#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hif s ASP 8 N 0.00 5.21 0.28 3.42 3.68 -1.26 -4.95 116.67 123.05 3hif s ASP 8 Ca 0.00 -2.69 0.17 0.00 2.13 0.00 0.00 52.55 52.16 3hif s ASP 8 Cb 0.00 -1.84 0.91 0.00 -1.45 0.00 0.00 42.92 40.54 3hif s ASP 8 CO 0.00 -0.40 1.48 -0.81 0.13 0.00 0.00 175.17 175.57 3hif n PRO 9 N 3.70 0.11 -0.13 4.34 -0.04 -1.26 -1.63 135.00 140.10 3hif n PRO 9 Ca 0.06 0.60 -0.27 0.00 -0.04 0.00 0.00 63.50 63.85 3hif n PRO 9 Cb 0.38 -1.95 -0.11 0.00 -0.04 0.00 0.00 33.50 31.79 3hif n PRO 9 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3hif n THR 10 N -2.10 1.54 0.15 0.52 -1.04 -1.26 -3.96 114.28 108.13 3hif n THR 10 Ca -0.01 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.05 61.51 3hif n THR 10 Cb 0.11 -1.85 -0.06 0.00 -1.82 0.00 0.00 70.33 66.71 3hif n THR 10 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hif h LEU 11 N -0.83 -0.57 -0.79 -4.42 3.38 -1.91 0.87 115.31 111.04 3hif h LEU 11 Ca -0.61 0.05 0.18 0.00 0.09 0.00 0.00 57.88 57.59 3hif h LEU 11 Cb 1.61 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 42.41 3hif h LEU 11 CO -0.32 -0.31 -0.07 -0.33 0.09 0.00 0.00 178.44 177.50 3hif h GLU 12 N -0.46 0.05 0.00 1.13 4.39 -1.55 0.57 114.58 118.71 3hif h GLU 12 Ca -0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3hif h GLU 12 Cb 0.43 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3hif h GLU 12 CO -0.05 0.03 -0.17 2.35 -1.16 0.00 0.00 179.01 180.02 3hif h TRP 13 N 0.05 0.00 0.12 4.33 7.01 -1.58 -3.23 115.95 122.66 3hif h TRP 13 Ca 0.42 0.00 -0.24 0.00 2.11 0.00 0.00 58.89 61.18 3hif h TRP 13 Cb 0.72 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.79 3hif h TRP 13 CO -0.50 0.17 -1.16 0.35 -2.79 0.00 0.00 178.44 174.50 3hif h PHE 14 N 0.00 0.48 -0.38 2.65 3.04 0.12 -3.36 116.94 119.50 3hif h PHE 14 Ca -0.00 -0.35 0.08 0.00 3.98 0.00 0.00 57.97 61.67 3hif h PHE 14 Cb 0.55 -0.02 -0.09 0.00 2.56 0.00 0.00 35.95 38.95 3hif h PHE 14 CO 0.00 1.45 -0.33 -0.07 -2.02 0.00 0.00 178.31 177.34 3hif h LEU 15 N -0.34 -1.11 -1.79 0.59 -0.00 -1.15 0.52 115.31 112.02 3hif h LEU 15 Ca -0.24 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 3hif h LEU 15 Cb 1.71 0.51 0.00 0.00 -0.00 0.00 0.00 40.66 42.88 3hif h LEU 15 CO 0.09 -0.33 0.00 -1.54 -0.00 0.00 0.00 178.44 176.66 3hif n SER 16 N -5.42 0.00 -0.17 -0.43 3.41 -1.22 0.33 113.62 110.12 3hif n SER 16 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3hif n SER 16 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3hif n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hif n HIS 17 N 0.62 0.00 -4.16 7.33 8.25 0.18 -5.09 115.22 122.35 3hif n HIS 17 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 3hif n HIS 17 Cb 0.00 0.11 -0.07 0.00 1.12 0.00 0.00 29.99 31.15 3hif n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hif s HIS 19 N -3.57 2.26 -0.11 0.00 3.76 -0.46 -4.89 115.29 112.27 3hif s HIS 19 Ca 0.34 -1.25 -0.17 0.00 -0.15 0.00 0.00 55.06 53.83 3hif s HIS 19 Cb 0.02 -1.63 -0.05 0.00 1.11 0.00 0.00 32.58 32.03 3hif s HIS 19 CO 0.19 -0.66 0.42 0.42 -0.85 0.00 0.00 174.74 174.25 3hif s ILE 20 N 1.37 5.20 0.21 0.60 1.09 -1.26 -2.04 121.20 126.36 3hif s ILE 20 Ca 0.03 0.84 0.10 0.00 -1.10 0.00 0.00 60.65 60.52 3hif s ILE 20 Cb -0.13 -3.76 -0.05 0.00 -1.06 0.00 0.00 42.46 37.47 3hif s ILE 20 CO -0.10 0.38 -0.20 -1.00 -0.10 0.00 0.00 174.94 173.92 3hif s HIS 21 N 0.36 2.06 -0.21 3.97 3.76 0.74 -4.96 115.29 121.01 3hif s HIS 21 Ca 0.23 -0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.68 3hif s HIS 21 Cb -0.15 -0.97 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 3hif s HIS 21 CO 0.09 0.49 -0.01 0.15 -0.85 0.00 0.00 174.74 174.61 3hif s LYS 22 N -3.11 3.54 -0.31 1.40 1.02 -1.26 -1.18 119.74 119.84 3hif s LYS 22 Ca 0.22 -0.56 -0.04 0.00 0.02 0.00 0.00 55.97 55.62 3hif s LYS 22 Cb -0.05 -3.07 0.04 0.00 -0.52 0.00 0.00 37.83 34.23 3hif s LYS 22 CO 0.10 -0.07 0.04 0.71 -0.92 0.00 0.00 175.35 175.21 3hif s TYR 23 N 1.19 3.24 0.74 3.18 2.02 -0.13 -5.00 117.35 122.60 3hif s TYR 23 Ca 0.03 -1.61 -0.16 0.00 -0.37 0.00 0.00 57.07 54.96 3hif s TYR 23 Cb -0.15 -2.18 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 3hif s TYR 23 CO 0.01 -0.75 0.84 -2.30 -1.57 0.00 0.00 175.55 171.77 3hif n PRO 24 N 4.72 0.38 -1.62 -1.71 -0.02 -1.26 -1.72 135.00 133.76 3hif n PRO 24 Ca -0.13 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 3hif n PRO 24 Cb 0.44 -2.12 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 3hif n PRO 24 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hif n SER 25 N -1.44 1.43 -3.51 2.55 2.88 -1.26 -2.48 113.62 111.79 3hif n SER 25 Ca 0.12 1.06 -0.22 0.00 -1.33 0.00 0.00 58.87 58.50 3hif n SER 25 Cb 0.50 -1.37 0.08 0.00 -0.75 0.00 0.00 64.21 62.67 3hif n SER 25 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3hif n LYS 26 N 0.18 -7.48 -4.38 -1.46 0.00 -0.44 -4.91 118.16 99.67 3hif n LYS 26 Ca 0.09 0.82 -0.30 0.00 -0.00 0.00 0.00 58.31 58.92 3hif n LYS 26 Cb 0.39 -5.84 -0.16 0.00 -0.00 0.00 0.00 35.03 29.41 3hif n LYS 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3hif s SER 27 N -3.63 2.75 0.65 -5.58 0.15 -1.03 -4.88 113.70 102.13 3hif s SER 27 Ca 0.40 -0.51 -0.14 0.00 0.70 0.00 0.00 55.95 56.40 3hif s SER 27 Cb -0.18 -1.25 -0.01 0.00 -1.71 0.00 0.00 66.02 62.87 3hif s SER 27 CO 0.72 0.02 1.07 -0.89 1.20 0.00 0.00 173.24 175.36 3hif s THR 28 N 1.09 3.66 0.01 6.45 2.01 -1.26 -0.64 115.64 126.95 3hif s THR 28 Ca -0.03 0.71 -0.05 0.00 0.31 0.00 0.00 61.69 62.63 3hif s THR 28 Cb -0.14 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 3hif s THR 28 CO -0.05 -0.55 -0.10 0.18 -0.69 0.00 0.00 174.62 173.41 3hif n LEU 29 N -2.50 1.28 -4.47 4.42 4.32 0.42 -4.79 117.00 115.67 3hif n LEU 29 Ca 0.09 0.19 -0.35 0.00 -0.02 0.00 0.00 56.01 55.91 3hif n LEU 29 Cb 0.53 -0.43 -0.12 0.00 -1.62 0.00 0.00 43.42 41.77 3hif n LEU 29 CO 0.50 -0.53 -0.31 -0.63 -1.22 0.00 0.00 177.39 175.20 3hif s ILE 30 N -2.26 4.14 0.31 -0.08 1.01 -0.96 -4.96 121.20 118.41 3hif s ILE 30 Ca -0.09 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 3hif s ILE 30 Cb 0.02 -2.89 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 3hif s ILE 30 CO 0.13 0.41 0.60 -1.00 0.00 0.00 0.00 174.94 175.08 3hif s HIS 31 N 1.09 3.47 0.69 3.97 3.76 -1.26 -1.82 115.29 125.19 3hif s HIS 31 Ca 0.03 0.74 -0.15 0.00 -0.15 0.00 0.00 55.06 55.53 3hif s HIS 31 Cb -0.14 -2.19 0.02 0.00 1.11 0.00 0.00 32.58 31.38 3hif s HIS 31 CO 0.02 0.11 1.16 -0.65 -0.85 0.00 0.00 174.74 174.53 3hif s GLN 32 N -3.59 2.49 0.00 1.40 -0.21 -1.26 -3.04 119.66 115.45 3hif s GLN 32 Ca 0.46 1.59 0.00 0.00 0.02 0.00 0.00 55.36 57.43 3hif s GLN 32 Cb -0.11 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 32.01 3hif s GLN 32 CO 0.30 -1.53 0.00 0.41 -2.12 0.00 0.00 175.29 172.35 3hif n GLY 33 N -0.01 1.25 3.52 