#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hif n ASP 8 N 0.00 -2.48 -0.23 3.42 4.64 -1.26 -5.06 116.55 115.58 3hif n ASP 8 Ca 0.00 -3.17 0.03 0.00 -1.38 0.00 0.00 54.79 50.27 3hif n ASP 8 Cb 0.00 1.44 0.07 0.00 -1.04 0.00 0.00 41.12 41.59 3hif n ASP 8 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3hif n PRO 9 N 1.76 -0.08 0.22 -0.67 -0.02 -1.26 0.15 135.00 135.10 3hif n PRO 9 Ca 0.12 0.98 0.14 0.00 -2.02 0.00 0.00 63.50 62.72 3hif n PRO 9 Cb 0.61 -1.46 0.44 0.00 -0.02 0.00 0.00 33.50 33.06 3hif n PRO 9 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3hif h THR 10 N 0.00 0.00 -0.01 3.45 2.02 -1.97 -0.96 112.91 115.44 3hif h THR 10 Ca 0.28 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3hif h THR 10 Cb 0.44 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3hif h THR 10 CO -0.64 0.00 -0.60 -0.11 0.37 0.00 0.00 175.52 174.54 3hif n LEU 11 N -2.92 1.44 -0.03 2.58 0.00 0.39 -3.42 117.00 115.03 3hif n LEU 11 Ca 0.03 -0.54 -0.13 0.00 0.00 0.00 0.00 56.01 55.37 3hif n LEU 11 Cb 0.40 -0.04 -0.14 0.00 0.00 0.00 0.00 43.42 43.63 3hif n LEU 11 CO 0.29 0.29 -0.76 1.21 0.00 0.00 0.00 177.39 178.42 3hif n GLU 12 N -0.68 0.68 0.00 1.96 4.07 0.38 -4.33 120.64 122.72 3hif n GLU 12 Ca 0.08 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.41 3hif n GLU 12 Cb 0.40 -1.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 3hif n GLU 12 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 3hif n TRP 13 N -3.14 0.00 -1.52 4.31 -0.00 -0.63 -3.50 117.44 112.96 3hif n TRP 13 Ca -0.26 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.07 3hif n TRP 13 Cb 1.06 -0.31 -0.15 0.00 -0.00 0.00 0.00 31.31 31.91 3hif n TRP 13 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3hif n PHE 14 N -1.42 0.56 0.00 5.87 -0.00 -1.22 0.69 117.46 121.93 3hif n PHE 14 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 3hif n PHE 14 Cb 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 39.48 37.96 3hif n PHE 14 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3hif n LEU 15 N 11.91 0.00 0.31 -2.13 7.94 -1.26 -4.58 117.00 129.19 3hif n LEU 15 Ca 0.57 0.00 0.21 0.00 -1.11 0.00 0.00 56.01 55.68 3hif n LEU 15 Cb 0.28 0.00 1.02 0.00 0.53 0.00 0.00 43.42 45.26 3hif n LEU 15 CO 0.82 0.00 1.11 0.77 -1.11 0.00 0.00 177.39 178.98 3hif h SER 16 N 0.00 0.00 -2.30 1.96 4.64 0.22 -3.26 113.55 114.81 3hif h SER 16 Ca 0.00 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.57 3hif h SER 16 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 3hif h SER 16 CO 0.00 0.00 0.59 1.41 -0.87 0.00 0.00 176.83 177.96 3hif n HIS 17 N -3.04 3.07 0.00 4.77 8.25 -1.19 -4.96 115.22 122.11 3hif n HIS 17 Ca -0.02 -2.94 0.00 0.00 -0.26 0.00 0.00 57.72 54.51 3hif n HIS 17 Cb 0.15 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.24 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 -2.00 3.34 -0.17 0.00 3.76 -1.04 -4.84 115.29 114.34 3hif s HIS 19 Ca 0.00 0.81 -0.14 0.00 -0.15 0.00 0.00 55.06 55.58 3hif s HIS 19 Cb 0.00 -2.76 -0.05 0.00 1.11 0.00 0.00 32.58 30.89 3hif s HIS 19 CO 0.00 -0.20 0.31 0.42 -0.85 0.00 0.00 174.74 174.41 3hif s ILE 20 N 2.02 5.29 -0.02 0.60 1.01 -1.26 -1.52 121.20 127.32 3hif s ILE 20 Ca 0.25 0.57 0.08 0.00 0.00 0.00 0.00 60.65 61.55 3hif s ILE 20 Cb -0.16 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 3hif s ILE 20 CO 0.09 0.36 -0.26 -1.00 0.00 0.00 0.00 174.94 174.14 3hif s HIS 21 N 0.64 2.34 0.20 3.97 3.76 -0.48 -4.93 115.29 120.79 3hif s HIS 21 Ca 0.17 -0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 54.48 3hif s HIS 21 Cb -0.13 -1.50 -0.08 0.00 1.11 0.00 0.00 32.58 31.98 3hif s HIS 21 CO 0.05 -0.03 0.65 0.15 -0.85 0.00 0.00 174.74 174.70 3hif s LYS 22 N -0.62 4.11 -0.07 1.40 1.02 -1.26 -0.08 119.74 124.24 3hif s LYS 22 Ca 0.10 0.68 -0.02 0.00 0.02 0.00 0.00 55.97 56.76 3hif s LYS 22 Cb -0.10 -2.86 0.03 0.00 -0.52 0.00 0.00 37.83 34.38 3hif s LYS 22 CO -0.01 0.41 0.03 0.71 -0.92 0.00 0.00 175.35 175.57 3hif s TYR 23 N -1.54 0.46 0.40 3.18 2.02 0.68 -4.96 117.35 117.60 3hif s TYR 23 Ca 0.42 -0.06 -0.25 0.00 -0.37 0.00 0.00 57.07 56.81 3hif s TYR 23 Cb -0.15 -0.70 -0.08 0.00 -0.40 0.00 0.00 41.96 40.62 3hif s TYR 23 CO 0.20 -0.30 1.17 -1.25 -1.57 0.00 0.00 175.55 173.80 3hif s PRO 24 N 2.04 4.03 0.38 -1.71 0.04 -1.26 -0.52 135.00 138.00 3hif s PRO 24 Ca 0.05 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 3hif s PRO 24 Cb -0.12 -2.66 -0.11 0.00 0.04 0.00 0.00 34.50 31.65 3hif s PRO 24 CO -0.05 -0.34 1.06 -1.13 0.04 0.00 0.00 177.00 176.58 3hif n SER 25 N 0.03 1.52 0.00 6.66 3.41 -1.26 -1.94 113.62 122.04 3hif n SER 25 Ca 0.04 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 3hif n SER 25 Cb 0.46 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 3hif n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hif n LYS 26 N 0.32 -0.11 -3.46 4.33 4.01 0.55 -4.94 118.16 118.86 3hif n LYS 26 Ca 0.09 0.03 -0.38 0.00 -0.51 0.00 0.00 58.31 57.54 3hif n LYS 26 Cb 0.37 -2.98 -0.08 0.00 -0.51 0.00 0.00 35.03 31.83 3hif n LYS 26 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3hif s SER 27 N -2.37 6.33 0.30 4.39 1.04 -0.82 -4.83 113.70 117.74 3hif s SER 27 Ca 0.00 0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.52 3hif s SER 27 Cb 0.00 -2.20 -0.10 0.00 0.10 0.00 0.00 66.02 63.83 3hif s SER 27 CO 0.00 -0.05 1.28 -0.89 0.98 0.00 0.00 173.24 174.56 3hif s THR 28 N 1.32 2.93 -0.23 2.02 2.01 -1.26 -2.24 115.64 120.19 3hif s THR 28 Ca 0.16 0.90 -0.16 0.00 0.31 0.00 0.00 61.69 62.89 3hif s THR 28 Cb -0.14 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 3hif s THR 28 CO 0.07 0.20 -0.29 0.18 -0.69 0.00 0.00 174.62 174.09 3hif n LEU 29 N 1.24 1.93 -4.31 4.42 4.32 -0.43 -4.93 117.00 119.24 3hif n LEU 29 Ca 0.01 0.36 -0.33 0.00 -0.02 0.00 0.00 56.01 56.04 3hif n LEU 29 Cb 0.42 -0.81 -0.15 0.00 -1.62 0.00 0.00 43.42 41.26 3hif n LEU 29 CO 0.58 0.17 -0.49 -0.63 -1.22 0.00 0.00 177.39 175.80 3hif s ILE 30 N -2.62 2.68 0.40 -0.08 -1.09 -1.14 -4.99 121.20 114.35 3hif s ILE 30 Ca -0.33 -0.80 0.06 0.00 -2.23 0.00 0.00 60.65 57.36 3hif s ILE 30 Cb 0.09 -2.09 0.01 0.00 -1.58 0.00 0.00 42.46 38.88 3hif s ILE 30 CO 0.46 0.54 0.56 -1.00 -1.23 0.00 0.00 174.94 174.26 3hif s HIS 31 N 0.37 2.94 0.53 3.97 3.76 -1.26 -1.30 115.29 124.30 3hif s HIS 31 Ca -0.14 -0.27 -0.20 0.00 -0.15 0.00 0.00 55.06 54.31 3hif s HIS 31 Cb -0.17 -2.