#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 1.25 0.03 3.42 3.68 -1.26 -5.07 116.67 118.73 3hif s ASP 8 Ca 0.00 -0.31 -0.10 0.00 2.13 0.00 0.00 52.55 54.27 3hif s ASP 8 Cb 0.00 0.57 -0.04 0.00 -1.45 0.00 0.00 42.92 42.00 3hif s ASP 8 CO 0.00 -0.34 1.16 1.55 0.13 0.00 0.00 175.17 177.67 3hif h PRO 9 N 8.27 -0.17 0.00 4.34 0.13 -2.05 -1.00 132.00 141.52 3hif h PRO 9 Ca -0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3hif h PRO 9 Cb 1.13 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hif h PRO 9 CO 0.30 -0.11 0.08 1.15 -0.23 0.00 0.00 178.00 179.19 3hif h THR 10 N -0.18 0.00 0.00 1.56 2.02 -1.99 -1.54 112.91 112.78 3hif h THR 10 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3hif h THR 10 Cb 0.20 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3hif h THR 10 CO -0.12 0.00 -0.14 0.25 0.37 0.00 0.00 175.52 175.88 3hif h LEU 11 N 0.00 0.00 -0.36 2.58 6.46 -1.86 -3.12 115.31 119.01 3hif h LEU 11 Ca 0.00 -0.35 0.07 0.00 -0.12 0.00 0.00 57.88 57.48 3hif h LEU 11 Cb 0.16 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.02 3hif h LEU 11 CO 0.00 0.75 -0.12 -0.33 -0.62 0.00 0.00 178.44 178.12 3hif h GLU 12 N -1.00 -0.04 -0.19 1.25 5.08 -0.77 0.45 114.58 119.36 3hif h GLU 12 Ca -0.02 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3hif h GLU 12 Cb 0.46 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 3hif h GLU 12 CO -0.01 -0.03 -0.52 2.35 -1.00 0.00 0.00 179.01 179.80 3hif h TRP 13 N -0.04 -1.57 -0.29 4.33 7.01 -1.46 0.30 115.95 124.23 3hif h TRP 13 Ca 0.18 0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.24 3hif h TRP 13 Cb 0.31 0.71 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 3hif h TRP 13 CO -0.35 -0.51 0.19 0.35 -2.79 0.00 0.00 178.44 175.32 3hif h PHE 14 N -0.52 0.36 0.00 2.65 3.04 -1.37 -2.33 116.94 118.77 3hif h PHE 14 Ca 0.04 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.87 3hif h PHE 14 Cb 0.63 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 3hif h PHE 14 CO -0.61 0.23 -0.60 -0.07 -2.02 0.00 0.00 178.31 175.24 3hif h LEU 15 N 0.39 0.00 -1.75 0.59 3.38 0.16 -2.52 115.31 115.56 3hif h LEU 15 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hif h LEU 15 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hif h LEU 15 CO -0.02 0.60 -0.04 0.77 0.09 0.00 0.00 178.44 179.84 3hif h SER 16 N 0.00 0.00 -0.95 -0.43 4.64 0.09 -2.68 113.55 114.22 3hif h SER 16 Ca -0.01 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3hif h SER 16 Cb 1.08 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.88 3hif h SER 16 CO 0.08 0.04 0.63 1.41 -0.87 0.00 0.00 176.83 178.12 3hif n HIS 17 N -3.18 2.97 -4.08 4.77 8.25 -0.95 -4.95 115.22 118.04 3hif n HIS 17 Ca -0.00 -2.14 -0.08 0.00 -0.26 0.00 0.00 57.72 55.24 3hif n HIS 17 Cb 0.27 -1.03 -0.10 0.00 1.12 0.00 0.00 29.99 30.25 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 -3.56 3.16 -0.25 0.00 3.76 -0.43 -4.83 115.29 113.15 3hif s HIS 19 Ca 0.04 -0.75 -0.25 0.00 -0.15 0.00 0.00 55.06 53.96 3hif s HIS 19 Cb 0.05 -3.30 -0.00 0.00 1.11 0.00 0.00 32.58 30.44 3hif s HIS 19 CO -0.08 -0.89 0.83 0.42 -0.85 0.00 0.00 174.74 174.17 3hif s ILE 20 N 2.06 4.83 0.28 0.60 1.01 -1.26 -2.45 121.20 126.27 3hif s ILE 20 Ca 0.09 1.54 0.12 0.00 0.00 0.00 0.00 60.65 62.39 3hif s ILE 20 Cb -0.22 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 3hif s ILE 20 CO 0.09 -0.10 -0.17 -1.00 0.00 0.00 0.00 174.94 173.77 3hif s HIS 21 N 2.87 2.35 -0.11 3.97 3.76 -0.50 -4.94 115.29 122.69 3hif s HIS 21 Ca 0.35 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.96 3hif s HIS 21 Cb -0.15 -1.04 -0.01 0.00 1.11 0.00 0.00 32.58 32.49 3hif s HIS 21 CO 0.08 0.70 -0.18 0.15 -0.85 0.00 0.00 174.74 174.63 3hif s LYS 22 N -3.54 3.14 -0.13 1.40 1.02 -1.26 -0.70 119.74 119.67 3hif s LYS 22 Ca 0.30 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.54 3hif s LYS 22 Cb -0.05 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 3hif s LYS 22 CO 0.16 0.24 -0.22 0.71 -0.92 0.00 0.00 175.35 175.31 3hif s TYR 23 N 0.25 2.65 0.62 3.18 2.02 0.10 -4.96 117.35 121.21 3hif s TYR 23 Ca -0.12 -1.24 -0.17 0.00 -0.37 0.00 0.00 57.07 55.17 3hif s TYR 23 Cb -0.16 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3hif s TYR 23 CO 0.07 -0.55 1.13 -1.25 -1.57 0.00 0.00 175.55 173.38 3hif s PRO 24 N 0.69 2.94 0.46 -1.71 0.04 -1.26 -1.41 135.00 134.74 3hif s PRO 24 Ca -0.10 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.24 3hif s PRO 24 Cb -0.16 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 3hif s PRO 24 CO 0.01 -1.17 0.96 -1.13 0.04 0.00 0.00 177.00 175.72 3hif n SER 25 N -2.02 0.99 0.00 6.66 3.41 -1.26 -2.02 113.62 119.38 3hif n SER 25 Ca 0.11 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 3hif n SER 25 Cb 0.51 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 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 -0.04 -0.01 -2.95 4.33 4.01 0.17 -4.97 118.16 118.70 3hif n LYS 26 Ca 0.10 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.55 3hif n LYS 26 Cb 0.41 -3.07 -0.06 0.00 -0.51 0.00 0.00 35.03 31.79 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 -2.70 7.07 -0.28 4.39 1.04 -0.85 -4.87 113.70 117.49 3hif s SER 27 Ca 0.00 1.58 -0.21 0.00 0.48 0.00 0.00 55.95 57.80 3hif s SER 27 Cb 0.00 -2.49 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 3hif s SER 27 CO 0.00 -0.12 0.64 -0.89 0.98 0.00 0.00 173.24 173.85 3hif s THR 28 N -1.77 4.95 -0.13 2.02 2.01 -1.26 -2.05 115.64 119.41 3hif s THR 28 Ca 0.51 1.03 -0.23 0.00 0.31 0.00 0.00 61.69 63.31 3hif s THR 28 Cb -0.14 -3.98 -0.20 0.00 0.01 0.00 0.00 72.50 68.18 3hif s THR 28 CO 0.20 -0.06 0.58 -0.07 -0.69 0.00 0.00 174.62 174.57 3hif h LEU 29 N 9.06 0.00 -8.20 4.42 4.07 -1.92 -3.46 115.31 119.29 3hif h LEU 29 Ca -0.26 -0.77 -0.62 0.00 0.08 0.00 0.00 57.88 56.31 3hif h LEU 29 Cb 1.12 0.00 -0.33 0.00 1.08 0.00 0.00 40.66 42.53 3hif h LEU 29 CO 0.79 0.91 -0.86 -0.63 -1.08 0.00 0.00 178.44 177.58 3hif s ILE 30 N -2.09 1.74 0.38 1.22 1.01 -1.23 -4.99 121.20 117.24 3hif s ILE 30 Ca -0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 3hif s ILE 30 Cb -0.02 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3hif s ILE 30 CO 0.54 0.49 0.60 -1.00 0.00 0.00 0.00 174.94 175.57 3hif s HIS 31 N 0.52 3.51 1.06 3.97 3.76 -1.26 -1.69 115.29 125.16 3hif s HIS 31 Ca -0.16 0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 55.08 3hif s HIS 31 Cb -0.17 -1.99 0.22 0.00 1.11 0.00 0.00 32.58 31.75 3hif s HIS 31 CO 0.06 0.02 1.07 -1.14 -0.85 0.00 0.00 174.74 173.91 3hif s GLN 32 N -4.42 -0.08 0.00 1.40 0.74 -1.26 -3.44 119.66 112.61 3hif s GLN 32 Ca 0.42 1.06 0.00 0.00 0.05 0.00 0.00 55.36 56.89 3hif s GLN 32 Cb -0.10 -1.63 0.00 0.00 1.10 0.00 0.00 33.01 32.38 3hif s GLN 32 CO 0.38 -3.23 0.00 0.41 -0.55 0.00 0.00 175.29 172.30 3hif n GLY 33 N 0.39 0.00 3.64 2.59 0.00 -1.22 -4.91 105.19 105.68 3hif n GLY 33 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3hif n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hif s GLU 34 N -1.27 0.62 0.20 1.61 2.02 -1.22 -4.53 118.70 116.13 3hif s GLU 34 Ca 0.00 1.