#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 -0.02 -1.37 0.00 3.41 -1.26 -4.97 113.62 109.41 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 0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.87 -5.05 -1.38 -3.33 0.31 -1.26 -4.93 118.33 104.57 4rub n VAL 11 Ca 0.00 0.83 -0.38 0.00 -0.01 0.00 0.00 64.34 64.78 4rub n VAL 11 Cb 0.00 -3.84 0.03 0.00 -0.91 0.00 0.00 33.84 29.12 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 0.48 -2.08 3.69 2.92 0.00 -1.26 -4.86 105.19 104.08 4rub n GLY 12 Ca -0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.82 3.34 -0.34 1.61 5.36 -1.26 -4.96 117.98 119.91 4rub s PHE 13 Ca 0.64 1.38 0.02 0.00 -0.96 0.00 0.00 56.93 58.02 4rub s PHE 13 Cb -0.45 -3.32 0.10 0.00 -0.34 0.00 0.00 43.02 39.01 4rub s PHE 13 CO 0.59 -0.84 0.08 0.21 -1.46 0.00 0.00 175.22 173.79 4rub s LYS 14 N 2.08 1.23 0.89 10.12 2.20 -1.26 -5.10 119.74 129.89 4rub s LYS 14 Ca 0.53 -1.63 -0.14 0.00 -0.36 0.00 0.00 55.97 54.36 4rub s LYS 14 Cb -0.22 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 4rub s LYS 14 CO 0.21 -0.97 0.36 0.00 -0.36 0.00 0.00 175.35 174.59 4rub n ALA 15 N 4.40 -2.48 0.00 3.13 0.00 -1.26 -4.82 120.51 119.47 4rub n ALA 15 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.95 4rub n ALA 15 Cb 0.41 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 1.67 2.71 3.73 0.00 0.00 -1.26 -4.90 105.19 107.14 4rub n GLY 16 Ca 0.07 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.95 2.80 -0.04 1.61 1.01 -1.26 -1.69 120.40 119.87 4rub s VAL 17 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 4rub s VAL 17 Cb 0.00 -2.62 0.08 0.00 0.00 0.00 0.00 36.38 33.83 4rub s VAL 17 CO 0.00 -0.32 0.72 -0.54 0.00 0.00 0.00 175.10 174.96 4rub s LYS 18 N -4.64 1.02 0.59 2.72 1.02 -1.26 -4.91 119.74 114.28 4rub s LYS 18 Ca 0.65 0.15 -0.18 0.00 0.02 0.00 0.00 55.97 56.61 4rub s LYS 18 Cb -0.21 0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 4rub s LYS 18 CO 0.54 -0.34 1.13 -1.21 -0.92 0.00 0.00 175.35 174.55 4rub s GLU 19 N -1.52 3.13 0.11 1.68 8.01 -1.26 -4.90 118.70 123.95 4rub s GLU 19 Ca -0.08 1.56 -0.22 0.00 0.01 0.00 0.00 54.97 56.24 4rub s GLU 19 Cb -0.00 -1.98 -0.07 0.00 -4.31 0.00 0.00 34.13 27.76 4rub s GLU 19 CO 0.06 -1.02 1.71 1.88 0.01 0.00 0.00 175.26 177.90 4rub h TYR 20 N 0.77 -0.13 -0.48 1.61 0.05 -1.92 -2.09 116.97 114.79 4rub h TYR 20 Ca -0.49 0.01 0.19 0.00 0.05 0.00 0.00 58.73 58.49 4rub h TYR 20 Cb 1.26 0.07 -0.09 0.00 1.01 0.00 0.00 36.73 38.98 4rub h TYR 20 CO 0.52 -0.09 0.20 1.17 -1.05 0.00 0.00 178.16 178.91 4rub n LYS 21 N -5.18 -0.03 0.13 4.88 4.81 -1.26 -0.34 118.16 121.17 4rub n LYS 21 Ca -0.04 0.68 0.14 0.00 -0.87 0.00 0.00 58.31 58.21 4rub n LYS 21 Cb 0.11 -1.18 0.67 0.00 0.02 0.00 0.00 35.03 34.65 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 -1.71 -2.94 115.31 113.80 4rub h LEU 22 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 4rub h LEU 22 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 4rub h LEU 22 CO -0.39 0.00 -0.87 0.41 -0.00 0.00 0.00 178.44 177.59 4rub n THR 23 N -4.45 0.00 1.08 0.22 -1.04 0.54 -4.75 114.28 105.88 4rub n THR 23 Ca 0.03 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.16 4rub n THR 23 Cb 0.35 -0.28 0.13 0.00 -1.82 0.00 0.00 70.33 68.70 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 -1.58 0.00 -3.72 -1.42 4.01 -0.79 -4.74 117.16 108.92 4rub n TYR 24 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 4rub n TYR 24 Cb 0.24 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.27 3.18 -0.39 -0.72 5.04 -1.11 -0.69 117.35 120.39 4rub s TYR 25 Ca 0.24 -0.96 0.08 0.00 -2.44 0.00 0.00 57.07 53.99 4rub s TYR 25 Cb 0.19 -2.30 0.25 0.00 0.35 0.00 0.00 41.96 40.45 4rub s TYR 25 CO 0.45 -0.58 0.52 2.41 -1.34 0.00 0.00 175.55 177.01 4rub n THR 26 N 4.90 -0.71 0.20 4.34 -1.04 -0.26 -4.88 114.28 116.83 4rub n THR 26 Ca -0.14 -3.98 0.03 0.00 -2.04 0.00 0.00 64.05 57.92 4rub n THR 26 Cb 0.48 -1.93 0.12 0.00 -1.82 0.00 0.00 70.33 67.18 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 1.44 0.02 -0.08 -2.82 -0.04 -1.26 -1.42 135.00 130.84 4rub n PRO 27 Ca 0.21 0.37 -0.12 0.00 -0.04 0.00 0.00 63.50 63.92 4rub n PRO 27 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.47 -6.06 0.54 3.07 -1.92 -3.47 114.58 107.21 4rub h GLU 28 Ca 0.00 -0.18 -0.72 0.00 -0.50 0.00 0.00 59.36 57.96 4rub h GLU 28 Cb 0.08 -0.03 0.08 0.00 -0.84 0.00 0.00 28.75 28.04 4rub h GLU 28 CO 0.00 0.70 -0.12 0.98 -1.40 0.00 0.00 179.01 179.17 4rub n TYR 29 N -4.56 0.34 -3.72 4.33 9.36 -0.51 -5.00 117.16 117.40 4rub n TYR 29 Ca -0.04 0.96 -0.38 0.00 3.32 0.00 0.00 57.90 61.76 4rub n TYR 29 Cb 0.30 -2.07 -0.12 0.00 -0.63 0.00 0.00 39.34 36.81 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 -0.42 2.63 0.34 2.98 -1.52 -1.26 -5.01 119.66 117.39 4rub s GLN 30 Ca 0.78 -1.21 -0.29 0.00 -1.95 0.00 0.00 55.36 52.70 4rub s GLN 30 Cb -1.08 -3.53 -0.10 0.00 -0.22 0.00 0.00 33.01 28.08 4rub s GLN 30 CO 0.56 -0.71 1.37 0.95 -0.25 0.00 0.00 175.29 177.21 4rub s THR 31 N 1.42 2.51 0.19 -0.19 -4.23 -1.26 -5.01 115.64 109.07 4rub s THR 31 Ca -0.00 0.51 -0.09 0.00 -1.18 0.00 0.00 61.69 60.93 4rub s THR 31 Cb -0.20 -3.33 -0.07 0.00 1.34 0.00 0.00 72.50 70.25 4rub s THR 31 CO 0.03 0.12 0.50 -0.54 -0.54 0.00 0.00 174.62 174.19 4rub s LYS 32 N -1.78 3.77 0.16 3.99 3.01 -1.26 -4.97 119.74 122.67 4rub s LYS 32 Ca 0.51 0.20 0.09 0.00 -1.01 0.00 0.00 55.97 55.76 4rub s LYS 32 Cb -0.42 -2.74 0.51 0.00 -1.01 0.00 0.00 37.83 34.17 4rub s LYS 32 CO 0.55 0.38 1.24 -0.25 0.51 0.00 0.00 175.35 177.78 4rub n ASP 33 N 0.07 0.25 -0.74 2.83 8.00 -1.26 -0.60 116.55 125.09 4rub n ASP 33 Ca -0.01 0.56 0.06 0.00 0.71 0.00 0.00 54.79 56.11 4rub n ASP 33 Cb 0.52 -0.57 0.18 0.00 -0.02 0.00 0.00 41.12 41.23 4rub n ASP 33 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 4rub n THR 34 N -1.81 1.10 -2.72 -3.53 -2.24 -1.26 -4.64 114.28 99.17 4rub n THR 34 Ca -0.01 -1.06 -0.35 0.00 -2.27 0.00 0.00 64.05 60.37 4rub n THR 34 Cb 0.11 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.06 6.91 -0.07 3.42 1.01 0.23 -3.33 116.67 123.78 4rub s ASP 35 Ca 0.27 1.82 -0.19 0.00 0.71 0.00 0.00 52.55 55.16 4rub s ASP 35 Cb 0.15 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 4rub s ASP 35 CO 0.17 -0.38 0.54 -0.63 0.21 0.00 0.00 175.17 175.08 4rub s ILE 36 N -1.94 5.08 0.06 0.77 1.09 0.37 -4.38 121.20 122.26 4rub s ILE 36 Ca 0.59 1.10 0.08 0.00 -1.10 0.00 0.00 60.65 61.32 4rub s ILE 36 Cb -0.14 -3.88 -0.03 0.00 -1.06 0.00 0.00 42.46 37.35 4rub s ILE 36 CO 0.19 0.35 -0.19 -0.76 -0.10 0.00 0.00 174.94 174.44 4rub s LEU 37 N 0.32 2.61 -0.02 2.97 1.43 -0.84 -0.75 118.68 124.40 4rub s LEU 37 Ca 0.29 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 4rub s LEU 37 Cb -0.16 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.56 4rub s LEU 37 CO 0.14 0.24 -0.02 0.00 0.23 0.00 0.00 176.35 176.93 4rub s ALA 38 N -0.98 0.38 -0.69 4.21 0.00 0.26 0.48 121.76 125.43 4rub s ALA 38 Ca 0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 4rub s ALA 38 Cb -0.10 -0.23 0.17 0.00 0.00 0.00 0.00 23.12 22.95 4rub s ALA 38 CO 0.06 0.01 0.66 0.00 0.00 0.00 0.00 175.76 176.49 4rub s ALA 39 N 0.53 3.83 0.08 0.00 0.00 -0.49 -0.15 121.76 125.55 4rub s ALA 39 Ca -0.06 -2.89 -0.12 0.00 0.00 0.00 0.00 51.96 48.89 4rub s ALA 39 Cb -0.09 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 4rub s ALA 39 CO -0.01 -2.20 0.45 -0.06 0.00 0.00 0.00 175.76 173.94 4rub s PHE 40 N 1.05 3.63 -0.53 0.00 0.08 -0.06 -1.13 117.98 121.02 4rub s PHE 40 Ca 0.12 0.92 -0.09 0.00 0.12 0.00 0.00 56.93 58.00 4rub s PHE 40 Cb -0.19 -2.26 0.14 0.00 -0.57 0.00 0.00 43.02 40.14 4rub s PHE 40 CO -0.03 0.53 0.41 0.50 -0.10 0.00 0.00 175.22 176.52 4rub s ARG 41 N -1.71 2.62 0.02 0.44 3.52 0.87 -0.33 118.95 124.38 4rub s ARG 41 Ca 0.32 -1.94 -0.05 0.00 -0.13 0.00 0.00 55.73 53.93 4rub s ARG 41 Cb -0.15 -3.97 -0.05 0.00 -1.56 0.00 0.00 34.95 29.23 4rub s ARG 41 CO 0.17 -1.21 0.26 0.54 -0.81 0.00 0.00 175.30 174.26 4rub s VAL 42 N 1.06 5.31 -0.30 7.11 0.11 0.37 -2.50 120.40 131.56 4rub s VAL 42 Ca 0.08 0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 4rub s VAL 42 Cb -0.24 -3.57 0.10 0.00 -1.53 0.00 0.00 36.38 31.14 4rub s VAL 42 CO -0.02 0.31 0.11 -0.89 -3.33 0.00 0.00 175.10 171.28 4rub s THR 43 N -1.36 0.49 0.98 5.04 2.01 -1.13 0.11 115.64 121.78 4rub s THR 43 Ca 0.29 -1.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.00 4rub s THR 43 Cb -0.13 -1.39 0.19 0.00 0.01 0.00 0.00 72.50 71.18 4rub s THR 43 CO 0.18 -0.70 1.22 -2.16 -0.69 0.00 0.00 174.62 172.47 4rub s PRO 44 N 1.81 0.56 0.04 4.92 0.05 -1.25 -2.02 135.00 139.10 4rub s PRO 44 Ca 0.10 -0.12 -0.19 0.00 0.05 0.00 0.00 61.00 60.83 4rub s PRO 44 Cb -0.17 -1.81 -0.06 0.00 0.05 0.00 0.00 34.50 32.51 4rub s PRO 44 CO -0.30 -2.51 0.55 -1.14 0.05 0.00 0.00 177.00 173.65 4rub s GLN 45 N -5.62 4.21 0.00 4.56 2.00 -0.91 -4.48 119.66 119.41 4rub s GLN 45 Ca 0.70 0.69 0.00 0.00 -2.00 0.00 0.00 55.36 54.74 4rub s GLN 45 Cb -0.08 -3.27 0.00 0.00 0.80 0.00 0.00 33.01 30.45 4rub s GLN 45 CO 0.53 0.55 0.00 -2.30 -0.50 0.00 0.00 175.29 173.57 4rub n PRO 46 N 2.09 0.00 -0.33 1.67 -0.02 -1.26 0.19 135.00 137.34 4rub n PRO 46 Ca -0.10 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.42 4rub n PRO 46 Cb 0.51 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.15 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 -0.35 1.83 3.52 -1.23 0.00 -1.26 -4.84 105.19 102.86 4rub n GLY 47 Ca 0.00 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.70 5.06 0.41 1.61 1.01 0.51 -5.03 120.40 122.28 4rub s VAL 48 Ca 0.22 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 4rub s VAL 48 Cb 0.16 -3.54 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 4rub s VAL 48 CO 0.08 0.09 1.44 -2.16 0.00 0.00 0.00 175.10 174.55 4rub s PRO 49 N 1.70 3.90 0.23 2.72 0.04 -1.26 -4.65 135.00 137.67 4rub s PRO 49 Ca 0.06 2.46 -0.08 0.00 0.04 0.00 0.00 61.00 63.48 4rub s PRO 49 Cb -0.17 -2.80 0.20 0.00 0.04 0.00 0.00 34.50 31.77 4rub s PRO 49 CO 0.09 -0.66 1.89 -1.00 0.04 0.00 0.00 177.00 177.36 4rub h PRO 50 N 2.65 1.18 0.00 0.56 0.13 -1.97 0.80 132.00 135.35 4rub h PRO 50 Ca -0.51 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 4rub h PRO 50 Cb 1.25 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.13 4rub h PRO 50 CO 0.63 0.81 0.00 -0.85 -0.23 0.00 0.00 178.00 178.35 4rub n GLU 51 N -4.43 0.26 -0.05 0.86 0.00 -1.26 -0.68 120.64 115.34 4rub n GLU 51 Ca 0.09 0.10 -0.04 0.00 0.00 0.00 0.00 57.16 57.31 4rub n GLU 51 Cb 0.04 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 29.96 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 -1.16 0.32 -0.31 3.44 4.07 0.18 -3.31 120.64 123.87 4rub n GLU 52 Ca 0.07 0.32 0.01 0.00 -0.06 0.00 0.00 57.16 57.51 4rub n GLU 52 Cb 0.07 -1.28 0.06 0.00 -0.06 0.00 0.00 31.44 30.23 4rub n GLU 52 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 4rub n ALA 53 N -3.40 -0.01 -0.14 4.31 0.00 -0.64 0.15 120.51 120.77 4rub n ALA 53 Ca -0.06 0.84 -0.05 0.00 0.00 0.00 0.00 53.44 54.16 4rub n ALA 53 Cb 0.24 -0.42 0.04 0.00 0.00 0.00 0.00 19.45 19.31 4rub n ALA 53 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 4rub h GLY 54 N 0.00 0.60 1.52 0.00 0.00 -1.11 -1.30 103.07 102.78 4rub h GLY 54 Ca 0.32 -0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 4rub h GLY 54 CO -0.82 0.08 -0.58 0.00 0.00 0.00 0.00 176.54 175.21 4rub h ALA 55 N 1.25 0.70 -0.29 3.60 0.00 0.13 -2.46 119.26 122.20 4rub h ALA 55 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.58 4rub h ALA 55 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 4rub h ALA 55 CO -0.16 0.70 0.18 0.00 0.00 0.00 0.00 179.25 179.97 4rub h ALA 56 N 0.99 0.36 -0.95 0.00 0.00 0.86 0.66 119.26 121.19 4rub h ALA 56 Ca -0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 4rub h ALA 56 Cb 1.12 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 4rub h ALA 56 CO 0.11 -0.15 0.61 0.28 0.00 0.00 0.00 179.25 180.10 4rub h VAL 57 N 0.38 1.14 -0.03 0.00 2.07 -1.21 -1.32 116.25 117.27 4rub h VAL 57 Ca 0.10 -0.40 -0.20 0.00 0.82 0.00 0.00 66.70 67.03 4rub h VAL 57 Cb -0.02 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.61 4rub h VAL 57 CO -0.02 0.21 -0.82 0.00 0.02 0.00 0.00 177.57 176.96 4rub h ALA 58 N 1.40 0.53 0.00 1.67 0.00 -1.00 -3.27 119.26 118.60 4rub h ALA 58 Ca 0.39 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 4rub h ALA 58 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 4rub h ALA 58 CO -0.14 0.82 -0.00 0.00 0.00 0.00 0.00 179.25 179.93 4rub h ALA 59 N 0.91 -0.00 0.00 0.00 0.00 -0.41 -3.11 119.26 116.65 4rub h ALA 59 Ca -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.45 4rub h ALA 59 Cb 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 4rub h ALA 59 CO 0.14 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.69 4rub n GLU 60 N -4.69 0.72 0.00 0.00 -0.58 -0.54 -1.55 120.64 114.00 4rub n GLU 60 Ca -0.09 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.67 4rub n GLU 60 Cb 0.40 -1.03 -0.00 0.00 -0.57 0.00 0.00 31.44 30.24 4rub n GLU 60 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 4rub n SER 61 N -0.53 0.79 0.00 1.62 2.88 -1.22 -4.58 113.62 112.58 4rub n SER 61 Ca 0.01 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 4rub n SER 61 Cb 0.01 0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 4rub n SER 61 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 4rub n SER 62 N -0.43 0.00 0.00 -3.46 3.41 -0.82 -4.47 113.62 107.85 4rub n SER 62 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 4rub n SER 62 Cb 0.09 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.63 0.00 -3.83 6.66 -2.24 -0.91 -4.92 114.28 107.42 4rub n THR 63 Ca 0.00 -0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.49 4rub n THR 63 Cb 0.00 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.71 2.30 0.00 3.38 0.00 -0.60 -5.04 107.32 105.65 4rub s GLY 64 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.11 4rub s GLY 64 CO 0.00 -1.86 0.00 -0.37 0.00 0.00 0.00 173.10 170.87 4rub n THR 65 N -1.61 0.00 1.20 0.90 5.66 -1.26 -3.93 114.28 115.25 4rub n THR 65 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 4rub n THR 65 Cb 0.64 0.00 0.56 0.00 -1.55 0.00 0.00 70.33 69.98 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 -4.22 1.09 4.27 -1.26 -4.95 117.44 112.38 4rub n TRP 66 Ca 0.00 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.44 4rub n TRP 66 Cb 0.00 -0.31 -0.06 0.00 -1.36 0.00 0.00 31.31 29.58 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 -1.27 0.00 -3.54 -1.67 5.66 -1.26 -4.55 114.28 107.65 4rub n THR 67 Ca 0.10 -2.08 -0.37 0.00 -3.05 0.00 0.00 64.05 58.66 4rub n THR 67 Cb 0.30 1.06 -0.08 0.00 -1.55 0.00 0.00 70.33 70.06 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 -3.14 5.29 -0.11 1.09 2.01 -0.68 -4.88 115.64 115.22 4rub s THR 68 Ca 0.34 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.80 4rub s THR 68 Cb 0.01 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 4rub s THR 68 CO 0.24 0.33 -0.11 0.68 -0.69 0.00 0.00 174.62 175.07 4rub s VAL 69 N 0.96 3.24 0.39 3.82 -7.23 -1.26 -4.38 120.40 115.95 4rub s VAL 69 