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.18 3hif s HIS 31 CO 0.07 -0.32 1.11 -1.14 -0.85 0.00 0.00 174.74 173.61 3hif s GLN 32 N -4.34 3.44 -0.01 1.40 0.74 -1.26 -3.54 119.66 116.09 3hif s GLN 32 Ca 0.51 1.57 0.00 0.00 0.05 0.00 0.00 55.36 57.49 3hif s GLN 32 Cb -0.10 -2.03 0.00 0.00 1.10 0.00 0.00 33.01 31.99 3hif s GLN 32 CO 0.33 -0.77 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 3hif n GLY 33 N 0.09 0.30 0.36 2.59 0.00 -1.26 -4.94 105.19 102.33 3hif n GLY 33 Ca 0.11 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.35 -0.10 0.00 1.61 1.02 -1.23 -4.47 120.64 116.12 3hif n GLU 34 Ca -0.00 1.55 0.00 0.00 -0.02 0.00 0.00 57.16 58.69 3hif n GLU 34 Cb 0.21 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 3hif n GLU 34 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hif n LYS 35 N -5.61 0.00 -2.37 3.49 4.81 -1.26 -4.98 118.16 112.24 3hif n LYS 35 Ca 0.15 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.16 3hif n LYS 35 Cb 0.49 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.52 3hif n LYS 35 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hif s ALA 36 N 0.00 3.20 0.00 3.14 0.00 -1.26 -4.76 121.76 122.08 3hif s ALA 36 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3hif s ALA 36 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.26 3hif s ALA 36 CO 0.00 -2.10 0.78 0.39 0.00 0.00 0.00 175.76 174.83 3hif n GLU 37 N 7.72 0.00 -3.64 0.00 1.02 -1.26 -4.88 120.64 119.60 3hif n GLU 37 Ca 0.16 -0.65 -0.06 0.00 -0.02 0.00 0.00 57.16 56.58 3hif n GLU 37 Cb 0.47 -0.35 -0.07 0.00 -0.02 0.00 0.00 31.44 31.47 3hif n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hif s THR 38 N 0.00 0.00 0.00 2.62 2.01 -1.26 -1.81 115.64 117.20 3hif s THR 38 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3hif s THR 38 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3hif s THR 38 CO 0.00 0.00 0.00 -0.11 -0.69 0.00 0.00 174.62 173.82 3hif n LEU 39 N 1.77 -1.51 -4.43 4.42 7.94 -1.20 -4.80 117.00 119.18 3hif n LEU 39 Ca -0.11 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.51 3hif n LEU 39 Cb 0.57 -0.76 -0.12 0.00 0.53 0.00 0.00 43.42 43.64 3hif n LEU 39 CO 0.03 0.00 -0.53 -0.31 -1.11 0.00 0.00 177.39 175.47 3hif s TYR 40 N -1.96 2.36 -0.14 1.96 2.02 -1.25 -2.20 117.35 118.14 3hif s TYR 40 Ca 0.00 -0.34 -0.00 0.00 -0.37 0.00 0.00 57.07 56.35 3hif s TYR 40 Cb 0.00 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.38 3hif s TYR 40 CO 0.00 0.44 -0.08 -0.47 -1.57 0.00 0.00 175.55 173.87 3hif s TYR 41 N -1.43 1.70 -0.44 2.71 5.04 0.42 0.28 117.35 125.62 3hif s TYR 41 Ca 0.19 -0.96 -0.28 0.00 -2.44 0.00 0.00 57.07 53.57 3hif s TYR 41 Cb -0.09 -1.33 0.01 0.00 0.35 0.00 0.00 41.96 40.90 3hif s TYR 41 CO 0.09 -0.58 1.46 0.42 -1.34 0.00 0.00 175.55 175.60 3hif s ILE 42 N 1.64 3.82 0.14 3.14 1.01 0.52 -0.74 121.20 130.72 3hif s ILE 42 Ca 0.03 0.81 0.06 0.00 0.00 0.00 0.00 60.65 61.55 3hif s ILE 42 Cb -0.14 -4.20 -0.19 0.00 0.01 0.00 0.00 42.46 37.95 3hif s ILE 42 CO -0.08 -0.82 1.31 0.58 0.00 0.00 0.00 174.94 175.93 3hif h VAL 43 N 6.50 1.64 -1.83 2.92 2.07 -1.44 0.10 116.25 126.20 3hif h VAL 43 Ca -0.28 -3.16 0.04 0.00 0.82 0.00 0.00 66.70 64.13 3hif h VAL 43 Cb 1.11 2.74 -0.23 0.00 -1.52 0.00 0.00 31.29 33.39 3hif h VAL 43 CO 1.10 0.91 0.17 -0.75 0.02 0.00 0.00 177.57 179.03 3hif s LYS 44 N -2.86 0.61 0.00 1.57 2.20 -1.12 -4.67 119.74 115.47 3hif s LYS 44 Ca -0.00 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 3hif s LYS 44 Cb 0.10 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 3hif s LYS 44 CO 0.82 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 176.11 3hif n GLY 45 N 3.76 -0.31 3.33 5.54 0.00 -1.26 -1.51 105.19 114.74 3hif n GLY 45 Ca -0.18 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 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 -4.00 -0.32 0.32 1.61 1.04 -1.26 -1.48 113.70 109.60 3hif s SER 46 Ca 0.00 0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.67 3hif s SER 46 Cb 0.00 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 3hif s SER 46 CO 0.00 -0.55 0.09 0.68 0.98 0.00 0.00 173.24 174.44 3hif s VAL 47 N -1.62 0.87 -0.08 5.02 -7.23 0.54 -2.62 120.40 115.29 3hif s VAL 47 Ca -0.11 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.06 3hif s VAL 47 Cb -0.03 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 34.27 3hif s VAL 47 CO 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.78 3hif s ALA 48 N -3.43 0.93 -0.70 1.32 0.00 0.65 -2.21 121.76 118.32 3hif s ALA 48 Ca 0.35 -0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 3hif s ALA 48 Cb 0.07 -0.68 0.05 0.00 0.00 0.00 0.00 23.12 22.56 3hif s ALA 48 CO 0.15 -0.26 1.12 0.08 0.00 0.00 0.00 175.76 176.85 3hif s VAL 49 N 1.46 4.04 0.01 0.00 1.01 -1.24 -1.89 120.40 123.79 3hif s VAL 49 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3hif s VAL 49 Cb -0.13 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.45 3hif s VAL 49 CO -0.04 -1.65 0.01 0.18 0.00 0.00 0.00 175.10 173.60 3hif n LEU 50 N 8.50 0.00 -3.61 3.92 4.77 -1.18 -0.20 117.00 129.21 3hif n LEU 50 Ca 0.00 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 3hif n LEU 50 Cb 0.47 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3hif n LEU 50 CO 0.67 -0.50 0.95 0.27 -1.33 0.00 0.00 177.39 177.45 3hif s ILE 51 N 0.46 0.00 -0.16 -0.08 -4.36 -1.12 -3.22 121.20 112.72 3hif s ILE 51 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 60.65 60.36 3hif s ILE 51 Cb -0.00 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 3hif s ILE 51 CO 0.00 0.00 -0.05 -0.75 0.24 0.00 0.00 174.94 174.39 3hif s LYS 52 N -1.15 3.61 0.00 0.37 2.47 -1.26 -2.39 119.74 121.38 3hif s LYS 52 Ca 0.03 -0.55 0.00 0.00 -1.56 0.00 0.00 55.97 53.89 3hif s LYS 52 Cb -0.01 -2.90 0.00 0.00 -1.46 0.00 0.00 37.83 33.46 3hif s LYS 52 CO -0.03 0.18 0.00 -3.47 0.16 0.00 0.00 175.35 172.19 3hif n ASP 53 N 3.70 0.00 -4.67 1.43 2.03 -1.26 -4.96 116.55 112.83 3hif n ASP 53 Ca -0.17 -0.37 -0.48 0.00 0.52 0.00 0.00 54.79 54.28 3hif n ASP 53 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 3hif n ASP 53 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3hif n GLU 54 N -0.37 2.00 0.00 -0.67 -0.58 -1.26 -3.98 120.64 115.78 3hif n GLU 54 Ca 0.00 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 3hif n GLU 54 Cb 0.00 -2.50 0.00 0.00 -0.57 0.00 0.00 31.44 28.37 3hif n GLU 54 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3hif n GLU 55 N 4.40 0.00 -3.82 3.49 0.28 -1.26 -4.80 120.64 118.94 3hif n GLU 55 Ca 0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.10 3hif n GLU 55 Cb 0.27 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.10 3hif n GLU 55 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3hif s GLY 56 N 0.00 0.10 0.00 -1.84 0.00 -1.26 -5.05 107.32 99.27 3hif s GLY 56 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3hif s GLY 56 CO 0.00 -0.41 0.00 0.28 0.00 0.00 0.00 173.10 172.97 3hif n LYS 57 N -0.33 0.00 -3.57 2.90 4.01 -1.26 -4.75 118.16 115.15 3hif n LYS 57 Ca -0.08 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.52 3hif n LYS 57 Cb 0.62 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 