#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 3.63 0.12 3.42 3.68 -1.26 -5.02 116.67 121.23 3hif s ASP 8 Ca 0.00 -2.95 -0.18 0.00 2.13 0.00 0.00 52.55 51.56 3hif s ASP 8 Cb 0.00 -1.12 0.01 0.00 -1.45 0.00 0.00 42.92 40.36 3hif s ASP 8 CO 0.00 -0.22 0.99 -2.65 0.13 0.00 0.00 175.17 173.43 3hif n PRO 9 N 3.12 -0.25 0.22 4.34 -0.02 -1.26 -1.99 135.00 139.16 3hif n PRO 9 Ca 0.13 0.98 -0.10 0.00 -2.02 0.00 0.00 63.50 62.50 3hif n PRO 9 Cb 0.36 -1.44 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 3hif n PRO 9 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3hif h THR 10 N 0.00 0.00 -0.98 3.45 1.35 -1.99 -2.97 112.91 111.77 3hif h THR 10 Ca 0.14 -0.45 0.27 0.00 -0.55 0.00 0.00 66.41 65.82 3hif h THR 10 Cb 0.30 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 66.54 3hif h THR 10 CO -0.62 0.00 0.06 0.25 -0.25 0.00 0.00 175.52 174.96 3hif h LEU 11 N -1.07 -0.42 -1.11 3.87 6.46 -1.91 1.20 115.31 122.33 3hif h LEU 11 Ca -0.06 0.27 -0.06 0.00 -0.12 0.00 0.00 57.88 57.91 3hif h LEU 11 Cb 0.48 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 3hif h LEU 11 CO 0.10 -0.35 -0.02 -0.33 -0.62 0.00 0.00 178.44 177.22 3hif h GLU 12 N 0.02 0.60 0.04 1.25 5.08 -1.46 0.15 114.58 120.26 3hif h GLU 12 Ca 0.60 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3hif h GLU 12 Cb 1.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3hif h GLU 12 CO -0.90 0.64 -0.02 2.35 -1.00 0.00 0.00 179.01 180.08 3hif h TRP 13 N 0.57 -0.06 -0.42 4.33 7.01 0.14 -3.00 115.95 124.52 3hif h TRP 13 Ca 0.12 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.20 3hif h TRP 13 Cb 0.40 0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 27.38 3hif h TRP 13 CO 0.02 0.45 -0.27 0.35 -2.79 0.00 0.00 178.44 176.20 3hif h PHE 14 N -0.60 -0.72 0.00 2.65 3.04 -0.14 -1.68 116.94 119.49 3hif h PHE 14 Ca -0.01 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 3hif h PHE 14 Cb 0.53 0.38 -0.00 0.00 2.56 0.00 0.00 35.95 39.42 3hif h PHE 14 CO 0.10 -0.34 -0.08 -0.07 -2.02 0.00 0.00 178.31 175.91 3hif h LEU 15 N -0.19 0.00 0.00 0.59 3.38 -1.04 -0.35 115.31 117.71 3hif h LEU 15 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hif h LEU 15 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hif h LEU 15 CO -0.53 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 176.53 3hif n SER 16 N -3.44 0.00 -0.19 -0.43 3.41 -0.63 -1.77 113.62 110.57 3hif n SER 16 Ca -0.02 -0.59 0.02 0.00 -0.26 0.00 0.00 58.87 58.03 3hif n SER 16 Cb 0.22 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 3hif n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hif n HIS 17 N -1.06 0.02 -4.01 7.33 8.25 -0.15 -5.03 115.22 120.57 3hif n HIS 17 Ca 0.16 -0.06 -0.22 0.00 -0.26 0.00 0.00 57.72 57.34 3hif n HIS 17 Cb 0.10 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 3hif n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hif s HIS 19 N -2.38 3.09 -0.18 0.00 3.76 -0.87 -4.89 115.29 113.81 3hif s HIS 19 Ca 0.38 -1.01 -0.15 0.00 -0.15 0.00 0.00 55.06 54.13 3hif s HIS 19 Cb -0.04 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 3hif s HIS 19 CO 0.24 -0.57 0.34 0.42 -0.85 0.00 0.00 174.74 174.32 3hif s ILE 20 N 1.48 5.26 0.16 0.60 1.09 -1.26 -2.24 121.20 126.29 3hif s ILE 20 Ca 0.03 0.62 0.03 0.00 -1.10 0.00 0.00 60.65 60.23 3hif s ILE 20 Cb -0.16 -3.68 -0.05 0.00 -1.06 0.00 0.00 42.46 37.51 3hif s ILE 20 CO 0.00 0.32 -0.03 -1.38 -0.10 0.00 0.00 174.94 173.75 3hif s HIS 21 N 0.88 1.20 -0.03 3.97 -3.43 -0.65 -4.95 115.29 112.28 3hif s HIS 21 Ca 0.18 -0.93 -0.05 0.00 -0.80 0.00 0.00 55.06 53.45 3hif s HIS 21 Cb -0.14 -0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 30.30 3hif s HIS 21 CO 0.06 -0.11 0.21 0.15 -2.00 0.00 0.00 174.74 173.04 3hif s LYS 22 N -3.86 3.50 -0.38 -0.38 1.02 -1.26 -0.91 119.74 117.47 3hif s LYS 22 Ca 0.21 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 56.02 3hif s LYS 22 Cb 0.05 -3.11 0.12 0.00 -0.52 0.00 0.00 37.83 34.36 3hif s LYS 22 CO 0.02 0.69 0.16 0.71 -0.92 0.00 0.00 175.35 176.02 3hif s TYR 23 N -1.24 1.97 0.53 3.18 2.02 0.44 -4.98 117.35 119.26 3hif s TYR 23 Ca 0.24 -2.16 -0.20 0.00 -0.37 0.00 0.00 57.07 54.58 3hif s TYR 23 Cb -0.13 -1.87 -0.09 0.00 -0.40 0.00 0.00 41.96 39.47 3hif s TYR 23 CO 0.14 -0.84 0.66 -0.35 -1.57 0.00 0.00 175.55 173.60 3hif n PRO 24 N 4.15 0.70 -1.49 -1.71 -0.04 -1.26 -2.42 135.00 132.92 3hif n PRO 24 Ca 0.04 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.33 3hif n PRO 24 Cb 0.38 -1.79 -0.00 0.00 -0.04 0.00 0.00 33.50 32.05 3hif n PRO 24 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hif n SER 25 N 0.43 -0.21 0.00 3.54 3.41 -1.26 -1.75 113.62 117.78 3hif n SER 25 Ca 0.12 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 3hif n SER 25 Cb 0.45 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 0.63 0.00 -2.49 4.33 4.01 0.50 -4.95 118.16 120.20 3hif n LYS 26 Ca 0.12 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.58 3hif n LYS 26 Cb 0.36 -2.18 -0.03 0.00 -0.51 0.00 0.00 35.03 32.67 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 -3.45 6.31 -0.18 4.39 1.04 -0.72 -4.69 113.70 116.40 3hif s SER 27 Ca 0.00 1.89 -0.12 0.00 0.48 0.00 0.00 55.95 58.20 3hif s SER 27 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 3hif s SER 27 CO 0.00 -0.80 0.20 -0.89 0.98 0.00 0.00 173.24 172.73 3hif s THR 28 N -2.08 5.37 -0.19 2.02 2.01 -1.26 -0.49 115.64 121.01 3hif s THR 28 Ca 0.66 0.35 -0.22 0.00 0.31 0.00 0.00 61.69 62.78 3hif s THR 28 Cb -0.16 -3.54 -0.20 0.00 0.01 0.00 0.00 72.50 68.62 3hif s THR 28 CO 0.22 0.42 0.31 -0.07 -0.69 0.00 0.00 174.62 174.81 3hif h LEU 29 N 6.66 0.00 -8.04 4.42 4.07 -1.51 -3.47 115.31 117.44 3hif h LEU 29 Ca -0.41 -0.58 -0.57 0.00 0.08 0.00 0.00 57.88 56.39 3hif h LEU 29 Cb 1.16 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 42.56 3hif h LEU 29 CO 0.76 1.37 -0.83 -0.63 -1.08 0.00 0.00 178.44 178.02 3hif s ILE 30 N -2.32 1.43 0.11 1.22 1.01 -1.01 -4.99 121.20 116.65 3hif s ILE 30 Ca -0.26 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 3hif s ILE 30 Cb 0.04 -1.30 -0.06 0.00 0.01 0.00 0.00 42.46 41.15 3hif s ILE 30 CO 0.59 0.42 0.48 -1.00 0.00 0.00 0.00 174.94 175.44 3hif s HIS 31 N 0.77 3.60 0.37 3.97 3.76 -1.26 -1.14 115.29 125.36 3hif s HIS 31 Ca -0.12 0.94 0.29 0.00 -0.15 0.00 0.00 55.06 56.03 3hif s HIS 31 Cb -0.16 -2.28 1.22 0.00 1.11 0.00 0.00 32.58 32.48 3hif s HIS 31 CO 0.02 0.48 1.23 0.94 -0.85 0.00 0.00 174.74 176.55 3hif n GLN 32 N 0.89 -0.02 -0.07 1.40 7.27 -1.26 -2.48 117.38 123.10 3hif n GLN 32 Ca -0.07 0.95 0.05 0.00 0.07 0.00 0.00 57.00 58.01 3hif n GLN 32 Cb 0.52 -1.95 0.09 0.00 2.41 0.00 0.00 30.24 31.31 