#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieh s VAL 2 N 0.00 1.41 -0.04 5.18 1.01 -1.26 -4.73 120.40 121.97 1ieh s VAL 2 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1ieh s VAL 2 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1ieh s VAL 2 CO 0.00 0.37 -0.23 -1.58 0.00 0.00 0.00 175.10 173.66 1ieh s GLN 3 N 1.54 2.22 0.35 2.72 -0.44 -1.26 -4.96 119.66 119.83 1ieh s GLN 3 Ca 0.04 -0.82 0.08 0.00 -2.50 0.00 0.00 55.36 52.15 1ieh s GLN 3 Cb -0.13 -1.95 -0.04 0.00 -1.64 0.00 0.00 33.01 29.25 1ieh s GLN 3 CO -0.10 0.38 0.19 -0.51 0.50 0.00 0.00 175.29 175.75 1ieh s LEU 4 N -0.21 3.33 -0.37 3.68 1.43 -1.26 -3.79 118.68 121.49 1ieh s LEU 4 Ca -0.01 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1ieh s LEU 4 Cb -0.12 -1.84 0.15 0.00 0.03 0.00 0.00 46.19 44.42 1ieh s LEU 4 CO 0.02 -0.34 0.31 -1.10 0.23 0.00 0.00 176.35 175.47 1ieh s GLN 5 N -3.90 0.66 0.13 1.70 -0.21 0.53 -3.40 119.66 115.17 1ieh s GLN 5 Ca 0.39 -1.30 -0.25 0.00 0.02 0.00 0.00 55.36 54.22 1ieh s GLN 5 Cb -0.03 -1.08 -0.07 0.00 1.00 0.00 0.00 33.01 32.83 1ieh s GLN 5 CO 0.24 -1.24 0.75 0.00 -2.12 0.00 0.00 175.29 172.92 1ieh s ALA 6 N 1.00 3.44 0.07 6.09 0.00 -1.26 -1.95 121.76 129.15 1ieh s ALA 6 Ca 0.21 0.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.20 1ieh s ALA 6 Cb -0.15 -2.93 0.09 0.00 0.00 0.00 0.00 23.12 20.12 1ieh s ALA 6 CO -0.04 0.25 0.96 0.45 0.00 0.00 0.00 175.76 177.38 1ieh s SER 7 N -0.87 -0.24 0.00 0.00 0.15 -0.65 -3.13 113.70 108.96 1ieh s SER 7 Ca 0.36 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1ieh s SER 7 Cb -0.22 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1ieh s SER 7 CO 0.25 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1ieh n GLY 8 N -0.37 1.92 3.68 9.45 0.00 -1.26 -2.20 105.19 116.40 1ieh n GLY 8 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1ieh n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ieh s GLY 9 N -2.00 2.18 0.24 -0.02 0.00 -1.26 -4.26 107.32 102.20 1ieh s GLY 9 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1ieh s GLY 9 CO 0.00 1.55 0.04 0.61 0.00 0.00 0.00 173.10 175.30 1ieh n GLY 10 N 3.45 3.71 3.27 0.20 0.00 -1.26 -4.76 105.19 109.80 1ieh n GLY 10 Ca 0.03 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 1ieh n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ieh s LEU 11 N 0.00 2.54 0.00 0.99 1.02 -1.26 -2.35 118.68 119.63 1ieh s LEU 11 Ca 0.03 -0.46 0.02 0.00 0.02 0.00 0.00 54.13 53.74 1ieh s LEU 11 Cb -0.00 -1.59 -0.01 0.00 0.02 0.00 0.00 46.19 44.61 1ieh s LEU 11 CO 0.02 0.06 0.07 1.33 0.02 0.00 0.00 176.35 177.85 1ieh n VAL 12 N 4.22 0.00 -4.29 -1.59 0.24 -0.94 -4.90 118.33 111.07 1ieh n VAL 12 Ca -0.19 -1.10 -0.26 0.00 -2.04 0.00 0.00 64.34 60.74 1ieh n VAL 12 Cb 0.51 0.40 -0.09 0.00 -1.47 0.00 0.00 33.84 33.19 1ieh n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ieh s GLN 13 N -2.72 2.08 -0.83 7.34 1.11 -1.26 -0.32 119.66 125.06 1ieh s GLN 13 Ca 0.10 -1.30 -0.22 0.00 0.01 0.00 0.00 55.36 53.95 1ieh s GLN 13 Cb 0.00 -2.15 -0.20 0.00 -1.01 0.00 0.00 33.01 29.66 1ieh s GLN 13 CO 0.07 0.42 2.37 -2.30 0.01 0.00 0.00 175.29 175.86 1ieh n PRO 14 N -0.08 0.41 0.00 2.91 -0.02 -1.26 -0.25 135.00 136.71 1ieh n PRO 14 Ca -0.10 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 1ieh n PRO 14 Cb 0.56 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1ieh