Ca 0.14 -0.61 0.07 0.00 -1.81 0.00 0.00 61.98 59.77 4rub s VAL 69 Cb -0.14 -2.35 0.28 0.00 0.56 0.00 0.00 36.38 34.74 4rub s VAL 69 CO 0.05 0.54 2.02 4.11 -0.31 0.00 0.00 175.10 181.51 4rub h TRP 70 N 6.27 0.60 -1.09 2.82 5.08 -1.98 -2.91 115.95 124.74 4rub h TRP 70 Ca -0.33 0.01 0.31 0.00 1.08 0.00 0.00 58.89 59.97 4rub h TRP 70 Cb 1.19 -0.20 -0.04 0.00 -3.00 0.00 0.00 29.16 27.11 4rub h TRP 70 CO 0.51 0.35 1.01 1.79 -1.28 0.00 0.00 178.44 180.83 4rub h THR 71 N 0.62 0.16 -0.97 0.12 1.35 -2.02 0.33 112.91 112.50 4rub h THR 71 Ca 0.22 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.20 4rub h THR 71 Cb 0.10 0.22 -0.08 0.00 -1.73 0.00 0.00 68.15 66.67 4rub h THR 71 CO -0.06 0.00 0.62 0.44 -0.25 0.00 0.00 175.52 176.27 4rub h ASP 72 N 0.00 0.87 0.00 5.36 3.32 -1.88 0.21 116.42 124.31 4rub h ASP 72 Ca 0.52 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.61 4rub h ASP 72 Cb 2.54 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.95 4rub h ASP 72 CO -0.01 0.47 0.00 0.61 -1.72 0.00 0.00 179.24 178.60 4rub n GLY 73 N -1.37 -0.41 0.08 2.75 0.00 0.12 -1.80 105.19 104.56 4rub n GLY 73 Ca 0.18 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 0.10 0.00 0.99 4.07 -0.73 1.23 115.31 120.97 4rub h LEU 74 Ca 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.81 4rub h LEU 74 Cb 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.71 4rub h LEU 74 CO 0.00 1.13 0.00 1.07 -1.08 0.00 0.00 178.44 179.56 4rub n THR 75 N -3.24 0.00 -3.52 0.22 5.66 -0.74 -4.78 114.28 107.88 4rub n THR 75 Ca -0.12 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.65 4rub n THR 75 Cb 1.02 -0.10 -0.14 0.00 -1.55 0.00 0.00 70.33 69.55 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 0.73 2.23 0.67 1.09 1.04 -1.26 -3.48 113.70 114.71 4rub s SER 76 Ca 0.00 -0.69 0.40 0.00 0.48 0.00 0.00 55.95 56.14 4rub s SER 76 Cb 0.00 0.06 2.18 0.00 0.10 0.00 0.00 66.02 68.36 4rub s SER 76 CO 0.00 -0.37 2.23 -0.07 0.98 0.00 0.00 173.24 176.00 4rub h LEU 77 N 8.36 0.00 -1.61 2.42 -0.00 -1.98 0.80 115.31 123.29 4rub h LEU 77 Ca -0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.67 4rub h LEU 77 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 4rub h LEU 77 CO 0.33 0.00 -0.22 0.44 -0.00 0.00 0.00 178.44 179.00 4rub h ASP 78 N 0.00 0.00 0.16 -0.43 3.32 -1.96 0.84 116.42 118.36 4rub h ASP 78 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 4rub h ASP 78 Cb 0.22 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.80 4rub h ASP 78 CO 0.00 0.22 -1.25 0.03 -1.72 0.00 0.00 179.24 176.52 4rub h ARG 79 N 0.00 0.56 0.00 3.56 3.08 -1.28 -3.41 114.38 116.90 4rub h ARG 79 Ca -0.00 -0.82 -0.37 0.00 0.07 0.00 0.00 59.98 58.86 4rub h ARG 79 Cb 0.43 0.28 -0.07 0.00 0.08 0.00 0.00 29.97 30.69 4rub h ARG 79 CO 0.03 1.38 -2.36 0.66 -1.07 0.00 0.00 179.97 178.61 4rub n TYR 80 N -3.83 0.10 -1.58 3.04 4.01 -1.09 -4.82 117.16 112.99 4rub n TYR 80 Ca -0.15 0.03 -0.42 0.00 -0.16 0.00 0.00 57.90 57.20 4rub n TYR 80 Cb 0.99 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 -2.92 1.24 -2.18 -0.72 2.85 0.29 -4.65 118.16 112.07 4rub n LYS 81 Ca -0.35 0.44 -0.32 0.00 -1.05 0.00 0.00 58.31 57.03 4rub n LYS 81 Cb 1.11 -1.90 -0.01 0.00 -0.65 0.00 0.00 35.03 33.57 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 -0.71 1.96 -0.23 2.58 0.00 -1.26 -4.64 107.32 105.02 4rub s GLY 82 Ca 0.62 0.14 -0.10 0.00 0.00 0.00 0.00 44.72 45.38 4rub s GLY 82 CO 0.58 0.42 0.52 1.09 0.00 0.00 0.00 173.10 175.71 4rub s ARG 83 N -4.38 0.48 -0.71 2.90 1.70 -0.09 -4.72 118.95 114.13 4rub s ARG 83 Ca 0.59 1.08 -0.26 0.00 -0.47 0.00 0.00 55.73 56.66 4rub s ARG 83 Cb -0.11 0.28 -0.00 0.00 -0.57 0.00 0.00 34.95 34.54 4rub s ARG 83 CO 0.39 -0.19 1.64 0.00 -1.08 0.00 0.00 175.30 176.06 4rub n TYR 85 N 11.47 1.32 0.00 0.00 4.11 -0.80 -1.10 117.16 132.16 4rub n TYR 85 Ca 0.17 -0.68 0.00 0.00 -0.00 0.00 0.00 57.90 57.39 4rub n TYR 85 Cb 0.50 -0.27 0.00 0.00 -0.00 0.00 0.00 39.34 39.57 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 0.59 0.00 -4.37 -3.48 1.85 -1.25 -4.44 116.66 105.56 4rub n ARG 86 Ca 0.23 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.84 4rub n ARG 86 Cb 0.88 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 32.17 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 -1.44 2.05 -0.09 8.89 1.01 -1.26 -0.39 121.20 129.97 4rub s ILE 87 Ca 0.00 -1.95 -0.16 0.00 0.00 0.00 0.00 60.65 58.54 4rub s ILE 87 Cb 0.00 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.56 4rub s ILE 87 CO 0.00 -0.21 0.41 -1.61 0.00 0.00 0.00 174.94 173.52 4rub s GLU 88 N -2.69 0.62 0.24 2.79 2.02 -0.69 -4.94 118.70 116.05 4rub s GLU 88 Ca 0.17 0.24 -0.16 0.00 0.02 0.00 0.00 54.97 55.25 4rub s GLU 88 Cb -0.07 0.29 -0.08 0.00 0.10 0.00 0.00 34.13 34.37 4rub s GLU 88 CO 0.08 -0.14 0.67 1.03 0.02 0.00 0.00 175.26 176.92 4rub s ARG 89 N -0.54 4.06 -0.58 1.61 0.52 -1.26 0.11 118.95 122.87 4rub s ARG 89 Ca -0.07 0.65 -0.23 0.00 -0.52 0.00 0.00 55.73 55.56 4rub s ARG 89 Cb -0.04 -2.72 0.05 0.00 0.52 0.00 0.00 34.95 32.76 4rub s ARG 89 CO 0.03 0.33 0.93 0.08 0.02 0.00 0.00 175.30 176.69 4rub s VAL 90 N -1.69 4.39 0.11 3.52 1.01 0.76 -4.82 120.40 123.69 4rub s VAL 90 Ca 0.46 0.09 -0.32 0.00 0.00 0.00 0.00 61.98 62.21 4rub s VAL 90 Cb -0.14 -4.56 -0.11 0.00 0.00 0.00 0.00 36.38 31.57 4rub s VAL 90 CO 0.19 -1.18 1.82 0.55 0.00 0.00 0.00 175.10 176.48 4rub n VAL 91 N 6.10 0.34 -2.83 2.92 3.14 -1.26 -1.27 118.33 125.47 4rub n VAL 91 Ca -0.00 -0.06 -0.02 0.00 -2.96 0.00 0.00 64.34 61.30 4rub n VAL 91 Cb 0.47 -2.06 0.00 0.00 -1.06 0.00 0.00 33.84 31.19 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 4.18 -1.16 3.64 7.55 0.00 -1.26 -5.04 105.19 113.10 4rub n GLY 92 Ca 0.18 0.57 -0.06 0.00 0.00 0.00 0.00 46.02 46.71 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 -2.86 0.46 -0.42 1.61 2.56 -0.39 -5.12 118.70 114.54 4rub s GLU 93 Ca 0.05 0.67 -0.40 0.00 0.00 0.00 0.00 54.97 55.29 4rub s GLU 93 Cb -0.02 0.16 -0.15 0.00 2.00 0.00 0.00 34.13 36.12 4rub s GLU 93 CO 0.66 -0.07 2.13 1.63 -0.56 0.00 0.00 175.26 179.05 4rub n LYS 94 N 3.01 0.57 -0.97 4.30 4.01 -1.26 -3.67 118.16 124.14 4rub n LYS 94 Ca -0.16 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 4rub n LYS 94 Cb 0.57 -1.98 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 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 8.37 0.00 -4.08 4.39 2.03 -1.26 -4.82 116.55 121.18 4rub n ASP 95 Ca 0.46 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.55 4rub n ASP 95 Cb 0.09 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.34 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 -1.06 1.18 0.17 -0.67 0.74 -1.24 -3.86 119.66 114.92 4rub s GLN 96 Ca 0.00 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 54.95 4rub s GLN 96 Cb 0.00 -1.11 -0.04 0.00 1.10 0.00 0.00 33.01 32.95 4rub s GLN 96 CO 0.00 0.25 0.04 0.71 -0.55 0.00 0.00 175.29 175.73 4rub s TYR 97 N -0.15 1.15 -0.44 1.67 2.02 0.30 -0.17 117.35 121.73 4rub s TYR 97 Ca 0.02 -1.12 -0.10 0.00 -0.37 0.00 0.00 57.07 55.50 4rub s TYR 97 Cb -0.07 -0.65 0.09 0.00 -0.40 0.00 0.00 41.96 40.93 4rub s TYR 97 CO 0.00 -0.34 0.31 0.42 -1.57 0.00 0.00 175.55 174.37 4rub s ILE 98 N -3.81 4.39 0.09 2.71 -1.09 0.12 0.14 121.20 123.75 4rub s ILE 98 Ca 0.26 -1.46 -0.19 0.00 -2.23 0.00 0.00 60.65 57.03 4rub s ILE 98 Cb 0.07 -3.74 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 4rub s ILE 98 CO 0.05 -0.60 0.58 0.00 -1.23 0.00 0.00 174.94 173.74 4rub s ALA 99 N 1.44 3.58 -0.15 9.38 0.00 0.54 -1.71 121.76 134.85 4rub s ALA 99 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 4rub s ALA 99 Cb -0.24 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 4rub s ALA 99 CO 0.02 0.40 -0.11 0.71 0.00 0.00 0.00 175.76 176.78 4rub s TYR 100 N -1.16 2.86 0.04 0.00 1.51 0.47 -0.88 117.35 120.20 4rub s TYR 100 Ca 0.30 -0.68 0.08 0.00 -1.01 0.00 0.00 57.07 55.76 4rub s TYR 100 Cb -0.19 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 4rub s TYR 100 CO 0.19 -0.27 -0.23 0.08 -1.11 0.00 0.00 175.55 174.22 4rub s VAL 101 N 0.57 1.85 -0.15 0.71 1.01 0.79 -1.90 120.40 123.28 4rub s VAL 101 Ca -0.07 -1.25 -0.00 0.00 0.00 0.00 0.00 61.98 60.66 4rub s VAL 101 Cb -0.15 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 4rub s VAL 101 CO 0.03 0.29 -0.13 0.00 0.00 0.00 0.00 175.10 175.29 4rub s ALA 102 N -0.78 2.59 -0.17 5.51 0.00 -0.68 0.93 121.76 129.17 4rub s ALA 102 Ca 0.09 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.07 4rub s ALA 102 Cb -0.09 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.77 4rub s ALA 102 CO 0.02 0.06 -0.18 0.71 0.00 0.00 0.00 175.76 176.37 4rub s TYR 103 N 0.67 2.55 0.35 0.00 2.02 0.07 -0.91 117.35 122.09 4rub s TYR 103 Ca -0.07 -1.49 -0.28 0.00 -0.37 0.00 0.00 57.07 54.86 4rub s TYR 103 Cb -0.15 -1.80 -0.10 0.00 -0.40 0.00 0.00 41.96 39.51 4rub s TYR 103 CO 0.02 -0.76 1.29 -1.25 -1.57 0.00 0.00 175.55 173.28 4rub s PRO 104 N 1.36 4.28 0.23 -1.71 0.04 -1.26 0.14 135.00 138.09 4rub s PRO 104 Ca 0.05 2.16 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 4rub s PRO 104 Cb -0.13 -3.00 0.32 0.00 0.04 0.00 0.00 34.50 31.73 4rub s PRO 104 CO -0.12 -0.23 1.61 1.25 0.04 0.00 0.00 177.00 179.55 4rub h LEU 105 N 3.23 -0.66 -0.19 -3.56 5.85 -1.91 -2.41 115.31 115.66 4rub h LEU 105 Ca -0.49 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.46 4rub h LEU 105 Cb 1.23 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 42.71 4rub h LEU 105 CO 0.65 -0.24 0.96 0.44 -0.34 0.00 0.00 178.44 179.91 4rub h ASP 106 N 0.01 0.00 1.52 1.25 5.19 -1.91 -2.26 116.42 120.21 4rub h ASP 106 Ca 0.36 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.71 4rub h ASP 106 Cb 0.56 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 4rub h ASP 106 CO -0.76 0.00 -0.30 -0.07 -3.12 0.00 0.00 179.24 174.99 4rub h LEU 107 N 0.00 0.00 -9.06 1.55 3.38 -1.80 -3.46 115.31 105.91 4rub h LEU 107 Ca 0.02 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.32 4rub h LEU 107 Cb 1.95 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 42.51 4rub h LEU 107 CO -0.00 0.30 -0.67 -0.36 0.09 0.00 0.00 178.44 177.80 4rub s PHE 108 N -3.17 3.03 0.15 1.13 0.08 -0.85 -5.03 117.98 113.32 4rub s PHE 108 Ca 0.04 -0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 4rub s PHE 108 Cb 0.07 -1.81 -0.08 0.00 -0.57 0.00 0.00 43.02 40.63 4rub s PHE 108 CO 0.70 0.25 1.26 -2.00 -0.10 0.00 0.00 175.22 175.32 4rub s GLU 109 N -0.44 4.43 0.52 0.44 2.12 -1.26 -4.97 118.70 119.53 4rub s GLU 109 Ca 0.07 1.94 -0.22 0.00 0.36 0.00 0.00 54.97 57.12 4rub s GLU 109 Cb -0.12 -3.25 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 4rub s GLU 109 CO 0.02 -0.22 1.26 -1.21 -0.54 0.00 0.00 175.26 174.57 4rub s GLU 110 N 0.24 3.36 0.00 4.30 8.01 -1.26 -3.16 118.70 130.19 4rub s GLU 110 Ca 0.57 1.99 0.00 0.00 0.01 0.00 0.00 54.97 57.54 4rub s GLU 110 Cb -0.34 -2.27 0.00 0.00 -4.31 0.00 0.00 34.13 27.21 4rub s GLU 110 CO 0.35 -0.94 0.00 0.41 0.01 0.00 0.00 175.26 175.09 4rub n GLY 111 N 0.58 0.26 3.24 -1.39 0.00 -1.20 -4.94 105.19 101.74 4rub n GLY 111 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.20 6.15 0.27 1.61 0.15 -1.19 -4.92 113.70 113.57 4rub s SER 112 Ca 0.00 -2.67 -0.00 0.00 0.70 0.00 0.00 55.95 53.98 4rub s SER 112 Cb 0.00 -2.07 0.51 0.00 -1.71 0.00 0.00 66.02 62.74 4rub s SER 112 CO 0.00 -0.52 1.83 0.58 1.20 0.00 0.00 173.24 176.33 4rub h VAL 113 N 5.08 0.92 -1.01 4.45 2.07 -1.92 0.40 116.25 126.24 4rub h VAL 113 Ca 0.03 -0.33 0.23 0.00 0.82 0.00 0.00 66.70 67.45 4rub h VAL 113 Cb 1.01 -0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.56 4rub h VAL 113 CO 0.76 0.17 0.62 0.74 0.02 0.00 0.00 177.57 179.88 4rub h THR 114 N 0.95 0.60 0.38 2.57 2.02 -1.92 -0.98 112.91 116.53 4rub h THR 114 Ca 0.47 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 4rub h THR 114 Cb 0.44 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 4rub h THR 114 CO -0.26 0.11 -0.18 -1.13 0.37 0.00 0.00 175.52 174.43 4rub h ASN 115 N 0.60 -0.43 -0.99 4.18 -0.73 -0.59 -2.43 115.58 115.19 4rub h ASN 115 Ca 0.60 0.01 0.12 0.00 1.87 0.00 0.00 56.30 58.91 4rub h ASN 115 Cb 1.17 0.11 -0.14 0.00 0.27 0.00 0.00 38.32 39.73 4rub h ASN 115 CO -0.39 -0.08 -0.49 -0.03 -0.37 0.00 0.00 177.43 176.07 4rub h MET 116 N -0.97 -0.01 -0.59 6.67 4.05 -0.46 0.20 114.93 123.82 4rub h MET 116 Ca -0.05 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 4rub h MET 116 Cb 0.39 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 4rub h MET 116 CO 0.09 -0.01 0.25 0.74 0.23 0.00 0.00 176.91 178.21 4rub h PHE 117 N -0.01 0.84 -0.87 1.39 -1.00 -1.33 -1.97 116.94 114.00 4rub h PHE 117 Ca 0.25 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 61.01 4rub h PHE 117 Cb 0.50 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.76 4rub h PHE 117 CO -0.95 0.64 0.57 1.15 -1.61 0.00 0.00 178.31 178.11 4rub h THR 118 N 0.84 1.19 0.00 -1.55 2.02 -0.11 -2.04 112.91 113.26 4rub h THR 118 Ca 0.20 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.99 4rub h THR 118 Cb 0.14 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 4rub h THR 118 CO -0.02 0.21 0.00 -1.20 0.37 0.00 0.00 175.52 174.88 4rub n SER 119 N -4.50 0.00 0.11 4.18 7.64 -0.90 -1.40 113.62 118.74 4rub n SER 119 Ca 0.10 0.57 0.20 0.00 1.01 0.00 0.00 58.87 60.75 4rub n SER 119 Cb 0.04 -0.38 0.76 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.39 0.00 0.44 2.04 -1.41 -3.05 117.51 115.92 4rub h ILE 120 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 4rub h ILE 120 Cb 0.00 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 4rub h ILE 120 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 178.15 178.67 4rub n VAL 121 N -3.73 0.17 0.36 1.67 0.31 -0.78 -4.89 118.33 111.43 4rub n VAL 121 Ca 0.06 -0.31 -0.16 0.00 -0.01 0.00 0.00 64.34 63.92 4rub n VAL 121 Cb 0.57 1.26 -0.08 0.00 -0.91 0.00 0.00 33.84 34.69 4rub n VAL 121 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 4rub h GLY 122 N 0.00 -1.15 0.00 2.92 0.00 -1.07 -3.43 103.07 100.34 4rub h GLY 122 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 4rub h GLY 122 CO 0.00 -0.39 -1.40 0.70 0.00 0.00 0.00 176.54 175.45 4rub n ASN 123 N -4.94 3.44 -0.30 0.19 3.02 -1.26 -4.81 115.26 110.60 4rub n ASN 123 Ca -0.12 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.52 4rub n ASN 123 Cb 0.41 0.86 0.25 0.00 -0.61 0.00 0.00 39.78 40.69 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 0.65 0.00 2.41 -1.51 -1.82 -2.77 116.25 113.22 4rub h VAL 124 Ca -0.12 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 4rub h VAL 124 Cb 1.05 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.26 4rub h VAL 124 CO 0.01 0.10 0.11 0.49 -1.23 0.00 0.00 177.57 177.05 4rub n PHE 125 N -4.92 0.01 -0.47 5.19 3.01 -1.26 -1.00 117.46 118.02 4rub n PHE 125 Ca 0.18 0.01 0.06 0.00 1.01 0.00 0.00 57.45 58.71 4rub n PHE 125 Cb 0.50 -0.40 0.17 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.39 3.33 3.77 1.37 0.00 -1.04 -4.70 105.19 106.51 4rub n GLY 126 Ca -0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.69 2.43 0.17 1.61 0.40 -0.17 -4.90 117.98 115.83 4rub s PHE 127 Ca 0.27 1.25 -0.12 0.00 -0.60 0.00 0.00 56.93 