3hif n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hif n GLY 33 N -1.48 0.94 3.41 1.69 0.00 -1.26 -3.49 105.19 104.99 3hif n GLY 33 Ca 0.33 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 0.56 0.33 -2.40 1.61 1.02 -1.04 -4.56 120.64 116.16 3hif n GLU 34 Ca 0.08 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.92 3hif n GLU 34 Cb 0.33 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 3hif n GLU 34 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3hif s LYS 35 N -1.26 3.40 0.24 3.49 2.20 -1.26 -3.41 119.74 123.15 3hif s LYS 35 Ca 0.62 0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 56.50 3hif s LYS 35 Cb -0.71 -4.08 -0.11 0.00 -1.51 0.00 0.00 37.83 31.42 3hif s LYS 35 CO 0.59 -1.80 1.65 0.00 -0.36 0.00 0.00 175.35 175.43 3hif s ALA 36 N 5.78 3.84 0.00 3.13 0.00 -1.13 -4.84 121.76 128.53 3hif s ALA 36 Ca 0.54 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.05 3hif s ALA 36 Cb -0.11 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3hif s ALA 36 CO 0.27 -0.93 0.18 0.39 0.00 0.00 0.00 175.76 175.68 3hif n GLU 37 N 3.22 0.00 -3.62 0.00 1.02 -1.26 -4.78 120.64 115.22 3hif n GLU 37 Ca 0.12 -0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 3hif n GLU 37 Cb 0.37 -0.19 -0.07 0.00 -0.02 0.00 0.00 31.44 31.53 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 -0.01 2.62 2.01 -1.26 -0.97 115.64 118.03 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 0.01 -0.11 -0.69 0.00 0.00 174.62 173.83 3hif n LEU 39 N 2.30 -2.10 -4.21 4.42 7.94 -0.87 -4.82 117.00 119.67 3hif n LEU 39 Ca -0.14 0.01 -0.28 0.00 -1.11 0.00 0.00 56.01 54.49 3hif n LEU 39 Cb 0.56 -1.04 -0.16 0.00 0.53 0.00 0.00 43.42 43.30 3hif n LEU 39 CO 0.05 -0.04 -0.53 -0.31 -1.11 0.00 0.00 177.39 175.46 3hif s TYR 40 N -1.74 1.96 -0.19 1.96 2.02 -0.23 -2.45 117.35 118.69 3hif s TYR 40 Ca 0.00 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 3hif s TYR 40 Cb -0.00 -1.29 0.03 0.00 -0.40 0.00 0.00 41.96 40.30 3hif s TYR 40 CO 0.01 -0.12 -0.18 -0.47 -1.57 0.00 0.00 175.55 173.22 3hif s TYR 41 N -0.24 2.82 -0.36 2.71 5.04 0.38 0.19 117.35 127.89 3hif s TYR 41 Ca 0.01 -1.73 -0.29 0.00 -2.44 0.00 0.00 57.07 52.63 3hif s TYR 41 Cb -0.11 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.31 3hif s TYR 41 CO 0.01 -0.81 1.34 0.42 -1.34 0.00 0.00 175.55 175.17 3hif s ILE 42 N 1.27 4.03 0.04 3.14 1.01 -0.38 -0.45 121.20 129.87 3hif s ILE 42 Ca 0.03 1.11 0.01 0.00 0.00 0.00 0.00 60.65 61.80 3hif s ILE 42 Cb -0.14 -4.21 -0.26 0.00 0.01 0.00 0.00 42.46 37.86 3hif s ILE 42 CO -0.12 -0.64 1.00 0.58 0.00 0.00 0.00 174.94 175.76 3hif h VAL 43 N 6.21 1.33 -2.39 2.92 2.07 -1.54 0.46 116.25 125.31 3hif h VAL 43 Ca -0.27 -2.99 -0.01 0.00 0.82 0.00 0.00 66.70 64.25 3hif h VAL 43 Cb 1.10 2.79 -0.16 0.00 -1.52 0.00 0.00 31.29 33.49 3hif h VAL 43 CO 1.06 0.84 0.27 -0.75 0.02 0.00 0.00 177.57 179.01 3hif s LYS 44 N -2.65 1.07 0.28 1.57 2.20 -1.07 -4.60 119.74 116.54 3hif s LYS 44 Ca -0.05 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 3hif s LYS 44 Cb 0.08 0.50 0.00 0.00 -1.51 0.00 0.00 37.83 36.90 3hif s LYS 44 CO 0.85 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.84 3hif n GLY 45 N 0.24 -2.35 3.24 5.54 0.00 -1.26 -2.60 105.19 108.00 3hif n GLY 45 Ca -0.16 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.48 1.85 0.19 1.61 1.04 -1.26 -2.59 113.70 112.07 3hif s SER 46 Ca 0.00 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.54 3hif s SER 46 Cb 0.00 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 3hif s SER 46 CO 0.00 -0.24 0.05 0.68 0.98 0.00 0.00 173.24 174.71 3hif s VAL 47 N -2.69 0.50 0.03 5.02 -7.23 -0.46 -2.33 120.40 113.24 3hif s VAL 47 Ca 0.12 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 3hif s VAL 47 Cb -0.02 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 3hif s VAL 47 CO 0.02 -0.30 -0.19 0.00 -0.31 0.00 0.00 175.10 174.32 3hif s ALA 48 N -3.79 1.61 -0.33 1.32 0.00 0.25 -1.45 121.76 119.38 3hif s ALA 48 Ca 0.29 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 3hif s ALA 48 Cb 0.07 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3hif s ALA 48 CO 0.07 0.36 0.14 0.08 0.00 0.00 0.00 175.76 176.41 3hif s VAL 49 N -0.74 4.35 0.06 0.00 1.01 -0.56 -0.86 120.40 123.67 3hif s VAL 49 Ca 0.06 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.43 3hif s VAL 49 Cb -0.08 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3hif s VAL 49 CO 0.01 -0.04 -0.16 -0.76 0.00 0.00 0.00 175.10 174.15 3hif s LEU 50 N 1.55 2.72 0.29 3.92 2.01 -1.11 0.23 118.68 128.29 3hif s LEU 50 Ca 0.03 -0.42 0.02 0.00 0.01 0.00 0.00 54.13 53.77 3hif s LEU 50 Cb -0.18 -1.58 -0.04 0.00 0.01 0.00 0.00 46.19 44.40 3hif s LEU 50 CO 0.05 0.23 0.14 0.27 1.01 0.00 0.00 176.35 178.05 3hif s ILE 51 N -1.00 0.39 -0.22 -0.59 -0.00 -0.75 -2.05 121.20 116.97 3hif s ILE 51 Ca 0.16 -2.00 -0.03 0.00 -0.00 0.00 0.00 60.65 58.78 3hif s ILE 51 Cb -0.11 -2.54 0.00 0.00 -0.00 0.00 0.00 42.46 39.81 3hif s ILE 51 CO 0.07 0.00 -0.06 -0.54 -0.00 0.00 0.00 174.94 174.41 3hif s LYS 52 N -3.89 3.23 0.53 0.37 1.02 -1.26 -0.70 119.74 119.03 3hif s LYS 52 Ca 0.36 -0.72 -0.09 0.00 0.02 0.00 0.00 55.97 55.54 3hif s LYS 52 Cb 0.06 -2.96 0.13 0.00 -0.52 0.00 0.00 37.83 34.53 3hif s LYS 52 CO 0.16 -0.24 0.60 -0.40 -0.92 0.00 0.00 175.35 174.55 3hif n ASP 53 N 4.76 -0.61 -4.75 2.83 3.85 -1.10 -4.81 116.55 116.71 3hif n ASP 53 Ca -0.18 -1.06 -0.41 0.00 -0.71 0.00 0.00 54.79 52.42 3hif n ASP 53 Cb 0.50 -0.49 -0.02 0.00 -1.35 0.00 0.00 41.12 39.75 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 -4.33 4.27 -0.12 0.11 2.02 -1.26 -1.06 118.70 118.33 3hif s GLU 54 Ca 0.36 2.31 0.00 0.00 0.02 0.00 0.00 54.97 57.66 3hif s GLU 54 Cb -0.02 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.12 3hif s GLU 54 CO 0.26 -0.39 0.00 0.39 0.02 0.00 0.00 175.26 175.54 3hif n GLU 55 N 1.93 -0.09 -1.65 1.61 -0.58 -1.26 -4.56 120.64 116.04 3hif n GLU 55 Ca 0.05 0.31 -0.07 0.00 -0.42 0.00 0.00 57.16 57.03 3hif n GLU 55 Cb 0.40 -3.87 -0.02 0.00 -0.57 0.00 0.00 31.44 27.38 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 -1.96 0.28 3.82 0.62 0.00 -0.22 -4.89 105.19 102.84 3hif n GLY 56 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3hif n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hif s LYS 57 N -3.45 4.21 0.18 1.61 1.02 -1.26 -4.81 119.74 117.23 3hif s LYS 57 Ca 0.00 0.79 -0.32 0.00 0.02 0.00 0.00 55.97 56.46 3hif s LYS 57 Cb 0.00 -2.97 -0.11 0.00 -0.52 0.00 0.00 37.83 34.23 3hif s LYS 57 CO 0.00 0.46 1.66 -1.21 -0.92 0.00 0.00 175.35 175.34 3hif s GLU 58 N -1.79 4.17 -0.11 1.68 2.02 -1.26 -2.71 118.70 120.69 3hif s GLU 58 Ca 0.39 2.48 