3.09 0.00 0.86 -4.92 105.19 108.98 3hif n GLY 33 Ca 0.12 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.57 3hif n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hif n GLU 34 N -1.54 0.30 -1.82 1.61 1.02 -1.17 -4.49 120.64 114.55 3hif n GLU 34 Ca 0.00 0.11 -0.40 0.00 -0.02 0.00 0.00 57.16 56.85 3hif n GLU 34 Cb 0.00 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 29.75 3hif n GLU 34 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3hif s LYS 35 N 0.11 2.73 -0.17 3.49 2.20 -1.26 -3.73 119.74 123.12 3hif s LYS 35 Ca 0.89 1.29 -0.29 0.00 -0.36 0.00 0.00 55.97 57.50 3hif s LYS 35 Cb -1.18 -4.39 -0.06 0.00 -1.51 0.00 0.00 37.83 30.69 3hif s LYS 35 CO 0.54 -2.57 2.12 0.00 -0.36 0.00 0.00 175.35 175.09 3hif s ALA 36 N 9.32 2.95 -0.17 3.13 0.00 -1.26 -4.93 121.76 130.79 3hif s ALA 36 Ca 0.85 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 53.63 3hif s ALA 36 Cb -0.20 -4.01 0.07 0.00 0.00 0.00 0.00 23.12 18.98 3hif s ALA 36 CO 0.28 -2.48 0.15 -1.21 0.00 0.00 0.00 175.76 172.50 3hif s GLU 37 N 5.82 0.11 0.00 0.00 2.02 -1.26 -4.58 118.70 120.81 3hif s GLU 37 Ca 0.96 0.13 0.00 0.00 0.02 0.00 0.00 54.97 56.07 3hif s GLU 37 Cb -0.34 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.54 3hif s GLU 37 CO 0.36 -0.61 0.00 0.25 0.02 0.00 0.00 175.26 175.28 3hif n THR 38 N 5.30 -0.57 -0.66 3.63 -2.24 -1.26 -4.67 114.28 113.81 3hif n THR 38 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3hif n THR 38 Cb 0.49 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3hif n THR 38 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3hif n LEU 39 N -0.53 -0.88 -4.52 3.22 7.94 -0.58 -4.89 117.00 116.75 3hif n LEU 39 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.66 3hif n LEU 39 Cb 0.00 -0.44 -0.11 0.00 0.53 0.00 0.00 43.42 43.40 3hif n LEU 39 CO 0.00 0.00 -0.32 -0.31 -1.11 0.00 0.00 177.39 175.65 3hif s TYR 40 N -0.30 2.22 -0.16 1.96 2.02 -0.67 -2.61 117.35 119.81 3hif s TYR 40 Ca 0.00 -0.71 -0.04 0.00 -0.37 0.00 0.00 57.07 55.95 3hif s TYR 40 Cb 0.00 -1.41 0.08 0.00 -0.40 0.00 0.00 41.96 40.22 3hif s TYR 40 CO 0.00 0.33 0.25 -0.47 -1.57 0.00 0.00 175.55 174.09 3hif s TYR 41 N -2.90 -0.39 -0.40 2.71 5.04 0.29 -0.85 117.35 120.86 3hif s TYR 41 Ca 0.33 0.71 -0.28 0.00 -2.44 0.00 0.00 57.07 55.39 3hif s TYR 41 Cb 0.07 -0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.21 3hif s TYR 41 CO 0.16 -0.45 1.73 0.42 -1.34 0.00 0.00 175.55 176.07 3hif s ILE 42 N 2.39 3.54 0.13 3.14 1.01 0.84 -1.78 121.20 130.47 3hif s ILE 42 Ca 0.04 0.52 0.05 0.00 0.00 0.00 0.00 60.65 61.25 3hif s ILE 42 Cb -0.13 -3.81 -0.20 0.00 0.01 0.00 0.00 42.46 38.32 3hif s ILE 42 CO -0.10 -0.57 1.29 0.58 0.00 0.00 0.00 174.94 176.14 3hif h VAL 43 N 6.75 1.63 -2.60 2.92 2.07 -1.64 0.65 116.25 126.03 3hif h VAL 43 Ca -0.31 -3.17 0.03 0.00 0.82 0.00 0.00 66.70 64.07 3hif h VAL 43 Cb 1.15 2.77 -0.14 0.00 -1.52 0.00 0.00 31.29 33.55 3hif h VAL 43 CO 1.08 0.91 0.33 -0.75 0.02 0.00 0.00 177.57 179.16 3hif s LYS 44 N -2.83 1.06 0.86 1.57 2.20 -1.07 -4.67 119.74 116.86 3hif s LYS 44 Ca -0.01 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 3hif s LYS 44 Cb 0.10 0.49 0.00 0.00 -1.51 0.00 0.00 37.83 36.91 3hif s LYS 44 CO 0.83 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 3hif n GLY 45 N -0.21 -2.13 3.14 5.54 0.00 -1.26 -2.83 105.19 107.45 3hif n GLY 45 Ca -0.14 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 3hif n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hif s SER 46 N -3.76 1.31 0.37 1.61 1.04 -1.25 -2.48 113.70 110.54 3hif s SER 46 Ca 0.00 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 55.77 3hif s SER 46 Cb 0.00 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 3hif s SER 46 CO 0.00 -0.21 0.11 0.68 0.98 0.00 0.00 173.24 174.81 3hif s VAL 47 N -1.89 0.70 0.01 5.02 -7.23 -0.62 -2.07 120.40 114.32 3hif s VAL 47 Ca -0.01 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 3hif s VAL 47 Cb -0.06 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 3hif s VAL 47 CO 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.76 3hif s ALA 48 N -3.31 0.25 -0.41 1.32 0.00 -0.82 -3.03 121.76 115.75 3hif s ALA 48 Ca 0.29 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 3hif s ALA 48 Cb 0.05 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.23 3hif s ALA 48 CO 0.15 -0.02 0.29 0.08 0.00 0.00 0.00 175.76 176.26 3hif s VAL 49 N -0.67 4.89 0.04 0.00 1.01 -1.16 -1.77 120.40 122.74 3hif s VAL 49 Ca -0.06 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3hif s VAL 49 Cb -0.05 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3hif s VAL 49 CO -0.00 -0.37 0.04 -0.76 0.00 0.00 0.00 175.10 174.00 3hif s LEU 50 N 1.60 3.65 0.14 3.92 2.01 -0.42 0.10 118.68 129.68 3hif s LEU 50 Ca 0.03 -0.02 -0.10 0.00 0.01 0.00 0.00 54.13 54.05 3hif s LEU 50 Cb -0.21 -2.24 0.00 0.00 0.01 0.00 0.00 46.19 43.75 3hif s LEU 50 CO 0.07 0.22 0.29 0.27 1.01 0.00 0.00 176.35 178.21 3hif s ILE 51 N -1.25 0.09 -0.34 -0.59 -5.25 -1.02 0.72 121.20 113.55 3hif s ILE 51 Ca 0.25 -1.17 -0.12 0.00 -0.99 0.00 0.00 60.65 58.61 3hif s ILE 51 Cb -0.12 -1.58 -0.01 0.00 2.95 0.00 0.00 42.46 43.70 3hif s ILE 51 CO 0.16 -0.40 0.22 -0.54 -1.79 0.00 0.00 174.94 172.60 3hif s LYS 52 N -3.91 3.43 0.97 0.37 1.02 -1.25 0.27 119.74 120.64 3hif s LYS 52 Ca 0.11 -0.68 -0.14 0.00 0.02 0.00 0.00 55.97 55.27 3hif s LYS 52 Cb 0.03 -3.75 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3hif s LYS 52 CO -0.05 -0.45 0.08 -3.47 -0.92 0.00 0.00 175.35 170.54 3hif n ASP 53 N 5.08 -3.10 -0.16 2.83 -0.08 -0.90 -4.61 116.55 115.61 3hif n ASP 53 Ca -0.13 0.28 -0.04 0.00 -1.51 0.00 0.00 54.79 53.39 3hif n ASP 53 Cb 0.49 -1.09 -0.04 0.00 2.34 0.00 0.00 41.12 42.83 3hif n ASP 53 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3hif n GLU 54 N -0.63 -0.17 -0.04 -0.67 -0.58 -1.26 0.17 120.64 117.47 3hif n GLU 54 Ca 0.04 0.98 -0.01 0.00 -0.42 0.00 0.00 57.16 57.76 3hif n GLU 54 Cb 0.54 -1.45 0.01 0.00 -0.57 0.00 0.00 31.44 29.97 3hif n GLU 54 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3hif n GLU 55 N -3.84 1.08 -0.02 3.49 2.13 -1.26 -4.97 120.64 117.24 3hif n GLU 55 Ca 0.01 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.72 3hif n GLU 55 Cb 0.10 -1.20 -0.00 0.00 0.27 0.00 0.00 31.44 30.61 3hif n GLU 55 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hif n GLY 56 N 0.31 -2.07 0.00 8.31 0.00 0.46 -5.10 105.19 107.09 3hif n GLY 56 Ca 0.02 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3hif n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hif n LYS 57 N -0.38 0.00 -2.33 1.61 5.02 -1.26 -3.11 118.16 117.71 3hif n LYS 57 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3hif n LYS 57 Cb 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.00 3hif n LYS 57 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hif