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.78 3hif s GLU 34 Cb 0.00 -1.71 -0.08 0.00 0.10 0.00 0.00 34.13 32.43 3hif s GLU 34 CO 0.00 -2.75 1.17 0.15 0.02 0.00 0.00 175.26 173.84 3hif s LYS 35 N -4.70 4.53 -0.44 1.61 -0.14 -1.26 -3.56 119.74 115.77 3hif s LYS 35 Ca 0.66 1.84 -0.19 0.00 -1.36 0.00 0.00 55.97 56.92 3hif s LYS 35 Cb -0.21 -3.24 0.03 0.00 -1.68 0.00 0.00 37.83 32.72 3hif s LYS 35 CO 0.59 -0.02 0.56 0.00 -0.76 0.00 0.00 175.35 175.72 3hif s ALA 36 N -0.26 3.38 0.00 5.17 0.00 -1.00 -4.78 121.76 124.27 3hif s ALA 36 Ca 0.51 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3hif s ALA 36 Cb -0.32 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3hif s ALA 36 CO 0.37 -1.73 0.86 0.39 0.00 0.00 0.00 175.76 175.66 3hif n GLU 37 N 5.99 0.00 -3.64 0.00 4.71 -1.26 -4.64 120.64 121.80 3hif n GLU 37 Ca -0.04 -0.82 -0.10 0.00 -0.01 0.00 0.00 57.16 56.19 3hif n GLU 37 Cb 0.47 -0.45 -0.07 0.00 -1.01 0.00 0.00 31.44 30.39 3hif n GLU 37 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3hif s THR 38 N 0.00 0.00 -0.06 2.62 2.01 -1.26 0.12 115.64 119.07 3hif s THR 38 Ca 0.00 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 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 0.08 -0.11 -0.69 0.00 0.00 174.62 173.90 3hif n LEU 39 N 2.60 -2.84 -4.61 4.42 7.94 -1.17 -4.72 117.00 118.63 3hif n LEU 39 Ca -0.14 0.08 -0.28 0.00 -1.11 0.00 0.00 56.01 54.56 3hif n LEU 39 Cb 0.56 -1.34 -0.10 0.00 0.53 0.00 0.00 43.42 43.07 3hif n LEU 39 CO 0.02 -0.33 -0.26 -0.31 -1.11 0.00 0.00 177.39 175.40 3hif s TYR 40 N -1.23 2.13 -0.18 1.96 2.02 -1.24 -2.79 117.35 118.02 3hif s TYR 40 Ca 0.03 -0.88 -0.07 0.00 -0.37 0.00 0.00 57.07 55.78 3hif s TYR 40 Cb -0.01 -1.56 0.08 0.00 -0.40 0.00 0.00 41.96 40.07 3hif s TYR 40 CO 0.11 0.21 0.40 -0.47 -1.57 0.00 0.00 175.55 174.23 3hif s TYR 41 N -2.94 -0.71 -0.23 2.71 5.04 0.40 -2.18 117.35 119.44 3hif s TYR 41 Ca 0.26 1.40 -0.29 0.00 -2.44 0.00 0.00 57.07 56.00 3hif s TYR 41 Cb 0.06 0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.64 3hif s TYR 41 CO 0.13 -0.43 1.10 0.42 -1.34 0.00 0.00 175.55 175.43 3hif s ILE 42 N 2.29 4.55 0.04 3.14 1.01 -1.21 -1.09 121.20 129.93 3hif s ILE 42 Ca -0.03 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.47 3hif s ILE 42 Cb -0.11 -4.26 -0.26 0.00 0.01 0.00 0.00 42.46 37.84 3hif s ILE 42 CO -0.12 -0.23 1.01 0.58 0.00 0.00 0.00 174.94 176.17 3hif h VAL 43 N 5.53 1.34 -1.91 2.92 2.07 -0.93 -2.21 116.25 123.05 3hif h VAL 43 Ca -0.21 -3.00 -0.02 0.00 0.82 0.00 0.00 66.70 64.29 3hif h VAL 43 Cb 1.07 2.79 -0.21 0.00 -1.52 0.00 0.00 31.29 33.42 3hif h VAL 43 CO 0.99 0.84 0.23 -0.75 0.02 0.00 0.00 177.57 178.90 3hif s LYS 44 N -2.65 0.86 0.00 1.57 2.20 -1.12 -4.74 119.74 115.87 3hif s LYS 44 Ca -0.05 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 3hif s LYS 44 Cb 0.08 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 3hif s LYS 44 CO 0.85 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 176.06 3hif n GLY 45 N 1.80 -0.84 3.41 5.54 0.00 -1.26 -2.48 105.19 111.36 3hif n GLY 45 Ca -0.15 -2.01 -0.13 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 -0.56 0.26 1.61 1.04 -1.26 -2.58 113.70 108.21 3hif s SER 46 Ca 0.00 1.05 0.12 0.00 0.48 0.00 0.00 55.95 57.59 3hif s SER 46 Cb 0.00 1.03 -0.05 0.00 0.10 0.00 0.00 66.02 67.11 3hif s SER 46 CO 0.00 -0.18 -0.20 0.68 0.98 0.00 0.00 173.24 174.52 3hif s VAL 47 N 0.51 2.52 -0.02 5.02 -7.23 0.10 -1.30 120.40 120.00 3hif s VAL 47 Ca -0.02 -2.30 0.08 0.00 -1.81 0.00 0.00 61.98 57.93 3hif s VAL 47 Cb -0.04 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 3hif s VAL 47 CO -0.02 -0.34 -0.26 0.00 -0.31 0.00 0.00 175.10 174.17 3hif s ALA 48 N -2.32 2.18 -0.37 1.32 0.00 0.42 -0.76 121.76 122.24 3hif s ALA 48 Ca 0.28 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.99 3hif s ALA 48 Cb -0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 3hif s ALA 48 CO 0.14 0.53 0.25 0.08 0.00 0.00 0.00 175.76 176.77 3hif s VAL 49 N -0.62 5.17 0.06 0.00 1.01 -0.77 -2.10 120.40 123.15 3hif s VAL 49 Ca 0.10 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3hif s VAL 49 Cb -0.10 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3hif s VAL 49 CO -0.01 -0.13 0.05 -0.76 0.00 0.00 0.00 175.10 174.26 3hif s LEU 50 N 1.69 3.70 0.20 3.92 2.01 -1.17 0.17 118.68 129.20 3hif s LEU 50 Ca 0.05 -0.02 -0.03 0.00 0.01 0.00 0.00 54.13 54.14 3hif s LEU 50 Cb -0.18 -2.32 -0.03 0.00 0.01 0.00 0.00 46.19 43.66 3hif s LEU 50 CO 0.10 0.20 0.18 0.27 1.01 0.00 0.00 176.35 178.11 3hif s ILE 51 N -1.30 0.02 -0.15 -0.59 -5.25 -0.13 -3.41 121.20 110.38 3hif s ILE 51 Ca 0.26 -1.87 0.02 0.00 -0.99 0.00 0.00 60.65 58.07 3hif s ILE 51 Cb -0.12 -2.36 0.01 0.00 2.95 0.00 0.00 42.46 42.94 3hif s ILE 51 CO 0.18 -0.08 -0.20 -0.54 -1.79 0.00 0.00 174.94 172.52 3hif s LYS 52 N -4.11 2.84 0.00 0.37 1.02 -1.26 -1.16 119.74 117.43 3hif s LYS 52 Ca 0.33 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.54 3hif s LYS 52 Cb 0.06 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 3hif s LYS 52 CO 0.10 -0.10 0.00 -0.40 -0.92 0.00 0.00 175.35 174.02 3hif n ASP 53 N 4.32 0.00 -4.76 2.83 3.85 -1.25 -4.92 116.55 116.61 3hif n ASP 53 Ca -0.20 -0.76 -0.39 0.00 -0.71 0.00 0.00 54.79 52.74 3hif n ASP 53 Cb 0.51 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.29 3hif n ASP 53 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3hif s GLU 54 N -1.51 3.63 0.00 0.11 8.01 -1.26 -2.08 118.70 125.60 3hif s GLU 54 Ca 0.00 2.16 0.00 0.00 0.01 0.00 0.00 54.97 57.14 3hif s GLU 54 Cb 0.00 -2.53 0.00 0.00 -4.31 0.00 0.00 34.13 27.29 3hif s GLU 54 CO 0.00 -0.77 0.00 0.39 0.01 0.00 0.00 175.26 174.89 3hif n GLU 55 N -0.39 -0.00 -3.27 1.61 -0.58 -1.26 -4.62 120.64 112.13 3hif n GLU 55 Ca 0.07 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.71 3hif n GLU 55 Cb 0.44 -2.63 0.01 0.00 -0.57 0.00 0.00 31.44 28.70 3hif n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hif n GLY 56 N -2.20 -1.22 3.09 0.62 0.00 -0.88 -5.02 105.19 99.58 3hif n GLY 56 Ca 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 46.02 46.37 3hif n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hif s LYS 57 N -3.81 0.66 0.37 1.61 2.20 -1.26 -4.99 119.74 114.53 3hif s LYS 57 Ca 0.11 -0.76 -0.28 0.00 -0.36 0.00 0.00 55.97 54.68 3hif s LYS 57 Cb -0.03 -0.55 -0.11 0.00 -1.51 0.00 0.00 37.83 