57.73 4rub s PHE 127 Cb 0.18 -3.94 0.08 0.00 0.51 0.00 0.00 43.02 39.85 4rub s PHE 127 CO 0.11 -3.01 1.73 0.87 0.70 0.00 0.00 175.22 175.62 4rub h LYS 128 N 2.31 0.90 0.00 0.44 1.57 -1.96 -2.91 116.57 116.92 4rub h LYS 128 Ca -0.51 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 4rub h LYS 128 Cb 1.27 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.43 4rub h LYS 128 CO 0.61 0.77 0.15 0.00 -0.57 0.00 0.00 179.45 180.41 4rub n ALA 129 N -2.37 0.80 -2.52 3.86 0.00 -1.26 -4.60 120.51 114.42 4rub n ALA 129 Ca 0.04 0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.32 4rub n ALA 129 Cb 0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.71 2.76 -0.01 0.00 1.43 -1.10 -2.15 118.68 115.91 4rub s LEU 130 Ca -0.01 -0.79 0.06 0.00 -1.03 0.00 0.00 54.13 52.36 4rub s LEU 130 Cb 0.03 -1.38 -0.10 0.00 0.03 0.00 0.00 46.19 44.77 4rub s LEU 130 CO 0.10 0.07 0.16 -2.11 0.23 0.00 0.00 176.35 174.80 4rub n ARG 131 N -0.24 0.76 -3.62 1.70 1.85 -0.85 -4.78 116.66 111.48 4rub n ARG 131 Ca -0.09 -0.05 -0.16 0.00 -1.00 0.00 0.00 57.85 56.55 4rub n ARG 131 Cb 0.57 -1.11 -0.07 0.00 -1.05 0.00 0.00 32.46 30.80 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 -2.35 -1.49 -0.04 2.89 0.00 -1.18 -5.08 121.76 114.51 4rub s ALA 132 Ca -0.02 1.29 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 4rub s ALA 132 Cb 0.04 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.81 4rub s ALA 132 CO 0.27 -0.32 0.19 -1.17 0.00 0.00 0.00 175.76 174.73 4rub s LEU 133 N -0.64 1.29 -0.13 0.00 2.96 -1.24 -2.85 118.68 118.08 4rub s LEU 133 Ca -0.07 0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 4rub s LEU 133 Cb -0.03 0.76 0.05 0.00 0.50 0.00 0.00 46.19 47.48 4rub s LEU 133 CO 0.05 -0.23 0.31 -0.60 -1.32 0.00 0.00 176.35 174.57 4rub s ARG 134 N -0.61 0.26 -0.16 1.98 3.52 -1.04 -2.15 118.95 120.75 4rub s ARG 134 Ca -0.07 0.66 -0.25 0.00 -0.13 0.00 0.00 55.73 55.95 4rub s ARG 134 Cb -0.04 -0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.27 4rub s ARG 134 CO 0.01 -0.18 0.79 -1.17 -0.81 0.00 0.00 175.30 173.94 4rub s LEU 135 N 1.52 4.19 -0.20 -0.88 2.96 0.16 -0.09 118.68 126.34 4rub s LEU 135 Ca -0.08 1.14 0.04 0.00 -0.22 0.00 0.00 54.13 55.01 4rub s LEU 135 Cb -0.10 -3.18 -0.21 0.00 0.50 0.00 0.00 46.19 43.20 4rub s LEU 135 CO -0.10 -0.35 0.04 -0.62 -1.32 0.00 0.00 176.35 174.00 4rub n GLU 136 N 5.02 0.68 -3.45 1.98 -0.58 -0.29 -0.76 120.64 123.25 4rub n GLU 136 Ca 0.03 0.16 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 4rub n GLU 136 Cb 0.49 -1.59 -0.03 0.00 -0.57 0.00 0.00 31.44 29.75 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 -6.43 -0.55 -0.03 1.62 -1.08 -1.18 -4.57 116.67 104.44 4rub s ASP 137 Ca -0.25 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.83 4rub s ASP 137 Cb 0.08 0.58 0.03 0.00 -1.46 0.00 0.00 42.92 42.14 4rub s ASP 137 CO 0.70 -0.92 -0.00 -0.76 0.52 0.00 0.00 175.17 174.71 4rub s LEU 138 N -2.58 1.12 -0.45 -1.34 1.43 -1.26 -1.40 118.68 114.21 4rub s LEU 138 Ca -0.00 -0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 4rub s LEU 138 Cb -0.01 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.97 4rub s LEU 138 CO -0.10 -0.10 0.63 -0.60 0.23 0.00 0.00 176.35 176.40 4rub s ARG 139 N 1.10 3.25 -0.27 1.70 3.52 0.18 -4.93 118.95 123.50 4rub s ARG 139 Ca -0.09 -0.46 -0.18 0.00 -0.13 0.00 0.00 55.73 54.88 4rub s ARG 139 Cb -0.14 -3.97 -0.03 0.00 -1.56 0.00 0.00 34.95 29.26 4rub s ARG 139 CO -0.02 -1.03 0.51 0.42 -0.81 0.00 0.00 175.30 174.37 4rub s ILE 140 N 2.77 5.07 0.56 4.11 -1.09 -1.26 -1.98 121.20 129.39 4rub s ILE 140 Ca 0.21 0.83 -0.18 0.00 -2.23 0.00 0.00 60.65 59.28 4rub s ILE 140 Cb -0.15 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 4rub s ILE 140 CO 0.18 0.08 1.08 -2.16 -1.23 0.00 0.00 174.94 172.88 4rub s PRO 141 N 2.30 3.38 0.36 2.79 0.04 -1.26 -4.60 135.00 138.00 4rub s PRO 141 Ca 0.21 1.38 0.13 0.00 0.04 0.00 0.00 61.00 62.76 4rub s PRO 141 Cb -0.16 -2.03 0.94 0.00 0.04 0.00 0.00 34.50 33.30 4rub s PRO 141 CO 0.09 -0.78 1.78 -1.35 0.04 0.00 0.00 177.00 176.78 4rub h PRO 142 N 0.89 0.54 0.00 0.56 0.11 -1.82 1.26 132.00 133.53 4rub h PRO 142 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 4rub h PRO 142 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 4rub h PRO 142 CO 0.57 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 4rub h ALA 143 N 1.64 1.00 0.00 -0.75 0.00 -1.90 -0.37 119.26 118.88 4rub h ALA 143 Ca 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.34 4rub h ALA 143 Cb 1.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 4rub h ALA 143 CO -0.33 0.00 -1.88 0.98 0.00 0.00 0.00 179.25 178.02 4rub n TYR 144 N -2.43 0.00 0.06 0.00 9.36 0.36 -4.36 117.16 120.15 4rub n TYR 144 Ca -0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.10 4rub n TYR 144 Cb 0.14 -0.56 -0.07 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 0.98 0.00 2.97 2.07 0.16 -1.46 116.25 120.98 4rub h VAL 145 Ca -0.22 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.21 4rub h VAL 145 Cb 1.38 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 4rub h VAL 145 CO 0.01 0.02 0.04 0.29 0.02 0.00 0.00 177.57 177.95 4rub n LYS 146 N -5.10 0.00 -0.09 1.57 4.76 -0.24 -1.04 118.16 118.02 4rub n LYS 146 Ca -0.08 0.29 0.10 0.00 -2.87 0.00 0.00 58.31 55.76 4rub n LYS 146 Cb 0.07 -1.54 0.35 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.28 0.24 -4.27 -0.18 -2.24 -0.55 -4.92 114.28 101.09 4rub n THR 147 Ca 0.00 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 4rub n THR 147 Cb 0.04 0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.76 2.72 0.01 4.78 0.40 -0.21 -3.24 117.98 120.69 4rub s PHE 148 Ca 0.32 -0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.30 4rub s PHE 148 Cb 0.18 -1.27 -0.35 0.00 0.51 0.00 0.00 43.02 42.09 4rub s PHE 148 CO 0.26 0.56 0.91 0.37 0.70 0.00 0.00 175.22 178.02 4rub h GLN 149 N 2.42 0.51 0.00 0.44 4.15 -1.88 -3.50 115.11 117.24 4rub h GLN 149 Ca -0.46 -0.87 0.00 0.00 0.77 0.00 0.00 58.65 58.10 4rub h GLN 149 Cb 1.22 0.32 0.00 0.00 0.21 0.00 0.00 27.48 29.24 4rub h GLN 149 CO 0.58 1.41 0.00 0.41 -1.93 0.00 0.00 178.83 179.30 4rub n GLY 150 N 1.76 -1.37 3.77 2.39 0.00 -1.15 -4.88 105.19 105.70 4rub n GLY 150 Ca -0.19 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 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 4.14 0.24 1.61 0.02 -1.26 -4.18 135.00 135.57 4rub s PRO 151 Ca 0.00 2.28 -0.09 0.00 0.02 0.00 0.00 61.00 63.21 4rub s PRO 151 Cb 0.00 -2.92 0.39 0.00 0.02 0.00 0.00 34.50 31.99 4rub s PRO 151 CO 0.00 -0.39 1.62 -1.35 -0.33 0.00 0.00 177.00 176.54 4rub h PRO 152 N 3.01 0.04 0.00 5.54 0.11 -1.83 -3.40 132.00 135.48 4rub h PRO 152 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 4rub h PRO 152 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 4rub h PRO 152 CO 0.64 0.03 -0.54 0.72 -0.21 0.00 0.00 178.00 178.64 4rub n HIS 153 N -5.43 0.00 -0.13 0.65 8.25 -1.26 -4.77 115.22 112.52 4rub n HIS 153 Ca 0.12 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.60 4rub n HIS 153 Cb 0.44 0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 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 2.41 -2.63 0.38 -1.41 0.00 -1.26 -4.33 105.19 98.35 4rub n GLY 154 Ca 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.25 -0.53 0.22 -0.61 5.41 -0.68 -1.97 119.36 118.95 4rub n ILE 155 Ca -0.01 2.34 -0.15 0.00 1.00 0.00 0.00 62.75 65.94 4rub n ILE 155 Cb 0.06 -3.09 -0.08 0.00 -0.71 0.00 0.00 39.64 35.82 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 -0.52 -0.99 0.38 4.15 -1.88 -2.24 115.11 114.02 4rub h GLN 156 Ca 0.35 0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.94 4rub h GLN 156 Cb 0.60 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 28.32 4rub h GLN 156 CO -0.99 -0.26 0.61 0.28 -1.93 0.00 0.00 178.83 176.54 4rub h VAL 157 N -0.70 0.86 -0.08 2.39 2.07 -1.67 0.24 116.25 119.36 4rub h VAL 157 Ca -0.05 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 4rub h VAL 157 Cb 0.50 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 4rub h VAL 157 CO 0.09 0.17 0.02 -0.08 0.02 0.00 0.00 177.57 177.79 4rub h GLU 158 N 0.91 0.13 0.05 1.57 4.81 -1.38 -0.74 114.58 119.94 4rub h GLU 158 Ca 0.51 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.71 4rub h GLU 158 Cb 0.58 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 4rub h GLU 158 CO -0.30 0.32 -0.07 0.00 -0.73 0.00 0.00 179.01 178.24 4rub h ARG 159 N -0.08 -0.14 -0.34 1.92 3.08 -0.53 -2.04 114.38 116.25 4rub h ARG 159 Ca 0.03 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.18 4rub h ARG 159 Cb 0.25 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 4rub h ARG 159 CO 0.00 -0.09 0.24 -0.44 -1.07 0.00 0.00 179.97 178.61 4rub h ASP 160 N -0.15 0.03 0.01 7.04 3.32 -0.82 0.12 116.42 125.97 4rub h ASP 160 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 4rub h ASP 160 Cb 0.15 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.70 4rub h ASP 160 CO -0.03 0.02 -0.03 0.11 -1.72 0.00 0.00 179.24 177.58 4rub h LYS 161 N 0.03 0.01 0.00 3.56 1.79 -0.94 -3.34 116.57 117.68 4rub h LYS 161 Ca 0.16 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 4rub h LYS 161 Cb 0.60 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 4rub h LYS 161 CO -0.01 1.01 0.00 1.28 -1.08 0.00 0.00 179.45 180.65 4rub n LEU 162 N -4.59 0.78 -2.95 2.94 4.77 -0.78 -4.94 117.00 112.23 4rub n LEU 162 Ca -0.10 0.59 -0.16 0.00 -0.03 0.00 0.00 56.01 56.31 4rub n LEU 162 Cb 0.49 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 4rub n LEU 162 CO 0.35 -0.25 0.13 -3.20 -1.33 0.00 0.00 177.39 173.09 4rub n ASN 163 N -2.25 -3.47 -3.96 -1.43 4.05 0.40 -4.65 115.26 103.95 4rub n ASN 163 Ca 0.05 -0.47 -0.29 0.00 0.45 0.00 0.00 54.58 54.32 4rub n ASN 163 Cb 0.39 -4.15 -0.16 0.00 1.23 0.00 0.00 39.78 37.09 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 1.84 0.19 1.20 1.02 -0.97 -5.03 119.74 112.52 4rub s LYS 164 Ca 0.19 -0.59 0.07 0.00 0.02 0.00 0.00 55.97 55.67 4rub s LYS 164 Cb -0.09 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.08 4rub s LYS 164 CO 0.58 -0.36 -0.14 0.71 -0.92 0.00 0.00 175.35 175.22 4rub s TYR 165 N 1.53 1.66 -0.80 3.18 2.02 -1.26 -4.73 117.35 118.95 4rub s TYR 165 Ca 0.02 -0.58 -0.02 0.00 -0.37 0.00 0.00 57.07 56.12 4rub s TYR 165 Cb -0.15 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 4rub s TYR 165 CO -0.09 0.32 0.71 0.41 -1.57 0.00 0.00 175.55 175.33 4rub n GLY 166 N -0.29 -1.24 0.00 0.71 0.00 -1.26 -5.02 105.19 98.09 4rub n GLY 166 Ca -0.09 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.16 0.00 -1.66 1.61 1.85 -1.26 -5.06 116.66 109.98 4rub n ARG 167 Ca -0.06 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.40 4rub n ARG 167 Cb 0.55 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.00 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 -1.65 1.25 -2.87 2.89 -0.02 -0.99 -4.77 135.00 128.83 4rub n PRO 168 Ca 0.00 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.58 4rub n PRO 168 Cb 0.00 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.13 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 -2.26 4.30 -0.07 2.45 2.01 -0.13 -4.90 118.68 120.08 4rub s LEU 169 Ca 0.72 1.71 -0.01 0.00 0.01 0.00 0.00 54.13 56.56 4rub s LEU 169 Cb -0.44 -3.96 -0.03 0.00 0.01 0.00 0.00 46.19 41.77 4rub s LEU 169 CO 0.49 -0.07 0.00 -0.76 1.01 0.00 0.00 176.35 177.02 4rub s LEU 170 N -2.16 3.56 0.19 1.79 1.43 -1.26 -0.29 118.68 121.94 4rub s LEU 170 Ca 0.50 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.70 4rub s LEU 170 Cb -0.17 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 4rub s LEU 170 CO 0.22 0.36 0.10 -0.83 0.23 0.00 0.00 176.35 176.43 4rub s GLY 171 N -1.04 1.35 -0.06 -3.19 0.00 -0.74 -1.69 107.32 101.94 4rub s GLY 171 Ca 0.15 -1.65 -0.06 0.00 0.00 0.00 0.00 44.72 43.15 4rub s GLY 171 CO 0.04 -1.41 0.17 0.00 0.00 0.00 0.00 173.10 171.90 4rub s THR 173 N 0.15 5.28 0.49 0.00 2.01 -1.26 -1.22 115.64 121.09 4rub s THR 173 Ca -0.01 -0.19 -0.24 0.00 0.31 0.00 0.00 61.69 61.56 4rub s THR 173 Cb -0.02 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 4rub s THR 173 CO -0.00 -0.01 1.37 -0.38 -0.69 0.00 0.00 174.62 174.91 4rub n ILE 174 N 5.11 3.17 -4.29 1.82 2.08 -1.12 -4.50 119.36 121.63 4rub n ILE 174 Ca -0.13 -0.50 -0.16 0.00 0.56 0.00 0.00 62.75 62.53 4rub n ILE 174 Cb 0.50 -1.72 -0.10 0.00 -0.75 0.00 0.00 39.64 37.57 4rub n ILE 174 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 4rub s LYS 175 N -2.58 1.17 0.64 0.38 -0.14 -1.26 -4.61 119.74 113.34 4rub s LYS 175 Ca 0.65 -1.52 -0.18 0.00 -1.36 0.00 0.00 55.97 53.57 4rub s LYS 175 Cb -0.44 -0.75 -0.01 0.00 -1.68 0.00 0.00 37.83 34.94 4rub s LYS 175 CO 0.54 0.08 1.28 -1.25 -0.76 0.00 0.00 175.35 175.24 4rub s PRO 176 N -3.74 2.60 0.00 -1.68 0.04 -1.26 -5.07 135.00 125.89 4rub s PRO 176 Ca 0.20 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.25 4rub s PRO 176 Cb 0.02 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.70 4rub s PRO 176 CO 0.03 -1.55 0.88 1.63 0.04 0.00 0.00 177.00 178.04 4rub n LYS 177 N -1.89 0.00 -4.24 4.56 5.02 -1.26 -4.64 118.16 115.71 4rub n LYS 177 Ca 0.15 0.82 -0.23 0.00 -2.02 0.00 0.00 58.31 57.03 4rub n LYS 177 Cb 0.48 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 4rub n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 4rub s LEU 178 N -4.84 3.37 0.00 -0.35 2.01 -1.26 -4.80 118.68 112.80 4rub s LEU 178 Ca 0.00 -0.52 0.00 0.00 0.01 0.00 0.00 54.13 53.62 4rub s LEU 178 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 46.19 44.30 4rub s LEU 178 CO 0.00 -0.00 0.00 0.61 1.01 0.00 0.00 176.35 177.97 4rub n GLY 179 N -0.90 0.81 3.90 -3.19 0.00 -1.26 -5.10 105.19 99.45 4rub n GLY 179 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 0.45 0.99 2.96 -1.26 -5.07 118.68 121.10 4rub s LEU 180 Ca 0.00 0.42 -0.20 0.00 -0.22 0.00 0.00 54.13 54.13 4rub s LEU 180 Cb 0.00 -2.80 -0.10 0.00 0.50 0.00 0.00 46.19 43.79 4rub s LEU 180 CO 0.00 0.21 0.97 -0.94 -1.32 0.00 0.00 176.35 175.27 4rub s SER 181 N -2.07 6.80 0.19 3.68 1.04 -1.26 -4.62 113.70 117.47 4rub s SER 181 Ca 0.31 1.71 -0.21 0.00 0.48 0.00 0.00 55.95 58.24 4rub s SER 181 Cb -0.13 -2.54 0.13 0.00 0.10 0.00 0.00 66.02 63.58 4rub s SER 181 CO 0.21 -0.46 1.57 0.00 0.98 0.00 0.00 173.24 175.54 4rub h ALA 182 N 1.72 -0.07 -0.71 5.32 0.00 -1.91 0.37 119.26 123.97 4rub h ALA 182 Ca -0.49 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.65 4rub h ALA 182 Cb 1.19 0.93 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 4rub h ALA 182 CO 0.61 -0.71 0.43 -0.22 0.00 0.00 0.00 179.25 179.36 4rub h LYS 183 N -0.12 0.79 -0.22 0.00 3.64 -1.93 -2.55 116.57 116.17 4rub h LYS 183 Ca 0.25 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 4rub h LYS 183 Cb 0.56 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 4rub h LYS 183 CO -0.79 0.52 -0.29 -0.91 -2.27 0.00 0.00 179.45 175.71 4rub h ASN 184 N 0.82 0.45 -0.82 4.20 2.35 -1.60 -2.38 115.58 118.60 4rub h ASN 184 Ca 0.30 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 4rub h ASN 184 Cb 0.10 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 4rub h ASN 184 CO -0.14 0.73 0.54 0.22 -1.65 