0.01 0.00 0.02 0.00 0.00 54.97 57.88 3hif s GLU 58 Cb -0.17 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 30.90 3hif s GLU 58 CO 0.21 -0.70 -0.14 1.41 0.02 0.00 0.00 175.26 176.07 3hif s MET 59 N 1.36 2.08 -0.24 1.61 1.75 0.12 -4.96 119.30 121.03 3hif s MET 59 Ca 0.73 -0.50 -0.25 0.00 -1.25 0.00 0.00 55.69 54.42 3hif s MET 59 Cb -0.46 -1.84 -0.00 0.00 2.84 0.00 0.00 34.83 35.36 3hif s MET 59 CO 0.32 -0.12 0.84 0.42 -0.65 0.00 0.00 175.02 175.83 3hif s ILE 60 N 1.16 4.83 -0.04 10.11 1.01 -1.26 -1.81 121.20 135.21 3hif s ILE 60 Ca -0.03 1.59 -0.04 0.00 0.00 0.00 0.00 60.65 62.17 3hif s ILE 60 Cb -0.14 -4.13 -0.27 0.00 0.01 0.00 0.00 42.46 37.93 3hif s ILE 60 CO -0.04 -0.08 0.69 -0.07 0.00 0.00 0.00 174.94 175.45 3hif h LEU 61 N 9.17 0.40 -7.00 2.97 3.38 -0.60 -3.49 115.31 120.14 3hif h LEU 61 Ca -0.23 -0.65 0.18 0.00 0.09 0.00 0.00 57.88 57.27 3hif h LEU 61 Cb 1.09 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.53 3hif h LEU 61 CO 0.88 1.55 0.65 -0.55 0.09 0.00 0.00 178.44 181.07 3hif s SER 62 N -6.95 -0.25 -0.13 -0.43 0.15 -1.24 -4.99 113.70 99.85 3hif s SER 62 Ca -0.13 0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.54 3hif s SER 62 Cb 0.07 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 3hif s SER 62 CO 0.83 -0.41 -0.08 -0.31 1.20 0.00 0.00 173.24 174.47 3hif s TYR 63 N -2.60 2.92 -0.12 3.44 2.02 -1.26 -1.49 117.35 120.26 3hif s TYR 63 Ca 0.07 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3hif s TYR 63 Cb -0.01 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 3hif s TYR 63 CO -0.06 -0.02 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.25 3hif s LEU 64 N 0.10 2.68 0.48 -1.29 1.43 -0.53 -4.96 118.68 116.59 3hif s LEU 64 Ca -0.03 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3hif s LEU 64 Cb -0.14 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 3hif s LEU 64 CO 0.04 0.19 0.28 0.20 0.23 0.00 0.00 176.35 177.29 3hif s ASN 65 N 0.18 4.56 0.06 2.29 0.01 -1.26 -1.36 114.94 119.42 3hif s ASN 65 Ca -0.08 -1.17 -0.38 0.00 -0.71 0.00 0.00 52.86 50.52 3hif s ASN 65 Cb -0.15 0.02 -0.18 0.00 0.41 0.00 0.00 41.25 41.34 3hif s ASN 65 CO 0.05 -0.84 1.13 1.67 -1.51 0.00 0.00 177.10 177.60 3hif n GLN 66 N -1.51 0.48 0.00 -0.60 7.27 -1.07 -1.39 117.38 120.57 3hif n GLN 66 Ca -0.03 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.22 3hif n GLN 66 Cb 0.64 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.60 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 1.91 2.21 3.91 1.69 0.00 0.16 -5.00 105.19 110.07 3hif n GLY 67 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.47 6.01 0.37 1.61 1.11 -0.48 -4.84 116.67 118.98 3hif s ASP 68 Ca 0.00 0.84 0.08 0.00 0.18 0.00 0.00 52.55 53.65 3hif s ASP 68 Cb 0.00 -2.04 -0.02 0.00 1.07 0.00 0.00 42.92 41.93 3hif s ASP 68 CO 0.00 -0.76 0.37 -0.36 1.18 0.00 0.00 175.17 175.60 3hif s PHE 69 N -2.83 2.84 -0.08 4.23 2.99 -1.26 -1.25 117.98 122.62 3hif s PHE 69 Ca 0.50 -0.38 -0.01 0.00 0.00 0.00 0.00 56.93 57.04 3hif s PHE 69 Cb -0.10 -2.01 0.03 0.00 0.00 0.00 0.00 43.02 40.93 3hif s PHE 69 CO 0.45 -0.01 -0.01 -1.50 -0.00 0.00 0.00 175.22 174.16 3hif s ILE 70 N -2.36 0.45 -0.51 0.64 1.10 0.51 -4.85 121.20 116.18 3hif s ILE 70 Ca 0.45 0.06 -0.03 0.00 -0.51 0.00 0.00 60.65 60.62 3hif s ILE 70 Cb -0.06 -0.60 0.00 0.00 0.15 0.00 0.00 42.46 41.95 3hif s ILE 70 CO 0.28 0.26 0.44 0.61 -2.11 0.00 0.00 174.94 174.42 3hif n GLY 71 N 5.12 0.39 3.68 1.50 0.00 -1.26 -1.06 105.19 113.56 3hif n GLY 71 Ca -0.08 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3hif n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hif s GLU 72 N -5.47 -0.21 0.00 1.61 8.01 -1.26 -2.96 118.70 118.42 3hif s GLU 72 Ca 0.22 0.12 0.00 0.00 0.01 0.00 0.00 54.97 55.32 3hif s GLU 72 Cb -0.10 -1.70 0.00 0.00 -4.31 0.00 0.00 34.13 28.03 3hif s GLU 72 CO 0.27 -3.07 0.00 1.28 0.01 0.00 0.00 175.26 173.75 3hif n LEU 73 N -4.34 0.00 -0.12 1.80 4.77 -1.26 -4.75 117.00 113.10 3hif n LEU 73 Ca 0.10 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 3hif n LEU 73 Cb 0.59 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 3hif n LEU 73 CO 0.51 0.00 0.05 0.61 -1.33 0.00 0.00 177.39 177.23 3hif n GLY 74 N -2.00 -0.44 0.11 -0.72 0.00 -1.24 -3.92 105.19 96.98 3hif n GLY 74 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3hif n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hif h LEU 75 N 0.57 0.00 -2.90 0.99 5.85 -1.85 -3.34 115.31 114.62 3hif h LEU 75 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hif h LEU 75 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3hif h LEU 75 CO 0.00 0.58 0.00 0.49 -0.34 0.00 0.00 178.44 179.17 3hif n PHE 76 N -3.01 0.58 -3.33 1.25 3.72 -1.26 -4.75 117.46 110.66 3hif n PHE 76 Ca -0.06 -0.53 -0.26 0.00 -0.05 0.00 0.00 57.45 56.56 3hif n PHE 76 Cb 0.82 -0.05 -0.09 0.00 -0.94 0.00 0.00 39.48 39.22 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 0.59 0.31 -0.89 -1.08 -0.58 -1.25 -5.08 120.64 112.67 3hif n GLU 77 Ca 0.14 -3.15 -0.28 0.00 -0.42 0.00 0.00 57.16 53.45 3hif n GLU 77 Cb 0.49 -1.56 0.01 0.00 -0.57 0.00 0.00 31.44 29.82 3hif n GLU 77 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3hif n GLU 78 N 2.50 0.00 0.00 3.49 4.07 -1.26 -0.73 120.64 128.71 3hif n GLU 78 Ca 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 3hif n GLU 78 Cb 0.49 -0.74 0.00 0.00 -0.06 0.00 0.00 31.44 31.14 3hif n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hif n GLY 79 N 1.97 0.12 0.00 8.31 0.00 -1.26 -4.86 105.19 109.47 3hif n GLY 79 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3hif n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hif n GLN 80 N 0.00 0.00 -0.04 1.61 7.27 0.09 -4.33 117.38 121.98 3hif n GLN 80 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3hif n GLN 80 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3hif n GLN 80 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3hif n GLU 81 N 0.00 2.24 -2.58 3.69 1.02 -1.26 -2.85 120.64 120.89 3hif n GLU 81 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3hif n GLU 81 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 3hif n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hif n ARG 82 N -0.06 3.42 -1.00 3.49 1.74 -1.22 -4.70 116.66 118.33 3hif n ARG 82 Ca 0.00 -4.55 -0.17 0.00 -0.77 0.00 0.00 57.85 52.36 3hif n ARG 82 Cb 0.00 -2.26 -0.14 0.00 -1.02 0.00 0.00 32.46 29.04 3hif n ARG 82 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hif n SER 83 N -0.39 -0.76 0.00 0.55 7.64 -1.24 -4.00 113.62 115.42 3hif n SER 83 Ca 0.38 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3hif n SER 83 Cb 0.52 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 