n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ieh n GLY 15 N 6.26 1.43 0.00 -1.23 0.00 -0.33 -4.89 105.19 106.44 1ieh n GLY 15 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1ieh n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 16 N 0.00 1.05 3.64 -0.02 0.00 0.66 -4.65 105.19 105.86 1ieh n GLY 16 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1ieh n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ieh s SER 17 N -1.00 -0.65 0.03 1.61 1.04 -1.26 -3.94 113.70 109.54 1ieh s SER 17 Ca 0.00 1.13 0.03 0.00 0.48 0.00 0.00 55.95 57.59 1ieh s SER 17 Cb 0.00 1.21 -0.02 0.00 0.10 0.00 0.00 66.02 67.31 1ieh s SER 17 CO 0.00 -0.18 -0.10 -0.76 0.98 0.00 0.00 173.24 173.18 1ieh s LEU 18 N 0.94 2.18 -0.24 2.42 1.43 -0.56 -4.97 118.68 119.88 1ieh s LEU 18 Ca -0.04 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1ieh s LEU 18 Cb -0.05 -0.34 0.06 0.00 0.03 0.00 0.00 46.19 45.90 1ieh s LEU 18 CO -0.11 -0.07 -0.05 -0.60 0.23 0.00 0.00 176.35 175.74 1ieh s ARG 19 N -1.17 1.68 0.24 1.70 3.52 -1.26 -1.18 118.95 122.49 1ieh s ARG 19 Ca -0.04 -1.08 0.08 0.00 -0.13 0.00 0.00 55.73 54.57 1ieh s ARG 19 Cb -0.08 -2.64 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 1ieh s ARG 19 CO 0.01 -0.62 0.08 0.14 -0.81 0.00 0.00 175.30 174.10 1ieh s VAL 20 N 1.34 3.92 0.13 7.11 -7.23 -1.00 -4.83 120.40 119.84 1ieh s VAL 20 Ca -0.05 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1ieh s VAL 20 Cb -0.19 -3.09 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1ieh s VAL 20 CO -0.07 -0.32 0.05 -0.94 -0.31 0.00 0.00 175.10 173.52 1ieh s SER 21 N -3.62 0.32 -0.18 4.85 1.04 -0.93 -1.85 113.70 113.32 1ieh s SER 21 Ca 0.31 -1.20 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 1ieh s SER 21 Cb -0.07 0.29 0.08 0.00 0.10 0.00 0.00 66.02 66.42 1ieh s SER 21 CO 0.22 -0.72 0.18 0.00 0.98 0.00 0.00 173.24 173.89 1ieh s ALA 23 N 2.27 3.39 0.26 0.00 0.00 -0.82 -1.15 121.76 125.71 1ieh s ALA 23 Ca 0.05 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1ieh s ALA 23 Cb -0.15 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1ieh s ALA 23 CO -0.11 0.01 0.11 0.00 0.00 0.00 0.00 175.76 175.78 1ieh s ALA 24 N 0.33 1.68 -0.29 0.00 0.00 -1.04 -0.35 121.76 122.09 1ieh s ALA 24 Ca 0.36 -1.83 -0.23 0.00 0.00 0.00 0.00 51.96 50.26 1ieh s ALA 24 Cb -0.18 1.11 0.15 0.00 0.00 0.00 0.00 23.12 24.20 1ieh s ALA 24 CO 0.19 -0.48 1.12 0.45 0.00 0.00 0.00 175.76 177.04 1ieh s SER 25 N -3.30 -0.35 0.00 0.00 0.15 -1.25 -4.76 113.70 104.19 1ieh s SER 25 Ca 0.38 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1ieh s SER 25 Cb 0.07 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 1ieh s SER 25 CO 0.14 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1ieh n GLY 26 N 2.44 0.41 0.00 9.45 0.00 -1.26 -4.14 105.19 112.10 1ieh n GLY 26 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ieh n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ieh n PHE 27 N 0.00 0.00 -1.28 1.61 -1.74 -1.26 -4.84 117.46 109.95 1ieh n PHE 27 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1ieh n PHE 27 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1ieh n PHE 27 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 1ieh n THR 28 N 0.00 -4.10 -1.70 1.97 -1.04 -1.26 -4.81 114.28 103.33 1ieh n THR 28 Ca 0.00 1.80 -0.14 0.00 -2.04 0.00 0.00 64.05 63.68 1ieh n THR 28 Cb 0.00 -2.55 0.09 0.00 -1.82 0.00 0.00 70.33 66.05 1ieh n THR 28 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ieh n PHE 29 N -1.19 -3.79 -1.98 -1.42 3.01 -0.55 -4.21 117.46 107.33 1ieh n PHE 29 Ca 0.00 -0.66 -0.15 0.00 1.01 0.00 0.00 57.45 57.65 1ieh n PHE 29 Cb 0.07 -0.47 -0.03 0.00 -0.01 0.00 0.00 39.48 39.04 1ieh n PHE 29 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ieh n SER 30 N -3.31 -4.35 0.00 4.37 2.88 -1.26 -4.57 113.62 107.38 1ieh n SER 30 Ca 0.08 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1ieh n SER 30 Cb 0.29 -3.80 0.00 0.00 -0.75 0.00 0.00 64.21 59.95 1ieh n SER 30 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ieh n SER 31 N -1.37 0.00 -4.60 -3.46 7.64 -1.26 -4.71 113.62 105.85 1ieh n SER 31 Ca -0.17 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.47 1ieh n SER 31 Cb 0.58 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 1ieh n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ieh s TYR 32 N -0.86 2.54 0.15 1.43 1.51 -1.26 -4.82 117.35 116.03 1ieh s TYR 32 Ca 0.00 -0.36 -0.24 0.00 -1.01 0.00 0.00 57.07 55.46 1ieh s TYR 32 Cb 0.00 -1.31 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 1ieh s TYR 32 CO 0.00 0.56 0.74 -1.01 -1.11 0.00 0.00 175.55 174.74 1ieh s HIS 33 N -2.47 3.89 0.29 2.71 3.76 -1.26 -4.20 115.29 118.02 1ieh s HIS 33 Ca 0.33 1.57 0.04 0.00 -0.15 0.00 0.00 55.06 56.85 1ieh s HIS 33 Cb -0.03 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.90 1ieh s HIS 33 CO 0.19 0.52 0.19 -1.64 -0.85 0.00 0.00 174.74 173.15 1ieh s MET 34 N -1.11 1.58 -0.09 1.40 1.00 -1.16 -0.44 119.30 120.48 1ieh s MET 34 Ca 0.35 -1.90 -0.30 0.00 0.00 0.00 0.00 55.69 53.84 1ieh s MET 34 Cb -0.22 0.11 0.10 0.00 0.00 0.00 0.00 34.83 34.81 1ieh s MET 34 CO 0.25 -0.51 0.82 0.00 0.00 0.00 0.00 175.02 175.58 1ieh s ALA 35 N -3.66 -1.83 -0.40 3.03 0.00 0.28 -2.07 121.76 117.10 1ieh s ALA 35 Ca 0.38 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.62 1ieh s ALA 35 Cb 0.04 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.97 1ieh s ALA 35 CO 0.20 -0.37 0.25 -1.58 0.00 0.00 0.00 175.76 174.25 1ieh s TRP 36 N -1.31 3.28 0.33 0.00 0.52 0.41 -1.91 118.94 120.26 1ieh s TRP 36 Ca -0.06 -1.22 0.07 0.00 0.02 0.00 0.00 56.10 54.90 1ieh s TRP 36 Cb -0.00 -2.74 -0.02 0.00 -1.15 0.00 0.00 33.47 29.56 1ieh s TRP 36 CO 0.05 -0.76 0.41 0.14 0.02 0.00 0.00 176.95 176.81 1ieh s VAL 37 N 1.50 3.98 0.02 4.03 -7.23 0.68 -2.48 120.40 120.91 1ieh s VAL 37 Ca 0.02 -1.11 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1ieh s VAL 37 Cb -0.21 -3.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.34 1ieh s VAL 37 CO 0.05 -0.17 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.04 1ieh s ARG 38 N -4.10 0.36 -0.16 4.82 3.52 0.19 -0.56 118.95 123.03 1ieh s ARG 38 Ca 0.43 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 55.33 1ieh s ARG 38 Cb -0.08 0.13 0.05 0.00 -1.56 0.00 0.00 34.95 33.48 1ieh s ARG 38 CO 0.30 -0.06 0.00 -1.14 -0.81 0.00 0.00 175.30 173.59 1ieh s GLN 39 N -1.80 0.85 0.24 5.12 0.74 0.91 -1.05 119.66 124.67 1ieh s GLN 39 Ca -0.13 -0.33 0.02 0.00 0.05 0.00 0.00 55.36 54.98 1ieh s GLN 39 Cb -0.07 -1.82 -0.04 0.00 1.10 0.00 0.00 33.01 32.18 1ieh s GLN 39 CO -0.02 -0.51 0.41 0.00 -0.55 0.00 0.00 175.29 174.62 1ieh s ALA 40 N 1.82 3.84 -0.76 1.58 0.00 -1.26 -2.21 121.76 124.78 1ieh s ALA 40 Ca 0.01 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.72 1ieh s ALA 40 Cb -0.15 -1.91 -0.15 0.00 0.00 0.00 0.00 23.12 20.90 1ieh s ALA 40 CO -0.07 0.27 2.40 -0.35 0.00 0.00 0.00 175.76 178.01 1ieh n PRO 41 N -1.17 0.58 0.00 0.00 -0.04 -1.26 -1.34 135.00 131.77 1ieh n PRO 41 Ca -0.06 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1ieh n PRO 41 Cb 0.55 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 1ieh n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ieh n GLY 42 N 6.56 1.73 3.24 0.55 0.00 -1.26 -5.13 105.19 110.88 1ieh n GLY 42 Ca 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.35 1ieh n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ieh s LYS 43 N -0.46 1.02 -0.67 1.61 2.20 -0.45 -5.05 119.74 117.94 1ieh s LYS 43 Ca 0.00 -1.39 -0.02 0.00 -0.36 0.00 0.00 55.97 54.20 1ieh s LYS 43 Cb 0.00 -0.63 0.40 0.00 -1.51 0.00 0.00 37.83 36.08 1ieh s LYS 43 CO 0.00 0.08 2.06 0.41 -0.36 0.00 0.00 175.35 177.54 1ieh n GLY 44 N -0.02 5.60 1.28 5.54 0.00 -1.26 -4.71 105.19 111.62 1ieh n GLY 44 Ca -0.12 -2.23 0.15 0.00 0.00 0.00 0.00 46.02 43.83 1ieh n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ieh n LEU 45 N -0.67 -0.92 -3.69 0.99 7.94 -1.26 -5.02 117.00 114.37 1ieh n LEU 45 Ca 0.58 2.14 -0.10 0.00 -1.11 0.00 0.00 56.01 57.52 1ieh n LEU 45 Cb 0.56 -2.77 -0.10 0.00 0.53 0.00 0.00 43.42 41.64 1ieh n LEU 45 CO 0.69 -1.93 0.11 -0.70 -1.11 0.00 0.00 177.39 174.45 1ieh s GLU 46 N -4.12 0.45 0.54 1.96 2.12 -0.21 -4.96 118.70 114.48 1ieh s GLU 46 Ca 0.00 0.86 0.22 0.00 0.36 0.00 0.00 54.97 56.41 1ieh s GLU 46 Cb 0.00 0.02 1.46 0.00 0.26 0.00 0.00 34.13 35.87 1ieh s GLU 46 CO 0.00 -0.15 2.16 2.35 -0.54 0.00 0.00 175.26 179.08 1ieh h TRP 47 N 7.03 0.00 0.00 5.30 7.01 -1.88 0.57 115.95 133.98 1ieh h TRP 47 Ca -0.35 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.65 1ieh h TRP 47 Cb 1.19 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 1ieh h TRP 47 CO 0.22 0.04 0.00 0.28 -2.79 0.00 0.00 178.44 176.19 1ieh n VAL 48 N -4.14 0.00 -4.44 2.65 0.31 -1.24 -3.35 118.33 108.12 1ieh n VAL 48 Ca -0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.07 1ieh n VAL 48 Cb 0.13 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.92 1ieh n VAL 48 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ieh s SER 49 N -3.36 2.32 -0.02 4.52 0.01 -1.03 -1.66 113.70 114.47 1ieh s SER 49 Ca 0.00 -0.58 -0.00 0.00 1.31 0.00 0.00 55.95 56.68 1ieh s SER 49 Cb 0.00 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.10 1ieh s SER 49 CO 0.00 0.09 0.03 -0.89 0.41 0.00 0.00 173.24 172.88 1ieh s THR 50 N -0.96 -0.03 0.02 1.44 2.01 -0.29 -0.45 115.64 117.37 1ieh s THR 50 Ca 0.06 0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1ieh s THR 50 Cb -0.09 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 1ieh s THR 50 CO 0.03 0.11 -0.25 -0.51 -0.69 0.00 0.00 174.62 173.30 1ieh s ILE 51 N 1.19 2.01 0.09 1.82 2.07 -0.88 -2.17 121.20 125.33 1ieh s ILE 51 Ca -0.08 -1.24 -0.05 0.00 -1.41 0.00 0.00 60.65 57.88 1ieh s ILE 51 Cb -0.13 -1.71 -0.05 0.00 0.13 0.00 0.00 42.46 40.70 1ieh s ILE 51 CO -0.03 0.42 0.32 0.54 -1.91 0.00 0.00 174.94 174.29 1ieh s ASN 52 N -0.97 6.48 0.00 4.50 4.22 -1.23 -2.99 114.94 124.96 1ieh s ASN 52 Ca 0.10 0.54 0.00 0.00 -2.14 0.00 0.00 52.86 51.37 