0.39 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.24 4rub h GLN 439 CO 0.01 -0.19 0.00 0.39 -0.67 0.00 0.00 178.83 178.37 4rub n GLU 440 N -3.72 0.29 0.00 1.46 1.02 0.18 -4.50 120.64 115.36 4rub n GLU 440 Ca -0.04 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 4rub n GLU 440 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 4rub n GLU 440 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4rub n GLY 441 N -0.35 -0.12 0.39 0.62 0.00 -0.25 -2.49 105.19 103.00 4rub n GLY 441 Ca 0.07 0.03 0.25 0.00 0.00 0.00 0.00 46.02 46.37 4rub n GLY 441 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 4rub n ASN 442 N -0.05 0.00 -0.00 1.61 2.85 -1.26 -0.65 115.26 117.76 4rub n ASN 442 Ca 0.00 0.56 -0.20 0.00 -0.11 0.00 0.00 54.58 54.83 4rub n ASN 442 Cb 0.00 -0.23 -0.14 0.00 1.24 0.00 0.00 39.78 40.65 4rub n ASN 442 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 4rub h GLU 443 N 0.00 0.20 -0.45 1.20 4.57 -1.83 -3.02 114.58 115.24 4rub h GLU 443 Ca 0.44 -0.34 0.08 0.00 -1.18 0.00 0.00 59.36 58.36 4rub h GLU 443 Cb 2.14 0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 30.76 4rub h GLU 443 CO -0.00 1.16 -0.38 0.82 -1.18 0.00 0.00 179.01 179.43 4rub h ILE 444 N -0.50 0.16 -0.19 2.32 2.04 -0.79 2.94 117.51 123.49 4rub h ILE 444 Ca -0.21 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.47 4rub h ILE 444 Cb 1.56 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 4rub h ILE 444 CO 0.05 0.00 -0.63 0.16 0.00 0.00 0.00 178.15 177.74 4rub h ILE 445 N -0.26 1.31 -0.75 -0.67 -0.00 -1.70 -2.83 117.51 112.61 4rub h ILE 445 Ca 0.17 -1.87 0.18 0.00 -0.00 0.00 0.00 64.86 63.34 4rub h ILE 445 Cb 0.56 1.83 -0.04 0.00 -0.00 0.00 0.00 36.82 39.17 4rub h ILE 445 CO -0.59 0.59 0.51 -0.09 -0.00 0.00 0.00 178.15 178.57 4rub h ARG 446 N 0.50 0.20 0.01 0.16 2.43 -0.47 0.88 114.38 118.08 4rub h ARG 446 Ca -0.01 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.89 4rub h ARG 446 Cb 1.21 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.73 4rub h ARG 446 CO 0.12 0.13 -1.03 0.93 -1.51 0.00 0.00 179.97 178.62 4rub h GLU 447 N 0.21 0.59 -0.12 0.20 5.08 0.52 -3.12 114.58 117.94 4rub h GLU 447 Ca 0.37 -0.65 -0.16 0.00 -1.00 0.00 0.00 59.36 57.91 4rub h GLU 447 Cb 1.13 0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.58 4rub h GLU 447 CO -0.07 1.26 -0.55 0.00 -1.00 0.00 0.00 179.01 178.64 4rub h ALA 448 N 0.51 0.22 -1.00 3.43 0.00 -0.58 -2.74 119.26 119.10 4rub h ALA 448 Ca -0.12 -0.52 0.22 0.00 0.00 0.00 0.00 54.91 54.49 4rub h ALA 448 Cb 1.68 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.35 4rub h ALA 448 CO 0.19 0.44 0.62 0.00 0.00 0.00 0.00 179.25 180.50 4rub h LYS 450 N 0.63 0.88 0.00 0.00 1.57 -1.42 -3.14 116.57 115.09 4rub h LYS 450 Ca 0.59 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 4rub h LYS 450 Cb 1.11 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.24 4rub h LYS 450 CO -0.38 0.65 -1.00 -2.67 -0.57 0.00 0.00 179.45 175.47 4rub n TRP 451 N -4.38 0.38 -3.92 -1.35 4.27 0.18 -4.85 117.44 107.76 4rub