35.63 3hif s LYS 57 CO 0.78 0.12 1.50 0.39 -0.36 0.00 0.00 175.35 177.78 3hif n GLU 58 N 1.62 2.69 -3.65 4.03 1.02 -1.26 -3.92 120.64 121.17 3hif n GLU 58 Ca -0.21 0.94 -0.19 0.00 -0.02 0.00 0.00 57.16 57.69 3hif n GLU 58 Cb 0.55 -2.68 -0.16 0.00 -0.02 0.00 0.00 31.44 29.13 3hif n GLU 58 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3hif s MET 59 N -2.02 0.01 -0.32 3.49 1.75 -0.31 -4.95 119.30 116.96 3hif s MET 59 Ca 0.54 0.41 -0.27 0.00 -1.25 0.00 0.00 55.69 55.12 3hif s MET 59 Cb -0.48 -0.60 0.01 0.00 2.84 0.00 0.00 34.83 36.61 3hif s MET 59 CO 0.63 -0.38 0.96 0.42 -0.65 0.00 0.00 175.02 176.00 3hif s ILE 60 N 2.24 4.61 -0.11 10.11 1.01 -1.26 -0.96 121.20 136.84 3hif s ILE 60 Ca 0.04 1.49 0.16 0.00 0.00 0.00 0.00 60.65 62.34 3hif s ILE 60 Cb -0.13 -4.32 -0.18 0.00 0.01 0.00 0.00 42.46 37.84 3hif s ILE 60 CO -0.06 -0.41 0.67 0.18 0.00 0.00 0.00 174.94 175.32 3hif n LEU 61 N 6.63 0.69 -3.73 2.97 4.77 0.13 -4.89 117.00 123.57 3hif n LEU 61 Ca 0.09 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.32 3hif n LEU 61 Cb 0.48 0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3hif n LEU 61 CO 0.56 0.23 0.63 -0.55 -1.33 0.00 0.00 177.39 176.93 3hif s SER 62 N -5.72 -0.25 -0.15 -1.43 0.15 -1.24 -4.93 113.70 100.12 3hif s SER 62 Ca -0.05 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.21 3hif s SER 62 Cb 0.08 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.99 3hif s SER 62 CO 0.82 -1.00 -0.02 -0.31 1.20 0.00 0.00 173.24 173.94 3hif s TYR 63 N -3.47 1.35 -0.12 3.44 2.02 -1.26 -1.85 117.35 117.45 3hif s TYR 63 Ca 0.10 -0.86 -0.06 0.00 -0.37 0.00 0.00 57.07 55.88 3hif s TYR 63 Cb -0.03 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 3hif s TYR 63 CO 0.01 -0.56 0.11 -0.51 -1.57 0.00 0.00 175.55 173.03 3hif s LEU 64 N 1.75 4.17 0.48 -1.29 1.43 0.06 -4.92 118.68 120.36 3hif s LEU 64 Ca 0.01 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 3hif s LEU 64 Cb -0.15 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 3hif s LEU 64 CO -0.07 0.37 0.05 0.20 0.23 0.00 0.00 176.35 177.13 3hif s ASN 65 N -0.81 3.65 0.21 2.29 0.01 -1.26 0.01 114.94 119.04 3hif s ASN 65 Ca 0.13 -1.68 -0.30 0.00 -0.71 0.00 0.00 52.86 50.31 3hif s ASN 65 Cb -0.12 0.55 -0.16 0.00 0.41 0.00 0.00 41.25 41.94 3hif s ASN 65 CO 0.03 -0.90 0.83 1.67 -1.51 0.00 0.00 177.10 177.22 3hif n GLN 66 N -1.15 0.66 0.00 -0.60 7.27 -1.06 -1.13 117.38 121.37 3hif n GLN 66 Ca -0.15 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.16 3hif n GLN 66 Cb 0.66 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.84 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 2.55 3.80 1.69 0.00 -0.83 -4.99 105.19 109.10 3hif n GLY 67 Ca 0.15 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 0.24 7.19 0.22 1.61 1.01 -0.28 -4.90 116.67 121.75 3hif s ASP 68 Ca 0.00 1.45 0.06 0.00 0.71 0.00 0.00 52.55 54.77 3hif s ASP 68 Cb 0.00 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 3hif s ASP 68 CO 0.00 0.18 0.20 -0.36 0.21 0.00 0.00 175.17 175.41 3hif s PHE 69 N -1.24 3.18 0.34 4.23 0.08 -1.26 -3.29 117.98 120.02 3hif s PHE 69 Ca 0.35 -0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.35 3hif s PHE 69 Cb -0.20 -1.46 0.01 0.00 -0.57 0.00 0.00 43.02 40.79 3hif s PHE 69 CO 0.22 0.51 0.08 -0.89 -0.10 0.00 0.00 175.22 175.04 3hif n ILE 70 N -0.95 0.00 -1.10 0.64 5.41 -0.93 -4.75 119.36 117.68 3hif n ILE 70 Ca -0.08 -1.53 -0.02 0.00 1.00 0.00 0.00 62.75 62.12 3hif n ILE 70 Cb 0.57 0.17 -0.00 0.00 -0.71 0.00 0.00 39.64 39.67 3hif n ILE 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hif n GLY 71 N 0.92 -0.08 0.01 7.39 0.00 -1.26 -3.68 105.19 108.48 3hif n GLY 71 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.57 0.02 0.07 1.61 0.00 -1.26 -3.02 120.64 117.49 3hif n GLU 72 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 57.16 57.20 3hif n GLU 72 Cb 0.08 -1.52 0.09 0.00 0.00 0.00 0.00 31.44 30.09 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 0.35 -1.12 -1.84 4.07 -1.98 -3.21 115.31 111.58 3hif h LEU 73 Ca 0.00 -0.21 -0.08 0.00 0.08 0.00 0.00 57.88 57.67 3hif h LEU 73 Cb 0.43 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 3hif h LEU 73 CO 0.00 0.90 -0.36 1.23 -1.08 0.00 0.00 178.44 179.12 3hif h GLY 74 N 1.41 0.00 0.59 0.83 0.00 -1.87 -3.13 103.07 100.90 3hif h GLY 74 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.44 3hif h GLY 74 CO 0.10 0.00 0.59 -2.00 0.00 0.00 0.00 176.54 175.23 3hif h LEU 75 N 0.00 0.00 0.00 3.11 5.85 -1.72 0.90 115.31 123.45 3hif h LEU 75 Ca -0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 3hif h LEU 75 Cb 0.79 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 3hif h LEU 75 CO 0.05 0.00 -2.17 0.49 -0.34 0.00 0.00 178.44 176.46 3hif n PHE 76 N -3.39 0.00 -3.16 1.25 3.72 -1.18 -4.69 117.46 110.00 3hif n PHE 76 Ca 0.08 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.08 3hif n PHE 76 Cb 0.75 -0.80 -0.01 0.00 -0.94 0.00 0.00 39.48 38.47 3hif n PHE 76 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hif n GLU 77 N -2.57 3.91 -1.63 -1.08 1.02 0.31 -5.04 120.64 115.56 3hif n GLU 77 Ca -0.24 -4.56 -0.49 0.00 -0.02 0.00 0.00 57.16 51.85 3hif n GLU 77 Cb 0.98 -2.47 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 3hif n GLU 77 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hif n GLU 78 N 1.47 1.68 -1.57 3.49 2.13 -1.24 -3.55 120.64 123.05 3hif n GLU 78 Ca 0.26 0.61 -0.00 0.00 0.66 0.00 0.00 57.16 58.69 3hif n GLU 78 Cb 0.35 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.75 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 2.98 0.06 2.94 8.31 0.00 -1.26 -5.10 105.19 113.12 3hif n GLY 79 Ca 0.18 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 3hif n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hif s GLN 80 N -3.02 0.42 0.50 1.61 0.74 -1.23 -5.05 119.66 113.63 3hif s GLN 80 Ca 0.01 -0.15 -0.09 0.00 0.05 0.00 0.00 55.36 55.18 3hif s GLN 80 Cb -0.00 -0.42 0.12 0.00 1.10 0.00 0.00 33.01 33.80 3hif s GLN 80 CO 0.03 0.08 0.67 -1.91 -0.55 0.00 0.00 175.29 173.61 3hif n GLU 81 N 3.12 -0.72 -3.31 1.67 4.07 -1.26 -2.38 120.64 121.83 3hif n GLU 81 Ca -0.15 -1.04 -0.10 0.00 -0.06 0.00 0.00 57.16 55.81 3hif n GLU 81 Cb 0.57 -0.70 -0.06 0.00 -0.06 0.00 0.00 31.44 31.19 3hif n GLU 81 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 3hif s ARG 82 N -4.47 0.56 0.23 5.31 1.70 -1.23 -4.82 118.95 116.22 3hif s ARG 82 Ca 0.38 -0.27 0.14 0.00 -0.47 0.00 0.00 55.73 55.50 3hif s ARG 82 Cb -0.01 -0.39 0.82 0.00 -0.57 0.00 0.00 34.95 34.81 3hif s ARG 82 CO 0.27 -1.12 0.95 0.43 -1.08 0.00 0.00 175.30 174.75 3hif n SER 83 N 4.82 0.20 -0.90 -2.89 7.64 -1.26 -3.42 113.62 117.81 3hif n SER 83 Ca 0.06 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.91 