4.30 0.00 -2.60 -0.43 0.00 -1.26 -5.04 120.51 115.48 3hif n ALA 84 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.57 3hif n ALA 84 Cb 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 3hif n ALA 84 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3hif s TRP 85 N -0.02 2.91 0.03 0.00 -0.00 -0.87 -4.73 118.94 116.27 3hif s TRP 85 Ca 0.00 -0.02 -0.29 0.00 -0.00 0.00 0.00 56.10 55.79 3hif s TRP 85 Cb 0.00 -1.63 -0.04 0.00 -0.00 0.00 0.00 33.47 31.80 3hif s TRP 85 CO 0.00 0.38 0.93 0.08 -0.00 0.00 0.00 176.95 178.33 3hif s VAL 86 N -0.98 4.76 0.01 -0.66 1.01 -0.29 -2.76 120.40 121.49 3hif s VAL 86 Ca 0.17 1.96 0.02 0.00 0.00 0.00 0.00 61.98 64.12 3hif s VAL 86 Cb -0.11 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 3hif s VAL 86 CO 0.07 0.24 -0.06 -0.60 0.00 0.00 0.00 175.10 174.75 3hif s ARG 87 N 0.59 0.42 0.30 2.72 3.52 -0.04 -1.19 118.95 125.27 3hif s ARG 87 Ca 0.48 -0.41 -0.28 0.00 -0.13 0.00 0.00 55.73 55.39 3hif s ARG 87 Cb -0.21 -0.30 -0.09 0.00 -1.56 0.00 0.00 34.95 32.78 3hif s ARG 87 CO 0.27 0.07 1.06 0.00 -0.81 0.00 0.00 175.30 175.90 3hif s ALA 88 N -0.66 3.32 -0.18 6.12 0.00 0.36 0.87 121.76 131.59 3hif s ALA 88 Ca -0.04 0.81 0.09 0.00 0.00 0.00 0.00 51.96 52.83 3hif s ALA 88 Cb -0.05 -3.30 -0.17 0.00 0.00 0.00 0.00 23.12 19.60 3hif s ALA 88 CO -0.00 -0.12 -0.04 1.17 0.00 0.00 0.00 175.76 176.78 3hif n LYS 89 N 0.94 1.05 -4.24 0.00 4.81 -0.98 -0.37 118.16 119.37 3hif n LYS 89 Ca 0.00 0.04 -0.18 0.00 -0.87 0.00 0.00 58.31 57.30 3hif n LYS 89 Cb 0.46 -1.41 -0.13 0.00 0.02 0.00 0.00 35.03 33.98 3hif n LYS 89 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3hif s THR 90 N -2.40 1.02 -0.34 3.15 -4.23 -1.17 -4.36 115.64 107.31 3hif s THR 90 Ca -0.16 -1.10 -0.35 0.00 -1.18 0.00 0.00 61.69 58.90 3hif s THR 90 Cb 0.06 -0.96 -0.11 0.00 1.34 0.00 0.00 72.50 72.82 3hif s THR 90 CO 0.59 -0.13 2.19 0.00 -0.54 0.00 0.00 174.62 176.72 3hif n ALA 91 N 1.64 1.09 -2.65 3.99 0.00 -1.26 -4.32 120.51 119.00 3hif n ALA 91 Ca -0.20 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 3hif n ALA 91 Cb 0.55 -2.55 -0.11 0.00 0.00 0.00 0.00 19.45 17.33 3hif n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hif s GLU 93 N -2.20 4.24 -0.03 0.00 2.02 -1.07 -0.42 118.70 121.23 3hif s GLU 93 Ca -0.02 0.02 0.03 0.00 0.02 0.00 0.00 54.97 55.01 3hif s GLU 93 Cb -0.06 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.74 3hif s GLU 93 CO -0.00 0.24 -0.10 0.08 0.02 0.00 0.00 175.26 175.50 3hif s VAL 94 N 0.48 0.87 -0.01 2.63 1.01 -0.08 -1.35 120.40 123.95 3hif s VAL 94 Ca 0.14 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 3hif s VAL 94 Cb -0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3hif s VAL 94 CO 0.02 0.27 0.23 0.00 0.00 0.00 0.00 175.10 175.63 3hif s ALA 95 N 0.26 3.88 0.01 5.51 0.00 0.41 -1.64 121.76 130.18 3hif s ALA 95 Ca -0.05 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3hif s ALA 95 Cb -0.10 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 3hif s ALA 95 CO 0.01 0.67 -0.03 -1.83 0.00 0.00 0.00 175.76 174.58 3hif s GLU 96 N -1.73 0.26 -0.01 0.00 -1.05 -0.95 0.15 118.70 115.38 3hif s GLU 96 Ca 0.26 -0.34 -0.00 0.00 -0.15 0.00 0.00 54.97 54.74 3hif s GLU 96 Cb -0.13 -0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.47 3hif s GLU 96 CO 0.15 0.01 0.01 -1.50 0.95 0.00 0.00 175.26 174.89 3hif s ILE 97 N -0.69 -0.01 0.25 1.83 2.07 -1.02 -2.06 121.20 121.57 3hif s ILE 97 Ca -0.06 0.03 -0.28 0.00 -1.41 0.00 0.00 60.65 58.93 3hif s ILE 97 Cb -0.05 -0.03 -0.15 0.00 0.13 0.00 0.00 42.46 42.36 3hif s ILE 97 CO -0.00 0.01 0.84 -0.24 -1.91 0.00 0.00 174.94 173.64 3hif n SER 98 N 3.23 0.35 -0.30 4.50 2.88 -1.26 -4.58 113.62 118.44 3hif n SER 98 Ca -0.14 1.16 -0.04 0.00 -1.33 0.00 0.00 58.87 58.51 3hif n SER 98 Cb 0.59 -1.16 0.07 0.00 -0.75 0.00 0.00 64.21 62.96 3hif n SER 98 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3hif h TYR 99 N 1.68 1.10 -0.60 0.66 0.99 -1.43 -0.52 116.97 118.85 3hif h TYR 99 Ca -0.35 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.39 3hif h TYR 99 Cb 1.38 -0.36 -0.04 0.00 1.00 0.00 0.00 36.73 38.71 3hif h TYR 99 CO 0.46 0.74 0.37 -0.22 -0.00 0.00 0.00 178.16 179.51 3hif h LYS 100 N 1.14 0.72 -0.03 4.88 1.63 -1.87 -1.29 116.57 121.75 3hif h LYS 100 Ca 0.30 -0.04 -0.24 0.00 -0.85 0.00 0.00 60.65 59.81 3hif h LYS 100 Cb -0.03 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 31.45 3hif h LYS 100 CO -0.05 0.48 -0.94 -0.22 -3.45 0.00 0.00 179.45 175.26 3hif h LYS 101 N 0.74 0.58 -0.77 1.90 3.64 -1.86 -3.17 116.57 117.63 3hif h LYS 101 Ca 0.24 -0.59 0.09 0.00 -1.27 0.00 0.00 60.65 59.12 3hif h LYS 101 Cb -0.00 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 3hif h LYS 101 CO -0.09 1.20 0.43 0.35 -2.27 0.00 0.00 179.45 179.07 3hif h PHE 102 N 0.35 0.77 0.00 1.91 3.57 -0.81 0.38 116.94 123.11 3hif h PHE 102 Ca -0.09 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3hif h PHE 102 Cb 1.58 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 3hif h PHE 102 CO 0.08 0.32 -0.01 0.00 -2.23 0.00 0.00 178.31 176.46 3hif h ARG 103 N 0.73 0.00 0.05 1.11 3.08 -1.21 -1.53 114.38 116.60 3hif h ARG 103 Ca 0.37 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.23 3hif h ARG 103 Cb 0.33 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.40 3hif h ARG 103 CO -0.24 0.01 -0.78 1.96 -1.07 0.00 0.00 179.97 179.86 3hif h GLN 104 N 0.00 0.44 -0.61 0.04 4.20 -0.97 -3.28 115.11 114.93 3hif h GLN 104 Ca -0.00 -0.54 0.11 0.00 0.06 0.00 0.00 58.65 58.28 3hif h GLN 104 Cb 0.03 0.17 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 3hif h GLN 104 CO 0.00 1.19 0.16 -0.07 -0.67 0.00 0.00 178.83 179.45 3hif h LEU 105 N -0.07 0.07 -1.29 1.46 3.38 -0.51 -1.40 115.31 116.95 3hif h LEU 105 Ca -0.11 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3hif h LEU 105 Cb 1.50 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 3hif h LEU 105 CO 0.15 0.04 0.60 0.40 0.09 0.00 0.00 178.44 179.72 3hif h ILE 106 N 0.30 0.73 -0.11 1.22 2.04 -1.45 0.14 117.51 120.38 3hif h ILE 106 Ca 0.32 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3hif h ILE 106 Cb 0.46 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3hif h ILE 106 CO -0.38 0.11 0.01 1.56 0.00 0.00 0.00 178.15 179.45 3hif h GLN 107 N 0.60 0.19 0.75 2.37 1.08 -1.32 -2.38 115.11 116.40 3hif h GLN 107 Ca 0.50 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.61 3hif h GLN 107 Cb 0.97 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.38 3hif h GLN 107 CO -0.25 0.41 -0.37 0.28 -0.95 0.00 0.00 178.83 177.95 3hif h VAL 108 N -0.06 0.24 -1.61 -0.54 2.07 -0.51 -3.40 116.25 