35.08 3hif n LYS 57 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3hif n GLU 58 N 0.00 -0.94 -1.70 1.97 1.02 -1.25 -4.68 120.64 115.06 3hif n GLU 58 Ca 0.00 0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.77 3hif n GLU 58 Cb 0.00 -2.29 -0.03 0.00 -0.02 0.00 0.00 31.44 29.10 3hif n GLU 58 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3hif n MET 59 N -3.11 2.61 -0.44 3.49 1.56 -1.01 -4.32 117.12 115.91 3hif n MET 59 Ca -0.16 0.94 -0.15 0.00 -0.27 0.00 0.00 57.70 58.06 3hif n MET 59 Cb 0.40 -2.77 0.13 0.00 2.15 0.00 0.00 33.22 33.13 3hif n MET 59 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 3hif n ILE 60 N 3.89 0.00 0.00 1.12 -0.00 -1.26 -2.81 119.36 120.29 3hif n ILE 60 Ca 0.16 -0.19 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 3hif n ILE 60 Cb 0.33 -0.98 0.00 0.00 -0.00 0.00 0.00 39.64 38.99 3hif n ILE 60 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 3hif n LEU 61 N 0.00 0.00 0.00 1.39 0.00 0.72 -4.75 117.00 114.36 3hif n LEU 61 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.08 3hif n LEU 61 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.74 3hif n LEU 61 CO 0.20 -0.04 0.00 -0.24 0.00 0.00 0.00 177.39 177.31 3hif n SER 62 N -1.58 0.00 -3.16 1.96 2.88 -1.13 -4.95 113.62 107.65 3hif n SER 62 Ca 0.00 -0.57 0.04 0.00 -1.33 0.00 0.00 58.87 57.01 3hif n SER 62 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3hif n SER 62 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3hif s TYR 63 N -5.65 -1.83 -0.12 0.66 2.02 -1.26 -3.66 117.35 107.51 3hif s TYR 63 Ca 0.00 1.09 -0.06 0.00 -0.37 0.00 0.00 57.07 57.73 3hif s TYR 63 Cb 0.00 0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.83 3hif s TYR 63 CO 0.00 -1.08 0.11 -0.51 -1.57 0.00 0.00 175.55 172.50 3hif s LEU 64 N 2.82 4.18 0.00 -1.29 1.43 -0.94 -4.94 118.68 119.94 3hif s LEU 64 Ca 0.10 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 3hif s LEU 64 Cb -0.10 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 3hif s LEU 64 CO -0.26 0.37 0.01 0.59 0.23 0.00 0.00 176.35 177.29 3hif n ASN 65 N 2.23 2.92 -4.49 2.29 3.02 -1.26 -0.34 115.26 119.63 3hif n ASN 65 Ca -0.19 -2.62 -0.56 0.00 -0.03 0.00 0.00 54.58 51.18 3hif n ASN 65 Cb 0.54 0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 39.93 3hif n ASN 65 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3hif n GLN 66 N -0.91 0.13 -1.12 3.52 7.27 -0.55 -2.15 117.38 123.57 3hif n GLN 66 Ca -0.15 0.04 0.00 0.00 0.07 0.00 0.00 57.00 56.97 3hif n GLN 66 Cb 0.47 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.67 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 1.69 0.77 3.32 1.69 0.00 0.35 -5.02 105.19 107.99 3hif n GLY 67 Ca 0.19 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.69 3.04 0.22 1.61 1.01 -0.91 -4.95 116.67 114.00 3hif s ASP 68 Ca 0.00 -0.54 -0.03 0.00 0.71 0.00 0.00 52.55 52.69 3hif s ASP 68 Cb 0.00 -0.30 -0.05 0.00 1.01 0.00 0.00 42.92 43.59 3hif s ASP 68 CO 0.00 0.27 0.44 -0.36 0.21 0.00 0.00 175.17 175.73 3hif s PHE 69 N -0.73 3.48 0.25 4.23 0.08 -1.26 -0.36 117.98 123.67 3hif s PHE 69 Ca 0.11 0.48 0.09 0.00 0.12 0.00 0.00 56.93 57.73 3hif s PHE 69 Cb -0.10 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 3hif s PHE 69 CO 0.01 0.32 0.00 0.42 -0.10 0.00 0.00 175.22 175.87 3hif s ILE 70 N -1.90 3.53 0.00 0.64 -1.09 0.14 -4.75 121.20 117.77 3hif s ILE 70 Ca 0.41 -1.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.04 3hif s ILE 70 Cb -0.11 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 3hif s ILE 70 CO 0.28 -0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 3hif n GLY 71 N -0.73 0.00 0.04 6.18 0.00 -1.26 -3.32 105.19 106.09 3hif n GLY 71 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.46 0.13 0.10 1.61 0.00 -1.26 -3.25 120.64 117.50 3hif n GLU 72 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 57.16 57.17 3hif n GLU 72 Cb 0.00 -1.60 0.08 0.00 0.00 0.00 0.00 31.44 29.92 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 0.17 -0.92 -1.84 4.07 -1.93 -3.16 115.31 111.69 3hif h LEU 73 Ca 0.00 -0.11 -0.08 0.00 0.08 0.00 0.00 57.88 57.76 3hif h LEU 73 Cb 0.61 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 3hif h LEU 73 CO 0.00 0.83 -0.08 1.23 -1.08 0.00 0.00 178.44 179.33 3hif h GLY 74 N 1.80 0.76 -0.55 0.83 0.00 -1.92 -3.19 103.07 100.81 3hif h GLY 74 Ca -0.02 -0.54 0.15 0.00 0.00 0.00 0.00 47.33 46.92 3hif h GLY 74 CO 0.10 0.50 -0.21 -2.00 0.00 0.00 0.00 176.54 174.94 3hif h LEU 75 N 0.65 -0.76 -9.65 3.11 5.85 -1.72 -3.38 115.31 109.40 3hif h LEU 75 Ca 0.12 0.23 -0.58 0.00 0.84 0.00 0.00 57.88 58.49 3hif h LEU 75 Cb 0.52 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3hif h LEU 75 CO 0.03 -0.26 -0.08 -0.36 -0.34 0.00 0.00 178.44 177.43 3hif s PHE 76 N -6.22 3.76 0.00 1.25 0.08 -1.21 -4.82 117.98 110.82 3hif s PHE 76 Ca -0.15 1.17 0.00 0.00 0.12 0.00 0.00 56.93 58.08 3hif s PHE 76 Cb 0.22 -2.46 0.00 0.00 -0.57 0.00 0.00 43.02 40.21 3hif s PHE 76 CO 0.75 0.55 0.00 -1.91 -0.10 0.00 0.00 175.22 174.51 3hif n GLU 77 N 1.98 0.00 -1.69 0.44 2.13 -1.26 -4.97 120.64 117.27 3hif n GLU 77 Ca -0.11 0.44 -0.36 0.00 0.66 0.00 0.00 57.16 57.79 3hif n GLU 77 Cb 0.51 -0.42 0.07 0.00 0.27 0.00 0.00 31.44 31.88 3hif n GLU 77 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3hif s GLU 78 N -1.94 2.48 0.00 5.31 0.41 -1.26 -4.56 118.70 119.14 3hif s GLU 78 Ca 0.00 1.97 0.00 0.00 -0.41 0.00 0.00 54.97 56.53 3hif s GLU 78 Cb 0.00 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.50 3hif s GLU 78 CO 0.00 -1.62 0.00 0.41 -0.49 0.00 0.00 175.26 173.56 3hif n GLY 79 N 0.75 0.83 2.21 -1.39 0.00 -1.26 -5.05 105.19 101.27 3hif n GLY 79 Ca 0.15 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 3hif n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hif n GLN 80 N 0.00 -1.64 -3.51 1.61 1.13 -1.26 -4.10 117.38 109.61 3hif n GLN 80 Ca 0.00 0.45 -0.41 0.00 -1.94 0.00 0.00 57.00 55.10 3hif n GLN 80 Cb 0.00 -4.31 -0.10 0.00 0.11 0.00 0.00 30.24 25.94 3hif n GLN 80 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 3hif s GLU 81 N -1.94 3.37 0.00 -1.09 -1.05 -1.26 -4.49 118.70 112.24 3hif s GLU 81 Ca 0.00 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 3hif s GLU 81 Cb 0.00 -3.85 0.00 0.00 -0.44 0.00 0.00 34.13 29.84 3hif s GLU 81 CO 0.00 -0.52 0.00 -2.13 0.95 0.00 0.00 175.26 173.56 3hif n ARG 82 N 5.12 0.00 -0.57 -4.83 3.00 -1.26 -4.59 116.66 113.53 3hif n ARG 82 Ca -0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.53 3hif n ARG 82 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.97 3hif n ARG 82 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3hif n SER 83 N 0.00 -3.19 0.00 6.15 2.88 -1.26 -4.38 113.62 113.82 3hif n SER 83 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 