0.00 0.00 177.43 177.13 4rub h TYR 185 N 0.39 1.03 -0.01 1.19 3.20 -0.57 0.24 116.97 122.43 4rub h TYR 185 Ca 0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 4rub h TYR 185 Cb 0.71 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 4rub h TYR 185 CO 0.02 0.65 -0.00 0.78 -1.64 0.00 0.00 178.16 177.96 4rub h GLY 186 N 1.11 0.02 0.09 1.82 0.00 -1.23 -1.94 103.07 102.94 4rub h GLY 186 Ca 0.30 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.65 4rub h GLY 186 CO -0.07 0.02 -0.39 -0.09 0.00 0.00 0.00 176.54 176.01 4rub h ARG 187 N -0.38 -0.47 -0.74 4.80 2.43 -1.11 0.21 114.38 119.12 4rub h ARG 187 Ca 0.00 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 4rub h ARG 187 Cb 0.41 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 4rub h ARG 187 CO 0.00 -0.31 0.36 0.00 -1.51 0.00 0.00 179.97 178.51 4rub h ALA 188 N 0.17 1.04 0.65 2.80 0.00 -0.53 -2.51 119.26 120.87 4rub h ALA 188 Ca 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 4rub h ALA 188 Cb 0.61 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.38 4rub h ALA 188 CO -0.37 -0.07 -0.31 0.28 0.00 0.00 0.00 179.25 178.79 4rub h VAL 189 N 0.59 0.31 -0.46 0.00 2.07 -0.36 -0.09 116.25 118.31 4rub h VAL 189 Ca 0.38 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.83 4rub h VAL 189 Cb 0.44 0.36 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 4rub h VAL 189 CO -0.30 0.02 -0.10 0.22 0.02 0.00 0.00 177.57 177.43 4rub h TYR 190 N -0.98 -0.22 0.53 1.57 3.20 -0.46 -1.36 116.97 119.25 4rub h TYR 190 Ca -0.09 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 4rub h TYR 190 Cb 0.70 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 4rub h TYR 190 CO -0.01 -0.19 -0.35 0.93 -1.64 0.00 0.00 178.16 176.90 4rub h GLU 191 N 0.01 -0.82 0.28 1.82 4.39 -1.41 0.16 114.58 119.01 4rub h GLU 191 Ca 0.22 0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 4rub h GLU 191 Cb 0.34 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 4rub h GLU 191 CO -0.46 -0.55 -0.22 0.00 -1.16 0.00 0.00 179.01 176.62 4rub h LEU 193 N -0.51 0.24 -2.53 0.00 4.07 -1.05 -2.89 115.31 112.64 4rub h LEU 193 Ca -0.02 0.08 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 4rub h LEU 193 Cb 0.45 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.24 4rub h LEU 193 CO -0.01 0.14 -0.00 0.08 -1.08 0.00 0.00 178.44 177.57 4rub h ARG 194 N 0.42 0.00 -0.06 1.13 0.11 -0.64 -2.02 114.38 113.32 4rub h ARG 194 Ca 0.31 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.26 4rub h ARG 194 Cb 0.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 4rub h ARG 194 CO -0.30 0.00 -0.54 0.78 0.10 0.00 0.00 179.97 180.01 4rub h GLY 195 N 0.02 0.20 0.00 0.08 0.00 -1.56 -3.46 103.07 98.35 4rub h GLY 195 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 4rub h GLY 195 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.35 4rub n GLY 196 N 0.11 -0.40 3.80 4.60 0.00 -0.76 -3.24 105.19 109.30 4rub n GLY 196 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.76 -0.00 0.99 1.02 -1.24 -4.81 118.68 118.39 4rub s LEU 197 Ca 0.00 1.86 -0.06 0.00 0.02 0.00 0.00 54.13 55.94 4rub s LEU 197 Cb 0.00 -4.55 -0.29 0.00 0.02 0.00 0.00 46.19 41.37 4rub s LEU 197 CO 0.00 -0.82 0.83 0.44 0.02 0.00 0.00 176.35 176.82 4rub h ASP 198 N 1.29 0.50 -5.04 2.29 3.32 -1.65 -3.44 116.42 113.69 4rub h ASP 198 Ca -0.49 -0.68 -0.16 0.00 0.02 0.00 0.00 57.03 55.73 4rub h ASP 198 Cb 1.21 -0.16 -0.20 0.00 0.22 0.00 0.00 39.33 40.41 4rub h ASP 198 CO 0.59 1.56 -0.67 -0.36 -1.72 0.00 0.00 179.24 178.64 4rub s PHE 199 N -2.61 0.30 0.38 4.55 0.08 -1.15 -2.31 117.98 117.22 4rub s PHE 199 Ca -0.11 -0.61 0.04 0.00 0.12 0.00 0.00 56.93 56.37 4rub s PHE 199 Cb 0.06 -0.22 -0.04 0.00 -0.57 0.00 0.00 43.02 42.25 4rub s PHE 199 CO 0.86 -0.25 0.08 0.95 -0.10 0.00 0.00 175.22 176.76 4rub s THR 200 N -2.04 1.00 0.20 0.64 -4.23 -1.06 -2.28 115.64 107.87 4rub s THR 200 Ca -0.10 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.19 4rub s THR 200 Cb -0.06 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.27 4rub s THR 200 CO -0.03 0.00 0.62 -1.59 -0.54 0.00 0.00 174.62 173.08 4rub s LYS 201 N -3.82 1.44 0.46 3.99 -2.85 -0.36 -2.22 119.74 116.39 4rub s LYS 201 Ca 0.28 -0.68 -0.21 0.00 -1.00 0.00 0.00 55.97 54.36 4rub s LYS 201 Cb 0.06 0.58 -0.09 0.00 -2.06 0.00 0.00 37.83 36.32 4rub s LYS 201 CO 0.14 -0.64 1.02 -0.51 0.10 0.00 0.00 175.35 175.46 4rub s ASP 202 N -2.82 6.54 0.46 0.03 1.11 -0.97 -2.81 116.67 118.21 4rub s ASP 202 Ca 0.05 1.91 -0.21 0.00 0.18 0.00 0.00 52.55 54.48 4rub s ASP 202 Cb -0.02 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.31 4rub s ASP 202 CO -0.06 -0.64 1.03 -0.62 1.18 0.00 0.00 175.17 176.06 4rub s ASP 203 N -1.93 6.54 0.47 0.27 -1.08 -1.26 -4.90 116.67 114.79 4rub s ASP 203 Ca 0.64 1.91 0.22 0.00 -0.52 0.00 0.00 52.55 54.81 4rub s ASP 203 Cb -0.16 -2.56 1.22 0.00 -1.46 0.00 0.00 42.92 39.96 4rub s ASP 203 CO 0.20 -0.64 1.64 1.05 0.52 0.00 0.00 175.17 177.94 4rub h GLU 204 N 1.84 0.00 -0.38 4.34 9.09 -1.97 0.28 114.58 127.79 4rub h GLU 204 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 4rub h GLU 204 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 4rub h GLU 204 CO 0.60 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.93 4rub n ASN 205 N -2.46 3.26 -4.49 3.06 6.94 -1.26 -4.83 115.26 115.48 4rub n ASN 205 Ca -0.01 -2.19 -0.43 0.00 -0.02 0.00 0.00 54.58 51.92 4rub n ASN 205 Cb 0.29 -0.32 -0.05 0.00 -2.36 0.00 0.00 39.78 37.34 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 -1.35 4.49 0.00 3.53 1.01 0.97 -4.82 120.40 124.23 4rub s VAL 206 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.21 4rub s VAL 206 Cb 0.18 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 32.04 4rub s VAL 206 CO 0.16 -1.12 0.00 0.59 0.00 0.00 0.00 175.10 174.73 4rub n ASN 207 N 7.21 0.00 -3.67 3.32 5.03 -1.26 -4.68 115.26 121.21 4rub n ASN 207 Ca -0.02 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.33 4rub n ASN 207 Cb 0.46 0.00 -0.11 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 0.98 -0.11 0.26 6.41 0.15 -1.26 -3.97 113.70 116.17 4rub s SER 208 Ca 0.00 0.83 -0.09 0.00 0.70 0.00 0.00 55.95 57.39 4rub s SER 208 Cb 0.00 1.02 -0.01 0.00 -1.71 0.00 0.00 66.02 65.32 4rub s SER 208 CO 0.00 -0.23 0.43 -1.10 1.20 0.00 0.00 173.24 173.55 4rub s GLN 209 N 2.31 1.59 0.14 5.44 1.11 -0.75 -4.90 119.66 124.60 4rub s GLN 209 Ca -0.02 -1.42 -0.19 0.00 0.01 0.00 0.00 55.36 53.74 4rub s GLN 209 Cb -0.11 0.44 0.02 0.00 -1.01 0.00 0.00 33.01 32.35 4rub s GLN 209 CO -0.11 -0.65 1.68 -1.35 0.01 0.00 0.00 175.29 174.87 4rub h PRO 210 N 2.27 -0.02 0.00 2.91 0.11 -2.02 0.25 132.00 135.50 4rub h PRO 210 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 4rub h PRO 210 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 4rub h PRO 210 CO 0.39 -0.01 -0.06 0.27 -0.21 0.00 0.00 178.00 178.37 4rub h PHE 211 N -0.02 0.00 -0.99 0.65 -0.00 -1.97 -3.42 116.94 111.19 4rub h PHE 211 Ca 0.14 0.00 0.17 0.00 -0.00 0.00 0.00 57.97 58.28 4rub h PHE 211 Cb 0.23 0.00 -0.24 0.00 -0.00 0.00 0.00 35.95 35.94 4rub h PHE 211 CO -0.28 0.06 0.21 1.41 -0.00 0.00 0.00 178.31 179.71 4rub s MET 212 N -4.10 0.29 0.00 6.09 -2.45 0.86 -4.46 119.30 115.54 4rub s MET 212 Ca -0.03 0.73 -0.14 0.00 -1.25 0.00 0.00 55.69 55.00 4rub s MET 212 Cb 0.12 0.44 -0.06 0.00 1.25 0.00 0.00 34.83 36.58 4rub s MET 212 CO 0.53 -0.11 0.40 1.03 1.05 0.00 0.00 175.02 177.92 4rub s ARG 213 N 2.48 3.89 0.24 4.11 0.52 -1.19 -1.81 118.95 127.19 4rub s ARG 213 Ca -0.02 0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 55.44 4rub s ARG 213 Cb -0.06 -3.20 0.31 0.00 0.52 0.00 0.00 34.95 32.52 4rub s ARG 213 CO -0.17 0.68 1.59 0.11 0.02 0.00 0.00 175.30 177.53 4rub h TRP 214 N 4.63 -0.56 -0.77 -0.53 5.08 -1.89 -0.86 115.95 121.05 4rub h TRP 214 Ca -0.52 0.08 -0.01 0.00 1.08 0.00 0.00 58.89 59.52 4rub h TRP 214 Cb 1.22 0.37 -0.04 0.00 -3.00 0.00 0.00 29.16 27.71 4rub h TRP 214 CO 0.71 -0.36 0.44 -0.09 -1.28 0.00 0.00 178.44 177.86 4rub h ARG 215 N -0.02 1.05 -0.29 0.12 2.43 -1.95 -0.10 114.38 115.62 4rub h ARG 215 Ca 0.37 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 59.27 4rub h ARG 215 Cb 0.59 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 4rub h ARG 215 CO -0.84 0.75 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.49 4rub h ASP 216 N 1.06 0.89 -0.29 -3.80 3.32 -1.66 -1.68 116.42 114.27 4rub h ASP 216 Ca 0.27 -0.52 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 4rub h ASP 216 Cb -0.01 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 4rub h ASP 216 CO -0.05 1.23 0.06 -0.09 -1.72 0.00 0.00 179.24 178.67 4rub h ARG 217 N 0.58 0.47 -0.59 3.56 2.43 -0.63 -2.47 114.38 117.73 4rub h ARG 217 Ca 0.03 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 4rub h ARG 217 Cb 1.05 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 4rub h ARG 217 CO 0.10 0.57 0.39 0.74 -1.51 0.00 0.00 179.97 180.26 4rub h PHE 218 N 0.30 0.73 0.15 2.20 -1.00 -0.91 -0.81 116.94 117.61 4rub h PHE 218 Ca 0.09 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 4rub h PHE 218 Cb 0.32 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.63 4rub h PHE 218 CO 0.02 0.46 -0.07 1.25 -1.61 0.00 0.00 178.31 178.35 4rub h LEU 219 N 0.79 -0.17 -0.26 1.54 6.46 -1.20 -2.20 115.31 120.27 4rub h LEU 219 Ca 0.22 -0.09 -0.20 0.00 -0.12 0.00 0.00 57.88 57.69 4rub h LEU 219 Cb -0.08 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 4rub h LEU 219 CO -0.05 -0.01 -0.61 -0.26 -0.62 0.00 0.00 178.44 176.89 4rub h PHE 220 N -0.32 1.11 0.00 1.25 0.04 -1.28 -2.77 116.94 114.96 4rub h PHE 220 Ca -0.02 -0.42 -0.01 0.00 2.80 0.00 0.00 57.97 60.32 4rub h PHE 220 Cb 0.26 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 4rub h PHE 220 CO -0.03 1.25 -0.06 0.00 -0.60 0.00 0.00 178.31 178.87 4rub h ALA 222 N 1.94 0.05 -0.50 0.00 0.00 -1.14 -1.67 119.26 117.94 4rub h ALA 222 Ca -0.00 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.77 4rub h ALA 222 Cb 0.25 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 4rub h ALA 222 CO 0.01 -0.20 -0.11 1.49 0.00 0.00 0.00 179.25 180.44 4rub h GLU 223 N -0.34 0.02 -0.34 0.00 4.81 -1.03 -1.72 114.58 115.98 4rub h GLU 223 Ca 0.01 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 4rub h GLU 223 Cb 0.48 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 4rub h GLU 223 CO 0.01 0.01 -0.47 0.00 -0.73 0.00 0.00 179.01 177.83 4rub h ALA 224 N 1.49 0.51 0.00 2.92 0.00 -1.22 -1.99 119.26 120.97 4rub h ALA 224 Ca 0.24 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 4rub h ALA 224 Cb 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 4rub h ALA 224 CO -0.50 0.67 -0.62 1.37 0.00 0.00 0.00 179.25 180.18 4rub h LEU 225 N 0.72 0.00 -0.59 0.00 8.10 -1.01 -1.77 115.31 120.76 4rub h LEU 225 Ca 0.04 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.89 4rub h LEU 225 Cb 1.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.28 4rub h LEU 225 CO 0.11 0.62 -0.31 1.88 -4.11 0.00 0.00 178.44 176.63 4rub h TYR 226 N 0.00 0.93 -0.02 0.17 0.05 -1.29 -1.01 116.97 115.80 4rub h TYR 226 Ca -0.01 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.53 4rub h TYR 226 Cb 1.16 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.69 4rub h TYR 226 CO 0.00 1.00 -0.01 -0.22 -1.05 0.00 0.00 178.16 177.88 4rub h LYS 227 N 0.67 0.04 -0.84 4.88 3.64 -0.81 -2.79 116.57 121.36 4rub h LYS 227 Ca 0.08 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 4rub h LYS 227 Cb 0.85 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.59 4rub h LYS 227 CO 0.07 0.40 0.50 0.00 -2.27 0.00 0.00 179.45 178.15 4rub h ALA 228 N 0.64 1.20 -0.60 5.00 0.00 -1.34 -2.18 119.26 121.99 4rub h ALA 228 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 4rub h ALA 228 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 4rub h ALA 228 CO 0.00 0.15 0.05 0.37 0.00 0.00 0.00 179.25 179.81 4rub h GLN 229 N 0.84 1.01 -0.23 0.00 4.15 -1.12 -0.90 115.11 118.86 4rub h GLN 229 Ca 0.40 -0.28 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 4rub h GLN 229 Cb 0.33 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 4rub h GLN 229 CO -0.23 0.96 -0.08 0.00 -1.93 0.00 0.00 178.83 177.55 4rub h ALA 230 N 1.10 0.32 0.67 3.38 0.00 -1.17 -0.45 119.26 123.13 4rub h ALA 230 Ca 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 4rub h ALA 230 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 4rub h ALA 230 CO 0.02 0.14 -0.47 1.49 0.00 0.00 0.00 179.25 180.44 4rub h GLU 231 N 0.19 -1.05 -0.15 0.00 4.81 -1.27 -3.29 114.58 113.83 4rub h GLU 231 Ca 0.06 0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.17 4rub h GLU 231 Cb 0.56 0.24 0.01 0.00 0.63 0.00 0.00 28.75 30.19 4rub h GLU 231 CO 0.03 -0.70 -0.65 1.79 -0.73 0.00 0.00 179.01 178.75 4rub h THR 232 N -1.09 1.31 0.00 0.32 1.35 -1.23 -3.48 112.91 110.10 4rub h THR 232 Ca -0.09 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 4rub h THR 232 Cb 0.89 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 4rub h THR 232 CO 0.06 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 4rub n GLY 233 N 0.67 0.89 3.03 5.82 0.00 -0.18 -5.07 105.19 110.35 4rub n GLY 233 Ca -0.07 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.16 1.75 0.21 1.61 2.02 -1.22 -5.07 118.70 116.83 4rub s GLU 234 Ca 0.00 -0.42 -0.32 0.00 0.02 0.00 0.00 54.97 54.25 4rub s GLU 234 Cb 0.00 -1.45 -0.14 0.00 0.10 0.00 0.00 34.13 32.64 4rub s GLU 234 CO 0.00 0.02 1.31 -0.89 0.02 0.00 0.00 175.26 175.72 4rub n ILE 235 N 3.85 0.92 -4.47 -1.63 5.41 -1.26 -4.59 119.36 117.60 4rub n ILE 235 Ca -0.22 -0.23 -0.25 0.00 1.00 0.00 0.00 62.75 63.05 4rub n ILE 235 Cb 0.52 -1.23 -0.10 0.00 -0.71 0.00 0.00 39.64 38.12 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 -0.39 1.83 0.03 0.38 -0.14 -1.26 -4.93 119.74 115.25 4rub s LYS 236 Ca 0.70 -1.81 -0.18 0.00 -1.36 0.00 0.00 55.97 53.33 4rub s LYS 236 Cb -0.73 -1.79 0.03 0.00 -1.68 0.00 0.00 37.83 33.66 4rub s LYS 236 CO 0.51 0.23 0.39 0.20 -0.76 0.00 0.00 175.35 175.92 4rub s GLY 237 N -3.59 -0.25 -0.25 -3.33 0.00 -0.98 -4.87 107.32 94.06 4rub s GLY 237 Ca 0.32 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.36 4rub s GLY 237 CO 0.17 0.09 0.06 -1.58 0.00 0.00 0.00 173.10 171.83 4rub s HIS 238 N -2.17 1.38 -0.41 1.90 2.46 -1.26 -2.58 115.29 114.62 4rub s HIS 238 Ca -0.07 -1.29 -0.30 0.00 0.47 0.00 0.00 55.06 53.87 4rub s HIS 238 Cb -0.02 -1.34 -0.09 0.00 -0.13 0.00 0.00 32.58 31.00 4rub s HIS 238 CO -0.00 -0.74 2.31 0.66 -2.47 0.00 0.00 174.74 174.49 4rub n TYR 239 N 4.95 1.56 -3.02 3.88 4.01 -0.94 -4.73 117.16 122.86 4rub n TYR 239 Ca -0.06 0.13 -0.40 0.00 -0.16 0.00 0.00 57.90 57.41 4rub n TYR 239 Cb 0.45 -2.60 -0.05 0.00 -0.31 0.00 0.00 39.34 36.83 4rub n TYR 239 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 4rub s LEU 240 N 9.08 4.26 -0.28 7.72 1.43 -1.24 -2.29 118.68 137.37 4rub s LEU 240 Ca 1.07 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 55.00 4rub s LEU 240 Cb -0.57 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.56 4rub s LEU 240 CO 0.39 -0.21 1.27 0.21 0.23 0.00 0.00 176.35 178.24 4rub s ASN 241 N 0.95 6.75 0.00 2.29 3.04 -1.26 -1.61 114.94 125.10 