s GLU 58 N -4.55 4.10 -0.37 1.97 2.02 -1.26 -2.11 118.70 118.50 3hif s GLU 58 Ca 0.00 1.64 -0.00 0.00 0.02 0.00 0.00 54.97 56.63 3hif s GLU 58 Cb 0.00 -3.85 0.10 0.00 0.10 0.00 0.00 34.13 30.48 3hif s GLU 58 CO 0.00 -0.89 0.12 1.41 0.02 0.00 0.00 175.26 175.92 3hif s MET 59 N 3.86 1.85 0.09 1.61 -2.45 0.14 -4.93 119.30 119.48 3hif s MET 59 Ca 0.60 -1.78 -0.31 0.00 -1.25 0.00 0.00 55.69 52.95 3hif s MET 59 Cb -0.22 -3.39 -0.08 0.00 1.25 0.00 0.00 34.83 32.38 3hif s MET 59 CO 0.20 -0.97 1.48 0.42 1.05 0.00 0.00 175.02 177.20 3hif s ILE 60 N 1.06 3.18 -0.07 10.11 1.01 -1.26 -2.45 121.20 132.78 3hif s ILE 60 Ca 0.08 0.77 0.20 0.00 0.00 0.00 0.00 60.65 61.70 3hif s ILE 60 Cb -0.21 -3.49 -0.30 0.00 0.01 0.00 0.00 42.46 38.46 3hif s ILE 60 CO -0.05 0.03 0.35 0.18 0.00 0.00 0.00 174.94 175.45 3hif n LEU 61 N 4.57 0.00 -3.86 2.97 4.77 0.29 -5.00 117.00 120.74 3hif n LEU 61 Ca 0.13 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.10 3hif n LEU 61 Cb 0.41 0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 3hif n LEU 61 CO 0.60 0.14 0.88 -0.55 -1.33 0.00 0.00 177.39 177.12 3hif s SER 62 N -4.69 -0.02 -0.39 -1.43 0.15 -1.25 -4.96 113.70 101.12 3hif s SER 62 Ca -0.08 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.09 3hif s SER 62 Cb 0.11 0.40 0.16 0.00 -1.71 0.00 0.00 66.02 64.98 3hif s SER 62 CO 0.85 -0.79 0.31 -0.31 1.20 0.00 0.00 173.24 174.50 3hif s TYR 63 N -2.31 0.62 0.10 3.44 2.02 -1.26 -3.01 117.35 116.96 3hif s TYR 63 Ca 0.21 -1.77 -0.30 0.00 -0.37 0.00 0.00 57.07 54.84 3hif s TYR 63 Cb -0.01 -0.78 -0.06 0.00 -0.40 0.00 0.00 41.96 40.71 3hif s TYR 63 CO 0.03 -0.87 1.03 -0.51 -1.57 0.00 0.00 175.55 173.66 3hif s LEU 64 N 0.67 4.46 0.46 -1.29 1.43 -1.17 -4.90 118.68 118.34 3hif s LEU 64 Ca 0.25 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.25 3hif s LEU 64 Cb -0.09 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3hif s LEU 64 CO -0.09 -0.19 0.02 0.20 0.23 0.00 0.00 176.35 176.53 3hif s ASN 65 N 0.27 3.81 0.03 2.29 0.01 -1.26 -1.59 114.94 118.50 3hif s ASN 65 Ca 0.50 -1.58 -0.30 0.00 -0.71 0.00 0.00 52.86 50.77 3hif s ASN 65 Cb -0.25 0.27 -0.16 0.00 0.41 0.00 0.00 41.25 41.52 3hif s ASN 65 CO 0.31 -0.75 0.77 1.67 -1.51 0.00 0.00 177.10 177.58 3hif n GLN 66 N -1.12 0.00 -1.64 -0.60 7.27 -1.03 -2.67 117.38 117.59 3hif n GLN 66 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.94 3hif n GLN 66 Cb 0.67 -1.12 0.00 0.00 2.41 0.00 0.00 30.24 32.20 3hif n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hif n GLY 67 N 1.29 0.90 3.20 1.69 0.00 0.23 -5.00 105.19 107.50 3hif n GLY 67 Ca 0.16 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 3hif n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hif s ASP 68 N -2.72 2.11 -0.04 1.61 1.01 -1.09 -4.88 116.67 112.67 3hif s ASP 68 Ca 0.00 -0.45 -0.07 0.00 0.71 0.00 0.00 52.55 52.74 3hif s ASP 68 Cb 0.00 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.71 3hif s ASP 68 CO 0.00 0.13 0.21 -0.36 0.21 0.00 0.00 175.17 175.37 3hif s PHE 69 N -0.72 3.59 -0.15 4.23 0.08 -1.24 0.29 117.98 124.06 3hif s PHE 69 Ca 0.05 0.54 -0.04 0.00 0.12 0.00 0.00 56.93 57.61 3hif s PHE 69 Cb -0.08 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3hif s PHE 69 CO 0.01 0.67 -0.01 0.42 -0.10 0.00 0.00 175.22 176.21 3hif s ILE 70 N -1.19 4.11 -0.78 0.64 -1.09 -0.03 -4.68 121.20 118.19 3hif s ILE 70 Ca 0.22 -0.29 -0.03 0.00 -2.23 0.00 0.00 60.65 58.33 3hif s ILE 70 Cb -0.13 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 3hif s ILE 70 CO 0.12 0.50 0.44 0.61 -1.23 0.00 0.00 174.94 175.38 3hif n GLY 71 N 3.37 0.09 0.06 6.18 0.00 -1.26 -1.53 105.19 112.10 3hif n GLY 71 Ca -0.17 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.67 3hif n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hif n GLU 72 N -2.63 0.08 0.07 1.61 0.00 -1.26 -3.08 120.64 115.43 3hif n GLU 72 Ca -0.04 0.36 0.02 0.00 0.00 0.00 0.00 57.16 57.50 3hif n GLU 72 Cb 0.55 -1.67 0.36 0.00 0.00 0.00 0.00 31.44 30.68 3hif n GLU 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3hif h LEU 73 N 0.00 0.33 0.00 -1.84 4.07 -1.98 -2.77 115.31 113.12 3hif h LEU 73 Ca 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3hif h LEU 73 Cb 0.26 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.91 3hif h LEU 73 CO 0.00 0.44 -0.32 1.23 -1.08 0.00 0.00 178.44 178.70 3hif h GLY 74 N 0.74 0.00 -0.11 0.83 0.00 -1.87 -3.28 103.07 99.37 3hif h GLY 74 Ca 0.07 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.66 3hif h GLY 74 CO 0.01 0.00 0.81 -2.00 0.00 0.00 0.00 176.54 175.37 3hif h LEU 75 N 0.00 0.00 0.00 3.11 5.85 -1.67 0.37 115.31 122.97 3hif h LEU 75 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 3hif h LEU 75 Cb 0.94 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3hif h LEU 75 CO 0.00 0.00 -1.73 0.49 -0.34 0.00 0.00 178.44 176.86 3hif n PHE 76 N -3.72 0.00 -0.96 1.25 3.01 -1.25 -4.68 117.46 111.10 3hif n PHE 76 Ca 0.18 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.41 3hif n PHE 76 Cb 1.11 -0.49 -0.07 0.00 -0.01 0.00 0.00 39.48 40.02 3hif n PHE 76 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3hif n GLU 77 N -2.30 2.46 -0.48 -1.08 -0.58 0.13 -4.90 120.64 113.89 3hif n GLU 77 Ca -0.15 -1.46 -0.17 0.00 -0.42 0.00 0.00 57.16 54.97 3hif n GLU 77 Cb 0.74 -2.36 -0.05 0.00 -0.57 0.00 0.00 31.44 29.20 3hif n GLU 77 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3hif n GLU 78 N 3.38 0.00 -2.60 3.49 2.13 -1.23 -2.94 120.64 122.87 3hif n GLU 78 Ca 0.52 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.32 3hif n GLU 78 Cb 0.39 -0.51 -0.02 0.00 0.27 0.00 0.00 31.44 31.57 3hif n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hif n GLY 79 N 2.37 -3.32 0.00 8.31 0.00 -1.26 -5.06 105.19 106.22 3hif n GLY 79 Ca 0.21 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.99 3hif n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hif n GLN 80 N 2.01 0.28 -3.79 1.61 7.27 -1.15 -5.04 117.38 118.57 3hif n GLN 80 Ca -0.17 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.53 3hif n GLN 80 Cb 0.27 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.79 3hif n GLN 80 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3hif s GLU 81 N -0.01 2.74 -0.60 3.69 2.56 -1.26 -4.09 118.70 121.73 3hif s GLU 81 Ca 0.00 -1.08 -0.27 0.00 0.00 0.00 0.00 54.97 53.62 3hif s GLU 81 Cb 0.00 -3.35 -0.01 0.00 2.00 0.00 0.00 34.13 32.76 3hif s GLU 81 CO 0.00 -0.57 1.76 1.03 -0.56 0.00 0.00 175.26 176.92 3hif s ARG 82 N 1.40 2.79 -0.78 4.30 1.81 -1.24 -4.82 118.95 122.41 3hif s ARG 82 Ca -0.01 0.56 -0.02 0.00 -1.72 0.00 0.00 55.73 54.54 3hif s ARG 82 Cb -0.19 -4.33 0.32 0.00 -0.45 0.00 0.00 34.95 30.30 3hif s ARG 82 CO 0.01 -2.55 2.13 -1.13 -0.68 0.00 0.00 175.30 173.09 3hif n SER 83 N 11.98 7.40 0.00 0.23 3.41 -1.26 -0.10 113.62 135.27 3hif n SER 83 Ca 0.18 