3hif n SER 83 Cb 0.00 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 3hif n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hif n ALA 84 N -1.31 0.00 0.00 -1.46 0.00 -1.26 -4.89 120.51 111.58 3hif n ALA 84 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hif n ALA 84 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3hif n ALA 84 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3hif n TRP 85 N 4.18 0.00 -3.69 0.00 -0.00 -1.20 -4.34 117.44 112.38 3hif n TRP 85 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.38 3hif n TRP 85 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.22 3hif n TRP 85 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3hif s VAL 86 N -2.00 -0.01 0.05 5.87 1.01 -0.42 -3.08 120.40 121.83 3hif s VAL 86 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3hif s VAL 86 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 3hif s VAL 86 CO 0.00 0.01 0.03 -0.60 0.00 0.00 0.00 175.10 174.54 3hif s ARG 87 N 0.65 0.64 -0.28 2.72 3.52 -0.79 -1.31 118.95 124.11 3hif s ARG 87 Ca -0.03 -1.08 -0.17 0.00 -0.13 0.00 0.00 55.73 54.32 3hif s ARG 87 Cb -0.05 0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.55 3hif s ARG 87 CO -0.04 -0.14 0.48 0.00 -0.81 0.00 0.00 175.30 174.79 3hif s ALA 88 N -3.63 3.57 0.00 6.12 0.00 -0.95 -0.25 121.76 126.62 3hif s ALA 88 Ca 0.04 -0.72 -0.20 0.00 0.00 0.00 0.00 51.96 51.08 3hif s ALA 88 Cb 0.05 -2.87 -0.11 0.00 0.00 0.00 0.00 23.12 20.19 3hif s ALA 88 CO -0.09 -0.80 0.95 -0.22 0.00 0.00 0.00 175.76 175.60 3hif h LYS 89 N 8.12 -0.71 -6.41 0.00 1.63 -1.79 1.62 116.57 119.03 3hif h LYS 89 Ca -0.29 0.05 -0.43 0.00 -0.85 0.00 0.00 60.65 59.12 3hif h LYS 89 Cb 1.14 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.95 3hif h LYS 89 CO 0.71 -0.47 -0.27 0.95 -3.45 0.00 0.00 179.45 176.91 3hif s THR 90 N -4.06 2.91 -0.20 1.00 -4.23 -1.22 -3.93 115.64 105.90 3hif s THR 90 Ca -0.11 -1.05 -0.29 0.00 -1.18 0.00 0.00 61.69 59.06 3hif s THR 90 Cb 0.01 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 3hif s THR 90 CO 0.32 0.00 1.65 0.00 -0.54 0.00 0.00 174.62 176.05 3hif s ALA 91 N -2.38 3.28 0.09 3.99 0.00 -1.26 -4.06 121.76 121.42 3hif s ALA 91 Ca 0.54 0.53 0.03 0.00 0.00 0.00 0.00 51.96 53.07 3hif s ALA 91 Cb -0.09 -3.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 3hif s ALA 91 CO 0.32 -1.94 -0.09 0.00 0.00 0.00 0.00 175.76 174.05 3hif s GLU 93 N -2.75 3.82 -0.20 0.00 2.02 -0.57 -0.23 118.70 120.79 3hif s GLU 93 Ca 0.04 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 54.64 3hif s GLU 93 Cb -0.03 -3.42 0.04 0.00 0.10 0.00 0.00 34.13 30.82 3hif s GLU 93 CO -0.01 -0.10 -0.10 0.08 0.02 0.00 0.00 175.26 175.15 3hif s VAL 94 N 1.42 1.63 0.26 2.63 1.01 0.89 -1.09 120.40 127.14 3hif s VAL 94 Ca 0.06 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 3hif s VAL 94 Cb -0.15 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 3hif s VAL 94 CO 0.05 0.18 0.87 0.00 0.00 0.00 0.00 175.10 176.21 3hif s ALA 95 N 1.40 3.32 0.00 5.51 0.00 0.08 -1.38 121.76 130.70 3hif s ALA 95 Ca -0.01 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 3hif s ALA 95 Cb -0.16 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3hif s ALA 95 CO -0.08 0.23 0.06 -1.83 0.00 0.00 0.00 175.76 174.13 3hif s GLU 96 N -1.66 0.34 -0.05 0.00 -1.05 -0.58 0.16 118.70 115.87 3hif s GLU 96 Ca 0.44 -0.40 -0.06 0.00 -0.15 0.00 0.00 54.97 54.80 3hif s GLU 96 Cb -0.21 0.13 0.01 0.00 -0.44 0.00 0.00 34.13 33.63 3hif s GLU 96 CO 0.26 -0.07 0.15 -1.50 0.95 0.00 0.00 175.26 175.05 3hif s ILE 97 N -1.17 0.01 0.41 1.83 1.10 -0.93 -2.50 121.20 119.95 3hif s ILE 97 Ca -0.13 -0.10 -0.26 0.00 -0.51 0.00 0.00 60.65 59.65 3hif s ILE 97 Cb -0.07 -0.25 -0.09 0.00 0.15 0.00 0.00 42.46 42.19 3hif s ILE 97 CO 0.00 -0.05 1.40 -0.94 -2.11 0.00 0.00 174.94 173.24 3hif s SER 98 N -0.12 6.15 0.23 4.50 1.04 -1.26 -4.44 113.70 119.80 3hif s SER 98 Ca -0.02 2.87 -0.07 0.00 0.48 0.00 0.00 55.95 59.21 3hif s SER 98 Cb -0.02 -2.65 0.38 0.00 0.10 0.00 0.00 66.02 63.82 3hif s SER 98 CO 0.00 -0.98 1.70 1.88 0.98 0.00 0.00 173.24 176.82 3hif h TYR 99 N 2.64 0.24 -0.52 5.02 0.99 -1.74 -1.33 116.97 122.28 3hif h TYR 99 Ca -0.50 0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.16 3hif h TYR 99 Cb 1.25 -0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.96 3hif h TYR 99 CO 0.52 -0.05 -0.08 -0.22 -0.00 0.00 0.00 178.16 178.33 3hif h LYS 100 N 0.27 0.94 -0.45 4.88 3.64 -1.90 0.12 116.57 124.07 3hif h LYS 100 Ca 0.36 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3hif h LYS 100 Cb 0.58 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3hif h LYS 100 CO -0.45 0.98 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.46 3hif h LYS 101 N 0.84 0.81 -0.34 1.90 3.64 -1.81 -2.42 116.57 119.19 3hif h LYS 101 Ca 0.14 -0.27 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3hif h LYS 101 Cb 0.61 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 3hif h LYS 101 CO 0.04 0.88 0.10 0.35 -2.27 0.00 0.00 179.45 178.55 3hif h PHE 102 N 0.65 0.17 -0.16 1.91 3.57 -0.89 -0.06 116.94 122.14 3hif h PHE 102 Ca 0.12 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3hif h PHE 102 Cb 0.53 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3hif h PHE 102 CO 0.04 0.06 0.24 0.00 -2.23 0.00 0.00 178.31 176.42 3hif h ARG 103 N 0.23 0.00 0.19 1.11 3.08 -0.46 0.16 114.38 118.69 3hif h ARG 103 Ca 0.15 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.87 3hif h ARG 103 Cb 0.14 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.21 3hif h ARG 103 CO -0.17 0.00 -1.60 1.96 -1.07 0.00 0.00 179.97 179.09 3hif h GLN 104 N 0.00 0.41 -0.99 0.04 4.20 -0.63 -3.32 115.11 114.82 3hif h GLN 104 Ca 0.07 -0.70 0.01 0.00 0.06 0.00 0.00 58.65 58.09 3hif h GLN 104 Cb 0.54 0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.54 3hif h GLN 104 CO -0.00 1.34 0.64 -0.07 -0.67 0.00 0.00 178.83 180.07 3hif h LEU 105 N 0.04 1.15 -0.97 1.46 3.38 0.77 -1.77 115.31 119.36 3hif h LEU 105 Ca -0.31 -0.04 0.28 0.00 0.09 0.00 0.00 57.88 57.91 3hif h LEU 105 Cb 2.05 -0.29 -0.14 0.00 0.09 0.00 0.00 40.66 42.37 3hif h LEU 105 CO 0.19 0.84 0.50 0.40 0.09 0.00 0.00 178.44 180.45 3hif h ILE 106 N 1.35 0.36 -0.20 1.22 1.08 -0.89 0.20 117.51 120.63 3hif h ILE 106 Ca 0.36 -0.12 -0.17 0.00 -0.39 0.00 0.00 64.86 64.54 3hif h ILE 106 Cb -0.14 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.59 3hif h ILE 106 CO -0.08 0.07 -0.54 1.56 -0.69 0.00 0.00 178.15 178.47 3hif h GLN 107 N 0.36 0.73 0.34 2.37 1.08 -1.46 -2.81 115.11 115.71 3hif h GLN 107 Ca 0.67 -0.51 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3hif h GLN 107 Cb 1.43 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.93 3hif h GLN 107 CO -0.59 1.13 -0.28 0.28 -0.95 0.00 0.00 178.83 178.43 3hif h VAL 108 N 0.44 0.42 -1.78 -0.54 2.07 -0.34 -3.41 116.25 113.11 3hif h VAL 108 Ca -0.01 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.30 3hif h VAL 108 Cb 1.16 0.42 -0.29 0.00 -1.52 0.00 0.00 31.29 31.05 3hif h VAL 108 CO 0.12 0.00 -0.56 0.21 0.02 0.00 0.00 177.57 177.36 3hif s ASN 109 N -4.67 0.62 0.00 0.57 3.84 -0.30 -5.04 114.94 109.97 3hif s ASN 109 Ca -0.16 -0.47 0.08 0.00 0.21 0.00 0.00 52.86 52.52 3hif s ASN 109 Cb 0.06 1.00 0.39 0.00 -0.55 0.00 0.00 41.25 42.14 3hif s ASN 109 CO 0.64 -0.36 1.16 -0.81 -2.79 0.00 0.00 177.10 174.94 3hif n PRO 110 N 5.33 0.09 -0.34 0.43 -0.04 -1.06 -3.42 135.00 135.99 3hif n PRO 110 Ca 0.00 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 3hif n PRO 110 Cb 0.49 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.00 0.71 0.50 3.54 3.58 -1.93 0.11 116.42 122.93 3hif h ASP 111 Ca 0.00 0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 3hif h ASP 111 Cb 0.09 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 3hif h ASP 111 CO 0.00 0.26 -0.31 0.40 -2.88 0.00 0.00 179.24 176.71 3hif h ILE 112 N 0.73 0.99 0.00 2.25 5.03 -1.87 0.29 117.51 124.93 3hif h ILE 112 Ca 0.55 -1.16 -0.06 0.00 -0.12 0.00 0.00 64.86 64.07 3hif h ILE 112 Cb 0.83 1.67 -0.01 0.00 -3.03 0.00 0.00 36.82 36.27 3hif h ILE 112 CO -0.38 0.30 -0.29 0.25 -0.68 0.00 0.00 178.15 177.36 3hif h LEU 113 N 0.00 0.00 0.87 1.44 5.85 -1.05 -2.57 115.31 119.84 3hif h LEU 113 Ca -0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3hif h LEU 113 Cb 0.64 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.68 3hif h LEU 113 CO 0.04 0.29 -0.42 0.24 -0.34 0.00 0.00 178.44 178.25 3hif h MET 114 N 0.00 -1.12 -0.02 1.25 2.86 -0.49 -0.99 114.93 116.42 3hif h MET 114 Ca -0.00 0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3hif h MET 114 Cb 0.71 0.26 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 3hif h MET 114 CO 0.04 -0.75 0.03 0.00 1.06 0.00 0.00 176.91 177.29 3hif h ARG 115 N -1.17 0.00 0.11 1.72 3.08 -1.40 0.90 114.38 117.62 3hif h ARG 115 Ca -0.12 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.63 3hif h ARG 115 Cb 0.89 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.97 3hif h ARG 115 CO 0.20 0.00 -1.23 1.25 -1.07 0.00 0.00 179.97 179.11 3hif h LEU 116 N 0.00 0.88 -0.25 3.04 6.46 -1.36 -2.82 115.31 121.25 3hif h LEU 116 Ca 0.01 -0.80 -0.17 0.00 -0.12 0.00 0.00 57.88 56.80 3hif h LEU 116 Cb 0.06 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.72 3hif h LEU 116 CO -0.00 1.60 -0.50 0.28 -0.62 0.00 0.00 178.44 179.20 3hif h SER 117 N 0.29 0.87 -0.24 1.25 0.02 0.55 -2.79 113.55 113.49 3hif h SER 117 Ca -0.18 -0.55 0.06 0.00 -0.84 0.00 0.00 61.79 60.28 3hif h SER 117 Cb 1.90 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 64.12 3hif h SER 117 CO 0.24 1.26 -0.28 0.00 -1.14 0.00 0.00 176.83 176.91 3hif h ALA 118 N 0.64 -0.20 -0.92 3.77 0.00 0.63 0.11 119.26 123.29 3hif h ALA 118 Ca 0.01 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3hif h ALA 118 Cb 1.11 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 3hif h ALA 118 CO 0.11 -0.71 0.58 0.37 0.00 0.00 0.00 179.25 179.61 3hif h GLN 119 N -0.29 1.02 -0.64 0.00 4.15 -1.48 -0.97 115.11 116.90 3hif h GLN 119 Ca 0.13 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 3hif h GLN 119 Cb 0.50 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 3hif h GLN 119 CO -0.40 0.67 0.12 0.52 -1.93 0.00 0.00 178.83 177.80 3hif h MET 120 N 1.05 1.04 -0.20 1.69 2.86 -1.04 -2.73 114.93 117.59 3hif h MET 120 Ca 0.41 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3hif h MET 120 Cb 0.19 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3hif h MET 120 CO -0.18 0.94 0.13 0.00 1.06 0.00 0.00 176.91 178.86 3hif h ALA 121 N 1.14 0.26 -0.53 6.32 0.00 0.47 -2.43 119.26 124.50 3hif h ALA 121 Ca 0.20 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3hif h ALA 121 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3hif h ALA 121 CO 0.01 -0.25 0.35 0.00 0.00 0.00 0.00 179.25 179.36 3hif h ARG 122 N 0.26 0.44 0.00 0.00 3.08 -1.16 -0.14 114.38 116.87 3hif h ARG 122 Ca 0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3hif h ARG 122 Cb -0.01 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3hif h ARG 122 CO -0.02 0.29 -0.15 -0.09 -1.07 0.00 0.00 179.97 178.94 3hif h ARG 123 N 0.46 0.00 -0.06 0.04 2.43 -1.14 -2.83 114.38 113.27 3hif h ARG 123 Ca 0.23 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 3hif h ARG 123 Cb 0.32 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3hif h ARG 123 CO -0.06 0.15 -0.53 -0.07 -1.51 0.00 0.00 179.97 177.95 3hif h LEU 124 N 0.00 0.57 -0.60 3.80 3.38 -0.64 -3.11 115.31 118.71 3hif h LEU 124 Ca -0.00 -0.69 0.12 0.00 0.09 0.00 0.00 57.88 57.40 3hif h LEU 124 Cb 0.80 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 3hif h LEU 124 CO 0.02 1.17 -0.13 -0.61 0.09 0.00 0.00 178.44 178.98 3hif h GLN 125 N 0.01 0.01 -0.49 1.13 5.75 -1.17 -0.84 115.11 119.52 3hif h GLN 125 Ca -0.05 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3hif h GLN 125 Cb 1.20 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 3hif h GLN 125 CO 0.11 0.01 0.16 0.28 -2.65 0.00 0.00 178.83 176.73 3hif h VAL 126 N 0.01 1.19 -0.07 2.39 2.07 -1.57 -3.10 116.25 117.17 3hif h VAL 126 Ca 0.29 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3hif h VAL 126 Cb 0.45 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3hif h VAL 126 CO -0.61 0.25 -0.08 0.74 0.02 0.00 0.00 177.57 177.89 3hif h THR 127 N 0.70 1.37 -0.03 2.57 2.02 -1.11 -3.24 112.91 115.19 3hif h THR 127 Ca 0.16 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 3hif h THR 127 Cb 0.20 2.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3hif h THR 127 CO -0.01 0.35 -0.05 0.28 0.37 0.00 0.00 175.52 176.46 3hif h SER 128 N -0.26 0.04 0.00 4.18 0.02 -1.27 -2.60 113.55 113.67 3hif h SER 128 Ca 0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3hif h SER 128 Cb 0.59 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3hif h SER 128 CO 0.02 0.10 0.00 -0.62 -1.14 0.00 0.00 176.83 175.19 3hif n GLU 129 N -4.45 0.67 -4.98 3.45 1.02 -1.18 -5.14 120.64 110.04 3hif n GLU 129 Ca -0.02 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 3hif n GLU 129 Cb 0.15 -1.28 -0.14 0.00 -0.02 0.00 0.00 31.44 30.14 3hif n GLU 129 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3hif s LYS 130 N -0.61 2.26 0.56 3.49 1.02 -0.98 -5.09 119.74 120.38 3hif s LYS 130 Ca 0.00 -0.85 0.06 0.00 0.02 0.00 0.00 55.97 55.20 3hif s LYS 130 Cb 0.00 -2.21 0.05 0.00 -0.52 0.00 0.00 37.83 35.15 3hif s LYS 130 CO 0.00 0.58 0.48 0.54 -0.92 0.00 0.00 175.35 176.03 3hif s ASN 133 N -0.86 4.70 0.14 2.83 4.22 -1.26 -5.12 114.94 119.59 3hif s ASN 