3hif n SER 83 Cb 0.49 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3hif n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hif n ALA 84 N -2.56 0.00 -3.54 -0.43 0.00 -1.26 -4.62 120.51 108.09 3hif n ALA 84 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.54 3hif n ALA 84 Cb 0.80 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.20 3hif n ALA 84 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3hif s TRP 85 N -0.48 -0.46 0.04 0.00 -0.11 -1.22 -4.11 118.94 112.60 3hif s TRP 85 Ca 0.00 0.72 -0.02 0.00 1.22 0.00 0.00 56.10 58.02 3hif s TRP 85 Cb 0.00 0.45 -0.03 0.00 -1.50 0.00 0.00 33.47 32.39 3hif s TRP 85 CO 0.00 -0.47 0.00 0.08 -4.62 0.00 0.00 176.95 171.95 3hif s VAL 86 N -1.48 0.18 -0.29 5.86 1.01 -0.68 -3.02 120.40 121.97 3hif s VAL 86 Ca -0.04 -1.46 -0.24 0.00 0.00 0.00 0.00 61.98 60.25 3hif s VAL 86 Cb -0.00 -1.13 0.16 0.00 0.00 0.00 0.00 36.38 35.40 3hif s VAL 86 CO 0.02 -0.80 1.21 -0.13 0.00 0.00 0.00 175.10 175.40 3hif s ARG 87 N -3.17 0.28 0.01 2.72 0.52 -0.89 -3.39 118.95 115.03 3hif s ARG 87 Ca -0.00 0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.26 3hif s ARG 87 Cb 0.02 0.13 -0.05 0.00 0.52 0.00 0.00 34.95 35.57 3hif s ARG 87 CO -0.07 -0.04 1.27 0.00 0.02 0.00 0.00 175.30 176.48 3hif s ALA 88 N 0.28 3.50 0.05 2.13 0.00 -0.87 -0.44 121.76 126.41 3hif s ALA 88 Ca 0.03 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 3hif s ALA 88 Cb -0.05 -3.52 -0.32 0.00 0.00 0.00 0.00 23.12 19.23 3hif s ALA 88 CO -0.11 -0.70 1.06 -0.22 0.00 0.00 0.00 175.76 175.79 3hif h LYS 89 N 7.33 0.58 -5.38 0.00 3.64 -1.53 0.48 116.57 121.69 3hif h LYS 89 Ca -0.38 -0.86 -0.43 0.00 -1.27 0.00 0.00 60.65 57.70 3hif h LYS 89 Cb 1.18 0.30 -0.14 0.00 -0.41 0.00 0.00 32.23 33.17 3hif h LYS 89 CO 0.87 1.40 -0.69 0.95 -2.27 0.00 0.00 179.45 179.70 3hif s THR 90 N -2.80 1.49 -0.07 1.00 -4.23 -1.23 -4.41 115.64 105.38 3hif s THR 90 Ca -0.09 -2.13 -0.34 0.00 -1.18 0.00 0.00 61.69 57.95 3hif s THR 90 Cb 0.05 -2.22 -0.12 0.00 1.34 0.00 0.00 72.50 71.55 3hif s THR 90 CO 0.94 -0.46 1.86 0.00 -0.54 0.00 0.00 174.62 176.42 3hif n ALA 91 N -0.43 0.91 -2.17 3.99 0.00 -1.26 -4.37 120.51 117.18 3hif n ALA 91 Ca -0.07 0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 3hif n ALA 91 Cb 0.62 -2.49 -0.10 0.00 0.00 0.00 0.00 19.45 17.48 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 -3.95 3.48 -0.11 0.00 2.02 -1.04 -0.73 118.70 118.38 3hif s GLU 93 Ca 0.19 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.59 3hif s GLU 93 Cb 0.07 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 31.44 3hif s GLU 93 CO -0.01 0.06 -0.14 0.08 0.02 0.00 0.00 175.26 175.28 3hif s VAL 94 N 0.80 1.40 0.08 2.63 1.01 0.12 -0.18 120.40 126.26 3hif s VAL 94 Ca -0.02 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 3hif s VAL 94 Cb -0.15 -1.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 3hif s VAL 94 CO 0.02 0.42 0.57 0.00 0.00 0.00 0.00 175.10 176.11 3hif s ALA 95 N 1.13 3.59 0.06 5.51 0.00 -0.25 -1.42 121.76 130.38 3hif s ALA 95 Ca -0.04 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.95 3hif s ALA 95 Cb -0.14 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 3hif s ALA 95 CO -0.03 0.40 -0.05 -1.83 0.00 0.00 0.00 175.76 174.25 3hif s GLU 96 N -1.21 0.61 -0.19 0.00 -1.05 -1.02 -0.46 118.70 115.39 3hif s GLU 96 Ca 0.30 -1.05 -0.23 0.00 -0.15 0.00 0.00 54.97 53.84 3hif s GLU 96 Cb -0.19 -0.05 0.06 0.00 -0.44 0.00 0.00 34.13 33.51 3hif s GLU 96 CO 0.19 -0.03 0.61 -1.50 0.95 0.00 0.00 175.26 175.48 3hif s ILE 97 N -2.84 0.00 0.36 1.83 2.07 -1.12 -1.32 121.20 120.18 3hif s ILE 97 Ca 0.01 -0.03 -0.28 0.00 -1.41 0.00 0.00 60.65 58.93 3hif s ILE 97 Cb 0.00 -0.87 -0.11 0.00 0.13 0.00 0.00 42.46 41.60 3hif s ILE 97 CO -0.04 -0.02 1.48 -1.54 -1.91 0.00 0.00 174.94 172.91 3hif n SER 98 N 2.32 3.66 -0.29 4.50 3.41 -1.26 -4.43 113.62 121.54 3hif n SER 98 Ca -0.15 1.21 0.29 0.00 -0.26 0.00 0.00 58.87 59.96 3hif n SER 98 Cb 0.56 -1.60 0.65 0.00 -0.26 0.00 0.00 64.21 63.56 3hif n SER 98 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3hif h TYR 99 N 3.22 0.27 0.49 7.33 0.99 0.57 -1.81 116.97 128.03 3hif h TYR 99 Ca -0.49 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.22 3hif h TYR 99 Cb 1.24 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 38.90 3hif h TYR 99 CO 0.54 0.03 -0.23 0.87 -0.00 0.00 0.00 178.16 179.36 3hif h LYS 100 N 0.16 -0.63 -0.66 4.88 1.79 -1.88 -2.18 116.57 118.05 3hif h LYS 100 Ca 0.55 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 59.02 3hif h LYS 100 Cb 1.84 0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 32.60 3hif h LYS 100 CO -0.12 -0.33 0.24 -0.22 -1.08 0.00 0.00 179.45 177.95 3hif h LYS 101 N -0.96 0.99 -0.96 3.15 3.64 -1.83 -2.14 116.57 118.46 3hif h LYS 101 Ca -0.07 -0.19 0.12 0.00 -1.27 0.00 0.00 60.65 59.25 3hif h LYS 101 Cb 0.60 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 3hif h LYS 101 CO 0.11 0.84 0.61 0.35 -2.27 0.00 0.00 179.45 179.09 3hif h PHE 102 N 0.93 1.04 0.00 1.91 3.57 -1.37 0.25 116.94 123.27 3hif h PHE 102 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3hif h PHE 102 Cb 0.23 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3hif h PHE 102 CO 0.02 0.41 -0.02 0.00 -2.23 0.00 0.00 178.31 176.49 3hif h ARG 103 N 0.90 0.00 0.05 1.11 3.08 -0.71 -1.24 114.38 117.58 3hif h ARG 103 Ca 0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.45 3hif h ARG 103 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.60 3hif h ARG 103 CO -0.24 0.02 -0.36 1.96 -1.07 0.00 0.00 179.97 180.27 3hif h GLN 104 N 0.00 0.11 -0.32 0.04 4.20 -0.44 -3.36 115.11 115.34 3hif h GLN 104 Ca -0.00 -0.19 0.07 0.00 0.06 0.00 0.00 58.65 58.59 3hif h GLN 104 Cb 0.30 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 3hif h GLN 104 CO 0.00 1.09 -0.16 -0.07 -0.67 0.00 0.00 178.83 179.02 3hif h LEU 105 N -0.76 -0.54 -0.99 1.46 3.38 -0.75 -1.28 115.31 115.83 3hif h LEU 105 Ca -0.07 0.13 0.39 0.00 0.09 0.00 0.00 57.88 58.42 3hif h LEU 105 Cb 1.26 0.30 -0.15 0.00 0.09 0.00 0.00 40.66 42.15 3hif h LEU 105 CO 0.05 -0.20 0.57 -0.38 0.09 0.00 0.00 178.44 178.57 3hif n ILE 106 N -5.34 -0.33 -0.05 1.22 2.08 -0.52 0.72 119.36 117.15 3hif n ILE 106 Ca 0.01 1.74 -0.13 0.00 0.56 0.00 0.00 62.75 64.93 3hif n ILE 106 Cb 0.25 -2.84 -0.07 0.00 -0.75 0.00 0.00 39.64 36.23 3hif n ILE 106 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3hif h GLN 107 N 0.00 0.34 0.52 0.38 1.08 -1.38 -2.75 115.11 113.31 3hif h GLN 107 Ca 0.76 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.76 3hif h GLN 107 Cb 2.16 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.60 3hif h GLN 107 CO -0.60 0.72 -0.25 0.28 -0.95 0.00 0.00 178.83 178.03 3hif h