4rub s ASN 241 Ca 0.36 1.28 0.25 0.00 0.04 0.00 0.00 52.86 54.79 4rub s ASN 241 Cb -0.17 -2.54 0.57 0.00 -1.54 0.00 0.00 41.25 37.57 4rub s ASN 241 CO 0.16 -1.00 1.47 0.00 -3.04 0.00 0.00 177.10 174.69 4rub n ALA 242 N 7.35 2.50 -1.71 1.71 0.00 -0.44 -4.87 120.51 125.05 4rub n ALA 242 Ca 0.14 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 4rub n ALA 242 Cb 0.46 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 4rub n ALA 242 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 4rub s THR 243 N -1.88 2.60 0.15 0.00 2.01 -1.26 -4.45 115.64 112.81 4rub s THR 243 Ca 0.33 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.41 4rub s THR 243 Cb 0.20 -3.03 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 4rub s THR 243 CO 0.31 -0.00 0.13 0.00 -0.69 0.00 0.00 174.62 174.37 4rub n ALA 244 N 5.93 0.32 0.07 7.40 0.00 -1.26 -4.79 120.51 128.19 4rub n ALA 244 Ca 0.18 -0.88 -0.14 0.00 0.00 0.00 0.00 53.44 52.60 4rub n ALA 244 Cb 0.39 0.71 -0.14 0.00 0.00 0.00 0.00 19.45 20.41 4rub n ALA 244 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 4rub h GLY 245 N 0.92 0.22 -3.18 0.00 0.00 -1.95 -3.47 103.07 95.61 4rub h GLY 245 Ca -0.11 -0.56 -0.34 0.00 0.00 0.00 0.00 47.33 46.32 4rub h GLY 245 CO 0.15 0.49 -0.73 -0.51 0.00 0.00 0.00 176.54 175.95 4rub s THR 246 N -2.65 1.15 0.32 4.70 -4.23 -1.26 -5.04 115.64 108.63 4rub s THR 246 Ca -0.05 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 4rub s THR 246 Cb 0.08 -1.67 0.27 0.00 1.34 0.00 0.00 72.50 72.52 4rub s THR 246 CO 0.86 -0.63 1.97 0.00 -0.54 0.00 0.00 174.62 176.27 4rub h GLU 248 N 1.00 1.25 -0.29 0.00 3.07 -1.99 0.18 114.58 117.79 4rub h GLU 248 Ca 0.30 -0.15 -0.19 0.00 -0.50 0.00 0.00 59.36 58.82 4rub h GLU 248 Cb -0.03 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.64 4rub h GLU 248 CO -0.08 0.92 -0.55 0.93 -1.40 0.00 0.00 179.01 178.83 4rub h GLU 249 N 1.25 0.89 -0.23 2.33 4.39 -1.79 -2.12 114.58 119.30 4rub h GLU 249 Ca 0.31 -0.56 0.04 0.00 0.34 0.00 0.00 59.36 59.49 4rub h GLU 249 Cb 0.04 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 4rub h GLU 249 CO -0.05 1.20 -0.03 1.98 -1.16 0.00 0.00 179.01 180.95 4rub h MET 250 N 0.67 0.03 -0.55 2.33 4.05 -0.37 -2.59 114.93 118.50 4rub h MET 250 Ca 0.01 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.32 4rub h MET 250 Cb 1.16 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 4rub h MET 250 CO 0.12 0.02 -0.08 0.82 0.23 0.00 0.00 176.91 178.03 4rub h ILE 251 N 0.03 1.27 -0.55 1.77 1.08 -0.97 -2.12 117.51 118.01 4rub h ILE 251 Ca 0.11 -1.23 0.11 0.00 -0.39 0.00 0.00 64.86 63.46 4rub h ILE 251 Cb 0.15 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 4rub h ILE 251 CO -0.21 0.44 0.38 0.50 -0.69 0.00 0.00 178.15 178.56 4rub h LYS 252 N 0.91 0.25 0.16 2.37 3.64 -1.00 0.18 116.57 123.07 4rub h LYS 252 Ca 0.15 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.17 4rub h LYS 252 Cb 0.64 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 4rub h LYS 252 CO 0.04 0.17 -1.69 0.00 -2.27 0.00 0.00 179.45 175.70 4rub h ARG 253 N 0.26 0.34 -0.55 1.90 3.08 -1.34 -3.07 114.38 115.00 4rub h ARG 253 Ca 0.26 -0.58 0.01 0.00 0.07 0.00 0.00 59.98 59.73 4rub h ARG 253 Cb 0.68 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 4rub h ARG 253 CO -0.05 1.24 0.37 0.00 -1.07 0.00 0.00 179.97 180.45 4rub h ALA 254 N 0.25 0.70 -0.73 0.04 0.00 -0.34 -2.52 119.26 116.66 4rub h ALA 254 Ca -0.32 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.62 4rub h ALA 254 Cb 2.07 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 4rub h ALA 254 CO 0.17 0.14 0.41 0.28 0.00 0.00 0.00 179.25 180.25 4rub h VAL 255 N 0.75 0.96 -0.40 0.00 2.07 -0.79 -1.66 116.25 117.18 4rub h VAL 255 Ca 0.20 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 4rub h VAL 255 Cb -0.09 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 4rub h VAL 255 CO -0.04 0.14 -0.12 0.15 0.02 0.00 0.00 177.57 177.71 4rub h PHE 256 N 0.74 0.77 -0.25 1.57 3.57 -1.40 0.66 116.94 122.60 4rub h PHE 256 Ca 0.33 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.71 4rub h PHE 256 Cb 0.23 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 4rub h PHE 256 CO -0.07 0.79 0.13 0.00 -2.23 0.00 0.00 178.31 176.93 4rub h ALA 257 N 1.23 0.30 -0.65 2.41 0.00 -0.92 -0.59 119.26 121.04 4rub h ALA 257 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.11 4rub h ALA 257 Cb 0.57 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 4rub h ALA 257 CO 0.04 -0.26 0.30 -0.09 0.00 0.00 0.00 179.25 179.23 4rub h ARG 258 N 0.28 0.51 -0.63 0.00 1.12 -0.89 -2.06 114.38 112.71 4rub h ARG 258 Ca 0.10 -0.03 0.10 0.00 -1.11 0.00 0.00 59.98 59.04 4rub h ARG 258 Cb 0.01 -0.11 -0.07 0.00 -0.01 0.00 0.00 29.97 29.78 4rub h ARG 258 CO -0.06 0.34 0.24 1.49 -3.11 0.00 0.00 179.97 178.87 4rub h GLU 259 N 0.52 0.40 0.00 0.20 4.81 0.69 -1.88 114.58 119.33 4rub h GLU 259 Ca 0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 4rub h GLU 259 Cb 0.34 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.63 4rub h GLU 259 CO -0.27 0.27 0.00 -0.07 -0.73 0.00 0.00 179.01 178.21 4rub h LEU 260 N 0.42 0.00 0.00 1.64 3.38 -0.74 -3.47 115.31 116.53 4rub h LEU 260 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 4rub h LEU 260 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 4rub h LEU 260 CO -0.32 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.82 4rub n GLY 261 N 0.05 1.26 3.75 0.83 0.00 -0.71 -5.02 105.19 105.35 4rub n GLY 261 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 4rub n GLY 261 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 4rub s VAL 262 N -3.15 2.24 -0.58 1.61 -7.23 -1.23 -4.98 120.40 107.08 4rub s VAL 262 Ca 0.00 0.17 0.24 0.00 -1.81 0.00 0.00 61.98 60.58 4rub s VAL 262 Cb 0.00 -3.08 0.07 0.00 0.56 0.00 0.00 36.38 33.93 4rub s VAL 262 CO 0.00 -0.01 1.32 1.55 -0.31 0.00 0.00 175.10 177.65 4rub h PRO 263 N 1.30 0.00 -3.45 4.82 0.13 -1.91 -3.44 132.00 129.46 4rub h PRO 263 Ca -0.51 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 4rub h PRO 263 Cb 1.30 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.22 4rub h PRO 263 CO 0.57 0.00 -0.47 -1.50 -0.23 0.00 0.00 178.00 176.36 4rub s ILE 264 N -3.19 0.07 0.38 -3.56 2.07 -1.26 -2.17 121.20 113.54 4rub s ILE 264 Ca 0.06 -0.61 0.04 0.00 -1.41 0.00 0.00 60.65 58.72 4rub s ILE 264 Cb 0.12 -0.43 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 4rub s ILE 264 CO 0.72 -0.34 0.08 0.68 -1.91 0.00 0.00 174.94 174.17 4rub s VAL 265 N -1.26 0.97 0.06 4.00 -7.23 -0.47 -3.61 120.40 112.86 4rub s VAL 265 Ca -0.13 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 57.96 4rub s VAL 265 Cb -0.07 -2.55 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 4rub s VAL 265 CO 0.02 0.00 0.16 -0.32 -0.31 0.00 0.00 175.10 174.65 4rub s MET 266 N -3.81 0.73 -0.09 4.82 1.75 -0.63 -1.37 119.30 120.69 4rub s MET 266 Ca 0.28 -0.81 -0.11 0.00 -1.25 0.00 0.00 55.69 53.80 4rub s MET 266 Cb 0.05 0.29 0.03 0.00 2.84 0.00 0.00 34.83 38.05 4rub s MET 266 CO 0.14 -0.21 0.30 -1.58 -0.65 0.00 0.00 175.02 173.01 4rub s HIS 267 N -3.15 -0.29 -0.77 4.11 5.04 0.48 -1.33 115.29 119.37 4rub s HIS 267 Ca -0.00 0.68 -0.21 0.00 -1.54 0.00 0.00 55.06 53.99 4rub s HIS 267 Cb 0.02 0.10 0.10 0.00 0.04 0.00 0.00 32.58 32.84 4rub s HIS 267 CO -0.07 -0.20 1.01 -0.51 -2.34 0.00 0.00 174.74 172.63 4rub s ASP 268 N -0.15 6.37 0.47 9.88 1.01 -1.26 -1.83 116.67 131.16 4rub s ASP 268 Ca -0.03 -1.49 0.13 0.00 0.71 0.00 0.00 52.55 51.87 4rub s ASP 268 Cb -0.03 -2.40 1.11 0.00 1.01 0.00 0.00 42.92 42.61 4rub s ASP 268 CO 0.01 -1.25 2.08 0.10 0.21 0.00 0.00 175.17 176.33 4rub h TYR 269 N 9.22 0.23 0.15 4.23 -0.00 -1.87 -1.92 116.97 127.01 4rub h TYR 269 Ca -0.09 0.01 -0.32 0.00 -0.00 0.00 0.00 58.73 58.32 4rub h TYR 269 Cb 1.05 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.71 4rub h TYR 269 CO 1.04 0.14 -1.61 -0.07 -0.00 0.00 0.00 178.16 177.66 4rub h LEU 270 N 0.25 0.50 -0.49 0.10 3.38 -1.78 -0.05 115.31 117.22 4rub h LEU 270 Ca 0.11 -0.90 -0.13 0.00 0.09 0.00 0.00 57.88 57.05 4rub h LEU 270 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 4rub h LEU 270 CO -0.02 1.72 -0.62 0.71 0.09 0.00 0.00 178.44 180.31 4rub h THR 271 N -0.09 1.25 0.15 0.22 1.35 -1.70 -3.26 112.91 110.83 4rub h THR 271 Ca -0.33 -2.29 -0.01 0.00 -0.55 0.00 0.00 66.41 63.23 4rub h THR 271 Cb 1.94 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.66 4rub h THR 271 CO 0.12 0.61 -0.07 1.23 -0.25 0.00 0.00 175.52 177.15 4rub h GLY 272 N 2.49 -0.21 0.00 5.82 0.00 -1.47 -3.51 103.07 106.20 4rub h GLY 272 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.40 4rub h GLY 272 CO 0.08 -0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.16 4rub n GLY 273 N 0.53 2.76 0.37 4.60 0.00 -0.03 -4.64 105.19 108.78 4rub n GLY 273 Ca -0.08 -1.79 0.04 0.00 0.00 0.00 0.00 46.02 44.20 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 1.17 -0.26 1.61 0.04 -1.88 0.33 116.94 117.95 4rub h PHE 274 Ca 0.00 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.85 4rub h PHE 274 Cb 0.00 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 37.73 4rub h PHE 274 CO 0.00 0.55 -0.02 1.15 -0.60 0.00 0.00 178.31 179.39 4rub h THR 275 N 1.10 0.79 -0.20 -1.55 2.02 -1.93 -0.75 112.91 112.39 4rub h THR 275 Ca 0.46 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 67.48 4rub h THR 275 Cb 0.29 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 4rub h THR 275 CO -0.21 0.01 -0.44 0.00 0.37 0.00 0.00 175.52 175.25 4rub h ALA 276 N 1.24 0.87 0.65 6.16 0.00 -1.65 -3.08 119.26 123.45 4rub h ALA 276 Ca 0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 4rub h ALA 276 Cb 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.87 4rub h ALA 276 CO -0.23 0.65 -0.31 -0.97 0.00 0.00 0.00 179.25 178.39 4rub h ASN 277 N 0.40 -0.74 -0.58 0.00 -1.24 -0.40 -2.50 115.58 110.51 4rub h ASN 277 Ca 0.03 0.01 0.15 0.00 0.71 0.00 0.00 56.30 57.20 4rub h ASN 277 Cb 0.93 0.19 -0.03 0.00 0.73 0.00 0.00 38.32 40.15 4rub h ASN 277 CO 0.08 -0.50 0.41 0.74 -1.29 0.00 0.00 177.43 176.87 4rub h THR 278 N -0.92 0.77 -0.42 -3.57 2.02 -1.21 0.37 112.91 109.94 4rub h THR 278 Ca -0.09 -0.05 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 4rub h THR 278 Cb 0.69 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 4rub h THR 278 CO 0.15 0.03 -0.22 0.28 0.37 0.00 0.00 175.52 176.12 4rub h SER 279 N 0.14 0.93 -0.11 4.18 0.02 -1.36 -2.37 113.55 114.98 4rub h SER 279 Ca 0.28 -0.41 -0.19 0.00 -0.84 0.00 0.00 61.79 60.63 4rub h SER 279 Cb 0.91 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.20 4rub h SER 279 CO -0.04 1.13 -0.64 0.25 -1.14 0.00 0.00 176.83 176.40 4rub h LEU 280 N 0.72 0.83 -0.72 5.07 5.85 -0.67 -1.42 115.31 124.97 4rub h LEU 280 Ca 0.09 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 4rub h LEU 280 Cb 0.79 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 4rub h LEU 280 CO 0.07 1.26 0.26 0.00 -0.34 0.00 0.00 178.44 179.69 4rub h ALA 281 N 0.74 0.94 -0.31 1.25 0.00 -0.27 0.15 119.26 121.77 4rub h ALA 281 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 4rub h ALA 281 Cb 1.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 4rub h ALA 281 CO 0.13 0.59 0.08 0.45 0.00 0.00 0.00 179.25 180.50 4rub h HIS 282 N 1.05 0.52 -0.55 0.00 3.86 -1.08 0.18 115.15 119.13 4rub h HIS 282 Ca 0.24 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 4rub h HIS 282 Cb 0.25 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 4rub h HIS 282 CO 0.02 0.54 0.25 -0.92 0.86 0.00 0.00 177.93 178.68 4rub h TYR 283 N 0.35 0.77 -0.06 2.45 5.03 -0.86 0.76 116.97 125.41 4rub h TYR 283 Ca 0.10 -0.03 -0.16 0.00 2.58 0.00 0.00 58.73 61.23 4rub h TYR 283 Cb 0.28 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 4rub h TYR 283 CO 0.01 0.58 -0.65 0.00 -1.32 0.00 0.00 178.16 176.78 4rub h ARG 285 N 0.17 -0.41 0.00 0.00 9.65 0.16 0.02 114.38 123.97 4rub h ARG 285 Ca -0.01 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 4rub h ARG 285 Cb 1.18 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 4rub h ARG 285 CO 0.10 -0.23 0.00 -0.25 2.80 0.00 0.00 179.97 182.39 4rub n ASP 286 N -5.25 0.22 0.00 -3.80 8.00 -0.25 -3.22 116.55 112.25 4rub n ASP 286 Ca -0.10 0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.95 4rub n ASP 286 Cb 0.21 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 4rub n ASP 286 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 4rub n ASN 287 N -1.74 1.85 -3.35 -2.24 3.02 -0.73 -5.06 115.26 107.01 4rub n ASN 287 Ca 0.03 -1.88 -0.24 0.00 -0.03 0.00 0.00 54.58 52.46 4rub n ASN 287 Cb 0.19 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.44 -0.53 3.89 7.41 0.00 -0.03 -5.00 105.19 110.49 4rub n GLY 288 Ca 0.00 0.18 -0.36 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 4.39 -0.01 0.99 1.43 -1.15 -4.97 118.68 112.40 4rub s LEU 289 Ca 0.45 0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.86 4rub s LEU 289 Cb -0.21 -2.