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.05 3hif n SER 83 Cb 0.51 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 3hif n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hif n ALA 84 N -0.36 0.00 -2.45 7.33 0.00 -1.26 -4.97 120.51 118.79 3hif n ALA 84 Ca 0.54 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.73 3hif n ALA 84 Cb 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 3hif n ALA 84 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3hif s TRP 85 N 0.00 2.06 -0.18 0.00 -2.14 0.22 -4.42 118.94 114.48 3hif s TRP 85 Ca 0.00 -0.41 -0.18 0.00 2.66 0.00 0.00 56.10 58.17 3hif s TRP 85 Cb 0.00 -1.04 -0.03 0.00 -3.10 0.00 0.00 33.47 29.29 3hif s TRP 85 CO 0.00 0.39 0.51 0.08 -2.66 0.00 0.00 176.95 175.27 3hif s VAL 86 N -1.71 5.13 -0.04 -0.66 1.01 -0.76 -1.29 120.40 122.08 3hif s VAL 86 Ca 0.17 0.95 0.02 0.00 0.00 0.00 0.00 61.98 63.12 3hif s VAL 86 Cb -0.07 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3hif s VAL 86 CO 0.08 0.22 -0.06 -0.60 0.00 0.00 0.00 175.10 174.73 3hif s ARG 87 N 1.36 0.86 0.67 2.72 3.52 -0.73 0.16 118.95 127.52 3hif s ARG 87 Ca 0.25 -0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 55.49 3hif s ARG 87 Cb -0.15 -0.83 -0.11 0.00 -1.56 0.00 0.00 34.95 32.30 3hif s ARG 87 CO 0.10 0.00 0.03 0.00 -0.81 0.00 0.00 175.30 174.62 3hif n ALA 88 N 3.69 -2.80 0.00 6.12 0.00 0.18 -1.95 120.51 125.75 3hif n ALA 88 Ca -0.22 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3hif n ALA 88 Cb 0.53 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3hif n ALA 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3hif n LYS 89 N 0.79 0.07 -4.04 0.00 4.81 -0.98 -1.32 118.16 117.48 3hif n LYS 89 Ca 0.07 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.20 3hif n LYS 89 Cb 0.50 -0.81 -0.15 0.00 0.02 0.00 0.00 35.03 34.59 3hif n LYS 89 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 3hif s THR 90 N -1.61 1.99 -0.16 3.15 -1.32 -0.88 -4.58 115.64 112.23 3hif s THR 90 Ca 0.00 -1.44 -0.09 0.00 -1.21 0.00 0.00 61.69 58.94 3hif s THR 90 Cb 0.00 -2.10 -0.05 0.00 -1.51 0.00 0.00 72.50 68.84 3hif s THR 90 CO 0.00 0.03 0.56 0.00 -2.21 0.00 0.00 174.62 173.00 3hif n ALA 91 N 4.51 0.06 -2.54 11.08 0.00 -1.26 -3.86 120.51 128.51 3hif n ALA 91 Ca -0.14 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 3hif n ALA 91 Cb 0.43 -0.52 -0.11 0.00 0.00 0.00 0.00 19.45 19.26 3hif n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hif s GLU 93 N -2.60 3.88 -0.01 0.00 2.02 -1.13 -0.95 118.70 119.91 3hif s GLU 93 Ca 0.02 -0.25 0.02 0.00 0.02 0.00 0.00 54.97 54.78 3hif s GLU 93 Cb -0.03 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.93 3hif s GLU 93 CO -0.01 0.43 -0.07 0.08 0.02 0.00 0.00 175.26 175.70 3hif s VAL 94 N -0.03 0.60 0.16 2.63 1.01 -0.32 -1.70 120.40 122.75 3hif s VAL 94 Ca 0.08 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.81 3hif s VAL 94 Cb -0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3hif s VAL 94 CO 0.00 0.18 0.17 0.00 0.00 0.00 0.00 175.10 175.45 3hif s ALA 95 N 0.01 3.66 0.04 5.51 0.00 -0.73 -0.19 121.76 130.05 3hif s ALA 95 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 3hif s ALA 95 Cb -0.05 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.62 3hif s ALA 95 CO -0.00 0.52 0.24 -1.83 0.00 0.00 0.00 175.76 174.69 3hif s GLU 96 N -3.10 0.73 -0.07 0.00 -1.05 -0.86 -0.55 118.70 113.79 3hif s GLU 96 Ca 0.32 -0.56 -0.14 0.00 -0.15 0.00 0.00 54.97 54.44 3hif s GLU 96 Cb -0.10 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 33.92 3hif s GLU 96 CO 0.24 -0.22 0.33 -1.50 0.95 0.00 0.00 175.26 175.07 3hif s ILE 97 N -2.47 0.03 0.32 1.83 2.07 -1.07 -1.36 121.20 120.55 3hif s ILE 97 Ca -0.06 -0.24 -0.29 0.00 -1.41 0.00 0.00 60.65 58.65 3hif s ILE 97 Cb -0.01 -0.56 -0.12 0.00 0.13 0.00 0.00 42.46 41.90 3hif s ILE 97 CO -0.03 -0.13 1.50 -1.54 -1.91 0.00 0.00 174.94 172.83 3hif n SER 98 N 2.07 3.55 0.00 4.50 3.41 -1.26 -4.12 113.62 121.77 3hif n SER 98 Ca -0.17 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.62 3hif n SER 98 Cb 0.57 -1.57 0.01 0.00 -0.26 0.00 0.00 64.21 62.96 3hif n SER 98 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hif n TYR 99 N 1.32 0.00 -0.09 7.33 0.53 -1.26 -1.73 117.16 123.25 3hif n TYR 99 Ca 0.06 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.80 3hif n TYR 99 Cb 0.37 -0.40 -0.07 0.00 -1.03 0.00 0.00 39.34 38.21 3hif n TYR 99 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 3hif n LYS 100 N -1.40 0.51 -0.18 -0.72 4.81 -1.26 -3.80 118.16 116.13 3hif n LYS 100 Ca 0.00 0.53 0.01 0.00 -0.87 0.00 0.00 58.31 57.98 3hif n LYS 100 Cb 0.00 -1.70 0.27 0.00 0.02 0.00 0.00 35.03 33.62 3hif n LYS 100 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3hif h LYS 101 N -1.00 0.92 -0.59 1.64 3.64 -1.84 -1.93 116.57 117.42 3hif h LYS 101 Ca -0.20 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.20 3hif h LYS 101 Cb 0.96 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.51 3hif h LYS 101 CO -0.12 0.62 0.22 0.35 -2.27 0.00 0.00 179.45 178.25 3hif h PHE 102 N 0.94 0.39 0.00 1.91 3.57 -1.52 0.14 116.94 122.36 3hif h PHE 102 Ca 0.25 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3hif h PHE 102 Cb -0.08 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 3hif h PHE 102 CO 0.00 0.11 -0.00 0.00 -2.23 0.00 0.00 178.31 176.19 3hif h ARG 103 N 0.41 0.00 0.17 1.11 3.08 -1.45 -0.08 114.38 117.62 3hif h ARG 103 Ca 0.29 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.02 3hif h ARG 103 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.40 3hif h ARG 103 CO -0.29 0.00 -1.58 1.96 -1.07 0.00 0.00 179.97 178.99 3hif h GLN 104 N 0.00 0.35 -0.13 0.04 4.20 -0.71 -3.20 115.11 115.66 3hif h GLN 104 Ca -0.00 -0.60 0.01 0.00 0.06 0.00 0.00 58.65 58.12 3hif h GLN 104 Cb 0.15 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3hif h GLN 104 CO 0.00 1.25 0.06 -0.07 -0.67 0.00 0.00 178.83 179.40 3hif h LEU 105 N 0.10 0.08 -0.96 1.46 3.38 0.37 -2.59 115.31 117.14 3hif h LEU 105 Ca -0.27 0.01 0.17 0.00 0.09 0.00 0.00 57.88 57.87 3hif h LEU 105 Cb 2.07 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 42.71 3hif h LEU 105 CO 0.19 0.07 0.57 0.40 0.09 0.00 0.00 178.44 179.76 3hif h ILE 106 N 0.13 0.75 -0.50 1.22 2.04 -1.19 0.29 117.51 120.25 3hif h ILE 106 Ca 0.05 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3hif h ILE 106 Cb 0.02 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 35.98 3hif h ILE 106 CO -0.04 0.14 0.29 1.56 0.00 0.00 0.00 178.15 180.10 3hif h GLN 107 N 0.77 0.68 0.06 2.37 1.08 -1.46 -2.93 115.11 115.68 3hif h GLN 107 Ca 0.53 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.67 3hif h GLN 107 Cb 0.76 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3hif h GLN 107 CO -0.36 0.49 -0.03 0.28 -0.95 0.00 0.00 178.83 178.26 3hif h VAL 108 N 0.69 