112.44 3hif h VAL 108 Ca 0.03 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.23 3hif h VAL 108 Cb 0.32 0.24 -0.26 0.00 -1.52 0.00 0.00 31.29 30.06 3hif h VAL 108 CO 0.00 0.00 -0.68 0.20 0.02 0.00 0.00 177.57 177.11 3hif s ASN 109 N -4.30 -0.07 0.00 0.57 0.01 -0.24 -5.00 114.94 105.90 3hif s ASN 109 Ca -0.18 -2.09 0.00 0.00 -0.71 0.00 0.00 52.86 49.87 3hif s ASN 109 Cb 0.03 0.91 0.00 0.00 0.41 0.00 0.00 41.25 42.60 3hif s ASN 109 CO 0.62 -0.13 0.01 -0.81 -1.51 0.00 0.00 177.10 175.28 3hif n PRO 110 N 3.22 0.00 -0.04 -0.60 -0.04 -0.89 -3.44 135.00 133.21 3hif n PRO 110 Ca 0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.53 3hif n PRO 110 Cb 0.52 -1.08 -0.11 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.00 -0.50 3.54 3.58 -1.92 -3.20 116.42 117.93 3hif h ASP 111 Ca 0.00 -0.74 0.10 0.00 0.42 0.00 0.00 57.03 56.81 3hif h ASP 111 Cb 0.00 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 40.96 3hif h ASP 111 CO 0.00 0.74 -0.09 -0.29 -2.88 0.00 0.00 179.24 176.72 3hif h ILE 112 N -0.74 0.53 -1.11 2.25 6.09 -1.96 0.86 117.51 123.42 3hif h ILE 112 Ca -0.00 -0.01 0.33 0.00 -1.37 0.00 0.00 64.86 63.81 3hif h ILE 112 Cb 0.74 0.50 -0.12 0.00 0.47 0.00 0.00 36.82 38.41 3hif h ILE 112 CO 0.00 0.01 0.69 0.25 -3.07 0.00 0.00 178.15 176.03 3hif h LEU 113 N 0.03 0.42 -0.11 2.19 5.85 -1.83 0.46 115.31 122.31 3hif h LEU 113 Ca 0.24 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 3hif h LEU 113 Cb 0.37 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3hif h LEU 113 CO -0.49 -0.05 0.06 0.24 -0.34 0.00 0.00 178.44 177.86 3hif h MET 114 N 0.30 0.15 0.00 1.25 2.86 0.75 -0.19 114.93 120.05 3hif h MET 114 Ca 0.70 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.32 3hif h MET 114 Cb 1.84 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.47 3hif h MET 114 CO -0.42 0.19 0.00 0.54 1.06 0.00 0.00 176.91 178.28 3hif n ARG 115 N -4.96 0.00 -0.29 1.72 3.00 0.16 -0.18 116.66 116.11 3hif n ARG 115 Ca -0.05 0.46 0.04 0.00 -0.01 0.00 0.00 57.85 58.29 3hif n ARG 115 Cb 0.07 -1.28 0.13 0.00 0.00 0.00 0.00 32.46 31.38 3hif n ARG 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3hif h LEU 116 N 0.00 -0.67 -0.93 0.55 6.46 -1.54 6.87 115.31 126.06 3hif h LEU 116 Ca 0.00 0.24 0.26 0.00 -0.12 0.00 0.00 57.88 58.26 3hif h LEU 116 Cb 0.00 0.48 -0.14 0.00 -0.73 0.00 0.00 40.66 40.27 3hif h LEU 116 CO 0.00 -0.26 0.40 -1.28 -0.62 0.00 0.00 178.44 176.67 3hif h SER 117 N 0.02 0.28 0.00 1.25 0.87 -0.82 -3.35 113.55 111.81 3hif h SER 117 Ca 0.42 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 3hif h SER 117 Cb 0.68 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3hif h SER 117 CO -0.82 -0.09 0.00 0.00 -0.53 0.00 0.00 176.83 175.39 3hif n ALA 118 N -2.50 0.00 0.00 6.23 0.00 2.21 -3.73 120.51 122.72 3hif n ALA 118 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3hif n ALA 118 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.22 3hif n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hif n GLN 119 N 0.00 0.00 0.00 0.00 10.64 -1.22 0.91 117.38 127.71 3hif n GLN 119 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3hif n GLN 119 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3hif n GLN 119 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 3hif n MET 120 N 0.00 0.00 -0.33 2.61 2.81 -1.26 0.47 117.12 121.43 3hif n MET 120 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.84 3hif n MET 120 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 3hif n MET 120 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hif h ALA 121 N 0.00 -0.08 0.00 3.04 0.00 0.45 4.57 119.26 127.24 3hif h ALA 121 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hif h ALA 121 Cb 0.00 1.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hif h ALA 121 CO 0.00 -0.73 -0.06 -0.09 0.00 0.00 0.00 179.25 178.38 3hif h ARG 122 N -0.07 0.00 0.00 0.00 2.43 0.86 0.63 114.38 118.24 3hif h ARG 122 Ca 0.27 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3hif h ARG 122 Cb 0.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3hif h ARG 122 CO -0.88 0.06 -0.40 0.00 -1.51 0.00 0.00 179.97 177.24 3hif h ARG 123 N 0.00 0.00 0.11 0.20 3.08 3.73 -3.26 114.38 118.24 3hif h ARG 123 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3hif h ARG 123 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3hif h ARG 123 CO 0.01 0.40 -1.93 -0.07 -1.07 0.00 0.00 179.97 177.30 3hif h LEU 124 N 0.00 0.36 0.00 3.04 3.38 0.68 -3.34 115.31 119.43 3hif h LEU 124 Ca -0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3hif h LEU 124 Cb 1.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3hif h LEU 124 CO 0.05 1.71 0.05 1.67 0.09 0.00 0.00 178.44 182.01 3hif n GLN 125 N -3.42 0.00 -0.01 1.13 7.27 0.20 -0.19 117.38 122.36 3hif n GLN 125 Ca -0.29 0.19 0.05 0.00 0.07 0.00 0.00 57.00 57.02 3hif n GLN 125 Cb 1.05 -1.55 -0.10 0.00 2.41 0.00 0.00 30.24 32.05 3hif n GLN 125 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3hif n VAL 126 N -1.14 0.12 -4.04 1.69 0.31 -1.24 -4.87 118.33 109.16 3hif n VAL 126 Ca 0.00 -0.33 -0.33 0.00 -0.01 0.00 0.00 64.34 63.67 3hif n VAL 126 Cb 0.05 0.07 -0.15 0.00 -0.91 0.00 0.00 33.84 32.90 3hif n VAL 126 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3hif s THR 127 N -2.82 2.34 -3.26 2.52 -1.32 0.74 -4.96 115.64 108.88 3hif s THR 127 Ca -0.05 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.87 3hif s THR 127 Cb 0.08 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 3hif s THR 127 CO 0.54 -0.02 0.00 -0.24 -2.21 0.00 0.00 174.62 172.68 3hif n SER 128 N 4.48 0.00 -3.91 8.08 2.88 -1.26 -4.80 113.62 119.09 3hif n SER 128 Ca -0.14 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.15 3hif n SER 128 Cb 0.43 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.90 3hif n SER 128 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hif n GLU 129 N 0.00 -0.61 0.00 -1.46 1.02 -1.26 -5.15 120.64 113.18 3hif n GLU 129 Ca 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 3hif n GLU 129 Cb 0.00 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 3hif n GLU 129 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hif n LYS 130 N -3.07 0.00 -3.54 3.49 3.00 -1.26 -5.17 118.16 111.61 3hif n LYS 130 Ca -0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.12 3hif n LYS 130 Cb 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.27 3hif n LYS 130 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3hif n ASN 133 N 0.00 -0.49 0.03 3.14 6.94 -1.26 -5.15 115.26 118.47 3hif n ASN 133 Ca 0.00 -2.51 -0.10 0.00 -0.02 0.00 0.00 54.58 51.95 3hif n ASN 133 Cb 0.00 1.16 -0.04 0.00 -2.36 0.00 0.00 39.78 