n TRP 451 Ca 0.06 0.11 -0.35 0.00 -3.89 0.00 0.00 57.50 53.43 4rub n TRP 451 Cb 0.10 -0.53 -0.14 0.00 -1.36 0.00 0.00 31.31 29.37 4rub n TRP 451 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 4rub s SER 452 N -4.16 4.50 0.26 -0.67 0.15 -0.09 -5.00 113.70 108.69 4rub s SER 452 Ca 0.03 -0.88 -0.02 0.00 0.70 0.00 0.00 55.95 55.78 4rub s SER 452 Cb 0.14 -1.70 0.51 0.00 -1.71 0.00 0.00 66.02 63.26 4rub s SER 452 CO 0.79 -0.15 1.75 -0.65 1.20 0.00 0.00 173.24 176.18 4rub h PRO 453 N 8.05 0.53 -0.11 5.44 0.11 -1.89 1.12 132.00 145.25 4rub h PRO 453 Ca -0.31 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.59 4rub h PRO 453 Cb 1.11 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.10 4rub h PRO 453 CO 0.57 0.35 -0.60 0.93 -0.21 0.00 0.00 178.00 179.05 4rub h GLU 454 N 0.55 0.61 -0.79 1.05 3.07 -1.94 -2.60 114.58 114.52 4rub h GLU 454 Ca 0.45 -0.50 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 4rub h GLU 454 Cb 0.66 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.64 4rub h GLU 454 CO -0.38 1.12 0.37 1.25 -1.40 0.00 0.00 179.01 179.97 4rub h LEU 455 N 0.25 1.03 0.08 1.33 5.85 -1.28 -2.89 115.31 119.67 4rub h LEU 455 Ca -0.04 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.56 4rub h LEU 455 Cb 1.24 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 4rub h LEU 455 CO 0.12 0.87 -0.30 0.00 -0.34 0.00 0.00 178.44 178.79 4rub h ALA 456 N 1.29 -0.82 -1.00 1.25 0.00 0.13 -1.52 119.26 118.58 4rub h ALA 456 Ca 0.27 -0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.45 4rub h ALA 456 Cb 0.12 0.70 -0.18 0.00 0.00 0.00 0.00 17.79 18.42 4rub h ALA 456 CO -0.03 -0.89 0.22 0.00 0.00 0.00 0.00 179.25 178.55 4rub n ALA 457 N -2.72 0.71 0.35 0.00 0.00 -0.99 0.44 120.51 118.30 4rub n ALA 457 Ca -0.05 1.05 -0.16 0.00 0.00 0.00 0.00 53.44 54.28 4rub n ALA 457 Cb 0.24 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 4rub n ALA 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4rub h ALA 458 N 2.00 -0.89 -0.81 0.00 0.00 -1.24 -3.10 119.26 115.22 4rub h ALA 458 Ca 0.70 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.59 4rub h ALA 458 Cb 1.64 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 19.63 4rub h ALA 458 CO -0.87 -0.91 0.01 0.00 0.00 0.00 0.00 179.25 177.48 4rub h GLU 460 N 0.09 0.68 -0.39 0.00 4.39 -1.28 -1.44 114.58 116.63 4rub h GLU 460 Ca 0.45 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 60.00 4rub h GLU 460 Cb 0.81 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 4rub h GLU 460 CO -0.72 0.45 -0.18 0.28 -1.16 0.00 0.00 179.01 177.68 4rub h VAL 461 N 0.70 1.28 -0.53 3.13 2.07 -1.13 -3.27 116.25 118.51 4rub h VAL 461 Ca 0.20 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.40 4rub h VAL 461 Cb -0.06 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 4rub h VAL 461 CO -0.05 0.44 0.00 0.79 0.02 0.00 0.00 177.57 178.77 4rub n TRP 462 N -4.25 0.71 -0.15 1.57 8.01 -0.65 -4.74 117.44 117.93 4rub n TRP 462 Ca -0.02 -0.48 -0.05 0.00 -1.31 0.00 0.00 57.50 55.65 4rub n TRP 462 Cb 0.42 