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.72 4rub s LEU 289 CO 0.56 0.37 0.41 -0.76 0.23 0.00 0.00 176.35 177.16 4rub s LEU 290 N -1.28 4.47 -0.16 1.79 1.43 -0.92 -4.62 118.68 119.39 4rub s LEU 290 Ca 0.19 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 4rub s LEU 290 Cb -0.12 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.51 4rub s LEU 290 CO 0.08 0.31 -0.17 -0.22 0.23 0.00 0.00 176.35 176.58 4rub s LEU 291 N -0.99 2.38 -0.27 1.79 2.96 -1.26 -1.37 118.68 121.92 4rub s LEU 291 Ca 0.24 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 53.52 4rub s LEU 291 Cb -0.17 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 4rub s LEU 291 CO 0.13 0.07 0.22 -2.28 -1.32 0.00 0.00 176.35 173.18 4rub s HIS 292 N 0.88 3.25 -0.06 5.38 5.65 -0.47 -0.79 115.29 129.13 4rub s HIS 292 Ca -0.04 0.21 -0.15 0.00 0.25 0.00 0.00 55.06 55.33 4rub s HIS 292 Cb -0.15 -2.40 -0.05 0.00 -1.18 0.00 0.00 32.58 28.80 4rub s HIS 292 CO -0.02 -0.12 0.38 0.42 -0.65 0.00 0.00 174.74 174.75 4rub s ILE 293 N 1.66 5.14 -0.20 0.89 -1.09 0.45 -0.39 121.20 127.65 4rub s ILE 293 Ca 0.09 0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 59.23 4rub s ILE 293 Cb -0.15 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 4rub s ILE 293 CO 0.09 0.50 -0.03 -2.28 -1.23 0.00 0.00 174.94 172.00 4rub s HIS 294 N -0.50 2.98 -0.55 3.97 2.46 -0.76 -3.56 115.29 119.32 4rub s HIS 294 Ca 0.22 -0.71 0.04 0.00 0.47 0.00 0.00 55.06 55.08 4rub s HIS 294 Cb -0.15 -2.07 0.28 0.00 -0.13 0.00 0.00 32.58 30.51 4rub s HIS 294 CO 0.10 -0.39 1.07 2.89 -2.47 0.00 0.00 174.74 175.95 4rub n ARG 295 N 4.45 2.13 -1.16 2.88 1.85 -1.26 -2.81 116.66 122.74 4rub n ARG 295 Ca -0.18 -1.13 -0.39 0.00 -1.00 0.00 0.00 57.85 55.16 4rub n ARG 295 Cb 0.51 -1.67 -0.01 0.00 -1.05 0.00 0.00 32.46 30.24 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 0.13 -2.73 0.00 2.89 0.00 -1.26 -0.96 120.51 118.58 4rub n ALA 296 Ca 0.14 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.79 4rub n ALA 296 Cb 0.70 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.05 0.00 -0.21 0.00 0.00 -1.26 -4.20 117.12 112.50 4rub n MET 297 Ca 0.12 0.00 0.09 0.00 -0.00 0.00 0.00 57.70 57.91 4rub n MET 297 Cb 0.30 -1.96 0.37 0.00 0.00 0.00 0.00 33.22 31.93 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 0.76 0.00 1.12 -0.00 -1.46 -2.18 115.15 113.38 4rub h HIS 298 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 4rub h HIS 298 Cb 0.00 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.17 4rub h HIS 298 CO 0.00 0.35 -0.00 0.00 -0.00 0.00 0.00 177.93 178.28 4rub h ALA 299 N 1.61 1.01 -0.23 6.11 0.00 -1.90 0.20 119.26 126.05 4rub h ALA 299 Ca 0.36 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 4rub h ALA 299 Cb 0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 4rub h ALA 299 CO -0.14 0.01 -0.18 0.28 0.00 0.00 0.00 179.25 179.22 4rub h VAL 300 N 0.00 1.24 0.01 0.00 2.07 -1.80 -3.22 116.25 114.54 4rub h VAL 300 Ca -0.00 -1.08 -0.36 0.00 0.82 0.00 0.00 66.70 66.08 4rub h VAL 300 Cb 0.27 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 4rub h VAL 300 CO 0.00 0.34 -2.30 -0.38 0.02 0.00 0.00 177.57 175.25 4rub n ILE 301 N -4.18 1.47 -0.26 4.57 5.41 -0.15 -4.67 119.36 121.54 4rub n ILE 301 Ca -0.00 -0.77 0.12 0.00 1.00 0.00 0.00 62.75 63.10 4rub n ILE 301 Cb 0.35 -0.85 0.31 0.00 -0.71 0.00 0.00 39.64 38.74 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 -2.96 3.86 -0.05 4.38 5.68 0.51 -1.75 116.55 126.22 4rub n ASP 302 Ca -0.34 -2.00 -0.01 0.00 -0.50 0.00 0.00 54.79 51.94 4rub n ASP 302 Cb 1.10 -0.47 -0.01 0.00 -1.14 0.00 0.00 41.12 40.60 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 4.29 0.00 -6.53 0.11 2.43 -1.80 -3.41 114.38 109.46 4rub h ARG 303 Ca 0.00 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 4rub h ARG 303 Cb 0.98 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.57 4rub h ARG 303 CO 0.00 0.07 1.06 -0.65 -1.51 0.00 0.00 179.97 178.95 4rub s GLN 304 N -1.62 4.15 0.00 0.20 -1.52 -1.26 -3.41 119.66 116.20 4rub s GLN 304 Ca -0.02 2.54 0.17 0.00 -1.95 0.00 0.00 55.36 56.09 4rub s GLN 304 Cb -0.00 -3.48 0.82 0.00 -0.22 0.00 0.00 33.01 30.13 4rub s GLN 304 CO 0.06 -0.79 1.49 1.17 -0.25 0.00 0.00 175.29 176.96 4rub n LYS 305 N 5.28 0.21 -0.03 2.91 4.81 -1.26 -3.44 118.16 126.65 4rub n LYS 305 Ca 0.17 0.14 0.02 0.00 -0.87 0.00 0.00 58.31 57.76 4rub n LYS 305 Cb 0.38 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.83 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 -1.30 1.92 -3.83 3.14 6.94 -1.26 -4.99 115.26 115.87 4rub n ASN 306 Ca 0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.51 4rub n ASN 306 Cb 0.14 1.31 -0.12 0.00 -2.36 0.00 0.00 39.78 38.74 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 -2.70 -0.13 0.00 -2.53 5.04 -1.22 -3.60 115.29 110.14 4rub s HIS 307 Ca -0.05 0.33 0.00 0.00 -1.54 0.00 0.00 55.06 53.79 4rub s HIS 307 Cb 0.07 0.04 0.00 0.00 0.04 0.00 0.00 32.58 32.73 4rub s HIS 307 CO 0.54 -0.10 0.00 0.41 -2.34 0.00 0.00 174.74 173.25 4rub n GLY 308 N 2.81 0.36 3.29 1.59 0.00 -0.92 -4.39 105.19 107.94 4rub n GLY 308 Ca -0.14 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.34 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 0.00 1.99 0.28 -0.61 1.01 -0.71 0.36 121.20 123.52 4rub s ILE 309 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 60.65 59.29 4rub s ILE 309 Cb 0.00 -1.66 -0.09 0.00 0.01 0.00 0.00 42.46 40.72 4rub s ILE 309 CO 0.00 0.56 1.02 -2.28 0.00 0.00 0.00 174.94 174.25 4rub s HIS 310 N -0.54 3.70 0.30 3.97 5.65 0.06 -3.46 115.29 124.98 4rub s HIS 310 Ca 0.08 1.78 0.06 0.00 0.25 0.00 0.00 55.06 57.23 4rub s HIS 310 Cb -0.10 -3.13 0.79 0.00 -1.18 0.00 0.00 32.58 28.96 4rub s HIS 310 CO -0.00 -0.13 1.73 0.35 -0.65 0.00 0.00 174.74 176.03 4rub h PHE 311 N 3.73 0.88 -0.82 3.88 3.57 -1.92 -0.59 116.94 125.67 4rub h PHE 311 Ca -0.46 0.04 0.24 0.00 3.53 0.00 0.00 57.97 61.31 4rub h PHE 311 Cb 1.21 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 4rub h PHE 311 CO 0.60 0.06 0.67 0.07 -2.23 0.00 0.00 178.31 177.47 4rub h ARG 312 N 0.55 0.00 0.05 1.11 0.11 -1.93 0.46 114.38 114.73 4rub h ARG 312 Ca 0.59 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.51 4rub h ARG 312 Cb 1.08 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.18 4rub h ARG 312 CO -0.47 0.00 -0.66 0.28 0.10 0.00 0.00 179.97 179.22 4rub h VAL 313 N 0.00 1.46 -0.47 0.08 2.07 -1.35 -1.11 116.25 116.94 4rub h VAL 313 Ca 0.39 -2.24 0.08 0.00 0.82 0.00 0.00 66.70 65.75 4rub h VAL 313 Cb 1.72 2.83 -0.07 0.00 -1.52 0.00 0.00 31.29 34.25 4rub h VAL 313 CO -0.00 0.64 0.09 -0.07 0.02 0.00 0.00 177.57 178.24 4rub h LEU 314 N -0.22 -0.01 -0.88 2.57 4.07 -0.26 -0.51 115.31 120.06 4rub h LEU 314 Ca -0.10 0.09 0.04 0.00 0.08 0.00 0.00 57.88 57.99 4rub h LEU 314 Cb 1.42 0.12 -0.06 0.00 1.08 0.00 0.00 40.66 43.22 4rub h LEU 314 CO 0.13 0.02 0.56 0.00 -1.08 0.00 0.00 178.44 178.08 4rub h ALA 315 N 1.37 1.18 0.11 1.53 0.00 -0.34 -2.58 119.26 120.53 4rub h ALA 315 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 4rub h ALA 315 Cb 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.81 4rub h ALA 315 CO -0.31 0.38 -0.05 0.87 0.00 0.00 0.00 179.25 180.14 4rub h LYS 316 N 1.07 -0.14 -1.04 0.00 1.57 0.07 -2.92 116.57 115.19 4rub h LYS 316 Ca 0.36 0.01 0.28 0.00 -1.87 0.00 0.00 60.65 59.43 4rub h LYS 316 Cb 0.05 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 4rub h LYS 316 CO -0.13 0.11 0.70 0.00 -0.57 0.00 0.00 179.45 179.55 4rub h ALA 317 N 0.48 2.54 0.09 3.86 0.00 -0.79 -0.94 119.26 124.51 4rub h ALA 317 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 4rub h ALA 317 Cb 0.31 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 4rub h ALA 317 CO 0.02 -0.89 -0.04 1.25 0.00 0.00 0.00 179.25 179.59 4rub h LEU 318 N 0.24 -0.10 -1.32 0.00 5.85 -1.36 -1.50 115.31 117.12 4rub h LEU 318 Ca 0.55 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.82 4rub h LEU 318 Cb 1.68 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.73 4rub h LEU 318 CO -0.17 0.56 0.33 -0.09 -0.34 0.00 0.00 178.44 178.73 4rub h ARG 319 N -0.92 0.00 0.04 1.25 9.65 -1.03 1.02 114.38 124.39 4rub h ARG 319 Ca -0.01 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.56 4rub h ARG 319 Cb 0.54 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.09 4rub h ARG 319 CO 0.02 0.00 -1.68 -1.33 2.80 0.00 0.00 179.97 179.78 4rub n MET 320 N -2.42 0.63 -0.10 0.20 2.81 -0.58 -4.10 117.12 113.56 4rub n MET 320 Ca -0.01 0.43 -0.13 0.00 -1.81 0.00 0.00 57.70 56.18 4rub n MET 320 Cb 0.36 -1.70 -0.04 0.00 -0.71 0.00 0.00 33.22 31.13 4rub n MET 320 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 4rub h SER 321 N -0.63 0.70 0.00 7.83 0.87 0.50 -3.05 113.55 119.77 4rub h SER 321 Ca -0.42 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 4rub h SER 321 Cb 1.59 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 4rub h SER 321 CO -0.14 1.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 4rub n GLY 322 N 0.09 3.51 3.61 5.77 0.00 0.32 -4.40 105.19 114.09 4rub n GLY 322 Ca -0.04 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.07 -0.24 -0.02 0.00 -1.26 -4.77 107.32 100.96 4rub s GLY 323 Ca 0.00 2.47 0.07 0.00 0.00 0.00 0.00 44.72 47.26 4rub s GLY 323 CO 0.00 1.07 -0.14 1.22 0.00 0.00 0.00 173.10 175.26 4rub n ASP 324 N 0.62 1.38 -4.42 1.64 8.00 0.03 -4.23 116.55 119.57 4rub n ASP 324 Ca -0.05 -0.10 -0.29 0.00 0.71 0.00 0.00 54.79 55.06 4rub n ASP 324 Cb 0.58 0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.51 2.40 -0.01 1.24 3.76 -0.96 -1.79 115.29 117.42 4rub s HIS 325 Ca -0.27 -0.34 -0.03 0.00 -0.15 0.00 0.00 55.06 54.27 4rub s HIS 325 Cb 0.08 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.45 4rub s HIS 325 CO 0.67 0.32 0.07 -1.50 -0.85 0.00 0.00 174.74 173.44 4rub s ILE 326 N -1.04 0.04 -0.02 0.60 2.07 -0.87 -0.41 121.20 121.57 4rub s ILE 326 Ca 0.15 -0.34 -0.26 0.00 -1.41 0.00 0.00 60.65 58.79 4rub s ILE 326 Cb -0.10 -0.22 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 4rub s ILE 326 CO 0.07 -0.19 0.79 -1.00 -1.91 0.00 0.00 174.94 172.70 4rub s HIS 327 N -0.58 3.63 -0.89 3.50 3.76 -1.23 -0.62 115.29 122.86 4rub s HIS 327 Ca -0.07 1.42 0.09 0.00 -0.15 0.00 0.00 55.06 56.36 4rub s HIS 327 Cb -0.04 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.76 4rub s HIS 327 CO 0.00 0.10 0.63 -1.13 -0.85 0.00 0.00 174.74 173.49 4rub n SER 328 N 3.61 1.23 0.00 1.40 3.41 -0.02 -4.80 113.62 118.45 4rub n SER 328 Ca 0.01 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 4rub n SER 328 Cb 0.51 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.83 0.83 0.00 5.00 0.00 -1.17 -4.95 105.19 105.72 4rub n GLY 329 Ca 0.04 -1.93 0.01 0.00 0.00 0.00 0.00 46.02 44.13 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 1.27 0.00 0.00 2.61 -2.24 -1.26 -4.19 114.28 110.47 4rub n THR 330 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 4rub n THR 330 Cb 0.00 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.36 0.00 1.27 2.28 0.31 -1.25 -4.34 118.33 115.24 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 0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 -3.03 2.52 0.31 -1.26 -4.67 118.33 112.20 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 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 0.21 6.04 0.32 2.92 0.00 -1.26 -4.65 105.19 108.77 4rub n GLY 333 Ca 0.00 -1.63 0.18 0.00 0.00 0.00 0.00 46.02 44.57 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 -6.21 1.61 2.10 -1.51 -3.44 116.57 109.12 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 -0.75 -0.51 -2.00 0.00 0.00 179.45 176.19 4rub s LEU 335 N -7.00 2.62 0.61 7.07 1.43 -1.26 -5.02 118.68 117.14 4rub s LEU 335 Ca -0.05 -1.01 -0.18 0.00 -1.03 0.00 0.00 54.13 51.87 4rub s LEU 335 Cb 0.14 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 4rub s LEU 335 CO 0.48 0.04 0.80 1.21 0.23 0.00 0.00 176.35 179.11 4rub n GLU 336 N -0.63 0.70 0.00 1.70 2.13 -1.26 -4.62 120.64 118.66 4rub n GLU 336 Ca -0.05 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.04 4rub n GLU 336 Cb 0.60 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.30 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 1.46 1.66 3.88 8.31 0.00 -1.26 -4.78 105.19 114.46 4rub n GLY 337 Ca 0.13 0.41 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 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 3.45 0.19 1.61 2.56 -1.26 -3.96 118.70 121.29 4rub s GLU 338 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 54.97 54.63 4rub s GLU 338 Cb 0.00 -3.18 0.12 0.00 2.00 0.00 0.00 34.13 33.07 4rub s GLU 338 CO 0.00 0.77 1.41 -2.13 -0.56 0.00 0.00 175.26 174.75 4rub n ARG 339 N 1.90 -0.28 -0.16 4.30 0.63 -1.26 -0.36 116.66 121.43 4rub n ARG 339 Ca -0.19 1.39 -0.10 0.00 -0.92 0.00 0.00 57.85 58.03 4rub n ARG 339 Cb 0.55 -2.06 -0.00 0.00 0.45 0.00 0.00 32.46 31.39 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 0.77 0.00 6.15 3.32 -1.95 0.14 116.42 124.85 4rub h ASP 340 Ca 0.26 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 4rub h ASP 340 Cb 0.49 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.83 4rub h ASP 340 CO -0.89 0.86 -0.00 0.40 -1.72 0.00 0.00 179.24 177.89 4rub h ILE 341 N 0.65 1.21 -0.31 0.35 1.08 -1.67 -1.55 117.51 117.27 4rub h ILE 341 Ca 0.14 -0.61 0.05 0.00 -0.39 0.00 0.00 64.86 64.05 4rub h ILE 341 Cb 0.44 1.62 -0.05 0.00 -3.07 0.00 0.00 36.82 35.77 4rub h ILE 341 CO 0.02 0.16 0.03 0.74 -0.69 0.00 0.00 178.15 178.41 4rub h THR 342 N -0.26 0.81 -0.61 -0.27 2.02 -0.28 -0.72 112.91 113.60 4rub h THR 342 Ca -0.00 -0.05 0.07 0.00 0.77 0.00 0.00 66.41 67.21 4rub h THR 342 Cb 0.26 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 4rub h THR 342 CO 0.00 0.02 0.41 -0.07 0.37 0.00 0.00 175.52 176.25 4rub h LEU 343 N 0.13 0.49 0.80 2.58 3.38 -0.55 -1.14 115.31 121.00 4rub h LEU 343 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 4rub h LEU 343 Cb 0.18 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.84 4rub h LEU 343 CO -0.22 0.31 -0.38 1.23 0.09 0.00 0.00 178.44 179.46 4rub h GLY 344 N 0.55 -1.12 2.00 0.83 0.00 -0.12 -2.89 103.07 102.32 4rub h GLY 344 Ca 0.27 0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.99 4rub h GLY 344 CO -0.08 -0.41 -0.12 0.27 0.00 0.00 0.00 176.54 176.21 4rub h PHE 345 N -1.26 0.00 -0.17 5.60 -5.15 -1.13 -2.73 116.94 112.11 4rub h PHE 345 Ca -0.11 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.68 4rub h PHE 345 Cb 0.82 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.97 4rub h PHE 345 CO 0.01 0.12 0.04 0.28 -2.00 0.00 0.00 178.31 176.76 4rub h VAL 346 N 0.00 0.94 -0.70 0.88 2.07 -1.20 0.47 116.25 118.71 4rub h VAL 346 Ca -0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 4rub h VAL 346 Cb 0.87 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 4rub h VAL 346 CO 0.02 0.02 0.35 0.44 0.02 0.00 0.00 177.57 178.42 4rub h ASP 347 N 0.12 0.88 -0.33 0.57 3.32 -1.36 0.17 116.42 119.79 4rub h ASP 347 Ca 0.07 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.05 4rub h ASP 347 Cb 0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 4rub h ASP 347 CO -0.09 0.73 0.22 -0.07 -1.72 0.00 0.00 179.24 178.32 4rub h LEU 348 N 0.98 0.35 0.06 1.55 3.38 -0.81 -2.14 115.31 118.69 4rub h LEU 348 Ca 0.24 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.00 4rub h LEU 348 Cb 0.07 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.75 4rub h LEU 348 CO -0.04 0.25 -0.84 -0.07 0.09 0.00 0.00 178.44 177.84 4rub h LEU 349 N 0.41 0.62 0.00 1.67 4.07 0.10 -3.42 115.31 118.77 4rub h LEU 349 Ca 0.13 -0.82 -0.40 0.00 0.08 0.00 0.00 57.88 56.86 4rub h LEU 349 Cb 0.01 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 41.49 4rub h LEU 349 CO -0.03 1.38 -2.48 0.54 -1.08 0.00 0.00 178.44 176.77 4rub n ARG 350 N -4.07 0.64 -1.12 1.13 1.74 -0.64 -0.58 116.66 113.76 4rub n ARG 350 Ca -0.12 0.17 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 4rub n ARG 350 Cb 0.80 -1.52 0.18 0.00 -1.02 0.00 0.00 32.46 30.90 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 -6.66 2.49 -0.12 0.55 1.01 -0.81 -4.45 116.67 108.67 4rub s ASP 351 Ca -0.35 1.22 -0.13 0.00 0.71 0.00 0.00 52.55 54.00 4rub s ASP 351 Cb 0.10 -1.89 -0.26 0.00 1.01 0.00 0.00 42.92 41.87 4rub s ASP 351 CO 0.59 -3.22 0.44 -0.78 0.21 0.00 0.00 175.17 172.41 4rub h ASP 352 N -1.95 0.36 -3.35 0.27 3.58 -1.91 -3.45 116.42 109.96 4rub h ASP 352 Ca -0.55 -0.85 -0.51 0.00 0.42 0.00 0.00 57.03 55.54 4rub h ASP 352 Cb 1.33 -0.12 -0.34 0.00 1.72 0.00 0.00 39.33 41.92 4rub h ASP 352 CO 0.57 1.71 -0.81 0.12 -2.88 0.00 0.00 179.24 177.95 4rub s PHE 353 N -2.50 1.43 -0.13 0.28 5.36 -1.26 0.64 117.98 121.79 4rub s PHE 353 Ca -0.22 -0.58 -0.00 0.00 -0.96 0.00 0.00 56.93 55.17 4rub s PHE 353 Cb 0.06 -1.09 0.03 0.00 -0.34 0.00 0.00 43.02 41.67 4rub s PHE 353 CO 0.75 -0.34 -0.07 0.08 -1.46 0.00 0.00 175.22 174.18 4rub s VAL 354 N 0.96 1.04 0.23 3.12 1.01 -0.10 -4.97 120.40 121.70 4rub s VAL 354 Ca -0.09 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 4rub s VAL 354 Cb -0.15 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.03 4rub s VAL 354 CO 0.00 0.29 1.08 -0.70 0.00 0.00 0.00 175.10 175.77 4rub s GLU 355 N 1.69 4.65 0.16 2.72 2.56 -1.26 0.24 118.70 129.46 4rub s GLU 355 Ca 0.04 1.73 -0.34 0.00 0.00 0.00 0.00 54.97 56.39 4rub s GLU 355 Cb -0.13 -3.24 -0.15 0.00 2.00 0.00 0.00 34.13 