0.89 -2.11 -0.54 2.07 -0.27 -3.44 116.25 113.54 3hif h VAL 108 Ca 0.18 -1.50 -0.45 0.00 0.82 0.00 0.00 66.70 65.75 3hif h VAL 108 Cb -0.01 1.63 -0.33 0.00 -1.52 0.00 0.00 31.29 31.06 3hif h VAL 108 CO -0.03 0.28 -0.77 0.21 0.02 0.00 0.00 177.57 177.28 3hif s ASN 109 N -5.75 1.46 0.00 0.57 3.84 -0.24 -5.02 114.94 109.79 3hif s ASN 109 Ca -0.11 -2.05 0.00 0.00 0.21 0.00 0.00 52.86 50.92 3hif s ASN 109 Cb -0.01 0.23 0.00 0.00 -0.55 0.00 0.00 41.25 40.92 3hif s ASN 109 CO 0.39 -0.24 0.18 -0.81 -2.79 0.00 0.00 177.10 173.83 3hif n PRO 110 N 3.81 0.23 -0.07 0.43 -0.04 -1.11 -3.48 135.00 134.76 3hif n PRO 110 Ca 0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.50 3hif n PRO 110 Cb 0.44 -1.05 0.01 0.00 -0.04 0.00 0.00 33.50 32.87 3hif n PRO 110 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3hif h ASP 111 N 0.34 0.87 -0.89 3.54 3.58 -1.94 -3.05 116.42 118.86 3hif h ASP 111 Ca 0.00 -0.41 0.02 0.00 0.42 0.00 0.00 57.03 57.06 3hif h ASP 111 Cb 0.05 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 40.81 3hif h ASP 111 CO 0.00 1.17 0.59 0.40 -2.88 0.00 0.00 179.24 178.52 3hif h ILE 112 N 0.65 1.21 -0.42 2.25 2.04 -1.96 -0.49 117.51 120.79 3hif h ILE 112 Ca 0.04 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.58 3hif h ILE 112 Cb 1.00 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3hif h ILE 112 CO 0.10 0.22 0.29 0.25 0.00 0.00 0.00 178.15 179.00 3hif h LEU 113 N 1.19 0.17 0.63 1.44 5.85 -1.81 -2.22 115.31 120.56 3hif h LEU 113 Ca 0.33 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 3hif h LEU 113 Cb -0.10 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 40.90 3hif h LEU 113 CO -0.08 0.11 -0.30 0.24 -0.34 0.00 0.00 178.44 178.06 3hif h MET 114 N 0.19 -0.81 -1.00 1.25 2.86 -1.00 0.24 114.93 116.66 3hif h MET 114 Ca 0.19 0.06 0.15 0.00 -2.06 0.00 0.00 59.70 58.04 3hif h MET 114 Cb 0.52 0.19 -0.09 0.00 0.06 0.00 0.00 31.60 32.27 3hif h MET 114 CO -0.03 -0.50 0.63 0.00 1.06 0.00 0.00 176.91 178.06 3hif h ARG 115 N -1.00 0.88 -0.31 1.72 3.08 -1.28 0.66 114.38 118.13 3hif h ARG 115 Ca -0.09 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 3hif h ARG 115 Cb 0.69 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3hif h ARG 115 CO 0.14 0.58 -0.06 1.25 -1.07 0.00 0.00 179.97 180.81 3hif h LEU 116 N 0.91 0.59 -0.70 3.04 6.46 -1.28 -1.29 115.31 123.04 3hif h LEU 116 Ca 0.53 -0.36 -0.14 0.00 -0.12 0.00 0.00 57.88 57.79 3hif h LEU 116 Cb 0.65 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 3hif h LEU 116 CO -0.31 0.81 -0.59 0.28 -0.62 0.00 0.00 178.44 178.01 3hif h SER 117 N 0.36 0.23 -0.38 1.25 0.02 0.17 -3.09 113.55 112.11 3hif h SER 117 Ca 0.08 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3hif h SER 117 Cb 0.54 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3hif h SER 117 CO 0.03 0.77 0.08 0.00 -1.14 0.00 0.00 176.83 176.57 3hif h ALA 118 N 1.24 0.50 -0.06 3.77 0.00 0.43 -2.74 119.26 122.40 3hif h ALA 118 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3hif h ALA 118 Cb 1.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3hif h ALA 118 CO 0.09 0.19 0.04 0.00 0.00 0.00 0.00 179.25 179.57 3hif n GLN 119 N -4.56 1.08 0.00 0.00 -0.00 -0.50 -0.90 117.38 112.49 3hif n GLN 119 Ca -0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 57.00 56.81 3hif n GLN 119 Cb 0.21 -1.07 0.00 0.00 -0.00 0.00 0.00 30.24 29.38 3hif n GLN 119 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3hif n MET 120 N 0.49 2.61 0.13 2.61 2.81 -1.05 -4.60 117.12 120.11 3hif n MET 120 Ca 0.04 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.87 3hif n MET 120 Cb 0.56 -0.78 -0.02 0.00 -0.71 0.00 0.00 33.22 32.27 3hif n MET 120 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hif h ALA 121 N 0.00 -0.72 0.00 3.04 0.00 -0.79 -1.77 119.26 119.01 3hif h ALA 121 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hif h ALA 121 Cb 0.10 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hif h ALA 121 CO 0.00 -0.70 0.00 0.54 0.00 0.00 0.00 179.25 179.09 3hif n ARG 122 N -3.31 0.00 0.00 0.00 1.74 -1.06 0.25 116.66 114.28 3hif n ARG 122 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3hif n ARG 122 Cb 0.13 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3hif n ARG 122 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3hif n ARG 123 N -0.71 0.00 -0.29 5.56 3.00 -1.11 -4.22 116.66 118.89 3hif n ARG 123 Ca 0.00 0.02 0.20 0.00 -0.00 0.00 0.00 57.85 58.06 3hif n ARG 123 Cb 0.00 -0.31 0.37 0.00 0.00 0.00 0.00 32.46 32.53 3hif n ARG 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3hif n LEU 124 N -1.02 0.08 -0.22 6.15 4.77 -0.50 0.19 117.00 126.45 3hif n LEU 124 Ca 0.00 1.48 0.06 0.00 -0.03 0.00 0.00 56.01 57.52 3hif n LEU 124 Cb 0.00 -0.62 0.13 0.00 -2.33 0.00 0.00 43.42 40.60 3hif n LEU 124 CO 0.00 -1.57 0.45 1.67 -1.33 0.00 0.00 177.39 176.61 3hif n GLN 125 N -5.15 -0.05 0.14 3.23 -0.06 0.70 -1.41 117.38 114.77 3hif n GLN 125 Ca 0.26 0.95 -0.14 0.00 -2.00 0.00 0.00 57.00 56.07 3hif n GLN 125 Cb 0.88 -1.46 -0.08 0.00 -4.06 0.00 0.00 30.24 25.52 3hif n GLN 125 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 3hif h VAL 126 N 0.00 0.81 -0.64 1.69 3.04 0.19 -3.36 116.25 117.98 3hif h VAL 126 Ca 0.33 -0.26 0.10 0.00 -1.01 0.00 0.00 66.70 65.86 3hif h VAL 126 Cb 0.60 0.97 -0.11 0.00 -2.01 0.00 0.00 31.29 30.74 3hif h VAL 126 CO -0.61 0.06 -0.43 0.00 -1.01 0.00 0.00 177.57 175.58 3hif h THR 127 N -0.45 0.08 -0.87 3.17 1.03 -1.30 -2.60 112.91 111.97 3hif h THR 127 Ca -0.03 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.52 3hif h THR 127 Cb 0.34 0.08 -0.07 0.00 -1.07 0.00 0.00 68.15 67.44 3hif h THR 127 CO 0.05 0.00 0.56 0.28 -0.01 0.00 0.00 175.52 176.41 3hif h SER 128 N -0.19 0.59 0.00 0.00 0.02 -1.69 -1.35 113.55 110.93 3hif h SER 128 Ca 0.20 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3hif h SER 128 Cb 0.56 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3hif h SER 128 CO -0.73 0.29 0.00 -0.62 -1.14 0.00 0.00 176.83 174.64 3hif n GLU 129 N -4.55 0.93 0.00 3.45 1.02 -0.98 -5.18 120.64 115.34 3hif n GLU 129 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3hif n GLU 129 Cb 0.50 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 3hif n GLU 129 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hif n LYS 130 N 0.07 0.00 -0.70 3.49 5.02 -0.51 -5.12 118.16 120.40 3hif n LYS 130 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3hif n LYS 130 Cb 0.25 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.34 3hif n LYS 130 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3hif n ASN 133 N -0.06 -0.13 -0.10 4.39 6.94 -1.26 -4.93 115.26 120.11 3hif n ASN 133 Ca 0.00 -1.14 -0.06 0.00 -0.02 0.00 0.00 54.58 53.36 3hif n ASN 133 Cb 0.00 -0.40 0.01 0.00 -2.36 0.00 0.00 39.78 37.04 3hif n ASN 133 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 