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.31 29.66 4rub n TRP 462 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 4rub h LYS 463 N 3.25 -0.03 0.00 -0.99 3.64 -1.31 -1.57 116.57 119.56 4rub h LYS 463 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 4rub h LYS 463 Cb 0.86 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 4rub h LYS 463 CO 0.00 -0.02 0.00 0.39 -2.27 0.00 0.00 179.45 177.55 4rub n GLU 464 N -3.92 0.48 -3.21 1.90 -0.58 -1.26 -4.89 120.64 109.15 4rub n GLU 464 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.36 4rub n GLU 464 Cb 0.12 -1.29 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 4rub n GLU 464 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 4rub s ILE 465 N -2.00 5.04 0.16 -3.67 -1.09 -0.59 -5.06 121.20 113.99 4rub s ILE 465 Ca 0.13 1.19 -0.07 0.00 -2.23 0.00 0.00 60.65 59.67 4rub s ILE 465 Cb 0.06 -3.92 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 4rub s ILE 465 CO 0.10 0.35 0.24 0.68 -1.23 0.00 0.00 174.94 175.08 4rub s VAL 466 N 0.33 0.07 -0.53 2.92 -7.23 -1.26 -5.07 120.40 109.63 4rub s VAL 466 Ca 0.31 -1.51 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 4rub s VAL 466 Cb -0.17 -1.91 0.35 0.00 0.56 0.00 0.00 36.38 35.21 4rub s VAL 466 CO 0.15 -0.32 0.92 0.49 -0.31 0.00 0.00 175.10 176.03 4rub n PHE 467 N -0.20 3.21 -3.16 2.82 3.01 -1.26 -5.04 117.46 116.84 4rub n PHE 467 Ca -0.07 -3.89 -0.39 0.00 1.01 0.00 0.00 57.45 54.11 4rub n PHE 467 Cb 0.63 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.60 4rub n PHE 467 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 4rub s ASN 468 N -3.27 6.78 -0.28 4.37 2.47 -1.26 -4.83 114.94 118.92 4rub s ASN 468 Ca 0.47 0.93 -0.18 0.00 0.42 0.00 0.00 52.86 54.50 4rub s ASN 468 Cb 0.30 -2.35 0.09 0.00 -1.45 0.00 0.00 41.25 37.85 4rub s ASN 468 CO -0.13 -0.13 0.75 -0.36 -3.72 0.00 0.00 177.10 173.51 4rub s PHE 469 N 1.13 -0.92 -0.22 0.43 0.40 -1.26 -5.14 117.98 112.40 4rub s PHE 469 Ca 0.30 1.93 -0.29 0.00 -0.60 0.00 0.00 56.93 58.27 4rub s PHE 469 Cb -0.16 0.52 -0.06 0.00 0.51 0.00 0.00 43.02 43.82 4rub s PHE 469 CO 0.13 -0.46 2.20 0.00 0.70 0.00 0.00 175.22 177.79 4rub n ALA 470 N 3.81 1.65 -0.92 5.36 0.00 -1.26 -4.96 120.51 124.19 4rub n ALA 470 Ca -0.18 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 52.75 4rub n ALA 470 Cb 0.58 -2.84 0.13 0.00 0.00 0.00 0.00 19.45 17.32 4rub n ALA 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4rub n ALA 471 N 11.04 -0.98 -1.97 0.00 0.00 -1.26 -5.08 120.51 122.25 4rub n ALA 471 Ca 0.31 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.30 4rub n ALA 471 Cb 0.41 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.77 4rub n ALA 471 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 4rub n VAL 472 N -3.56 0.00 0.00 0.00 0.31 -1.26 -5.18 118.33 108.64 4rub n VAL 472 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 4rub n VAL 472 Cb 0.51 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 4rub n VAL 472 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98