32.61 4rub s GLU 355 CO -0.08 0.20 1.35 0.94 -0.56 0.00 0.00 175.26 177.12 4rub n GLN 356 N 1.68 1.55 -3.29 4.30 7.27 -1.26 -4.83 117.38 122.80 4rub n GLN 356 Ca 0.00 0.55 -0.09 0.00 0.07 0.00 0.00 57.00 57.54 4rub n GLN 356 Cb 0.46 -2.19 -0.05 0.00 2.41 0.00 0.00 30.24 30.87 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 0.40 -0.09 0.65 1.69 2.15 -0.28 -4.94 116.67 116.24 4rub s ASP 357 Ca 0.77 -1.18 0.27 0.00 0.43 0.00 0.00 52.55 52.84 4rub s ASP 357 Cb -0.80 1.22 1.42 0.00 -0.30 0.00 0.00 42.92 44.46 4rub s ASP 357 CO 0.47 -0.22 1.81 0.03 -0.17 0.00 0.00 175.17 177.09 4rub h ARG 358 N 7.06 0.00 0.34 4.34 3.08 -1.93 -0.27 114.38 127.00 4rub h ARG 358 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 4rub h ARG 358 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 4rub h ARG 358 CO 0.16 0.00 -0.32 0.66 -1.07 0.00 0.00 179.97 179.39 4rub h SER 359 N 0.00 -0.88 -0.01 7.04 4.64 -1.94 -3.02 113.55 119.39 4rub h SER 359 Ca 0.06 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 4rub h SER 359 Cb 0.96 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 4rub h SER 359 CO -0.00 -0.43 0.00 0.54 -0.87 0.00 0.00 176.83 176.07 4rub n ARG 360 N -4.33 1.07 -0.92 4.77 1.74 -0.12 -4.89 116.66 113.97 4rub n ARG 360 Ca -0.08 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 4rub n ARG 360 Cb 0.30 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.19 0.69 3.50 -0.13 0.00 -1.14 -4.38 105.19 103.91 4rub n GLY 361 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.65 4.23 0.02 -0.61 1.01 -1.15 -4.92 121.20 117.13 4rub s ILE 362 Ca 0.00 -0.66 0.32 0.00 0.00 0.00 0.00 60.65 60.32 4rub s ILE 362 Cb 0.00 -4.84 0.37 0.00 0.01 0.00 0.00 42.46 38.00 4rub s ILE 362 CO 0.00 -1.66 1.95 1.88 0.00 0.00 0.00 174.94 177.11 4rub h TYR 363 N 9.50 0.00 -3.84 3.97 -1.99 -1.91 -0.74 116.97 121.96 4rub h TYR 363 Ca -0.05 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.39 4rub h TYR 363 Cb 1.04 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 39.58 4rub h TYR 363 CO 1.13 0.00 -0.73 -0.06 -0.00 0.00 0.00 178.16 178.50 4rub s PHE 364 N -3.63 0.91 0.20 4.88 0.08 -1.26 -4.91 117.98 114.26 4rub s PHE 364 Ca 0.01 -0.64 -0.30 0.00 0.12 0.00 0.00 56.93 56.12 4rub s PHE 364 Cb 0.09 -0.52 -0.08 0.00 -0.57 0.00 0.00 43.02 41.94 4rub s PHE 364 CO 0.51 -0.05 1.17 0.99 -0.10 0.00 0.00 175.22 177.74 4rub s THR 365 N -2.24 3.58 -0.16 0.64 2.01 -1.26 -4.04 115.64 114.17 4rub s THR 365 Ca 0.01 1.37 0.00 0.00 0.31 0.00 0.00 61.69 63.39 4rub s THR 365 Cb -0.04 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.60 4rub s THR 365 CO -0.01 0.24 -0.16 -1.58 -0.69 0.00 0.00 174.62 172.42 4rub s GLN 366 N -0.47 3.16 -0.19 4.92 2.00 0.65 -4.90 119.66 124.83 4rub s GLN 366 Ca 0.51 -0.77 -0.03 0.00 -2.00 0.00 0.00 55.36 53.07 4rub s GLN 366 Cb -0.32 -2.62 -0.01 0.00 0.80 0.00 0.00 33.01 30.86 4rub s GLN 366 CO 0.37 -0.04 -0.05 0.34 -0.50 0.00 0.00 175.29 175.42 4rub s ASP 367 N 0.94 4.40 -0.06 6.67 2.15 -1.26 -0.92 116.67 128.59 4rub s ASP 367 Ca -0.03 -0.32 0.16 0.00 0.43 0.00 0.00 52.55 52.79 4rub s ASP 367 Cb -0.15 -1.74 0.56 0.00 -0.30 0.00 0.00 42.92 41.29 4rub s ASP 367 CO -0.03 0.05 1.45 0.79 -0.17 0.00 0.00 175.17 177.26 4rub n TRP 368 N 4.33 1.05 -3.43 -5.34 7.02 0.21 -4.54 117.44 116.72 4rub n TRP 368 Ca -0.18 -0.45 -0.10 0.00 -1.02 0.00 0.00 57.50 55.75 4rub n TRP 368 Cb 0.51 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 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 1.01 -0.76 -1.65 -0.99 0.24 -1.26 0.26 118.33 115.18 4rub n VAL 369 Ca 0.20 -0.10 -0.19 0.00 -2.04 0.00 0.00 64.34 62.22 4rub n VAL 369 Cb 0.65 -0.66 -0.07 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.07 -4.99 -4.77 -1.34 7.64 -1.26 -4.95 113.62 103.88 4rub n SER 370 Ca -0.05 0.41 -0.39 0.00 1.01 0.00 0.00 58.87 59.84 4rub n SER 370 Cb 0.16 -4.42 -0.01 0.00 -1.01 0.00 0.00 64.21 58.93 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 -4.66 4.27 0.73 -3.43 2.96 0.74 -4.93 118.68 114.36 4rub s LEU 371 Ca 0.00 2.56 -0.16 0.00 -0.22 0.00 0.00 54.13 56.32 4rub s LEU 371 Cb 0.00 -3.86 0.02 0.00 0.50 0.00 0.00 46.19 42.85 4rub s LEU 371 CO 0.00 -0.70 1.05 -2.65 -1.32 0.00 0.00 176.35 172.72 4rub n PRO 372 N 0.32 0.52 -3.65 0.98 -0.02 -1.26 -4.93 135.00 126.96 4rub n PRO 372 Ca 0.03 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 4rub n PRO 372 Cb 0.44 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.69 2.28 -0.02 -1.23 0.00 -1.26 -4.71 107.32 100.69 4rub s GLY 373 Ca 0.74 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.92 4rub s GLY 373 CO 0.49 -0.34 0.22 0.14 0.00 0.00 0.00 173.10 173.61 4rub s VAL 374 N -1.50 5.38 -0.33 1.40 1.01 0.26 -1.69 120.40 124.92 4rub s VAL 374 Ca 0.36 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 4rub s VAL 374 Cb -0.13 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.74 4rub s VAL 374 CO 0.21 0.39 1.08 -0.22 0.00 0.00 0.00 175.10 176.56 4rub s LEU 375 N -1.70 3.91 0.33 3.92 2.96 -0.74 -4.10 118.68 123.26 4rub s LEU 375 Ca 0.25 1.00 -0.27 0.00 -0.22 0.00 0.00 54.13 54.90 4rub s LEU 375 Cb -0.13 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 4rub s LEU 375 CO 0.15 -0.91 1.09 -2.16 -1.32 0.00 0.00 176.35 173.20 4rub s PRO 376 N 3.72 4.43 -0.20 0.98 0.04 -1.26 -2.04 135.00 140.66 4rub s PRO 376 Ca 0.46 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 4rub s PRO 376 Cb -0.12 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.49 4rub s PRO 376 CO 0.17 0.04 -0.07 0.08 0.04 0.00 0.00 177.00 177.26 4rub s VAL 377 N -1.35 3.28 -0.41 -0.36 1.01 0.21 -1.79 120.40 121.00 4rub s VAL 377 Ca 0.50 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 4rub s VAL 377 Cb -0.28 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.66 4rub s VAL 377 CO 0.36 0.45 0.28 0.00 0.00 0.00 0.00 175.10 176.19 4rub s ALA 378 N 1.17 3.40 0.00 5.51 0.00 -0.65 -0.84 121.76 130.37 4rub s ALA 378 Ca 0.02 -1.80 -0.17 0.00 0.00 0.00 0.00 51.96 50.01 4rub s ALA 378 Cb -0.14 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.21 4rub s ALA 378 CO -0.02 -1.48 0.36 0.45 0.00 0.00 0.00 175.76 175.07 4rub s SER 379 N 1.78 -0.24 0.00 0.00 0.15 -1.26 -0.31 113.70 113.82 4rub s SER 379 Ca 0.04 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.77 4rub s SER 379 Cb -0.20 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 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 0.98 1.17 3.44 9.45 0.00 -1.26 -4.65 105.19 114.32 4rub n GLY 380 Ca -0.20 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 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 1.08 -0.40 3.40 -0.02 0.00 -1.26 -2.13 105.19 105.86 4rub n GLY 381 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.34 2.33 0.26 -0.61 -4.36 -1.26 -3.71 121.20 110.50 4rub s ILE 382 Ca 0.16 -1.70 -0.09 0.00 -0.26 0.00 0.00 60.65 58.76 4rub s ILE 382 Cb -0.07 -2.03 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 4rub s ILE 382 CO 0.72 0.11 0.41 -1.38 0.24 0.00 0.00 174.94 175.05 4rub s HIS 383 N -1.05 0.65 0.14 1.37 -3.43 -1.26 -4.37 115.29 107.33 4rub s HIS 383 Ca 0.14 -0.96 -0.07 0.00 -0.80 0.00 0.00 55.06 53.37 4rub s HIS 383 Cb -0.10 0.00 0.19 0.00 -1.43 0.00 0.00 32.58 31.24 4rub s HIS 383 CO 0.06 -0.96 0.87 0.28 -2.00 0.00 0.00 174.74 172.99 4rub n VAL 384 N -0.40 -0.26 0.36 -5.38 0.31 -1.26 0.47 118.33 112.16 4rub n VAL 384 Ca -0.00 1.29 0.03 0.00 -0.01 0.00 0.00 64.34 65.65 4rub n VAL 384 Cb 0.63 -1.74 0.18 0.00 -0.91 0.00 0.00 33.84 31.99 4rub n VAL 384 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 4rub n TRP 385 N -4.86 0.00 0.76 3.52 7.02 -1.26 -1.86 117.44 120.75 4rub n TRP 385 Ca 0.07 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.64 4rub n TRP 385 Cb 0.25 -0.15 0.04 0.00 -2.42 0.00 0.00 31.31 29.03 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 -1.15 0.00 -0.26 -5.99 8.25 1.67 -4.71 115.22 113.03 4rub n HIS 386 Ca 0.04 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 4rub n HIS 386 Cb 0.04 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.06 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 2.78 -0.14 -0.13 -0.41 4.05 -1.42 -1.08 114.93 118.59 4rub h MET 387 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 4rub h MET 387 Cb 0.67 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 4rub h MET 387 CO 0.00 -0.09 0.08 -1.00 0.23 0.00 0.00 176.91 176.13 4rub h PRO 388 N -0.14 0.15 -0.00 0.39 0.13 -1.84 0.39 132.00 131.08 4rub h PRO 388 Ca 0.11 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 4rub h PRO 388 Cb 0.42 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.52 4rub h PRO 388 CO -0.69 0.10 -0.03 0.00 -0.23 0.00 0.00 178.00 177.15 4rub h ALA 389 N 1.92 0.01 0.55 -0.56 0.00 -1.60 -2.49 119.26 117.09 4rub h ALA 389 Ca 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 4rub h ALA 389 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 4rub h ALA 389 CO -0.01 -0.11 -0.42 -0.07 0.00 0.00 0.00 179.25 178.65 4rub h LEU 390 N -0.69 -1.09 -0.93 0.00 3.38 -0.93 0.40 115.31 115.45 4rub h LEU 390 Ca -0.00 0.08 0.27 0.00 0.09 0.00 0.00 57.88 58.31 4rub h LEU 390 Cb 0.76 0.34 -0.14 0.00 0.09 0.00 0.00 40.66 41.71 4rub h LEU 390 CO 0.01 -0.61 0.38 0.74 0.09 0.00 0.00 178.44 179.05 4rub h THR 391 N -0.94 0.32 0.61 0.22 2.02 -0.33 0.87 112.91 115.68 4rub h THR 391 Ca -0.06 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 4rub h THR 391 Cb 0.79 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 4rub h THR 391 CO 0.01 0.05 -0.29 -0.08 0.37 0.00 0.00 175.52 175.58 4rub h GLU 392 N 0.27 -0.79 -0.93 6.66 4.22 -0.69 0.46 114.58 123.78 4rub h GLU 392 Ca 0.63 0.05 0.01 0.00 0.08 0.00 0.00 59.36 60.13 4rub h GLU 392 Cb 1.34 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.72 4rub h GLU 392 CO -0.63 -0.53 0.62 0.82 -2.18 0.00 0.00 179.01 177.11 4rub h ILE 393 N -1.02 1.24 0.00 2.32 2.04 0.41 -3.32 117.51 119.18 4rub h ILE 393 Ca -0.08 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 4rub h ILE 393 Cb 0.63 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 4rub h ILE 393 CO 0.14 0.23 -2.02 0.49 0.00 0.00 0.00 178.15 176.99 4rub n PHE 394 N -4.43 0.04 -0.49 1.37 3.72 0.30 -4.99 117.46 112.97 4rub n PHE 394 Ca 0.11 0.01 0.06 0.00 -0.05 0.00 0.00 57.45 57.58 4rub n PHE 394 Cb 0.01 -0.59 -0.02 0.00 -0.94 0.00 0.00 39.48 37.94 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 1.33 -1.96 0.20 1.37 0.00 0.15 -4.39 105.19 101.89 4rub n GLY 395 Ca -0.08 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.47 -0.40 -0.25 1.61 3.32 -1.88 -3.31 116.42 115.04 4rub h ASP 396 Ca -0.02 0.14 -0.61 0.00 0.02 0.00 0.00 57.03 56.56 4rub h ASP 396 Cb 0.46 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 4rub h ASP 396 CO 0.01 -0.14 2.28 0.47 -1.72 0.00 0.00 179.24 180.14 4rub n ASP 397 N -5.33 3.46 -3.59 6.45 8.00 -1.26 -2.35 116.55 121.93 4rub n ASP 397 Ca 0.05 -2.77 -0.10 0.00 0.71 0.00 0.00 54.79 52.68 4rub n ASP 397 Cb 0.27 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.12 39.84 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 4.64 -0.43 -0.14 -2.24 1.04 -1.25 -4.41 113.70 110.92 4rub s SER 398 Ca 0.56 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.79 4rub s SER 398 Cb 0.09 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.84 4rub s SER 398 CO 0.06 -1.05 -0.21 -0.69 0.98 0.00 0.00 173.24 172.32 4rub s VAL 399 N -3.71 2.01 -0.21 5.02 1.01 -0.74 -0.95 120.40 122.83 4rub s VAL 399 Ca 0.05 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 4rub s VAL 399 Cb -0.03 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 4rub s VAL 399 CO -0.05 0.54 -0.05 -0.76 0.00 0.00 0.00 175.10 174.78 4rub s LEU 400 N 0.86 2.90 -0.15 3.92 1.43 0.60 -1.63 118.68 126.61 4rub s LEU 400 Ca -0.06 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 4rub s LEU 400 Cb -0.15 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 4rub s LEU 400 CO -0.03 -0.01 0.10 -1.10 0.23 0.00 0.00 176.35 175.55 4rub s GLN 401 N 1.39 3.67 -0.43 1.70 -0.21 0.58 -1.80 119.66 124.57 4rub s GLN 401 Ca 0.05 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.22 4rub s GLN 401 Cb -0.14 -3.20 0.12 0.00 1.00 0.00 0.00 33.01 30.79 4rub s GLN 401 CO -0.03 0.55 0.20 -0.06 -2.12 0.00 0.00 175.29 173.84 4rub s PHE 402 N -0.40 2.51 0.00 0.91 0.08 0.15 -4.15 117.98 117.09 4rub s PHE 402 Ca 0.11 -2.62 0.00 0.00 0.12 0.00 0.00 56.93 54.54 4rub s PHE 402 Cb -0.12 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 4rub s PHE 402 CO 0.02 -0.81 0.09 0.41 -0.10 0.00 0.00 175.22 174.83 4rub n GLY 403 N 3.70 0.16 0.37 4.36 0.00 -1.26 -2.85 105.19 109.65 4rub n GLY 403 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 1.41 1.62 -0.02 0.00 -1.92 -1.23 103.07 102.93 4rub h GLY 404 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 4rub h GLY 404 CO 0.00 0.44 0.02 0.61 0.00 0.00 0.00 176.54 177.61 4rub n GLY 405 N -1.37 -0.34 1.16 4.60 0.00 -1.26 -0.66 105.19 107.33 4rub n GLY 405 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 4rub n GLY 405 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 4rub n THR 406 N -1.33 0.69 0.51 2.61 -1.04 -0.80 -4.68 114.28 110.24 4rub n THR 406 Ca 0.00 0.23 0.06 0.00 -2.04 0.00 0.00 64.05 62.29 4rub n THR 406 Cb 0.02 -1.24 0.28 0.00 -1.82 0.00 0.00 70.33 67.58 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 -3.14 0.00 -0.06 -4.42 4.32 -0.53 -2.38 117.00 110.78 4rub n LEU 407 Ca 0.00 0.36 0.12 0.00 -0.02 0.00 0.00 56.01 56.47 4rub n LEU 407 Cb 0.00 -0.36 0.22 0.00 -1.62 0.00 0.00 43.42 41.65 4rub n LEU 407 CO 0.00 -0.22 0.42 0.61 -1.22 0.00 0.00 177.39 176.98 4rub n GLY 408 N -0.28 -1.05 3.77 -0.72 0.00 0.17 -4.84 105.19 102.23 4rub n GLY 408 Ca 0.05 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.89 3.21 0.58 1.61 5.04 -1.00 -4.91 115.29 116.92 4rub s HIS 409 Ca 0.13 1.52 0.30 0.00 -1.54 0.00 0.00 55.06 55.47 4rub s HIS 409 Cb 0.18 -3.53 1.43 0.00 0.04 0.00 0.00 32.58 30.69 4rub s HIS 409 CO 0.68 -1.41 1.81 -1.00 -2.34 0.00 0.00 174.74 172.48 4rub h PRO 410 N 3.44 0.00 -0.37 2.88 0.13 -1.92 -2.36 132.00 133.81 4rub h PRO 410 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.66 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.34 4rub n TRP 411 N -3.82 1.24 -0.32 1.56 8.01 -1.26 -5.09 117.44 117.76 4rub n TRP 411 Ca 0.15 -0.80 0.00 0.00 -1.31 0.00 0.00 57.50 55.54 4rub n TRP 411 Cb 0.92 -0.34 0.00 0.00 -2.01 0.00 0.00 31.31 29.88 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 -0.04 -2.49 0.37 6.99 0.00 -0.89 -4.61 105.19 104.52 4rub n GLY 412 Ca 0.23 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.12 0.12 1.61 4.21 -1.86 -2.39 115.58 116.15 4rub h ASN 413 Ca 0.00 0.15 0.02 0.00 1.21 0.00 0.00 56.30 57.68 4rub h ASN 413 Cb 0.00 0.45 -0.05 0.00 -1.12 0.00 0.00 38.32 37.61 4rub h ASN 413 CO 0.00 -0.41 -0.45 0.00 -1.29 0.00 0.00 177.43 175.28 4rub h ALA 414 N 0.18 -0.82 -0.12 -0.83 0.00 -1.85 0.02 119.26 115.85 4rub h ALA 414 Ca 0.07 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.94 4rub h ALA 414 Cb 0.60 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 4rub h ALA 414 CO -0.32 -1.03 -0.20 -1.35 0.00 0.00 0.00 179.25 176.35 