38.54 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 -0.53 -1.46 -4.53 3.38 -2.06 0.73 115.31 110.85 3hif h LEU 134 Ca -0.16 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.01 3hif h LEU 134 Cb 0.83 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3hif h LEU 134 CO 0.24 -0.23 0.50 0.00 0.09 0.00 0.00 178.44 179.04 3hif h ALA 135 N 0.72 1.92 -0.10 1.53 0.00 -2.07 -1.44 119.26 119.83 3hif h ALA 135 Ca 0.08 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3hif h ALA 135 Cb 0.36 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hif h ALA 135 CO -0.21 -0.10 -0.47 0.35 0.00 0.00 0.00 179.25 178.82 3hif h PHE 136 N 0.57 0.66 0.00 0.00 3.57 -1.76 -3.23 116.94 116.76 3hif h PHE 136 Ca 0.36 -0.29 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 3hif h PHE 136 Cb 0.62 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3hif h PHE 136 CO -0.00 1.06 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.89 3hif h LEU 137 N 0.07 0.00 0.08 0.59 3.38 -0.14 -2.32 115.31 116.97 3hif h LEU 137 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hif h LEU 137 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hif h LEU 137 CO 0.10 0.17 -0.04 -0.78 0.09 0.00 0.00 178.44 177.98 3hif h ASP 138 N 0.00 -0.09 -0.56 -0.43 -0.00 -1.31 -1.15 116.42 112.89 3hif h ASP 138 Ca -0.00 -0.21 -0.04 0.00 -0.00 0.00 0.00 57.03 56.78 3hif h ASP 138 Cb 0.37 0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.70 3hif h ASP 138 CO 0.02 0.16 0.23 0.58 -0.00 0.00 0.00 179.24 180.23 3hif h VAL 139 N -0.34 1.22 -0.52 2.25 2.07 -1.55 -1.60 116.25 117.78 3hif h VAL 139 Ca -0.01 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3hif h VAL 139 Cb 0.29 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3hif h VAL 139 CO 0.02 0.27 0.18 0.74 0.02 0.00 0.00 177.57 178.80 3hif h THR 140 N 0.86 1.20 -0.31 2.57 2.02 -1.25 -0.74 112.91 117.26 3hif h THR 140 Ca 0.20 -0.66 -0.16 0.00 0.77 0.00 0.00 66.41 66.57 3hif h THR 140 Cb 0.18 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3hif h THR 140 CO -0.02 0.25 -0.43 1.23 0.37 0.00 0.00 175.52 176.93 3hif h GLY 141 N 0.90 0.85 0.81 2.16 0.00 -0.54 -2.84 103.07 104.41 3hif h GLY 141 Ca 0.18 -0.89 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 3hif h GLY 141 CO -0.01 0.80 -0.14 3.21 0.00 0.00 0.00 176.54 180.40 3hif h ARG 142 N 0.63 0.44 -0.66 4.80 3.08 -0.81 -2.74 114.38 119.12 3hif h ARG 142 Ca 0.04 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 3hif h ARG 142 Cb 0.99 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 3hif h ARG 142 CO 0.09 0.76 0.15 0.82 -1.07 0.00 0.00 179.97 180.72 3hif h ILE 143 N 0.12 1.26 -0.75 2.04 2.04 -1.22 -1.50 117.51 119.49 3hif h ILE 143 Ca 0.04 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3hif h ILE 143 Cb 0.65 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3hif h ILE 143 CO 0.04 0.36 0.48 0.00 0.00 0.00 0.00 178.15 179.03 3hif h ALA 144 N 1.16 1.43 -0.29 1.87 0.00 -1.52 -2.35 119.26 119.56 3hif h ALA 144 Ca 0.21 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3hif h ALA 144 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hif h ALA 144 CO 0.00 0.51 -0.08 0.37 0.00 0.00 0.00 179.25 180.06 3hif h GLN 145 N 1.02 0.57 -0.51 0.00 4.15 -1.07 -1.28 115.11 117.99 3hif h GLN 145 Ca 0.27 -0.22 0.06 0.00 0.77 0.00 0.00 58.65 59.53 3hif h GLN 145 Cb -0.09 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.52 3hif h GLN 145 CO -0.06 0.77 0.21 1.15 -1.93 0.00 0.00 178.83 178.97 3hif h THR 146 N 0.33 0.87 -0.41 2.39 2.02 -0.92 0.13 112.91 117.33 3hif h THR 146 Ca 0.07 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 66.98 3hif h THR 146 Cb 0.57 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3hif h THR 146 CO 0.03 0.07 -0.27 -0.07 0.37 0.00 0.00 175.52 175.65 3hif h LEU 147 N 0.41 0.91 -0.65 2.58 3.38 -1.41 -1.92 115.31 118.60 3hif h LEU 147 Ca 0.24 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3hif h LEU 147 Cb 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3hif h LEU 147 CO -0.21 1.12 0.36 0.25 0.09 0.00 0.00 178.44 180.04 3hif h LEU 148 N 0.75 0.81 -0.31 1.67 6.46 -0.44 -2.76 115.31 121.49 3hif h LEU 148 Ca 0.09 -0.09 -0.17 0.00 -0.12 0.00 0.00 57.88 57.58 3hif h LEU 148 Cb 0.82 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.55 3hif h LEU 148 CO 0.07 0.67 -0.49 0.78 -0.62 0.00 0.00 178.44 178.86 3hif h ASN 149 N 0.89 0.96 0.30 1.25 -0.26 -0.66 -3.18 115.58 114.87 3hif h ASN 149 Ca 0.23 -0.52 -0.04 0.00 -0.56 0.00 0.00 56.30 55.41 3hif h ASN 149 Cb 0.04 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 3hif h ASN 149 CO -0.04 1.29 -0.19 -0.07 -1.06 0.00 0.00 177.43 177.36 3hif h LEU 150 N 0.65 0.00 -1.47 1.61 3.38 -1.25 -1.81 115.31 116.43 3hif h LEU 150 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3hif h LEU 150 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3hif h LEU 150 CO 0.11 0.19 -0.11 0.00 0.09 0.00 0.00 178.44 178.72 3hif h ALA 151 N 1.81 1.05 -0.01 1.53 0.00 -1.47 -2.24 119.26 119.93 3hif h ALA 151 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hif h ALA 151 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hif h ALA 151 CO 0.02 0.13 -0.23 1.63 0.00 0.00 0.00 179.25 180.81 3hif n LYS 152 N -3.29 1.04 -2.31 0.00 5.02 -0.69 -4.82 118.16 113.10 3hif n LYS 152 Ca -0.00 -0.65 -0.34 0.00 -2.02 0.00 0.00 58.31 55.30 3hif n LYS 152 Cb 0.33 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.40 3.53 0.55 1.97 -1.52 -0.84 -4.94 119.66 116.00 3hif s GLN 153 Ca 0.26 1.38 0.29 0.00 -1.95 0.00 0.00 55.36 55.34 3hif s GLN 153 Cb 0.19 -2.05 1.62 0.00 -0.22 0.00 0.00 33.01 32.55 3hif s GLN 153 CO 0.49 -0.66 2.15 -1.35 -0.25 0.00 0.00 175.29 175.66 3hif h PRO 154 N 1.12 0.00 -0.76 2.91 0.11 -1.91 -2.41 132.00 131.06 3hif h PRO 154 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hif h PRO 154 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hif h PRO 154 CO 0.58 0.07 0.01 -0.40 -0.21 0.00 0.00 178.00 178.05 3hif n ASP 155 N -3.68 3.81 -4.85 -2.05 5.68 -1.26 -4.91 116.55 109.29 3hif n ASP 155 Ca -0.02 -2.56 -0.34 0.00 -0.50 0.00 0.00 54.79 51.37 3hif n ASP 155 Cb 0.18 -0.61 -0.06 0.00 -1.14 0.00 0.00 41.12 39.49 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 -2.05 3.52 0.14 2.12 0.00 -0.91 -4.85 121.76 119.73 3hif s ALA 156 Ca 0.32 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 3hif s ALA 156 Cb 0.25 -2.58 -0.06 0.00 0.00 0.00 0.00 23.12 20.73 3hif s ALA 156 CO 0.09 0.43 0.45 -1.64 0.00 0.00 0.00 175.76 175.10 3hif s MET 157 N -2.26 3.78 -0.19 0.00 -1.94 0.62 -4.91 119.30 114.39 3hif s MET 157 Ca 0.42 0.19 -0.23 0.00 -1.71 0.00 0.00 55.69 54.37 