3hif h LEU 134 N 0.00 0.01 -1.17 -4.53 3.38 -2.05 -0.01 115.31 110.94 3hif h LEU 134 Ca -0.17 0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3hif h LEU 134 Cb 0.47 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3hif h LEU 134 CO 0.12 0.04 0.57 0.00 0.09 0.00 0.00 178.44 179.26 3hif h ALA 135 N 1.25 1.44 -0.42 1.53 0.00 -2.06 -0.02 119.26 120.98 3hif h ALA 135 Ca 0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3hif h ALA 135 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hif h ALA 135 CO -0.21 0.49 -0.12 0.35 0.00 0.00 0.00 179.25 179.76 3hif h PHE 136 N 1.10 0.93 0.00 0.00 3.57 -1.72 -2.80 116.94 118.02 3hif h PHE 136 Ca 0.33 -0.21 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3hif h PHE 136 Cb -0.03 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3hif h PHE 136 CO -0.00 0.95 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.54 3hif h LEU 137 N 0.64 0.00 -0.12 0.59 3.38 -0.58 -2.33 115.31 116.89 3hif h LEU 137 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hif h LEU 137 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3hif h LEU 137 CO 0.05 0.42 0.05 -0.78 0.09 0.00 0.00 178.44 178.26 3hif h ASP 138 N 0.00 0.18 -0.32 -0.43 -0.00 -0.84 -2.03 116.42 112.98 3hif h ASP 138 Ca -0.00 -0.18 -0.06 0.00 -0.00 0.00 0.00 57.03 56.79 3hif h ASP 138 Cb 0.91 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 40.17 3hif h ASP 138 CO 0.05 0.31 0.02 0.58 -0.00 0.00 0.00 179.24 180.20 3hif h VAL 139 N 0.03 1.22 -0.84 2.25 2.07 -1.40 -2.47 116.25 117.11 3hif h VAL 139 Ca 0.04 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3hif h VAL 139 Cb 0.19 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3hif h VAL 139 CO -0.00 0.30 0.53 0.74 0.02 0.00 0.00 177.57 179.16 3hif h THR 140 N 0.62 1.23 -0.28 2.57 2.02 -1.15 -0.88 112.91 117.04 3hif h THR 140 Ca 0.13 -0.46 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 3hif h THR 140 Cb 0.37 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3hif h THR 140 CO 0.01 0.23 -0.34 1.23 0.37 0.00 0.00 175.52 177.02 3hif h GLY 141 N 1.16 0.65 0.89 2.16 0.00 -0.93 -2.17 103.07 104.84 3hif h GLY 141 Ca 0.31 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 3hif h GLY 141 CO -0.06 0.55 -0.21 3.21 0.00 0.00 0.00 176.54 180.03 3hif h ARG 142 N 0.51 0.59 -0.58 4.80 3.08 -1.07 -2.37 114.38 119.34 3hif h ARG 142 Ca 0.06 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 3hif h ARG 142 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 3hif h ARG 142 CO 0.07 0.88 -0.01 0.82 -1.07 0.00 0.00 179.97 180.66 3hif h ILE 143 N 0.30 1.27 -0.34 2.04 2.04 -1.15 -1.92 117.51 119.74 3hif h ILE 143 Ca 0.04 -1.15 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 3hif h ILE 143 Cb 0.76 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3hif h ILE 143 CO 0.05 0.41 -0.08 0.00 0.00 0.00 0.00 178.15 178.54 3hif h ALA 144 N 0.97 1.22 -0.54 1.87 0.00 -1.43 -2.59 119.26 118.77 3hif h ALA 144 Ca 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3hif h ALA 144 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hif h ALA 144 CO 0.03 0.51 0.15 0.37 0.00 0.00 0.00 179.25 180.31 3hif h GLN 145 N 0.54 0.85 -0.69 0.00 4.15 -1.02 -0.05 115.11 118.89 3hif h GLN 145 Ca 0.10 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 3hif h GLN 145 Cb 0.47 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 3hif h GLN 145 CO 0.02 0.79 0.41 1.15 -1.93 0.00 0.00 178.83 179.28 3hif h THR 146 N 0.75 1.20 -0.24 2.39 2.02 -1.10 -0.68 112.91 117.25 3hif h THR 146 Ca 0.17 -0.46 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 3hif h THR 146 Cb 0.31 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3hif h THR 146 CO -0.00 0.21 -0.41 -0.07 0.37 0.00 0.00 175.52 175.63 3hif h LEU 147 N 0.94 0.60 -0.48 2.58 3.38 -1.30 -2.64 115.31 118.40 3hif h LEU 147 Ca 0.25 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3hif h LEU 147 Cb -0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3hif h LEU 147 CO -0.05 0.94 0.12 0.25 0.09 0.00 0.00 178.44 179.80 3hif h LEU 148 N 0.47 0.73 -0.83 1.67 6.46 -0.51 -2.03 115.31 121.27 3hif h LEU 148 Ca 0.04 -0.23 -0.12 0.00 -0.12 0.00 0.00 57.88 57.45 3hif h LEU 148 Cb 0.91 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 3hif h LEU 148 CO 0.08 0.77 -0.57 0.78 -0.62 0.00 0.00 178.44 178.88 3hif h ASN 149 N 0.66 0.04 0.49 1.25 -0.26 -1.10 -2.88 115.58 113.79 3hif h ASN 149 Ca 0.15 -0.02 -0.22 0.00 -0.56 0.00 0.00 56.30 55.65 3hif h ASN 149 Cb 0.32 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.57 3hif h ASN 149 CO 0.00 0.61 -0.96 -0.07 -1.06 0.00 0.00 177.43 175.95 3hif h LEU 150 N 0.03 0.39 -1.06 1.61 3.38 -1.38 -3.22 115.31 115.06 3hif h LEU 150 Ca -0.01 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 3hif h LEU 150 Cb 1.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3hif h LEU 150 CO 0.08 1.15 -0.46 0.00 0.09 0.00 0.00 178.44 179.29 3hif h ALA 151 N 0.82 1.19 -0.06 1.53 0.00 -1.29 -0.07 119.26 121.38 3hif h ALA 151 Ca -0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hif h ALA 151 Cb 1.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3hif h ALA 151 CO 0.16 0.58 0.00 1.63 0.00 0.00 0.00 179.25 181.61 3hif n LYS 152 N -3.93 1.18 -2.83 0.00 5.02 -1.10 -4.74 118.16 111.77 3hif n LYS 152 Ca -0.01 -0.27 -0.33 0.00 -2.02 0.00 0.00 58.31 55.67 3hif n LYS 152 Cb 0.49 -1.19 -0.07 0.00 -0.02 0.00 0.00 35.03 34.25 3hif n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hif s GLN 153 N -1.92 4.18 0.55 1.97 -1.52 -0.04 -4.96 119.66 117.91 3hif s GLN 153 Ca 0.17 1.05 0.23 0.00 -1.95 0.00 0.00 55.36 54.86 3hif s GLN 153 Cb 0.08 -2.21 1.52 0.00 -0.22 0.00 0.00 33.01 32.19 3hif s GLN 153 CO 0.13 -0.03 2.19 -1.35 -0.25 0.00 0.00 175.29 175.99 3hif h PRO 154 N 1.87 0.00 -1.02 2.91 0.11 -1.89 -2.57 132.00 131.41 3hif h PRO 154 Ca -0.49 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.18 3hif h PRO 154 Cb 1.18 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.03 3hif h PRO 154 CO 0.62 0.01 0.57 -0.40 -0.21 0.00 0.00 178.00 178.59 3hif n ASP 155 N -4.17 4.04 -4.84 -2.05 5.68 -1.26 -4.93 116.55 109.03 3hif n ASP 155 Ca -0.03 -3.36 -0.38 0.00 -0.50 0.00 0.00 54.79 50.52 3hif n ASP 155 Cb 0.10 -0.81 -0.06 0.00 -1.14 0.00 0.00 41.12 39.21 3hif n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hif s ALA 156 N -2.79 3.71 0.27 2.12 0.00 -0.97 -4.90 121.76 119.20 3hif s ALA 156 Ca 0.48 -0.