4rub h PRO 415 N -0.69 -0.25 -0.70 0.00 0.11 -1.81 -0.18 132.00 128.49 4rub h PRO 415 Ca 0.01 0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.29 4rub h PRO 415 Cb 0.71 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.83 4rub h PRO 415 CO -0.26 -0.17 0.48 0.78 -0.21 0.00 0.00 178.00 178.62 4rub h GLY 416 N -0.26 0.50 0.52 -0.55 0.00 -1.14 0.52 103.07 102.65 4rub h GLY 416 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 4rub h GLY 416 CO -0.27 0.04 -0.25 0.00 0.00 0.00 0.00 176.54 176.07 4rub h ALA 417 N 1.67 -0.87 -0.86 3.60 0.00 0.47 -2.48 119.26 120.79 4rub h ALA 417 Ca 0.34 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.29 4rub h ALA 417 Cb 0.92 0.27 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 4rub h ALA 417 CO -0.08 -0.82 -0.13 0.28 0.00 0.00 0.00 179.25 178.50 4rub h VAL 418 N -0.93 0.16 0.00 0.00 2.07 -0.04 -0.08 116.25 117.42 4rub h VAL 418 Ca -0.07 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.44 4rub h VAL 418 Cb 0.53 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 4rub h VAL 418 CO 0.12 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.71 4rub n ALA 419 N -3.27 -0.04 -0.23 1.67 0.00 0.07 -0.38 120.51 118.34 4rub n ALA 419 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.70 4rub n ALA 419 Cb 0.50 0.39 0.39 0.00 0.00 0.00 0.00 19.45 20.73 4rub n ALA 419 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 4rub h ASN 420 N 0.00 0.62 -0.11 0.00 4.21 -0.78 0.13 115.58 119.65 4rub h ASN 420 Ca 0.00 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 4rub h ASN 420 Cb 0.00 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.10 4rub h ASN 420 CO 0.00 0.34 0.04 -0.09 -1.29 0.00 0.00 177.43 176.43 4rub h ARG 421 N 0.67 0.17 0.50 0.81 9.65 0.84 -1.47 114.38 125.55 4rub h ARG 421 Ca 0.40 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.23 4rub h ARG 421 Cb 0.60 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 4rub h ARG 421 CO -0.16 0.29 -0.34 0.28 2.80 0.00 0.00 179.97 182.84 4rub h VAL 422 N 0.01 0.30 -0.91 0.20 2.07 -0.18 0.44 116.25 118.18 4rub h VAL 422 Ca 0.04 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.79 4rub h VAL 422 Cb 0.19 0.30 -0.17 0.00 -1.52 0.00 0.00 31.29 30.09 4rub h VAL 422 CO -0.00 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.60 4rub h ALA 423 N -0.42 1.02 -0.25 1.67 0.00 -0.64 0.75 119.26 121.39 4rub h ALA 423 Ca -0.06 0.31 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 4rub h ALA 423 Cb 0.68 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.01 4rub h ALA 423 CO 0.03 -0.50 -0.44 1.25 0.00 0.00 0.00 179.25 179.59 4rub h LEU 424 N 0.05 0.82 -1.18 0.00 5.85 -0.67 -0.88 115.31 119.31 4rub h LEU 424 Ca 0.53 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 4rub h LEU 424 Cb 1.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 4rub h LEU 424 CO -0.84 1.20 -0.37 -0.33 -0.34 0.00 0.00 178.44 177.76 4rub h GLU 425 N 0.47 0.00 0.05 1.25 5.08 0.24 0.38 114.58 122.05 4rub h GLU 425 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 4rub h GLU 425 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 4rub h GLU 425 CO 0.10 0.37 -0.02 0.00 -1.00 0.00 0.00 179.01 178.45 4rub h ALA 426 N 1.63 -0.06 -0.78 3.43 0.00 0.59 -2.13 119.26 121.94 4rub h ALA 426 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 4rub h ALA 426 Cb 0.75 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 4rub h ALA 426 CO 0.05 -0.34 0.46 0.00 0.00 0.00 0.00 179.25 179.42 4rub h VAL 428 N 1.07 0.95 -0.59 0.00 2.07 -0.75 -1.63 116.25 117.37 4rub h VAL 428 Ca 0.28 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.58 4rub h VAL 428 Cb -0.02 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 4rub h VAL 428 CO -0.05 0.07 0.05 0.50 0.02 0.00 0.00 177.57 178.16 4rub h LYS 429 N 0.39 1.01 -0.05 1.57 3.64 -1.23 0.19 116.57 122.08 4rub h LYS 429 Ca 0.18 -0.30 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 4rub h LYS 429 Cb 0.10 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 4rub h LYS 429 CO -0.14 0.98 -0.03 0.00 -2.27 0.00 0.00 179.45 177.98 4rub h ALA 430 N 1.00 0.01 0.25 5.00 0.00 -1.26 1.60 119.26 125.86 4rub h ALA 430 Ca 0.17 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.12 4rub h ALA 430 Cb 0.49 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 4rub h ALA 430 CO 0.02 -0.51 -0.38 -0.09 0.00 0.00 0.00 179.25 178.29 4rub h ARG 431 N -0.04 -0.67 -0.90 0.00 2.43 -1.05 0.29 114.38 114.46 4rub h ARG 431 Ca 0.03 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 4rub h ARG 431 Cb 0.09 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 4rub h ARG 431 CO -0.08 -0.45 0.58 -0.91 -1.51 0.00 0.00 179.97 177.61 4rub h ASN 432 N -0.69 0.85 0.39 -3.80 4.21 0.35 0.13 115.58 117.02 4rub h ASN 432 Ca -0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 4rub h ASN 432 Cb 0.67 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 4rub h ASN 432 CO -0.15 0.52 0.00 -0.62 -1.29 0.00 0.00 177.43 175.90 4rub n GLU 433 N -4.51 0.19 -0.01 0.81 -0.58 0.54 -4.85 120.64 112.22 4rub n GLU 433 Ca 0.14 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 4rub n GLU 433 Cb 0.25 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 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 0.20 0.99 3.53 0.62 0.00 0.03 -5.08 105.19 105.48 4rub n GLY 434 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.99 -1.15 -0.46 1.61 0.52 0.95 -4.97 118.95 114.46 4rub s ARG 435 Ca 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 4rub s ARG 435 Cb 0.00 -1.57 0.12 0.00 0.52 0.00 0.00 34.95 34.02 4rub s ARG 435 CO 0.00 -3.74 0.23 0.34 0.02 0.00 0.00 175.30 172.15 4rub s ASP 436 N -3.35 4.97 0.31 0.23 -1.08 -1.26 -4.58 116.67 111.91 4rub s ASP 436 Ca 0.69 -2.42 0.07 0.00 -0.52 0.00 0.00 52.55 50.37 4rub s ASP 436 Cb -0.16 -1.75 0.88 0.00 -1.46 0.00 0.00 42.92 40.43 4rub s ASP 436 CO 0.59 -0.41 1.63 -0.07 0.52 0.00 0.00 175.17 177.43 4rub h LEU 437 N 7.44 0.10 0.46 -1.34 -0.00 -1.90 0.39 115.31 120.46 4rub h LEU 437 Ca -0.07 0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 4rub h LEU 437 Cb 0.99 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 4rub h LEU 437 CO 0.66 -0.21 -0.22 0.00 -0.00 0.00 0.00 178.44 178.67 4rub h ALA 438 N 1.85 -0.61 -0.29 1.53 0.00 -1.93 0.53 119.26 120.33 4rub h ALA 438 Ca 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.37 4rub h ALA 438 Cb 1.40 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.42 4rub h ALA 438 CO -0.69 -0.63 0.00 1.04 0.00 0.00 0.00 179.25 178.97 4rub n GLN 439 N -5.21 0.00 0.00 0.00 6.02 -0.82 -3.88 117.38 113.49 4rub n GLN 439 Ca -0.09 0.45 0.03 0.00 -0.01 0.00 0.00 57.00 57.37 4rub n GLN 439 Cb 0.29 -1.27 0.16 0.00 1.02 0.00 0.00 30.24 30.44 4rub n GLN 439 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 4rub n GLU 440 N -1.85 0.18 0.00 -1.09 1.02 0.13 -4.48 120.64 114.55 4rub n GLU 440 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 4rub n GLU 440 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 -0.63 0.00 0.39 0.62 0.00 0.18 -2.34 105.19 103.41 4rub n GLY 441 Ca 0.04 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.00 0.06 1.61 2.85 -1.26 -0.07 115.26 118.44 4rub n ASN 442 Ca 0.00 0.55 -0.22 0.00 -0.11 0.00 0.00 54.58 54.81 4rub n ASN 442 Cb 0.00 -0.22 -0.15 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 0.34 -0.65 1.20 4.57 -1.81 -3.06 114.58 115.16 4rub h GLU 443 Ca 0.42 -0.58 0.13 0.00 -1.18 0.00 0.00 59.36 58.15 4rub h GLU 443 Cb 2.14 0.21 -0.13 0.00 -0.16 0.00 0.00 28.75 30.82 4rub h GLU 443 CO -0.00 1.28 -0.20 0.82 -1.18 0.00 0.00 179.01 179.72 4rub h ILE 444 N -0.20 0.29 0.08 2.32 2.04 -0.39 2.64 117.51 124.29 4rub h ILE 444 Ca -0.24 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.39 4rub h ILE 444 Cb 1.83 0.29 0.02 0.00 -0.74 0.00 0.00 36.82 38.23 4rub h ILE 444 CO 0.15 0.00 -0.91 0.16 0.00 0.00 0.00 178.15 177.54 4rub h ILE 445 N -0.04 1.38 -1.03 -0.67 -0.00 -1.70 -2.94 117.51 112.52 4rub h ILE 445 Ca 0.30 -2.33 0.26 0.00 -0.00 0.00 0.00 64.86 63.10 4rub h ILE 445 Cb 0.51 2.75 -0.09 0.00 -0.00 0.00 0.00 36.82 39.99 4rub h ILE 445 CO -0.69 0.69 0.66 -0.09 -0.00 0.00 0.00 178.15 178.72 4rub h ARG 446 N 0.01 0.40 -0.28 0.16 2.43 -0.97 0.58 114.38 116.71 4rub h ARG 446 Ca -0.14 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.86 4rub h ARG 446 Cb 1.63 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 4rub h ARG 446 CO 0.18 0.27 -0.44 0.93 -1.51 0.00 0.00 179.97 179.39 4rub h GLU 447 N 0.41 0.71 -0.21 0.20 5.08 0.46 -3.10 114.58 118.13 4rub h GLU 447 Ca 0.59 -0.39 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 4rub h GLU 447 Cb 1.46 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.73 4rub h GLU 447 CO -0.30 1.01 -0.42 0.00 -1.00 0.00 0.00 179.01 178.29 4rub h ALA 448 N 0.94 0.34 -0.93 3.43 0.00 -0.22 -2.28 119.26 120.53 4rub h ALA 448 Ca 0.04 -0.46 0.16 0.00 0.00 0.00 0.00 54.91 54.65 4rub h ALA 448 Cb 0.99 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 4rub h ALA 448 CO 0.09 0.45 0.53 0.00 0.00 0.00 0.00 179.25 180.32 4rub h LYS 450 N 0.71 0.08 0.00 0.00 1.57 -1.33 -2.97 116.57 114.64 4rub h LYS 450 Ca 0.52 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 4rub h LYS 450 Cb 0.74 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.04 4rub h LYS 450 CO -0.36 0.05 -0.33 0.11 -0.57 0.00 0.00 179.45 178.35 4rub h TRP 451 N 0.08 0.00 -3.62 -1.35 5.08 -0.89 -3.44 115.95 111.80 4rub h TRP 451 Ca 0.16 0.00 -0.68 0.00 1.08 0.00 0.00 58.89 59.45 4rub h TRP 451 Cb 0.22 0.00 -0.29 0.00 -3.00 0.00 0.00 29.16 26.09 4rub h TRP 451 CO -0.25 0.00 -0.66 0.45 -1.28 0.00 0.00 178.44 176.71 4rub s SER 452 N -5.44 4.97 0.22 0.11 0.15 0.04 -5.00 113.70 108.75 4rub s SER 452 Ca 0.06 -0.93 -0.08 0.00 0.70 0.00 0.00 55.95 55.70 4rub s SER 452 Cb 0.09 -1.81 0.36 0.00 -1.71 0.00 0.00 66.02 62.95 4rub s SER 452 CO 0.69 -0.22 1.71 -0.65 1.20 0.00 0.00 173.24 175.97 4rub h PRO 453 N 8.15 0.29 -0.29 5.44 0.11 -1.86 1.19 132.00 145.03 4rub h PRO 453 Ca -0.28 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 4rub h PRO 453 Cb 1.10 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 4rub h PRO 453 CO 0.59 0.19 -0.22 0.93 -0.21 0.00 0.00 178.00 179.28 4rub h GLU 454 N 0.30 0.66 -0.36 1.05 3.07 -1.94 -2.22 114.58 115.13 4rub h GLU 454 Ca 0.36 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 4rub h GLU 454 Cb 0.55 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 4rub h GLU 454 CO -0.43 0.93 0.23 1.25 -1.40 0.00 0.00 179.01 179.59 4rub h LEU 455 N 0.40 0.43 0.06 1.33 5.85 -1.30 -3.00 115.31 119.07 4rub h LEU 455 Ca 0.05 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 4rub h LEU 455 Cb 0.77 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 4rub h LEU 455 CO 0.06 0.33 -0.30 0.00 -0.34 0.00 0.00 178.44 178.19 4rub h ALA 456 N 1.11 -0.80 -0.86 1.25 0.00 0.15 -1.37 119.26 118.74 4rub h ALA 456 Ca 0.13 -0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.33 4rub h ALA 456 Cb -0.02 0.72 -0.16 0.00 0.00 0.00 0.00 17.79 18.33 4rub h ALA 456 CO -0.03 -0.88 0.44 0.00 0.00 0.00 0.00 179.25 178.78 4rub n ALA 457 N -2.73 0.86 0.10 0.00 0.00 -0.85 -0.15 120.51 117.74 4rub n ALA 457 Ca -0.05 0.88 -0.11 0.00 0.00 0.00 0.00 53.44 54.16 4rub n ALA 457 Cb 0.23 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 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 1.72 -0.31 -0.68 0.00 0.00 -1.18 -3.23 119.26 115.58 4rub h ALA 458 Ca 0.72 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.55 4rub h ALA 458 Cb 1.89 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 19.67 4rub h ALA 458 CO -0.67 -0.41 -0.29 0.00 0.00 0.00 0.00 179.25 177.89 4rub h GLU 460 N -0.09 0.50 -0.14 0.00 4.39 -1.48 -0.25 114.58 117.52 4rub h GLU 460 Ca 0.29 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 4rub h GLU 460 Cb 0.55 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 4rub h GLU 460 CO -0.74 0.33 0.04 0.28 -1.16 0.00 0.00 179.01 177.76 4rub h VAL 461 N 0.52 1.19 -0.62 3.13 2.07 -1.33 -3.27 116.25 117.94 4rub h VAL 461 Ca 0.26 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.20 4rub h VAL 461 Cb 0.21 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 4rub h VAL 461 CO -0.20 0.17 0.00 0.79 0.02 0.00 0.00 177.57 178.35 4rub n TRP 462 N -4.85 0.90 -0.11 1.57 8.01 -0.68 -4.75 117.44 117.54 4rub n TRP 462 Ca -0.05 -0.52 -0.04 0.00 -1.31 0.00 0.00 57.50 55.58 4rub n TRP 462 Cb 0.15 -0.04 -0.03 0.00 -2.01 0.00 0.00 31.31 29.37 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 3.63 -0.05 0.00 -0.99 3.64 -1.09 -2.57 116.57 119.13 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 0.98 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 4rub h LYS 463 CO 0.03 -0.04 0.00 0.39 -2.27 0.00 0.00 179.45 177.56 4rub n GLU 464 N -3.73 0.53 -3.21 1.90 -0.58 -1.26 -4.87 120.64 109.42 4rub n GLU 464 Ca -0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 4rub n GLU 464 Cb 0.10 -1.37 -0.06 0.00 -0.57 0.00 0.00 31.44 29.55 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 5.01 0.20 -3.67 -1.09 -0.97 -5.06 121.20 113.61 4rub s ILE 465 Ca 0.19 1.19 -0.11 0.00 -2.23 0.00 0.00 60.65 59.69 4rub s ILE 465 Cb 0.09 -3.91 -0.00 0.00 -1.58 0.00 0.00 42.46 37.05 4rub s ILE 465 CO 0.14 0.37 0.37 0.68 -1.23 0.00 0.00 174.94 175.27 4rub s VAL 466 N 0.15 0.03 -0.48 2.92 -7.23 -1.26 -5.07 120.40 109.46 4rub s VAL 466 Ca 0.31 -1.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.19 4rub s VAL 466 Cb -0.17 -1.98 0.36 0.00 0.56 0.00 0.00 36.38 35.14 4rub s VAL 466 CO 0.15 -0.15 0.88 0.49 -0.31 0.00 0.00 175.10 176.16 4rub n PHE 467 N -0.29 2.40 -3.13 2.82 3.01 -1.26 -5.06 117.46 115.95 4rub n PHE 467 Ca -0.05 -3.81 -0.39 0.00 1.01 0.00 0.00 57.45 54.21 4rub n PHE 467 Cb 0.63 -0.43 -0.05 0.00 -0.01 0.00 0.00 39.48 39.62 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 -3.07 6.90 -0.28 4.37 2.47 -1.26 -4.83 114.94 119.25 4rub s ASN 468 Ca 0.44 1.08 -0.20 0.00 0.42 0.00 0.00 52.86 54.61 4rub s ASN 468 Cb 0.32 -2.37 0.10 0.00 -1.45 0.00 0.00 41.25 37.85 4rub s ASN 468 CO -0.11 -0.06 0.84 -0.36 -3.72 0.00 0.00 177.10 173.68 4rub s PHE 469 N 0.66 -0.76 -0.34 0.43 0.40 -1.26 -5.13 117.98 111.98 4rub s PHE 469 Ca 0.34 1.65 -0.28 0.00 -0.60 0.00 0.00 56.93 58.04 4rub s PHE 469 Cb -0.17 0.42 -0.06 0.00 0.51 0.00 0.00 43.02 43.72 4rub s PHE 469 CO 0.16 -0.37 2.31 0.00 0.70 0.00 0.00 175.22 178.02 4rub n ALA 470 N 3.33 1.34 -1.05 5.36 0.00 -1.26 -4.96 120.51 123.28 4rub n ALA 470 Ca -0.17 -0.51 -0.34 0.00 0.00 0.00 0.00 53.44 52.42 4rub n ALA 470 Cb 0.57 -3.00 0.11 0.00 0.00 0.00 0.00 19.45 17.12 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 13.24 -1.44 -1.93 0.00 0.00 -1.26 -5.07 120.51 124.05 4rub n ALA 471 Ca 0.34 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.38 4rub n ALA 471 Cb 0.47 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 -3.10 0.00 0.00 0.00 0.31 -1.26 -5.17 118.33 109.11 4rub n VAL 472 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 4rub n VAL 472 Cb 0.51 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 4rub n VAL 472 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84