3hif s MET 157 Cb -0.14 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.81 3hif s MET 157 CO 0.20 0.47 0.73 0.99 -0.01 0.00 0.00 175.02 177.40 3hif s THR 158 N -1.56 4.95 -0.01 2.05 2.01 -1.26 -0.13 115.64 121.68 3hif s THR 158 Ca 0.39 1.40 0.08 0.00 0.31 0.00 0.00 61.69 63.86 3hif s THR 158 Cb -0.13 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 3hif s THR 158 CO 0.20 0.06 -0.25 -2.28 -0.69 0.00 0.00 174.62 171.66 3hif s HIS 159 N 2.11 2.36 0.57 4.92 5.04 0.70 -4.86 115.29 126.13 3hif s HIS 159 Ca 0.33 -0.41 0.34 0.00 -1.54 0.00 0.00 55.06 53.78 3hif s HIS 159 Cb -0.16 -1.50 1.43 0.00 0.04 0.00 0.00 32.58 32.39 3hif s HIS 159 CO 0.11 -0.00 1.71 -1.35 -2.34 0.00 0.00 174.74 172.86 3hif h PRO 160 N 5.39 0.00 0.00 2.88 0.11 -2.00 0.30 132.00 138.68 3hif h PRO 160 Ca -0.44 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.50 3hif h PRO 160 Cb 1.13 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3hif h PRO 160 CO 0.47 0.00 -1.82 -0.25 -0.21 0.00 0.00 178.00 176.19 3hif n ASP 161 N -3.84 0.39 0.00 -2.05 10.43 -1.26 -5.05 116.55 115.17 3hif n ASP 161 Ca 0.23 0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.76 3hif n ASP 161 Cb 1.23 0.90 0.00 0.00 1.84 0.00 0.00 41.12 45.09 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 1.45 -0.23 3.26 0.44 0.00 0.10 -1.34 105.19 108.88 3hif n GLY 162 Ca -0.14 0.45 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 2.05 -0.16 1.61 -1.94 -0.86 -0.22 119.30 119.79 3hif s MET 163 Ca 0.00 -0.84 -0.04 0.00 -1.71 0.00 0.00 55.69 53.10 3hif s MET 163 Cb 0.00 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.91 3hif s MET 163 CO 0.00 0.46 -0.03 -1.14 -0.01 0.00 0.00 175.02 174.30 3hif s GLN 164 N -0.42 3.68 0.39 2.03 0.74 0.82 -0.11 119.66 126.79 3hif s GLN 164 Ca 0.05 -0.51 0.08 0.00 0.05 0.00 0.00 55.36 55.03 3hif s GLN 164 Cb -0.10 -2.93 -0.08 0.00 1.10 0.00 0.00 33.01 31.00 3hif s GLN 164 CO 0.00 0.24 -0.02 0.96 -0.55 0.00 0.00 175.29 175.93 3hif s ILE 165 N 0.37 2.07 -0.19 -2.34 -5.25 0.15 -0.27 121.20 115.74 3hif s ILE 165 Ca -0.04 -2.05 0.01 0.00 -0.99 0.00 0.00 60.65 57.58 3hif s ILE 165 Cb -0.14 -2.90 0.03 0.00 2.95 0.00 0.00 42.46 42.40 3hif s ILE 165 CO 0.03 -0.05 -0.13 -0.75 -1.79 0.00 0.00 174.94 172.24 3hif s LYS 166 N -3.68 2.29 -0.25 0.37 2.47 -1.26 -1.65 119.74 118.02 3hif s LYS 166 Ca 0.34 -0.81 -0.27 0.00 -1.56 0.00 0.00 55.97 53.67 3hif s LYS 166 Cb 0.08 -2.41 0.14 0.00 -1.46 0.00 0.00 37.83 34.18 3hif s LYS 166 CO 0.18 -0.35 1.09 -1.50 0.16 0.00 0.00 175.35 174.92 3hif s ILE 167 N 1.37 0.00 0.58 5.43 2.07 -0.58 -5.04 121.20 125.04 3hif s ILE 167 Ca 0.01 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.16 3hif s ILE 167 Cb -0.15 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.41 3hif s ILE 167 CO -0.09 0.00 0.95 0.42 -1.91 0.00 0.00 174.94 174.31 3hif s THR 168 N -0.20 4.66 0.29 4.00 -4.23 -1.26 -4.58 115.64 114.32 3hif s THR 168 Ca 0.03 0.61 0.03 0.00 -1.18 0.00 0.00 61.69 61.17 3hif s THR 168 Cb -0.04 -3.83 0.09 0.00 1.34 0.00 0.00 72.50 70.06 3hif s THR 168 CO -0.05 -1.00 1.75 0.03 -0.54 0.00 0.00 174.62 174.81 3hif h ARG 169 N -0.16 0.51 -0.06 3.99 3.08 -1.96 -2.42 114.38 117.35 3hif h ARG 169 Ca -0.45 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.31 3hif h ARG 169 Cb 1.20 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3hif h ARG 169 CO 0.62 0.67 -0.50 -0.56 -1.07 0.00 0.00 179.97 179.14 3hif h GLN 170 N 0.46 0.16 -0.35 0.04 -0.00 -1.93 -2.36 115.11 111.13 3hif h GLN 170 Ca 0.08 -0.09 -0.12 0.00 -0.00 0.00 0.00 58.65 58.52 3hif h GLN 170 Cb 0.59 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.06 3hif h GLN 170 CO 0.04 0.62 -0.26 0.93 -0.00 0.00 0.00 178.83 180.16 3hif h GLU 171 N 0.13 0.70 -0.38 0.06 5.08 -1.83 -0.62 114.58 117.72 3hif h GLU 171 Ca 0.00 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 3hif h GLU 171 Cb 0.92 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3hif h GLU 171 CO 0.07 0.89 0.11 0.82 -1.00 0.00 0.00 179.01 179.90 3hif h ILE 172 N 0.61 1.22 -0.53 3.13 1.08 -1.18 -1.37 117.51 120.46 3hif h ILE 172 Ca 0.08 -0.71 -0.07 0.00 -0.39 0.00 0.00 64.86 63.76 3hif h ILE 172 Cb 0.76 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 3hif h ILE 172 CO 0.06 0.25 0.04 1.23 -0.69 0.00 0.00 178.15 179.03 3hif h GLY 173 N 0.47 0.95 0.92 5.37 0.00 -1.25 -0.68 103.07 108.84 3hif h GLY 173 Ca 0.12 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3hif h GLY 173 CO -0.00 0.58 0.07 -1.61 0.00 0.00 0.00 176.54 175.58 3hif h GLN 174 N 0.82 0.59 0.00 4.80 4.15 -0.97 0.52 115.11 125.03 3hif h GLN 174 Ca 0.16 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 3hif h GLN 174 Cb 0.44 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.06 3hif h GLN 174 CO 0.02 0.65 -0.00 0.82 -1.93 0.00 0.00 178.83 178.38 3hif h ILE 175 N 0.44 1.15 0.04 2.39 1.08 -1.06 -3.28 117.51 118.27 3hif h ILE 175 Ca 0.11 -0.45 -0.25 0.00 -0.39 0.00 0.00 64.86 63.88 3hif h ILE 175 Cb 0.33 1.46 0.01 0.00 -3.07 0.00 0.00 36.82 35.55 3hif h ILE 175 CO 0.00 0.12 -1.05 0.58 -0.69 0.00 0.00 178.15 177.11 3hif h VAL 176 N -0.20 1.38 0.00 1.67 2.07 -1.12 -3.48 116.25 116.56 3hif h VAL 176 Ca -0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 3hif h VAL 176 Cb 0.20 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3hif h VAL 176 CO 0.00 0.75 0.00 0.61 0.02 0.00 0.00 177.57 178.95 3hif n GLY 177 N 1.12 0.64 3.27 2.17 0.00 0.16 -5.08 105.19 107.47 3hif n GLY 177 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.12 4.30 0.49 0.00 1.04 -1.26 -4.33 113.70 110.82 3hif s SER 179 Ca 0.34 1.96 0.16 0.00 0.48 0.00 0.00 55.95 58.89 3hif s SER 179 Cb 0.06 -2.54 1.18 0.00 0.10 0.00 0.00 66.02 64.81 3hif s SER 179 CO 0.10 -2.18 2.09 0.03 0.98 0.00 0.00 173.24 174.26 3hif h ARG 180 N -0.99 0.00 0.20 4.02 3.08 -1.93 -2.88 114.38 115.89 3hif h ARG 180 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 3hif h ARG 180 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3hif h ARG 180 CO 0.50 0.07 -0.10 0.93 -1.07 0.00 0.00 179.97 180.30 3hif h GLU 181 N 0.00 -0.26 -1.16 0.04 3.07 -1.95 -2.82 114.58 111.50 3hif h GLU 181 Ca -0.00 0.02 0.34 0.00 -0.50 0.00 0.00 59.36 59.22 3hif h GLU 181 Cb 0.13 0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 27.99 3hif h GLU 181 CO 0.01 0.13 0.76 1.15 -1.40 0.00 0.00 179.01 179.65 3hif h THR 182 N -0.76 0.36 -0.12 1.13 2.02 -1.89 0.72 112.91 114.36 3hif h THR 182 Ca -0.03 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 3hif h THR 182 Cb 0.51 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3hif h THR 182 CO 0.05 0.04 0.06 0.58 0.37 0.00 0.00 175.52 176.62 3hif h VAL 