VAL 108 N -0.03 0.44 -2.64 -0.54 2.07 0.34 -3.40 116.25 112.49 3hif h VAL 108 Ca 0.02 -0.24 -0.58 0.00 0.82 0.00 0.00 66.70 66.73 3hif h VAL 108 Cb 0.65 0.54 -0.39 0.00 -1.52 0.00 0.00 31.29 30.57 3hif h VAL 108 CO 0.03 0.04 -0.83 0.21 0.02 0.00 0.00 177.57 177.04 3hif s ASN 109 N -4.67 3.08 0.00 0.57 3.84 -0.66 -5.00 114.94 112.09 3hif s ASN 109 Ca -0.16 -2.16 0.02 0.00 0.21 0.00 0.00 52.86 50.77 3hif s ASN 109 Cb 0.03 -0.45 0.10 0.00 -0.55 0.00 0.00 41.25 40.37 3hif s ASN 109 CO 0.57 -0.32 0.36 -0.81 -2.79 0.00 0.00 177.10 174.11 3hif n PRO 110 N 4.09 0.16 -0.12 0.43 -0.04 -1.04 -3.20 135.00 135.29 3hif n PRO 110 Ca 0.10 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 3hif n PRO 110 Cb 0.37 -1.16 0.04 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.90 0.07 3.54 3.58 -1.94 -2.58 116.42 119.99 3hif h ASP 111 Ca 0.00 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 3hif h ASP 111 Cb 0.00 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 3hif h ASP 111 CO 0.00 1.10 -0.04 0.40 -2.88 0.00 0.00 179.24 177.82 3hif h ILE 112 N 0.76 0.75 -0.02 2.25 5.03 -1.86 0.37 117.51 124.78 3hif h ILE 112 Ca 0.10 -0.14 -0.17 0.00 -0.12 0.00 0.00 64.86 64.52 3hif h ILE 112 Cb 0.79 1.08 -0.01 0.00 -3.03 0.00 0.00 36.82 35.65 3hif h ILE 112 CO 0.07 0.04 -0.77 0.25 -0.68 0.00 0.00 178.15 177.05 3hif h LEU 113 N 0.00 0.21 0.23 1.44 5.85 -1.73 -2.17 115.31 119.13 3hif h LEU 113 Ca -0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3hif h LEU 113 Cb 0.08 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3hif h LEU 113 CO 0.00 0.90 -0.19 0.24 -0.34 0.00 0.00 178.44 179.05 3hif h MET 114 N 0.11 -0.39 -1.21 1.25 2.86 0.02 0.41 114.93 117.98 3hif h MET 114 Ca -0.03 0.03 0.35 0.00 -2.06 0.00 0.00 59.70 57.99 3hif h MET 114 Cb 1.35 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 33.04 3hif h MET 114 CO 0.11 -0.26 0.85 -0.09 1.06 0.00 0.00 176.91 178.59 3hif h ARG 115 N -0.40 0.07 0.12 1.72 2.43 -1.16 0.28 114.38 117.43 3hif h ARG 115 Ca -0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hif h ARG 115 Cb 0.34 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3hif h ARG 115 CO -0.00 0.04 -0.06 1.25 -1.51 0.00 0.00 179.97 179.69 3hif h LEU 116 N 0.07 -0.14 -1.75 3.80 5.85 -1.02 -3.13 115.31 118.99 3hif h LEU 116 Ca 0.60 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.61 3hif h LEU 116 Cb 2.24 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 43.24 3hif h LEU 116 CO -0.07 0.08 0.73 0.28 -0.34 0.00 0.00 178.44 179.11 3hif h SER 117 N -0.51 0.18 -0.32 1.25 0.02 0.38 0.44 113.55 114.99 3hif h SER 117 Ca -0.02 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3hif h SER 117 Cb 0.12 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 3hif h SER 117 CO 0.03 0.04 0.03 0.00 -1.14 0.00 0.00 176.83 175.79 3hif h ALA 118 N 1.53 0.31 0.47 3.77 0.00 -0.56 -0.91 119.26 123.86 3hif h ALA 118 Ca 0.54 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 3hif h ALA 118 Cb 1.81 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 3hif h ALA 118 CO -0.12 -0.38 -0.27 0.37 0.00 0.00 0.00 179.25 178.85 3hif h GLN 119 N 0.13 -0.67 -0.80 0.00 4.15 -0.08 0.41 115.11 118.25 3hif h GLN 119 Ca 0.15 0.05 0.26 0.00 0.77 0.00 0.00 58.65 59.88 3hif h GLN 119 Cb 0.19 0.15 -0.15 0.00 0.21 0.00 0.00 27.48 27.88 3hif h GLN 119 CO -0.23 -0.44 0.16 -1.33 -1.93 0.00 0.00 178.83 175.06 3hif n MET 120 N -4.03 -0.06 -0.03 1.69 2.81 -0.82 0.18 117.12 116.86 3hif n MET 120 Ca -0.08 1.17 -0.13 0.00 -1.81 0.00 0.00 57.70 56.85 3hif n MET 120 Cb 0.28 -1.94 -0.09 0.00 -0.71 0.00 0.00 33.22 30.76 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 1.61 0.08 -0.18 3.04 0.00 -0.84 -2.13 119.26 120.84 3hif h ALA 121 Ca 0.55 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.22 3hif h ALA 121 Cb 1.28 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 3hif h ALA 121 CO -0.71 -0.09 -0.20 -0.09 0.00 0.00 0.00 179.25 178.16 3hif h ARG 122 N -0.32 -0.22 -0.28 0.00 1.12 0.42 0.20 114.38 115.29 3hif h ARG 122 Ca 0.01 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.86 3hif h ARG 122 Cb 0.62 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.61 3hif h ARG 122 CO 0.02 -0.15 0.04 -0.09 -3.11 0.00 0.00 179.97 176.68 3hif h ARG 123 N -0.23 0.41 0.54 0.20 2.43 -1.31 -3.12 114.38 113.31 3hif h ARG 123 Ca 0.12 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3hif h ARG 123 Cb 0.40 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3hif h ARG 123 CO -0.31 0.41 -0.26 1.25 -1.51 0.00 0.00 179.97 179.55 3hif h LEU 124 N 0.40 -0.62 -0.67 3.80 6.46 -0.32 -2.49 115.31 121.88 3hif h LEU 124 Ca 0.09 -0.05 0.27 0.00 -0.12 0.00 0.00 57.88 58.08 3hif h LEU 124 Cb 0.21 0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 40.19 3hif h LEU 124 CO 0.00 -0.31 0.37 1.67 -0.62 0.00 0.00 178.44 179.55 3hif n GLN 125 N -5.33 -0.04 0.21 1.25 -0.06 0.51 0.42 117.38 114.34 3hif n GLN 125 Ca -0.12 0.88 0.05 0.00 -2.00 0.00 0.00 57.00 55.82 3hif n GLN 125 Cb 0.33 -1.59 0.50 0.00 -4.06 0.00 0.00 30.24 25.42 3hif n GLN 125 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3hif h VAL 126 N 0.00 1.12 0.00 1.69 2.07 -1.51 -2.90 116.25 116.71 3hif h VAL 126 Ca 0.55 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3hif h VAL 126 Cb 1.48 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3hif h VAL 126 CO -0.48 0.16 -0.00 0.74 0.02 0.00 0.00 177.57 178.01 3hif h THR 127 N 0.05 1.46 0.00 2.57 2.02 0.83 -3.24 112.91 116.60 3hif h THR 127 Ca 0.01 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.81 3hif h THR 127 Cb 0.27 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3hif h THR 127 CO 0.02 0.36 0.00 0.28 0.37 0.00 0.00 175.52 176.55 3hif h SER 128 N -0.59 0.00 -0.36 4.18 0.02 -1.35 -2.25 113.55 113.20 3hif h SER 128 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3hif h SER 128 Cb 0.59 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.04 3hif h SER 128 CO 0.00 0.00 0.18 -0.62 -1.14 0.00 0.00 176.83 175.26 3hif n GLU 129 N -2.68 1.88 -3.74 3.45 1.02 -1.11 -5.13 120.64 114.33 3hif n GLU 129 Ca -0.01 -1.27 -0.27 0.00 -0.02 0.00 0.00 57.16 55.59 3hif n GLU 129 Cb 0.15 -1.60 -0.17 0.00 -0.02 0.00 0.00 31.44 29.80 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 -1.49 0.63 0.33 3.49 1.02 -0.85 -5.06 119.74 117.79 3hif s LYS 130 Ca 0.23 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 55.91 3hif s LYS 130 Cb 0.19 -1.92 0.06 0.00 -0.52 0.00 0.00 37.83 35.64 3hif s LYS 130 CO 0.05 -0.59 0.45 0.27 -0.92 0.00 0.00 175.35 174.61 3hif n ASN 133 N 5.07 0.73 -0.13 2.83 6.94 -1.26 -5.08 115.26 124.37 3hif n ASN 133 Ca -0.09 -1.59 -0.05 0.00 -0.02 0.00 0.00 54.58 52.83 3hif n ASN 133 Cb 0.48 -0.28 0.03 0.00 -2.36 0.00 0.00 