133 Ca 0.12 -1.20 -0.18 0.00 -2.14 0.00 0.00 52.86 49.45 3hif s ASN 133 Cb -0.10 0.47 0.03 0.00 1.28 0.00 0.00 41.25 42.92 3hif s ASN 133 CO 0.01 -1.19 1.71 -0.07 -2.04 0.00 0.00 177.10 175.52 3hif h LEU 134 N 0.62 -0.14 -1.23 3.54 3.38 -2.05 -1.03 115.31 118.40 3hif h LEU 134 Ca -0.35 0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.76 3hif h LEU 134 Cb 1.30 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 3hif h LEU 134 CO 0.54 -0.04 0.55 0.00 0.09 0.00 0.00 178.44 179.59 3hif h ALA 135 N 1.25 1.61 -0.30 1.53 0.00 -2.06 -0.51 119.26 120.77 3hif h ALA 135 Ca 0.14 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3hif h ALA 135 Cb 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hif h ALA 135 CO -0.24 0.25 -0.45 0.35 0.00 0.00 0.00 179.25 179.16 3hif h PHE 136 N 0.91 1.04 0.00 0.00 3.57 -1.79 -2.73 116.94 117.94 3hif h PHE 136 Ca 0.37 -0.35 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3hif h PHE 136 Cb 0.28 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3hif h PHE 136 CO -0.00 1.16 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.97 3hif h LEU 137 N 0.62 0.00 -0.00 0.59 3.38 -0.56 -1.69 115.31 117.65 3hif h LEU 137 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hif h LEU 137 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3hif h LEU 137 CO 0.10 0.21 -0.00 -0.78 0.09 0.00 0.00 178.44 178.06 3hif h ASP 138 N 0.00 0.01 -0.57 -0.43 -0.00 -0.96 -2.58 116.42 111.89 3hif h ASP 138 Ca -0.00 -0.48 -0.03 0.00 -0.00 0.00 0.00 57.03 56.52 3hif h ASP 138 Cb 0.63 -0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.93 3hif h ASP 138 CO 0.03 0.49 0.25 0.58 -0.00 0.00 0.00 179.24 180.58 3hif h VAL 139 N -0.47 1.21 -0.34 2.25 2.07 -1.32 -1.98 116.25 117.68 3hif h VAL 139 Ca 0.00 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3hif h VAL 139 Cb 0.48 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3hif h VAL 139 CO 0.00 0.26 0.07 0.74 0.02 0.00 0.00 177.57 178.67 3hif h THR 140 N 0.87 1.17 -0.17 2.57 2.02 -1.30 -1.00 112.91 117.06 3hif h THR 140 Ca 0.21 -0.59 -0.18 0.00 0.77 0.00 0.00 66.41 66.62 3hif h THR 140 Cb 0.16 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3hif h THR 140 CO -0.02 0.21 -0.62 1.23 0.37 0.00 0.00 175.52 176.69 3hif h GLY 141 N 0.73 0.66 1.03 2.16 0.00 -0.95 -2.66 103.07 104.04 3hif h GLY 141 Ca 0.12 -0.82 -0.15 0.00 0.00 0.00 0.00 47.33 46.47 3hif h GLY 141 CO -0.00 0.73 -0.44 3.21 0.00 0.00 0.00 176.54 180.04 3hif h ARG 142 N 0.44 0.75 -0.51 4.80 3.08 -1.01 -2.46 114.38 119.46 3hif h ARG 142 Ca -0.01 -0.47 -0.04 0.00 0.07 0.00 0.00 59.98 59.53 3hif h ARG 142 Cb 1.19 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 3hif h ARG 142 CO 0.12 1.09 0.15 0.82 -1.07 0.00 0.00 179.97 181.08 3hif h ILE 143 N 0.49 1.23 -0.40 2.04 2.04 -1.23 -1.27 117.51 120.41 3hif h ILE 143 Ca 0.02 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 3hif h ILE 143 Cb 1.05 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3hif h ILE 143 CO 0.10 0.29 0.07 0.00 0.00 0.00 0.00 178.15 178.61 3hif h ALA 144 N 1.01 1.36 -0.53 1.87 0.00 -1.52 -2.23 119.26 119.23 3hif h ALA 144 Ca 0.16 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hif h ALA 144 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hif h ALA 144 CO -0.00 0.45 0.03 0.37 0.00 0.00 0.00 179.25 180.10 3hif h GLN 145 N 0.59 0.91 -0.64 0.00 4.15 -0.91 0.11 115.11 119.32 3hif h GLN 145 Ca 0.13 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 3hif h GLN 145 Cb 0.27 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 3hif h GLN 145 CO 0.00 0.92 0.28 1.15 -1.93 0.00 0.00 178.83 179.25 3hif h THR 146 N 0.79 1.23 -0.23 2.39 2.02 -0.96 -0.91 112.91 117.24 3hif h THR 146 Ca 0.15 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 3hif h THR 146 Cb 0.49 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3hif h THR 146 CO 0.02 0.27 -0.25 -0.07 0.37 0.00 0.00 175.52 175.86 3hif h LEU 147 N 0.89 0.43 -0.08 2.58 3.38 -1.21 -2.44 115.31 118.86 3hif h LEU 147 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hif h LEU 147 Cb 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hif h LEU 147 CO -0.02 0.69 -0.00 0.25 0.09 0.00 0.00 178.44 179.44 3hif h LEU 148 N 0.38 0.15 -0.75 1.67 6.46 -0.24 -2.95 115.31 120.03 3hif h LEU 148 Ca 0.06 -0.31 -0.12 0.00 -0.12 0.00 0.00 57.88 57.38 3hif h LEU 148 Cb 0.65 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 3hif h LEU 148 CO 0.05 0.42 -0.40 0.78 -0.62 0.00 0.00 178.44 178.67 3hif h ASN 149 N -0.13 0.50 -0.35 1.25 -0.26 -1.16 -3.18 115.58 112.24 3hif h ASN 149 Ca 0.02 -0.22 -0.11 0.00 -0.56 0.00 0.00 56.30 55.44 3hif h ASN 149 Cb 0.35 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 3hif h ASN 149 CO 0.00 0.85 -0.17 -0.07 -1.06 0.00 0.00 177.43 176.98 3hif h LEU 150 N 0.39 0.82 -2.40 1.61 3.38 -1.46 -2.44 115.31 115.21 3hif h LEU 150 Ca 0.04 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hif h LEU 150 Cb 0.88 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hif h LEU 150 CO 0.07 0.98 0.00 0.00 0.09 0.00 0.00 178.44 179.59 3hif h ALA 151 N 1.09 1.00 -0.02 1.53 0.00 -1.50 0.14 119.26 121.49 3hif h ALA 151 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hif h ALA 151 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3hif h ALA 151 CO 0.05 0.00 -0.00 1.63 0.00 0.00 0.00 179.25 180.93 3hif n LYS 152 N -2.98 1.87 -2.63 0.00 5.02 -0.92 -4.86 118.16 113.65 3hif n LYS 152 Ca -0.02 -1.26 -0.34 0.00 -2.02 0.00 0.00 58.31 54.67 3hif n LYS 152 Cb 0.13 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.00 3.95 0.61 1.97 -1.52 0.47 -4.94 119.66 118.19 3hif s GLN 153 Ca 0.35 1.29 0.37 0.00 -1.95 0.00 0.00 55.36 55.42 3hif s GLN 153 Cb 0.21 -2.14 1.98 0.00 -0.22 0.00 0.00 33.01 32.84 3hif s GLN 153 CO 0.33 -0.30 2.24 -1.35 -0.25 0.00 0.00 175.29 175.96 3hif h PRO 154 N 1.71 0.00 -0.97 2.91 0.11 -1.92 -2.50 132.00 131.34 3hif h PRO 154 Ca -0.49 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.18 3hif h PRO 154 Cb 1.21 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.06 3hif h PRO 154 CO 0.60 0.02 0.56 -0.40 -0.21 0.00 0.00 178.00 178.57 3hif n ASP 155 N -3.33 3.81 -4.90 -2.05 5.68 -1.26 -4.95 116.55 109.56 3hif n ASP 155 Ca -0.02 -3.42 -0.30 0.00 -0.50 0.00 0.00 54.79 50.55 3hif n ASP 155 Cb 0.14 -0.80 -0.04 0.00 -1.14 0.00 0.00 41.12 39.28 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 -2.98 3.64 0.09 2.12 0.00 -0.94 -4.79 121.76 118.90 3hif s ALA 156 Ca 0.52 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.91 3hif s ALA 156 Cb 0.43 -2.30 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 3hif s ALA 156 CO 0.10 0.40 0.39 -1.64 0.00 0.00 0.00 175.76 175.01 3hif s MET 157 N -3.18 3.71 -0.28 0.00 -1.94 0.21 -4.90 119.30 