183 N 0.24 1.12 -0.56 3.16 2.07 -1.38 -1.17 116.25 119.73 3hif h VAL 183 Ca 0.68 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.81 3hif h VAL 183 Cb 1.98 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 3hif h VAL 183 CO -0.32 0.11 0.19 1.23 0.02 0.00 0.00 177.57 178.80 3hif h GLY 184 N 0.07 0.89 1.02 2.17 0.00 0.56 0.78 103.07 108.55 3hif h GLY 184 Ca 0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3hif h GLY 184 CO -0.01 0.44 0.51 -0.09 0.00 0.00 0.00 176.54 177.40 3hif h ARG 185 N 0.81 1.21 0.16 4.80 9.65 -0.55 -0.97 114.38 129.49 3hif h ARG 185 Ca 0.19 -0.12 -0.22 0.00 -1.10 0.00 0.00 59.98 58.72 3hif h ARG 185 Cb 0.21 -0.25 0.02 0.00 -1.39 0.00 0.00 29.97 28.56 3hif h ARG 185 CO -0.01 0.86 -1.00 0.82 2.80 0.00 0.00 179.97 183.44 3hif h ILE 186 N 1.22 1.42 -0.55 1.20 1.08 -0.42 -3.05 117.51 118.41 3hif h ILE 186 Ca 0.31 -2.55 0.05 0.00 -0.39 0.00 0.00 64.86 62.28 3hif h ILE 186 Cb -0.02 3.12 -0.05 0.00 -3.07 0.00 0.00 36.82 36.81 3hif h ILE 186 CO -0.06 0.73 0.28 -0.07 -0.69 0.00 0.00 178.15 178.35 3hif h LEU 187 N -0.27 0.40 -0.39 1.44 4.07 0.58 0.11 115.31 121.25 3hif h LEU 187 Ca -0.18 0.03 0.04 0.00 0.08 0.00 0.00 57.88 57.85 3hif h LEU 187 Cb 1.75 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 43.41 3hif h LEU 187 CO 0.16 0.27 0.16 0.50 -1.08 0.00 0.00 178.44 178.46 3hif h LYS 188 N 0.53 0.33 0.20 1.13 3.64 -1.29 0.38 116.57 121.50 3hif h LYS 188 Ca 0.24 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3hif h LYS 188 Cb 0.16 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3hif h LYS 188 CO -0.17 0.22 -0.10 1.98 -2.27 0.00 0.00 179.45 179.11 3hif h MET 189 N 0.34 -0.26 -0.44 1.90 4.05 -1.25 -0.54 114.93 118.74 3hif h MET 189 Ca 0.17 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.64 3hif h MET 189 Cb 0.12 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 3hif h MET 189 CO -0.15 -0.15 0.29 -0.07 0.23 0.00 0.00 176.91 177.06 3hif h LEU 190 N -0.29 0.41 -0.66 3.39 3.38 -0.61 -1.17 115.31 119.76 3hif h LEU 190 Ca -0.03 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3hif h LEU 190 Cb 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hif h LEU 190 CO 0.04 0.29 -0.61 -0.08 0.09 0.00 0.00 178.44 178.17 3hif h GLU 191 N 0.48 0.21 0.00 1.13 4.81 -0.50 -2.58 114.58 118.13 3hif h GLU 191 Ca 0.18 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3hif h GLU 191 Cb 0.11 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3hif h GLU 191 CO -0.04 0.76 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.43 3hif h ASP 192 N 0.15 0.00 -0.03 1.04 3.32 0.06 -2.65 116.42 118.32 3hif h ASP 192 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hif h ASP 192 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3hif h ASP 192 CO 0.09 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 3hif n GLN 193 N -3.22 1.29 -3.16 3.56 1.13 -0.71 -4.90 117.38 111.37 3hif n GLN 193 Ca 0.01 -0.43 -0.23 0.00 -1.94 0.00 0.00 57.00 54.42 3hif n GLN 193 Cb 0.43 -1.44 0.04 0.00 0.11 0.00 0.00 30.24 29.39 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 -0.44 -6.17 -0.09 1.08 3.02 -1.00 -4.90 115.26 106.76 3hif n ASN 194 Ca 0.20 -0.35 -0.10 0.00 -0.03 0.00 0.00 54.58 54.30 3hif n ASN 194 Cb 0.20 -4.96 -0.11 0.00 -0.61 0.00 0.00 39.78 34.31 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 -4.26 1.37 -4.38 3.41 4.77 -1.05 -4.91 117.00 111.95 3hif n LEU 195 Ca -0.09 -0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.62 3hif n LEU 195 Cb 0.61 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 3hif n LEU 195 CO 0.52 0.58 -0.13 0.27 -1.33 0.00 0.00 177.39 177.30 3hif s ILE 196 N -2.38 0.17 -0.06 -0.08 -5.25 -1.23 -1.96 121.20 110.42 3hif s ILE 196 Ca -0.16 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 57.47 3hif s ILE 196 Cb 0.06 -2.41 0.04 0.00 2.95 0.00 0.00 42.46 43.09 3hif s ILE 196 CO 0.54 0.00 0.13 -0.94 -1.79 0.00 0.00 174.94 172.88 3hif s SER 197 N -3.48 -0.09 -0.12 4.36 1.04 -0.62 -4.49 113.70 110.31 3hif s SER 197 Ca 0.34 0.27 0.02 0.00 0.48 0.00 0.00 55.95 57.06 3hif s SER 197 Cb 0.02 0.16 0.01 0.00 0.10 0.00 0.00 66.02 66.31 3hif s SER 197 CO 0.24 -0.14 -0.17 0.00 0.98 0.00 0.00 173.24 174.14 3hif s ALA 198 N 1.11 1.86 -0.29 5.32 0.00 -1.26 -1.93 121.76 126.56 3hif s ALA 198 Ca -0.09 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.08 3hif s ALA 198 Cb -0.11 -0.87 0.18 0.00 0.00 0.00 0.00 23.12 22.32 3hif s ALA 198 CO -0.05 -0.04 0.51 -1.01 0.00 0.00 0.00 175.76 175.17 3hif s HIS 199 N 0.90 -1.49 0.00 0.00 3.76 -0.92 -5.06 115.29 112.48 3hif s HIS 199 Ca -0.08 0.76 0.00 0.00 -0.15 0.00 0.00 55.06 55.60 3hif s HIS 199 Cb -0.15 0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.65 3hif s HIS 199 CO -0.01 -1.04 0.00 0.41 -0.85 0.00 0.00 174.74 173.25 3hif n GLY 200 N 5.39 2.03 0.61 -2.22 0.00 -1.26 -2.41 105.19 107.32 3hif n GLY 200 Ca 0.03 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 12.96 1.83 -3.63 1.61 4.01 -1.26 -4.81 118.16 128.87 3hif n LYS 201 Ca 0.00 -1.22 -0.36 0.00 -0.51 0.00 0.00 58.31 56.22 3hif n LYS 201 Cb 0.00 -1.47 -0.08 0.00 -0.51 0.00 0.00 35.03 32.97 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 -2.01 5.35 -0.04 -0.18 2.01 -1.01 -1.52 115.64 118.24 3hif s THR 202 Ca 0.35 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.73 3hif s THR 202 Cb 0.21 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 69.18 3hif s THR 202 CO 0.33 0.41 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.00 3hif s ILE 203 N 0.46 0.42 -0.10 1.82 -1.09 -0.66 -2.16 121.20 119.88 3hif s ILE 203 Ca 0.12 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 3hif s ILE 203 Cb -0.12 -0.46 -0.02 0.00 -1.58 0.00 0.00 42.46 40.29 3hif s ILE 203 CO 0.01 0.19 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.08 3hif s VAL 204 N 0.85 2.97 -0.25 2.92 1.01 -0.81 0.32 120.40 127.42 3hif s VAL 204 Ca -0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3hif s VAL 204 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3hif s VAL 204 CO -0.00 0.55 0.13 -0.69 0.00 0.00 0.00 175.10 175.08 3hif s VAL 205 N 0.05 4.94 0.54 2.92 1.01 0.85 -1.59 120.40 129.12 3hif s VAL 205 Ca -0.05 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 3hif s VAL 205 Cb -0.15 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 3hif s VAL 205 CO 0.04 0.32 1.02 -0.31 0.00 0.00 0.00 175.10 176.18 3hif s TYR 206 N 1.43 3.18 0.00 5.22 4.12 -0.83 -2.02 117.35 128.46 3hif s TYR 206 Ca 0.06 1.51 0.00 0.00 0.02 0.00 0.00 57.07 58.66 3hif s TYR 206 Cb -0.15 -2.92 0.00 0.00 -1.52 0.00 0.00 41.96 37.37 3hif s TYR 206 CO 0.06 -0.75 0.00 0.41 0.02 0.00 0.00 175.55 175.29