39.78 37.65 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 0.19 -1.43 -4.53 3.38 -2.05 -0.94 115.31 109.93 3hif h LEU 134 Ca -0.15 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hif h LEU 134 Cb 0.58 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3hif h LEU 134 CO 0.17 0.15 0.39 0.00 0.09 0.00 0.00 178.44 179.24 3hif h ALA 135 N 1.25 1.59 -0.22 1.53 0.00 -2.06 -0.61 119.26 120.73 3hif h ALA 135 Ca 0.19 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3hif h ALA 135 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hif h ALA 135 CO -0.17 0.38 -0.17 0.35 0.00 0.00 0.00 179.25 179.64 3hif h PHE 136 N 0.79 0.60 0.00 0.00 3.57 -1.80 -2.99 116.94 117.11 3hif h PHE 136 Ca 0.22 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3hif h PHE 136 Cb -0.09 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3hif h PHE 136 CO -0.00 0.82 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.63 3hif h LEU 137 N 0.20 0.00 0.00 0.59 3.38 -0.66 -2.29 115.31 116.53 3hif h LEU 137 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hif h LEU 137 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3hif h LEU 137 CO 0.04 0.20 -0.00 -0.78 0.09 0.00 0.00 178.44 178.00 3hif h ASP 138 N 0.00 -0.00 -0.78 -0.43 -0.00 -1.02 -2.48 116.42 111.71 3hif h ASP 138 Ca -0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 57.03 56.75 3hif h ASP 138 Cb 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.68 3hif h ASP 138 CO 0.03 0.26 0.42 0.58 -0.00 0.00 0.00 179.24 180.53 3hif h VAL 139 N -0.26 1.23 -0.66 2.25 2.07 -1.37 -2.40 116.25 117.11 3hif h VAL 139 Ca -0.00 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3hif h VAL 139 Cb 0.26 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 3hif h VAL 139 CO 0.00 0.26 0.39 0.74 0.02 0.00 0.00 177.57 178.99 3hif h THR 140 N 1.10 1.02 -0.26 2.57 2.02 -1.23 0.05 112.91 118.18 3hif h THR 140 Ca 0.28 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 67.09 3hif h THR 140 Cb 0.04 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3hif h THR 140 CO -0.04 0.14 -0.32 1.23 0.37 0.00 0.00 175.52 176.90 3hif h GLY 141 N 0.74 0.59 0.86 2.16 0.00 -1.12 -1.52 103.07 104.78 3hif h GLY 141 Ca 0.28 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3hif h GLY 141 CO -0.15 0.48 0.04 3.21 0.00 0.00 0.00 176.54 180.12 3hif h ARG 142 N 0.47 0.41 -0.38 4.80 3.08 -0.88 -1.36 114.38 120.52 3hif h ARG 142 Ca 0.06 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3hif h ARG 142 Cb 0.78 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3hif h ARG 142 CO 0.06 0.54 0.14 0.82 -1.07 0.00 0.00 179.97 180.47 3hif h ILE 143 N 0.22 1.20 -0.96 2.04 2.04 -0.92 -0.62 117.51 120.52 3hif h ILE 143 Ca 0.07 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.35 3hif h ILE 143 Cb 0.33 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3hif h ILE 143 CO 0.01 0.22 0.63 0.00 0.00 0.00 0.00 178.15 179.00 3hif h ALA 144 N 0.98 1.39 -0.41 1.87 0.00 -1.25 -1.15 119.26 120.70 3hif h ALA 144 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hif h ALA 144 Cb 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hif h ALA 144 CO -0.01 0.51 0.09 0.37 0.00 0.00 0.00 179.25 180.21 3hif h GLN 145 N 1.20 0.65 -0.37 0.00 4.15 -0.78 -0.13 115.11 119.83 3hif h GLN 145 Ca 0.38 -0.16 0.02 0.00 0.77 0.00 0.00 58.65 59.66 3hif h GLN 145 Cb 0.03 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 3hif h GLN 145 CO -0.12 0.68 0.21 1.15 -1.93 0.00 0.00 178.83 178.82 3hif h THR 146 N 0.52 1.03 -0.66 2.39 2.02 -0.47 0.84 112.91 118.57 3hif h THR 146 Ca 0.13 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 3hif h THR 146 Cb 0.32 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3hif h THR 146 CO 0.00 0.08 0.19 -0.07 0.37 0.00 0.00 175.52 176.09 3hif h LEU 147 N 0.43 0.96 -0.01 2.58 3.38 -1.10 -2.34 115.31 119.21 3hif h LEU 147 Ca 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hif h LEU 147 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3hif h LEU 147 CO -0.07 0.91 0.00 0.25 0.09 0.00 0.00 178.44 179.62 3hif h LEU 148 N 0.99 0.01 -1.38 1.67 6.46 -0.42 -2.12 115.31 120.52 3hif h LEU 148 Ca 0.22 -0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 3hif h LEU 148 Cb 0.30 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.19 3hif h LEU 148 CO -0.01 0.16 0.45 0.78 -0.62 0.00 0.00 178.44 179.21 3hif h ASN 149 N -0.15 0.69 0.97 1.25 -0.26 -0.71 -0.41 115.58 116.96 3hif h ASN 149 Ca 0.00 -0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 55.67 3hif h ASN 149 Cb 0.16 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 3hif h ASN 149 CO -0.00 0.47 -0.33 -0.07 -1.06 0.00 0.00 177.43 176.44 3hif h LEU 150 N 0.79 0.00 -0.43 1.61 3.38 -1.27 -1.27 115.31 118.12 3hif h LEU 150 Ca 0.28 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 3hif h LEU 150 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hif h LEU 150 CO -0.08 0.33 -0.78 0.00 0.09 0.00 0.00 178.44 178.00 3hif h ALA 151 N 1.67 0.68 -0.01 1.53 0.00 -0.41 -2.88 119.26 119.85 3hif h ALA 151 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3hif h ALA 151 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hif h ALA 151 CO 0.04 0.90 -0.16 1.63 0.00 0.00 0.00 179.25 181.66 3hif n LYS 152 N -3.68 1.16 -2.62 0.00 5.02 -0.76 -4.84 118.16 112.45 3hif n LYS 152 Ca -0.02 -0.69 -0.34 0.00 -2.02 0.00 0.00 58.31 55.23 3hif n LYS 152 Cb 0.75 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.22 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 -2.31 3.99 0.60 1.97 -1.52 -0.50 -4.94 119.66 116.96 3hif s GLN 153 Ca 0.29 1.33 0.36 0.00 -1.95 0.00 0.00 55.36 55.39 3hif s GLN 153 Cb 0.20 -2.21 1.95 0.00 -0.22 0.00 0.00 33.01 32.72 3hif s GLN 153 CO 0.45 -0.26 2.23 -1.35 -0.25 0.00 0.00 175.29 176.11 3hif h PRO 154 N 1.86 0.00 -0.93 2.91 0.11 -1.91 -2.58 132.00 131.46 3hif h PRO 154 Ca -0.49 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.32 3hif h PRO 154 Cb 1.21 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.14 3hif h PRO 154 CO 0.60 0.03 0.39 -0.40 -0.21 0.00 0.00 178.00 178.40 3hif n ASP 155 N -3.37 3.81 -4.88 -2.05 5.68 -1.26 -4.93 116.55 109.56 3hif n ASP 155 Ca -0.02 -3.10 -0.34 0.00 -0.50 0.00 0.00 54.79 50.82 3hif n ASP 155 Cb 0.14 -0.73 -0.05 0.00 -1.14 0.00 0.00 41.12 39.34 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 -2.47 3.77 0.14 2.12 0.00 -0.98 -4.83 121.76 119.53 3hif s ALA 156 Ca 0.43 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 3hif s ALA 156 Cb 0.35 -2.19 -0.07 0.00 0.00 0.00 0.00 23.12 21.21 3hif s ALA 156 CO 0.09 0.60 0.60 -1.64 0.00 0.00 0.00 175.76 175.41 3hif s MET 157 N -1.92 4.11 -0.25 0.00 -1.94 0.17 -4.89 119.30 114.59 3hif s MET 157 Ca 0.32 0.66 -0.27 