112.92 3hif s MET 157 Ca 0.44 0.10 -0.27 0.00 -1.71 0.00 0.00 55.69 54.25 3hif s MET 157 Cb -0.11 -2.96 0.01 0.00 2.01 0.00 0.00 34.83 33.77 3hif s MET 157 CO 0.26 0.54 0.96 0.99 -0.01 0.00 0.00 175.02 177.77 3hif s THR 158 N -1.46 4.68 -0.02 2.05 2.01 -1.26 -0.88 115.64 120.76 3hif s THR 158 Ca 0.35 1.68 0.07 0.00 0.31 0.00 0.00 61.69 64.10 3hif s THR 158 Cb -0.13 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 3hif s THR 158 CO 0.19 -0.27 -0.24 -2.28 -0.69 0.00 0.00 174.62 171.34 3hif s HIS 159 N 3.23 2.13 0.47 4.92 5.04 -0.10 -4.90 115.29 126.08 3hif s HIS 159 Ca 0.40 -0.42 0.32 0.00 -1.54 0.00 0.00 55.06 53.82 3hif s HIS 159 Cb -0.14 -1.37 1.42 0.00 0.04 0.00 0.00 32.58 32.53 3hif s HIS 159 CO 0.11 -0.05 1.70 -1.35 -2.34 0.00 0.00 174.74 172.81 3hif h PRO 160 N 5.59 0.13 0.00 2.88 0.11 -2.00 0.98 132.00 139.68 3hif h PRO 160 Ca -0.41 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.55 3hif h PRO 160 Cb 1.13 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3hif h PRO 160 CO 0.47 0.08 -1.62 -0.25 -0.21 0.00 0.00 178.00 176.47 3hif n ASP 161 N -4.43 0.57 0.00 -2.05 10.43 -1.26 -5.07 116.55 114.74 3hif n ASP 161 Ca 0.32 0.24 0.00 0.00 2.57 0.00 0.00 54.79 57.92 3hif n ASP 161 Cb 1.32 0.66 0.00 0.00 1.84 0.00 0.00 41.12 44.94 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 1.40 -0.38 3.42 0.44 0.00 0.34 -2.16 105.19 108.24 3hif n GLY 162 Ca -0.11 0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 2.19 -0.16 1.61 -1.94 0.71 -0.92 119.30 120.79 3hif s MET 163 Ca 0.00 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.10 3hif s MET 163 Cb 0.00 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.65 3hif s MET 163 CO 0.00 0.57 -0.16 -1.14 -0.01 0.00 0.00 175.02 174.28 3hif s GLN 164 N -1.00 3.18 0.45 2.03 0.74 -0.06 0.35 119.66 125.35 3hif s GLN 164 Ca 0.12 -0.77 0.07 0.00 0.05 0.00 0.00 55.36 54.83 3hif s GLN 164 Cb -0.10 -2.60 -0.03 0.00 1.10 0.00 0.00 33.01 31.38 3hif s GLN 164 CO 0.02 -0.01 0.25 0.96 -0.55 0.00 0.00 175.29 175.96 3hif s ILE 165 N 0.86 2.15 -0.22 -2.34 -0.00 0.40 0.67 121.20 122.71 3hif s ILE 165 Ca -0.05 -1.62 0.02 0.00 -0.00 0.00 0.00 60.65 59.00 3hif s ILE 165 Cb -0.15 -2.77 0.04 0.00 -0.00 0.00 0.00 42.46 39.59 3hif s ILE 165 CO -0.01 0.00 -0.14 -0.75 -0.00 0.00 0.00 174.94 174.04 3hif s LYS 166 N -4.02 2.49 -0.22 0.37 2.47 -1.26 -1.71 119.74 117.86 3hif s LYS 166 Ca 0.38 -1.07 -0.27 0.00 -1.56 0.00 0.00 55.97 53.45 3hif s LYS 166 Cb 0.01 -2.69 0.12 0.00 -1.46 0.00 0.00 37.83 33.81 3hif s LYS 166 CO 0.22 -0.41 0.99 -1.50 0.16 0.00 0.00 175.35 174.81 3hif s ILE 167 N 1.22 0.00 0.69 5.43 2.07 -0.38 -5.03 121.20 125.21 3hif s ILE 167 Ca -0.02 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.17 3hif s ILE 167 Cb -0.17 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.50 3hif s ILE 167 CO -0.09 0.00 0.98 0.42 -1.91 0.00 0.00 174.94 174.34 3hif s THR 168 N -0.37 2.32 0.15 4.00 -4.23 -1.26 -4.51 115.64 111.73 3hif s THR 168 Ca 0.00 -0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 60.03 3hif s THR 168 Cb -0.03 -2.90 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 3hif s THR 168 CO -0.02 0.00 1.41 0.03 -0.54 0.00 0.00 174.62 175.50 3hif h ARG 169 N -0.51 0.63 0.00 3.99 3.08 -1.96 -3.18 114.38 116.43 3hif h ARG 169 Ca -0.42 -0.46 -0.17 0.00 0.07 0.00 0.00 59.98 59.00 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 0.52 1.08 -0.79 -0.56 -1.07 0.00 0.00 179.97 179.15 3hif h GLN 170 N 0.45 0.00 -0.71 0.04 -0.00 -1.95 -2.95 115.11 109.99 3hif h GLN 170 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.59 3hif h GLN 170 Cb 1.26 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.71 3hif h GLN 170 CO 0.13 0.79 0.28 0.93 -0.00 0.00 0.00 178.83 180.96 3hif h GLU 171 N 0.00 1.06 -0.65 0.06 5.08 -1.96 -1.34 114.58 116.83 3hif h GLU 171 Ca -0.01 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3hif h GLU 171 Cb 1.41 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3hif h GLU 171 CO 0.10 0.88 0.14 0.82 -1.00 0.00 0.00 179.01 179.95 3hif h ILE 172 N 1.01 1.26 -0.92 3.13 2.04 -1.53 -2.50 117.51 120.00 3hif h ILE 172 Ca 0.24 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3hif h ILE 172 Cb 0.21 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3hif h ILE 172 CO -0.02 0.37 0.54 1.23 0.00 0.00 0.00 178.15 180.27 3hif h GLY 173 N 0.98 1.34 0.97 5.37 0.00 -1.28 -1.18 103.07 109.27 3hif h GLY 173 Ca 0.20 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3hif h GLY 173 CO 0.01 0.55 -0.02 -1.61 0.00 0.00 0.00 176.54 175.47 3hif h GLN 174 N 1.27 0.76 -0.21 4.80 4.15 -1.07 0.55 115.11 125.36 3hif h GLN 174 Ca 0.33 -0.25 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3hif h GLN 174 Cb -0.04 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3hif h GLN 174 CO -0.06 0.85 0.04 0.82 -1.93 0.00 0.00 178.83 178.55 3hif h ILE 175 N 0.60 1.22 0.08 2.39 5.03 -1.21 -3.27 117.51 122.34 3hif h ILE 175 Ca 0.12 -0.71 -0.28 0.00 -0.12 0.00 0.00 64.86 63.87 3hif h ILE 175 Cb 0.52 1.28 0.03 0.00 -3.03 0.00 0.00 36.82 35.62 3hif h ILE 175 CO 0.03 0.22 -1.14 0.58 -0.68 0.00 0.00 178.15 177.16 3hif h VAL 176 N 0.15 1.29 0.00 1.67 2.07 -1.20 -3.49 116.25 116.75 3hif h VAL 176 Ca 0.07 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3hif h VAL 176 Cb 0.30 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 3hif h VAL 176 CO 0.00 0.72 0.00 0.61 0.02 0.00 0.00 177.57 178.93 3hif n GLY 177 N 1.28 0.80 3.22 2.17 0.00 0.18 -5.09 105.19 107.74 3hif n GLY 177 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.16 3.12 0.40 0.00 1.04 -1.26 -4.42 113.70 109.41 3hif s SER 179 Ca 0.32 1.42 0.17 0.00 0.48 0.00 0.00 55.95 58.34 3hif s SER 179 Cb 0.07 -2.10 0.84 0.00 0.10 0.00 0.00 66.02 64.94 3hif s SER 179 CO 0.08 -2.85 1.85 -0.09 0.98 0.00 0.00 173.24 173.20 3hif h ARG 180 N -1.70 0.00 -0.03 4.02 2.43 -1.94 -2.93 114.38 114.24 3hif h ARG 180 Ca -0.51 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.42 3hif h ARG 180 Cb 1.30 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.86 3hif h ARG 180 CO 0.55 0.33 -0.93 0.93 -1.51 0.00 0.00 179.97 179.34 3hif h GLU 181 N 0.00 0.54 -0.81 0.20 3.07 -1.95 -2.85 114.58 112.78 3hif h GLU 181 Ca -0.00 -0.55 -0.01 0.00 -0.50 0.00 0.00 59.36 58.29 3hif h GLU 181 Cb 0.66 0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.68 3hif h GLU 181 CO 0.04 1.18 0.46 1.15 -1.40 0.00 0.00 179.01 180.44 3hif h THR 182 N 0.32 1.23 -0.55 1.13 2.02 -1.88 -1.56 112.91 113.63 3hif h THR 182 Ca -0.09 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 3hif h THR 182 Cb 1.57 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3hif h THR 182 CO 0.17 0.26 0.23 0.58 0.37 0.00 0.00 175.52 177.13 3hif h VAL 183 N 1.13 1.22 -0.21 3.16 2.07 -1.52 -2.40 116.25 119.70 3hif h VAL 183 Ca 0.29 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3hif h VAL 183 Cb 0.01 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3hif h VAL 183 CO -0.05 0.26 0.05 1.23 0.02 0.00 0.00 177.57 179.08 3hif h GLY 184 N 0.75 0.24 1.12 2.17 0.00 -1.11 0.16 103.07 106.40 3hif h GLY 184 Ca 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 3hif h GLY 184 CO -0.02 0.01 0.20 -0.09 0.00 0.00 0.00 176.54 176.64 3hif h ARG 185 N 0.14 1.10 -0.03 4.80 2.43 -1.25 -2.27 114.38 119.30 3hif h ARG 185 Ca 0.09 -0.24 -0.17 0.00 -0.81 0.00 0.00 59.98 58.85 3hif h ARG 185 Cb 0.08 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3hif h ARG 185 CO -0.12 0.95 -0.73 0.82 -1.51 0.00 0.00 179.97 179.38 3hif h ILE 186 N 1.05 1.44 -0.28 1.20 2.04 -1.18 -2.64 117.51 119.14 3hif h ILE 186 Ca 0.22 -2.30 -0.10 0.00 1.00 0.00 0.00 64.86 63.68 3hif h ILE 186 Cb 0.33 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3hif h ILE 186 CO -0.00 0.67 -0.26 -0.07 0.00 0.00 0.00 178.15 178.49 3hif h LEU 187 N 0.13 0.55 0.03 1.44 4.07 -0.81 -1.86 115.31 118.86 3hif h LEU 187 Ca -0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 57.74 3hif h LEU 187 Cb 1.30 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.89 3hif h LEU 187 CO 0.11 0.80 -0.01 0.50 -1.08 0.00 0.00 178.44 178.76 3hif h LYS 188 N 0.48 -0.03 0.14 1.13 3.64 -1.26 -2.26 116.57 118.40 3hif h LYS 188 Ca 0.07 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3hif h LYS 188 Cb 0.71 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 3hif h LYS 188 CO 0.05 0.02 -0.16 1.98 -2.27 0.00 0.00 179.45 179.07 3hif h MET 189 N -0.08 -0.32 0.00 1.90 4.05 -1.32 -1.12 114.93 118.04 3hif h MET 189 Ca -0.00 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 3hif h MET 189 Cb 0.07 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3hif h MET 189 CO 0.01 -0.21 -0.12 -0.07 0.23 0.00 0.00 176.91 176.74 3hif h LEU 190 N -0.33 0.00 -0.19 3.39 3.38 -1.34 -0.44 115.31 119.77 3hif h LEU 190 Ca 0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 3hif h LEU 190 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hif h LEU 190 CO -0.05 0.12 -0.94 -0.08 0.09 0.00 0.00 178.44 177.58 3hif h GLU 191 N 0.00 0.17 0.00 1.13 4.81 -1.04 -2.13 114.58 117.52 3hif h GLU 191 Ca -0.00 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 3hif h GLU 191 Cb 0.24 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3hif h GLU 191 CO 0.02 0.99 -0.36 -0.44 -0.73 0.00 0.00 179.01 178.49 3hif h ASP 192 N 0.09 0.00 0.09 1.04 3.32 -0.03 -2.54 116.42 118.39 3hif h ASP 192 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hif h ASP 192 Cb 1.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.15 3hif h ASP 192 CO 0.14 0.36 -0.02 0.00 -1.72 0.00 0.00 179.24 178.00 3hif n GLN 193 N -3.56 1.06 -3.28 3.56 1.13 -0.29 -4.92 117.38 111.09 3hif n GLN 193 Ca -0.00 -0.25 -0.19 0.00 -1.94 0.00 0.00 57.00 54.61 3hif n GLN 193 Cb 0.49 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.40 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 -0.75 -5.52 -0.08 1.08 3.02 -0.96 -4.81 115.26 107.24 3hif n ASN 194 Ca 0.21 -0.39 -0.09 0.00 -0.03 0.00 0.00 54.58 54.28 3hif n ASN 194 Cb 0.20 -4.18 -0.11 0.00 -0.61 0.00 0.00 39.78 35.08 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 -3.99 0.85 -4.16 3.41 4.77 -0.81 -4.89 117.00 112.19 3hif n LEU 195 Ca -0.01 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 3hif n LEU 195 Cb 0.56 0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 3hif n LEU 195 CO 0.50 0.49 -0.09 0.27 -1.33 0.00 0.00 177.39 177.23 3hif s ILE 196 N -2.36 0.00 -0.03 -0.08 -4.36 -1.19 -1.86 121.20 111.33 3hif s ILE 196 Ca -0.12 -1.83 -0.00 0.00 -0.26 0.00 0.00 60.65 58.43 3hif s ILE 196 Cb 0.05 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 41.34 3hif s ILE 196 CO 0.55 0.00 0.05 -0.94 0.24 0.00 0.00 174.94 174.84 3hif s SER 197 N -3.17 0.04 -0.10 4.36 1.04 -0.98 -4.21 113.70 110.67 3hif s SER 197 Ca 0.35 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.87 3hif s SER 197 Cb 0.04 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 3hif s SER 197 CO 0.15 -0.13 -0.16 0.00 0.98 0.00 0.00 173.24 174.08 3hif s ALA 198 N 1.05 2.54 -0.38 5.32 0.00 -1.26 -1.85 121.76 127.19 3hif s ALA 198 Ca -0.09 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 50.98 3hif s ALA 198 Cb -0.12 -1.06 0.16 0.00 0.00 0.00 0.00 23.12 22.10 3hif s ALA 198 CO -0.03 0.34 0.43 -1.58 0.00 0.00 0.00 175.76 174.92 3hif s HIS 199 N 0.04 -0.61 0.00 0.00 2.46 -0.32 -5.04 115.29 111.81 3hif s HIS 199 Ca -0.06 -0.57 0.00 0.00 0.47 0.00 0.00 55.06 54.90 3hif s HIS 199 Cb -0.15 -0.25 0.00 0.00 -0.13 0.00 0.00 32.58 32.05 3hif s HIS 199 CO 0.05 -1.01 0.00 0.41 -2.47 0.00 0.00 174.74 171.71 3hif n GLY 200 N 4.31 2.30 0.19 1.59 0.00 -1.26 -2.41 105.19 109.91 3hif n GLY 200 Ca 0.11 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.88 3hif n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hif n LYS 201 N 12.53 0.68 -3.28 1.61 4.01 -1.26 -4.83 118.16 127.62 3hif n LYS 201 Ca 0.00 -0.38 -0.39 0.00 -0.51 0.00 0.00 58.31 57.03 3hif n LYS 201 Cb 0.00 -1.49 -0.07 0.00 -0.51 0.00 0.00 35.03 32.96 3hif n LYS 201 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3hif s THR 202 N -2.58 5.13 -0.08 -0.18 2.01 -1.01 -1.24 115.64 117.68 3hif s THR 202 Ca 0.23 0.91 0.01 0.00 0.31 0.00 0.00 61.69 63.15 3hif s THR 202 Cb 0.19 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.90 3hif s THR 202 CO 0.54 0.20 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.96 3hif s ILE 203 N 1.49 0.98 -0.20 1.82 -1.09 -0.69 -1.18 121.20 122.33 3hif s ILE 203 Ca 0.23 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.27 3hif s ILE 203 Cb -0.15 -0.95 -0.02 0.00 -1.58 0.00 0.00 42.46 39.76 3hif s ILE 203 CO 0.09 0.34 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.44 3hif s VAL 204 N 1.10 3.92 -0.33 2.92 1.01 -0.77 0.15 120.40 128.41 3hif s VAL 204 Ca -0.07 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 3hif s VAL 204 Cb -0.14 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3hif s VAL 204 CO -0.01 0.43 0.43 -0.69 0.00 0.00 0.00 175.10 175.27 3hif s VAL 205 N 0.95 5.10 0.63 2.92 1.01 1.07 -2.33 120.40 129.76 3hif s VAL 205 Ca 0.01 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 3hif s VAL 205 Cb -0.14 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3hif s VAL 205 CO 0.02 -0.08 1.12 -0.31 0.00 0.00 0.00 175.10 175.84 3hif s TYR 206 N 2.19 2.63 0.00 5.22 4.12 -0.78 -0.21 117.35 130.53 3hif s TYR 206 Ca 0.16 1.55 0.00 0.00 0.02 0.00 0.00 57.07 58.79 3hif s TYR 206 Cb -0.16 -3.20 0.00 0.00 -1.52 0.00 0.00 41.96 37.08 3hif s TYR 206 CO 0.12 -1.66 0.00 0.41 0.02 0.00 0.00 175.55 174.44