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 3hif s ALA 156 Cb 0.40 -2.35 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 3hif s ALA 156 CO 0.08 0.48 0.91 -1.64 0.00 0.00 0.00 175.76 175.59 3hif s MET 157 N -1.00 4.67 -0.17 0.00 -1.94 0.17 -4.85 119.30 116.18 3hif s MET 157 Ca 0.23 1.35 -0.29 0.00 -1.71 0.00 0.00 55.69 55.26 3hif s MET 157 Cb -0.16 -3.03 -0.00 0.00 2.01 0.00 0.00 34.83 33.65 3hif s MET 157 CO 0.12 0.40 1.09 0.99 -0.01 0.00 0.00 175.02 177.62 3hif s THR 158 N -1.40 4.58 -0.03 2.05 2.01 -1.26 -1.23 115.64 120.36 3hif s THR 158 Ca 0.45 1.90 0.06 0.00 0.31 0.00 0.00 61.69 64.41 3hif s THR 158 Cb -0.22 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 3hif s THR 158 CO 0.27 -0.11 -0.22 -2.28 -0.69 0.00 0.00 174.62 171.59 3hif s HIS 159 N 2.89 2.06 0.56 4.92 5.04 0.08 -4.92 115.29 125.91 3hif s HIS 159 Ca 0.48 -0.48 0.38 0.00 -1.54 0.00 0.00 55.06 53.90 3hif s HIS 159 Cb -0.18 -1.34 1.52 0.00 0.04 0.00 0.00 32.58 32.62 3hif s HIS 159 CO 0.12 -0.10 1.72 -1.35 -2.34 0.00 0.00 174.74 172.78 3hif h PRO 160 N 5.81 0.00 0.00 2.88 0.11 -2.00 0.13 132.00 138.94 3hif h PRO 160 Ca -0.37 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.56 3hif h PRO 160 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3hif h PRO 160 CO 0.47 0.00 -2.08 -0.25 -0.21 0.00 0.00 178.00 175.94 3hif n ASP 161 N -3.98 0.12 0.00 -2.05 10.43 -1.26 -5.01 116.55 114.79 3hif n ASP 161 Ca 0.27 0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.68 3hif n ASP 161 Cb 1.38 1.32 0.00 0.00 1.84 0.00 0.00 41.12 45.66 3hif n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hif n GLY 162 N 1.48 -0.29 3.36 0.44 0.00 0.46 -0.06 105.19 110.58 3hif n GLY 162 Ca -0.17 0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 3hif n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hif s MET 163 N 0.00 1.41 -0.02 1.61 -1.94 -1.14 -0.74 119.30 118.48 3hif s MET 163 Ca 0.00 -1.26 0.04 0.00 -1.71 0.00 0.00 55.69 52.76 3hif s MET 163 Cb 0.00 -1.81 -0.01 0.00 2.01 0.00 0.00 34.83 35.02 3hif s MET 163 CO 0.00 0.43 -0.14 -1.14 -0.01 0.00 0.00 175.02 174.16 3hif s GLN 164 N -1.87 1.27 0.00 2.03 0.74 -0.36 0.22 119.66 121.68 3hif s GLN 164 Ca 0.12 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.02 3hif s GLN 164 Cb -0.10 -1.19 0.00 0.00 1.10 0.00 0.00 33.01 32.82 3hif s GLN 164 CO 0.05 0.27 0.00 0.44 -0.55 0.00 0.00 175.29 175.50 3hif n ILE 165 N 2.90 0.00 -3.69 -2.34 -5.35 0.35 0.46 119.36 111.68 3hif n ILE 165 Ca -0.16 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 3hif n ILE 165 Cb 0.54 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.33 3hif n ILE 165 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3hif s LYS 166 N 0.75 0.29 -0.29 6.28 2.47 -1.26 -2.71 119.74 125.26 3hif s LYS 166 Ca 0.00 0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 54.88 3hif s LYS 166 Cb 0.00 0.01 0.20 0.00 -1.46 0.00 0.00 37.83 36.58 3hif s LYS 166 CO 0.00 -0.20 1.39 -1.50 0.16 0.00 0.00 175.35 175.20 3hif s ILE 167 N 1.77 0.00 0.66 5.43 2.07 0.33 -4.97 121.20 126.49 3hif s ILE 167 Ca -0.06 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.11 3hif s ILE 167 Cb -0.10 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.52 3hif s ILE 167 CO -0.11 0.00 0.97 0.42 -1.91 0.00 0.00 174.94 174.31 3hif s THR 168 N -0.95 2.91 0.16 4.00 -4.23 -1.26 -4.52 115.64 111.75 3hif s THR 168 Ca 0.09 -0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 3hif s THR 168 Cb -0.01 -3.21 -0.14 0.00 1.34 0.00 0.00 72.50 70.47 3hif s THR 168 CO -0.09 -0.23 1.38 0.03 -0.54 0.00 0.00 174.62 175.17 3hif h ARG 169 N -0.42 0.32 0.00 3.99 3.08 -1.95 -3.26 114.38 116.14 3hif h ARG 169 Ca -0.45 -0.32 -0.17 0.00 0.07 0.00 0.00 59.98 59.12 3hif h ARG 169 Cb 1.29 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.40 3hif h ARG 169 CO 0.61 1.00 -0.79 -0.56 -1.07 0.00 0.00 179.97 179.15 3hif h GLN 170 N 0.19 0.00 -0.70 0.04 -0.00 -1.95 -3.05 115.11 109.64 3hif h GLN 170 Ca -0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.55 3hif h GLN 170 Cb 1.46 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.91 3hif h GLN 170 CO 0.14 0.79 0.23 0.93 -0.00 0.00 0.00 178.83 180.91 3hif h GLU 171 N 0.00 1.08 -0.43 0.06 5.08 -1.97 -0.82 114.58 117.58 3hif h GLU 171 Ca -0.01 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.06 3hif h GLU 171 Cb 1.44 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 3hif h GLU 171 CO 0.10 0.92 0.02 0.82 -1.00 0.00 0.00 179.01 179.88 3hif h ILE 172 N 1.02 1.26 -0.79 3.13 2.04 -1.59 -0.46 117.51 122.11 3hif h ILE 172 Ca 0.23 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3hif h ILE 172 Cb 0.29 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3hif h ILE 172 CO -0.01 0.34 0.42 1.23 0.00 0.00 0.00 178.15 180.13 3hif h GLY 173 N 0.58 1.19 0.91 5.37 0.00 -1.42 0.35 103.07 110.07 3hif h GLY 173 Ca 0.12 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3hif h GLY 173 CO 0.02 0.53 0.05 -1.61 0.00 0.00 0.00 176.54 175.53 3hif h GLN 174 N 1.11 0.15 -0.04 4.80 4.15 -0.93 0.78 115.11 125.12 3hif h GLN 174 Ca 0.28 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 3hif h GLN 174 Cb 0.06 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 3hif h GLN 174 CO -0.04 0.20 0.02 0.82 -1.93 0.00 0.00 178.83 177.90 3hif h ILE 175 N 0.06 1.07 -0.00 2.39 1.08 -0.81 -3.07 117.51 118.22 3hif h ILE 175 Ca 0.04 -0.20 -0.17 0.00 -0.39 0.00 0.00 64.86 64.14 3hif h ILE 175 Cb 0.10 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 3hif h ILE 175 CO -0.01 0.06 -0.79 0.58 -0.69 0.00 0.00 178.15 177.30 3hif h VAL 176 N -0.01 1.54 0.00 1.67 2.07 -0.91 -3.48 116.25 117.13 3hif h VAL 176 Ca 0.02 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.90 3hif h VAL 176 Cb 0.07 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3hif h VAL 176 CO -0.00 0.75 0.00 0.61 0.02 0.00 0.00 177.57 178.95 3hif n GLY 177 N 0.72 1.56 3.63 2.17 0.00 0.24 -5.07 105.19 108.44 3hif n GLY 177 Ca -0.01 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 3hif n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hif s SER 179 N -3.72 4.25 0.58 0.00 1.04 -1.26 -4.31 113.70 110.28 3hif s SER 179 Ca 0.33 1.74 0.35 0.00 0.48 0.00 0.00 55.95 58.86 3hif s SER 179 Cb 0.09 -2.44 1.68 0.00 0.10 0.00 0.00 66.02 65.45 3hif s SER 179 CO 0.17 -2.19 2.11 -0.09 0.98 0.00 0.00 173.24 174.22 3hif h ARG 180 N -1.23 0.00 0.03 4.02 2.43 -1.94 -2.80 114.38 114.88 3hif h ARG 180 Ca -0.45 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.45 3hif h ARG 180 Cb 1.24 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 3hif h ARG 180 CO 0.52 0.03 -1.42 0.93 -1.51 0.00 0.00 179.97 178.53 3hif h GLU 181 N 0.00 0.06 0.00 0.20 3.07 -1.96 -2.98 114.58 112.97 3hif h GLU 181 Ca -0.00 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 3hif h GLU 181 Cb 0.35 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3hif h GLU 181 CO 0.00 0.83 -0.28 1.15 -1.40 0.00 0.00 179.01 179.32 3hif h THR 182 N 0.02 1.16 -0.30 1.13 2.02 -1.87 -1.90 112.91 113.17 3hif h THR 182 Ca -0.18 -0.96 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 3hif h THR 182 Cb 1.93 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.85 3hif h THR 182 CO 0.12 0.27 -0.07 0.58 0.37 0.00 0.00 175.52 176.79 3hif h VAL 183 N 0.00 1.28 -0.29 3.16 2.07 -1.53 -2.71 116.25 118.24 3hif h VAL 183 Ca -0.00 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 3hif h VAL 183 Cb 0.50 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3hif h VAL 183 CO 0.04 0.35 0.18 1.23 0.02 0.00 0.00 177.57 179.39 3hif h GLY 184 N 0.34 0.42 1.25 2.17 0.00 -1.28 0.23 103.07 106.20 3hif h GLY 184 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3hif h GLY 184 CO 0.03 0.17 0.37 -0.09 0.00 0.00 0.00 176.54 177.02 3hif h ARG 185 N 0.37 0.98 -0.05 4.80 2.43 -1.40 -0.25 114.38 121.26 3hif h ARG 185 Ca 0.10 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 3hif h ARG 185 Cb 0.01 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3hif h ARG 185 CO -0.02 0.73 -0.53 0.82 -1.51 0.00 0.00 179.97 179.46 3hif h ILE 186 N 0.98 1.40 -0.92 1.20 5.03 -1.15 -1.98 117.51 122.08 3hif h ILE 186 Ca 0.25 -1.94 0.01 0.00 -0.12 0.00 0.00 64.86 63.05 3hif h ILE 186 Cb 0.05 2.41 -0.05 0.00 -3.03 0.00 0.00 36.82 36.20 3hif h ILE 186 CO -0.04 0.57 0.61 -0.07 -0.68 0.00 0.00 178.15 178.54 3hif h LEU 187 N -0.02 1.06 0.03 1.44 4.07 -0.37 0.34 115.31 121.86 3hif h LEU 187 Ca -0.05 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 3hif h LEU 187 Cb 1.21 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.69 3hif h LEU 187 CO 0.11 0.77 -0.02 0.50 -1.08 0.00 0.00 178.44 178.72 3hif h LYS 188 N 1.25 -0.04 -0.43 1.13 3.64 -1.06 -1.57 116.57 119.50 3hif h LYS 188 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3hif h LYS 188 Cb -0.14 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3hif h LYS 188 CO -0.07 0.00 0.27 1.98 -2.27 0.00 0.00 179.45 179.36 3hif h MET 189 N -0.08 0.57 -0.61 1.90 4.05 -0.67 -0.89 114.93 119.21 3hif h MET 189 Ca -0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 3hif h MET 189 Cb 0.06 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 3hif h MET 189 CO 0.01 0.40 0.32 -0.07 0.23 0.00 0.00 176.91 177.80 3hif h LEU 190 N 0.57 0.75 -0.53 3.39 3.38 -0.28 -1.70 115.31 120.89 3hif h LEU 190 Ca 0.16 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 3hif h LEU 190 Cb -0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3hif h LEU 190 CO -0.03 0.61 -0.70 -0.08 0.09 0.00 0.00 178.44 178.33 3hif h GLU 191 N 0.85 0.00 0.00 1.13 4.81 -0.91 -2.48 114.58 117.98 3hif h GLU 191 Ca 0.21 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3hif h GLU 191 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3hif h GLU 191 CO -0.03 0.70 -0.14 -0.44 -0.73 0.00 0.00 179.01 178.37 3hif h ASP 192 N 0.00 0.00 -0.24 1.04 3.32 -0.44 -2.77 116.42 117.32 3hif h ASP 192 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hif h ASP 192 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3hif h ASP 192 CO 0.09 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 3hif n GLN 193 N -3.23 1.84 -3.58 3.56 1.13 -0.71 -4.93 117.38 111.46 3hif n GLN 193 Ca 0.01 -1.28 -0.24 0.00 -1.94 0.00 0.00 57.00 53.55 3hif n GLN 193 Cb 0.43 -1.38 0.08 0.00 0.11 0.00 0.00 30.24 29.48 3hif n GLN 193 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hif n ASN 194 N 0.51 -6.28 -0.08 1.08 3.02 -1.05 -4.91 115.26 107.55 3hif n ASN 194 Ca 0.16 -0.54 -0.10 0.00 -0.03 0.00 0.00 54.58 54.07 3hif n ASN 194 Cb 0.36 -4.99 -0.09 0.00 -0.61 0.00 0.00 39.78 34.45 3hif n ASN 194 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hif n LEU 195 N -4.95 2.04 -4.20 3.41 4.77 -0.95 -4.93 117.00 112.18 3hif n LEU 195 Ca 0.00 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 3hif n LEU 195 Cb 0.56 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 3hif n LEU 195 CO 0.64 0.64 -0.19 0.27 -1.33 0.00 0.00 177.39 177.42 3hif s ILE 196 N -2.34 0.00 -0.11 -0.08 -4.36 -1.22 -1.77 121.20 111.33 3hif s ILE 196 Ca -0.18 -1.96 -0.01 0.00 -0.26 0.00 0.00 60.65 58.24 3hif s ILE 196 Cb 0.05 -2.49 0.03 0.00 1.25 0.00 0.00 42.46 41.31 3hif s ILE 196 CO 0.44 0.00 -0.03 -0.94 0.24 0.00 0.00 174.94 174.66 3hif s SER 197 N -3.18 2.07 -0.23 4.36 1.04 -0.25 -4.20 113.70 113.31 3hif s SER 197 Ca 0.38 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.40 3hif s SER 197 Cb 0.06 -0.64 -0.05 0.00 0.10 0.00 0.00 66.02 65.49 3hif s SER 197 CO 0.14 -0.18 0.17 0.00 0.98 0.00 0.00 173.24 174.35 3hif s ALA 198 N 1.84 3.62 -0.42 5.32 0.00 -1.26 -1.88 121.76 128.98 3hif s ALA 198 Ca 0.04 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.22 3hif s ALA 198 Cb -0.13 -2.32 0.17 0.00 0.00 0.00 0.00 23.12 20.84 3hif s ALA 198 CO -0.07 -0.13 0.45 -1.58 0.00 0.00 0.00 175.76 174.43 3hif s HIS 199 N 0.94 -0.20 0.00 0.00 2.46 -0.42 -5.03 115.29 113.03 3hif s HIS 199 Ca 0.09 -1.21 0.00 0.00 0.47 0.00 0.00 55.06 54.41 3hif s HIS 199 Cb -0.13 -0.38 0.00 0.00 -0.13 0.00 0.00 32.58 31.94 3hif s HIS 199 CO 0.04 -1.00 0.00 0.41 -2.47 0.00 0.00 174.74 171.71 3hif n GLY 200 N 3.52 1.64 0.14 1.59 0.00 -1.26 -2.62 105.19 108.20 3hif n GLY 200 Ca 0.18 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3hif n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hif h LYS 201 N 0.00 0.00 -5.90 1.61 6.56 -1.99 -3.45 116.57 113.40 3hif h LYS 201 Ca 0.00 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.99 3hif h LYS 201 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 31.56 3hif h LYS 201 CO 0.00 0.00 0.48 0.99 -2.06 0.00 0.00 179.45 178.86 3hif s THR 202 N -3.21 4.70 -0.08 -0.16 2.01 -1.08 -0.51 115.64 117.32 3hif s THR 202 Ca 0.06 1.15 0.03 0.00 0.31 0.00 0.00 61.69 63.24 3hif s THR 202 Cb 0.09 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.38 3hif s THR 202 CO 0.69 -0.39 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.44 3hif s ILE 203 N 3.19 1.40 -0.24 1.82 1.09 -1.10 -1.30 121.20 126.06 3hif s ILE 203 Ca 0.35 -0.63 -0.01 0.00 -1.10 0.00 0.00 60.65 59.25 3hif s ILE 203 Cb -0.13 -1.25 0.02 0.00 -1.06 0.00 0.00 42.46 40.05 3hif s ILE 203 CO 0.15 0.41 -0.08 0.54 -0.10 0.00 0.00 174.94 175.87 3hif s VAL 204 N 0.57 2.76 0.00 2.92 0.11 -0.79 0.13 120.40 126.10 3hif s VAL 204 Ca -0.16 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 3hif s VAL 204 Cb -0.16 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.32 3hif s VAL 204 CO 0.05 0.25 0.00 0.52 -3.33 0.00 0.00 175.10 172.59 3hif n VAL 205 N 4.66 0.00 -3.92 2.04 0.31 0.60 -1.09 118.33 120.93 3hif n VAL 205 Ca -0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 3hif n VAL 205 Cb 0.47 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.30 3hif n VAL 205 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3hif s TYR 206 N -0.08 0.14 0.00 3.52 4.12 -0.73 -4.08 117.35 120.24 3hif s TYR 206 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.07 56.77 3hif s TYR 206 Cb 0.00 -0.11 0.00 0.00 -1.52 0.00 0.00 41.96 40.33 3hif s TYR 206 CO 0.00 -0.26 0.00 0.41 0.02 0.00 0.00 175.55 175.72