0.00 -1.71 0.00 0.00 55.69 54.69 3hif s MET 157 Cb -0.14 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 33.70 3hif s MET 157 CO 0.18 0.51 0.95 0.99 -0.01 0.00 0.00 175.02 177.64 3hif s THR 158 N -1.37 4.72 0.01 2.05 2.01 -1.26 -0.08 115.64 121.72 3hif s THR 158 Ca 0.36 1.78 0.08 0.00 0.31 0.00 0.00 61.69 64.22 3hif s THR 158 Cb -0.17 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.07 3hif s THR 158 CO 0.20 -0.18 -0.25 -2.28 -0.69 0.00 0.00 174.62 171.41 3hif s HIS 159 N 3.11 2.35 0.38 4.92 5.04 0.31 -4.89 115.29 126.52 3hif s HIS 159 Ca 0.40 -0.41 0.19 0.00 -1.54 0.00 0.00 55.06 53.70 3hif s HIS 159 Cb -0.15 -1.46 1.16 0.00 0.04 0.00 0.00 32.58 32.18 3hif s HIS 159 CO 0.08 0.05 1.68 -1.35 -2.34 0.00 0.00 174.74 172.86 3hif h PRO 160 N 5.16 0.29 0.00 2.88 0.11 -2.00 0.13 132.00 138.57 3hif h PRO 160 Ca -0.45 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 3hif h PRO 160 Cb 1.13 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3hif h PRO 160 CO 0.46 0.19 -1.25 -0.44 -0.21 0.00 0.00 178.00 176.74 3hif h ASP 161 N 0.30 0.00 0.00 -2.05 3.45 -1.95 -3.50 116.42 112.67 3hif h ASP 161 Ca 0.72 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.18 3hif h ASP 161 Cb 1.83 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.60 3hif h ASP 161 CO -0.48 0.99 0.00 0.61 -1.57 0.00 0.00 179.24 178.79 3hif n GLY 162 N 1.42 -0.36 3.26 2.75 0.00 0.44 -3.26 105.19 109.44 3hif n GLY 162 Ca -0.06 0.53 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 1.83 0.16 1.61 -1.94 -0.21 -0.53 119.30 120.23 3hif s MET 163 Ca 0.00 -0.83 0.09 0.00 -1.71 0.00 0.00 55.69 53.24 3hif s MET 163 Cb 0.00 -1.78 -0.04 0.00 2.01 0.00 0.00 34.83 35.01 3hif s MET 163 CO 0.00 0.49 -0.13 -1.14 -0.01 0.00 0.00 175.02 174.23 3hif s GLN 164 N -0.59 1.95 0.30 2.03 0.74 0.89 0.21 119.66 125.19 3hif s GLN 164 Ca 0.09 -1.26 0.05 0.00 0.05 0.00 0.00 55.36 54.29 3hif s GLN 164 Cb -0.09 -2.13 -0.03 0.00 1.10 0.00 0.00 33.01 31.86 3hif s GLN 164 CO -0.01 0.45 0.22 0.96 -0.55 0.00 0.00 175.29 176.36 3hif s ILE 165 N -1.55 0.07 -0.14 -2.34 -4.36 0.16 0.42 121.20 113.46 3hif s ILE 165 Ca 0.23 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.61 3hif s ILE 165 Cb -0.09 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.16 3hif s ILE 165 CO 0.13 0.00 -0.05 -0.75 0.24 0.00 0.00 174.94 174.52 3hif s LYS 166 N -3.66 1.28 -0.22 0.37 2.47 -1.26 -2.06 119.74 116.66 3hif s LYS 166 Ca 0.39 -0.33 -0.27 0.00 -1.56 0.00 0.00 55.97 54.20 3hif s LYS 166 Cb 0.04 -1.72 0.12 0.00 -1.46 0.00 0.00 37.83 34.81 3hif s LYS 166 CO 0.22 -0.37 1.02 -1.50 0.16 0.00 0.00 175.35 174.88 3hif s ILE 167 N 1.73 0.00 0.68 5.43 2.07 -0.19 -5.03 121.20 125.88 3hif s ILE 167 Ca 0.03 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.22 3hif s ILE 167 Cb -0.14 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.51 3hif s ILE 167 CO -0.08 0.00 0.97 0.42 -1.91 0.00 0.00 174.94 174.35 3hif s THR 168 N -0.41 2.34 0.08 4.00 -4.23 -1.26 -4.56 115.64 111.60 3hif s THR 168 Ca 0.01 -0.35 0.15 0.00 -1.18 0.00 0.00 61.69 60.32 3hif s THR 168 Cb -0.03 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.86 3hif s THR 168 CO -0.03 0.00 1.57 0.03 -0.54 0.00 0.00 174.62 175.66 3hif h ARG 169 N -0.48 0.00 0.00 3.99 3.08 -1.97 -3.10 114.38 115.90 3hif h ARG 169 Ca -0.44 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.38 3hif h ARG 169 Cb 1.31 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 3hif h ARG 169 CO 0.58 0.53 -1.17 -0.56 -1.07 0.00 0.00 179.97 178.29 3hif h GLN 170 N 0.00 0.01 -0.63 0.04 -0.00 -1.94 -3.03 115.11 109.56 3hif h GLN 170 Ca -0.01 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.56 3hif h GLN 170 Cb 1.19 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 28.65 3hif h GLN 170 CO 0.07 0.89 0.10 0.93 -0.00 0.00 0.00 178.83 180.82 3hif h GLU 171 N 0.00 1.05 -0.28 0.06 5.08 -1.95 -0.06 114.58 118.49 3hif h GLU 171 Ca -0.08 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3hif h GLU 171 Cb 1.83 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 3hif h GLU 171 CO 0.12 0.97 0.06 0.82 -1.00 0.00 0.00 179.01 179.98 3hif h ILE 172 N 0.96 1.22 -0.93 3.13 2.04 -1.61 -0.48 117.51 121.84 3hif h ILE 172 Ca 0.19 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.32 3hif h ILE 172 Cb 0.44 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 3hif h ILE 172 CO 0.01 0.24 0.61 1.23 0.00 0.00 0.00 178.15 180.25 3hif h GLY 173 N 0.28 1.33 0.83 5.37 0.00 -1.39 0.47 103.07 109.96 3hif h GLY 173 Ca 0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3hif h GLY 173 CO 0.00 0.44 0.03 -1.61 0.00 0.00 0.00 176.54 175.40 3hif h GLN 174 N 1.22 0.31 -0.40 4.80 4.15 -0.81 0.56 115.11 124.94 3hif h GLN 174 Ca 0.36 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 3hif h GLN 174 Cb -0.07 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3hif h GLN 174 CO -0.10 0.47 0.12 0.82 -1.93 0.00 0.00 178.83 178.21 3hif h ILE 175 N 0.10 1.22 0.03 2.39 2.04 -0.78 -3.13 117.51 119.38 3hif h ILE 175 Ca 0.06 -0.71 -0.22 0.00 1.00 0.00 0.00 64.86 64.99 3hif h ILE 175 Cb 0.31 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3hif h ILE 175 CO 0.00 0.25 -1.03 0.58 0.00 0.00 0.00 178.15 177.95 3hif h VAL 176 N 0.50 1.62 -0.27 1.67 2.07 -0.92 -3.48 116.25 117.44 3hif h VAL 176 Ca 0.13 -3.18 0.00 0.00 0.82 0.00 0.00 66.70 64.47 3hif h VAL 176 Cb 0.26 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3hif h VAL 176 CO -0.00 0.92 0.00 0.61 0.02 0.00 0.00 177.57 179.11 3hif n GLY 177 N 1.29 1.02 3.40 2.17 0.00 0.17 -5.07 105.19 108.16 3hif n GLY 177 Ca -0.03 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.43 3.29 0.40 0.00 1.04 -1.26 -4.36 113.70 109.38 3hif s SER 179 Ca 0.36 1.33 0.21 0.00 0.48 0.00 0.00 55.95 58.33 3hif s SER 179 Cb 0.08 -2.01 0.76 0.00 0.10 0.00 0.00 66.02 64.95 3hif s SER 179 CO 0.15 -2.73 1.76 -0.09 0.98 0.00 0.00 173.24 173.31 3hif h ARG 180 N -1.62 0.00 -0.04 4.02 2.43 -1.95 -2.90 114.38 114.32 3hif h ARG 180 Ca -0.51 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.50 3hif h ARG 180 Cb 1.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 3hif h ARG 180 CO 0.57 0.31 -0.67 0.93 -1.51 0.00 0.00 179.97 179.59 3hif h GLU 181 N 0.00 0.20 -0.29 0.20 3.07 -1.95 -2.93 114.58 112.88 3hif h GLU 181 Ca -0.00 -0.15 -0.14 0.00 -0.50 0.00 0.00 59.36 58.57 3hif h GLU 181 Cb 0.85 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 3hif h GLU 181 CO 0.04 0.80 -0.37 1.15 -1.40 0.00 0.00 179.01 179.23 3hif h THR 182 N 0.14 1.29 -0.55 1.13 2.02 -1.88 -2.85 112.91 112.21 3hif h THR 182 Ca -0.01 -1.53 -0.05 0.00 0.77 0.00 0.00 66.41 65.59 3hif h THR 182 Cb 1.20 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 3hif h THR 182 CO 0.10 0.49 0.16 0.58 0.37 0.00 0.00 175.52 177.23 3hif h VAL 183 N 0.56 1.24 0.04 3.16 2.07 -1.46 -2.76 116.25 119.09 3hif h VAL 183 Ca 0.05 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3hif h VAL 183 Cb 0.89 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3hif h VAL 183 CO 0.08 0.30 -0.02 1.23 0.02 0.00 0.00 177.57 179.18 3hif h GLY 184 N 0.76 -0.05 1.53 2.17 0.00 -1.44 -0.93 103.07 105.12 3hif h GLY 184 Ca 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 3hif h GLY 184 CO -0.00 -0.02 0.16 -0.09 0.00 0.00 0.00 176.54 176.59 3hif h ARG 185 N -0.16 0.61 0.03 4.80 2.43 -1.50 -1.19 114.38 119.41 3hif h ARG 185 Ca -0.01 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 58.91 3hif h ARG 185 Cb 0.14 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3hif h ARG 185 CO 0.01 0.51 -0.70 0.82 -1.51 0.00 0.00 179.97 179.11 3hif h ILE 186 N 0.60 1.43 -0.72 1.20 5.03 -1.39 -2.47 117.51 121.18 3hif h ILE 186 Ca 0.15 -2.20 0.08 0.00 -0.12 0.00 0.00 64.86 62.77 3hif h ILE 186 Cb 0.14 2.72 -0.05 0.00 -3.03 0.00 0.00 36.82 36.60 3hif h ILE 186 CO -0.01 0.64 0.48 -0.07 -0.68 0.00 0.00 178.15 178.50 3hif h LEU 187 N -0.12 0.60 -0.09 1.44 4.07 -0.98 0.12 115.31 120.36 3hif h LEU 187 Ca -0.10 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 3hif h LEU 187 Cb 1.43 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 43.04 3hif h LEU 187 CO 0.14 0.37 0.04 0.50 -1.08 0.00 0.00 178.44 178.41 3hif h LYS 188 N 0.68 0.13 -0.41 1.13 3.64 -1.19 -2.23 116.57 118.32 3hif h LYS 188 Ca 0.33 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3hif h LYS 188 Cb 0.39 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3hif h LYS 188 CO -0.11 0.22 0.23 1.98 -2.27 0.00 0.00 179.45 179.50 3hif h MET 189 N 0.01 0.56 -0.11 1.90 4.05 -0.74 -1.67 114.93 118.94 3hif h MET 189 Ca 0.03 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.33 3hif h MET 189 Cb 0.13 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3hif h MET 189 CO -0.00 0.44 -0.21 -0.07 0.23 0.00 0.00 176.91 177.31 3hif h LEU 190 N 0.53 0.18 -0.51 3.39 3.38 -0.80 -1.76 115.31 119.73 3hif h LEU 190 Ca 0.14 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3hif h LEU 190 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3hif h LEU 190 CO -0.02 0.40 -0.73 -0.08 0.09 0.00 0.00 178.44 178.10 3hif h GLU 191 N 0.18 0.14 0.00 1.13 4.81 -1.13 -2.40 114.58 117.30 3hif h GLU 191 Ca 0.03 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 3hif h GLU 191 Cb 0.47 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3hif h GLU 191 CO 0.03 0.81 -0.27 -0.44 -0.73 0.00 0.00 179.01 178.41 3hif h ASP 192 N 0.09 0.00 -0.31 1.04 3.32 -0.49 -2.51 116.42 117.56 3hif h ASP 192 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hif h ASP 192 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hif h ASP 192 CO 0.11 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 3hif n GLN 193 N -3.53 1.76 -3.68 3.56 1.13 -0.76 -4.91 117.38 110.94 3hif n GLN 193 Ca -0.00 -1.18 -0.25 0.00 -1.94 0.00 0.00 57.00 53.63 3hif n GLN 193 Cb 0.42 -1.27 0.06 0.00 0.11 0.00 0.00 30.24 29.56 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 0.45 -5.15 -0.06 1.08 3.02 -0.94 -4.90 115.26 108.75 3hif n ASN 194 Ca 0.12 -0.64 -0.08 0.00 -0.03 0.00 0.00 54.58 53.95 3hif n ASN 194 Cb 0.28 -4.65 -0.07 0.00 -0.61 0.00 0.00 39.78 34.74 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 -4.78 2.01 -4.25 3.41 4.77 -0.92 -4.93 117.00 112.31 3hif n LEU 195 Ca -0.03 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.75 3hif n LEU 195 Cb 0.57 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 3hif n LEU 195 CO 0.68 0.58 -0.19 0.27 -1.33 0.00 0.00 177.39 177.39 3hif s ILE 196 N -2.27 0.06 -0.03 -0.08 -4.36 -1.20 -1.68 121.20 111.63 3hif s ILE 196 Ca -0.14 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.25 3hif s ILE 196 Cb 0.04 -2.51 0.03 0.00 1.25 0.00 0.00 42.46 41.27 3hif s ILE 196 CO 0.35 0.00 0.02 -0.94 0.24 0.00 0.00 174.94 174.61 3hif s SER 197 N -3.26 0.63 -0.19 4.36 1.04 -0.94 -4.25 113.70 111.08 3hif s SER 197 Ca 0.39 0.00 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 3hif s SER 197 Cb 0.05 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 3hif s SER 197 CO 0.18 -0.15 -0.02 0.00 0.98 0.00 0.00 173.24 174.23 3hif s ALA 198 N 1.36 2.97 -0.40 5.32 0.00 -1.26 -2.25 121.76 127.50 3hif s ALA 198 Ca -0.05 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.97 3hif s ALA 198 Cb -0.13 -1.69 0.16 0.00 0.00 0.00 0.00 23.12 21.47 3hif s ALA 198 CO -0.03 -0.11 0.44 -1.58 0.00 0.00 0.00 175.76 174.49 3hif s HIS 199 N 0.92 -0.48 0.00 0.00 2.46 -0.85 -5.06 115.29 112.29 3hif s HIS 199 Ca 0.00 -0.82 0.00 0.00 0.47 0.00 0.00 55.06 54.71 3hif s HIS 199 Cb -0.14 -0.29 0.00 0.00 -0.13 0.00 0.00 32.58 32.02 3hif s HIS 199 CO 0.01 -1.01 0.00 0.41 -2.47 0.00 0.00 174.74 171.68 3hif n GLY 200 N 3.98 1.34 0.36 1.59 0.00 -1.26 -2.74 105.19 108.46 3hif n GLY 200 Ca 0.14 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 12.38 1.18 -3.51 1.61 4.01 -1.26 -4.85 118.16 127.72 3hif n LYS 201 Ca 0.00 -0.72 -0.38 0.00 -0.51 0.00 0.00 58.31 56.70 3hif n LYS 201 Cb 0.00 -1.49 -0.09 0.00 -0.51 0.00 0.00 35.03 32.95 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 -2.32 5.26 -0.06 -0.18 2.01 -1.11 -1.02 115.64 118.23 3hif s THR 202 Ca 0.29 0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.76 3hif s THR 202 Cb 0.20 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 69.10 3hif s THR 202 CO 0.45 0.28 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.94 3hif s ILE 203 N 1.34 0.87 -0.22 1.82 1.01 -0.87 -2.01 121.20 123.14 3hif s ILE 203 Ca 0.13 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 3hif s ILE 203 Cb -0.14 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 3hif s ILE 203 CO 0.07 0.30 0.03 -0.69 0.00 0.00 0.00 174.94 174.65 3hif s VAL 204 N 0.80 4.14 -0.28 2.92 1.01 -0.96 0.36 120.40 128.38 3hif s VAL 204 Ca -0.13 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3hif s VAL 204 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3hif s VAL 204 CO 0.02 0.39 0.49 -0.69 0.00 0.00 0.00 175.10 175.31 3hif s VAL 205 N 1.24 5.08 0.69 2.92 1.01 0.56 -2.21 120.40 129.69 3hif s VAL 205 Ca 0.04 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 3hif s VAL 205 Cb -0.15 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.41 3hif s VAL 205 CO 0.02 0.04 1.07 -0.31 0.00 0.00 0.00 175.10 175.92 3hif s TYR 206 N 2.28 2.97 0.00 5.22 4.12 -0.68 -1.04 117.35 130.22 3hif s TYR 206 Ca 0.19 1.47 0.00 0.00 0.02 0.00 0.00 57.07 58.75 3hif s TYR 206 Cb -0.16 -2.95 0.00 0.00 -1.52 0.00 0.00 41.96 37.33 3hif s TYR 206 CO 0.10 -1.33 0.00 0.41 0.02 0.00 0.00 175.55 174.75