1ieh s ASN 52 Cb -0.10 -2.08 0.00 0.00 1.28 0.00 0.00 41.25 40.36 1ieh s ASN 52 CO 0.01 0.14 0.83 -2.65 -2.04 0.00 0.00 177.10 173.38 1ieh n PRO 53 N 0.47 0.00 -1.34 3.55 -0.02 -1.26 -4.53 135.00 131.87 1ieh n PRO 53 Ca -0.06 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.82 1ieh n PRO 53 Cb 0.52 -1.33 0.05 0.00 -0.02 0.00 0.00 33.50 32.72 1ieh n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ieh n GLY 54 N -0.88 0.44 5.20 -1.23 0.00 -1.26 -4.68 105.19 102.77 1ieh n GLY 54 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1ieh n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ieh n ASP 55 N -3.02 0.00 0.00 1.61 8.00 -1.26 -4.31 116.55 117.58 1ieh n ASP 55 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1ieh n ASP 55 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1ieh n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ieh n GLY 56 N 0.00 -0.06 3.65 0.44 0.00 -1.26 -5.09 105.19 102.87 1ieh n GLY 56 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 1ieh n GLY 56 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ieh n SER 57 N 0.00 3.07 -4.74 1.61 2.88 -1.26 -4.83 113.62 110.35 1ieh n SER 57 Ca 0.00 0.88 -0.30 0.00 -1.33 0.00 0.00 58.87 58.12 1ieh n SER 57 Cb 0.00 -1.32 -0.07 0.00 -0.75 0.00 0.00 64.21 62.07 1ieh n SER 57 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ieh s THR 58 N 4.65 4.34 -0.03 2.46 -4.23 -1.26 -3.47 115.64 118.10 1ieh s THR 58 Ca 0.97 -0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1ieh s THR 58 Cb -0.77 -3.08 0.03 0.00 1.34 0.00 0.00 72.50 70.02 1ieh s THR 58 CO 0.53 0.12 0.05 -0.31 -0.54 0.00 0.00 174.62 174.48 1ieh s TYR 59 N -1.36 0.04 0.29 3.99 2.02 -0.92 -5.04 117.35 116.36 1ieh s TYR 59 Ca 0.28 0.21 0.07 0.00 -0.37 0.00 0.00 57.07 57.26 1ieh s TYR 59 Cb -0.12 -0.36 -0.06 0.00 -0.40 0.00 0.00 41.96 41.03 1ieh s TYR 59 CO 0.21 -0.14 -0.06 0.71 -1.57 0.00 0.00 175.55 174.69 1ieh s TYR 60 N 1.64 1.99 -1.68 2.71 1.51 -1.26 -1.14 117.35 121.12 1ieh s TYR 60 Ca -0.02 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1ieh s TYR 60 Cb -0.12 -1.14 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1ieh s TYR 60 CO -0.03 0.30 0.81 0.00 -1.11 0.00 0.00 175.55 175.52 1ieh n ALA 61 N -0.60 2.45 0.00 3.71 0.00 -0.66 -4.87 120.51 120.54 1ieh n ALA 61 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ieh n ALA 61 Cb 0.63 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1ieh n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ieh n ASP 62 N -0.33 0.00 -0.23 0.00 9.92 -1.26 -4.51 116.55 120.14 1ieh n ASP 62 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1ieh n ASP 62 Cb 0.08 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.57 1ieh n ASP 62 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ieh n SER 63 N 2.26 0.51 -0.20 -2.24 7.64 -1.26 -2.94 113.62 117.40 1ieh n SER 63 Ca 0.00 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1ieh n SER 63 Cb 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1ieh n SER 63 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ieh n VAL 64 N -0.26 0.06 0.02 0.44 0.24 -1.26 -4.91 118.33 112.66 1ieh n VAL 64 Ca 0.01 -0.07 -0.02 0.00 -2.04 0.00 0.00 64.34 62.22 1ieh n VAL 64 Cb 0.12 0.77 -0.01 0.00 -1.47 0.00 0.00 33.84 33.25 1ieh n VAL 64 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1ieh h LYS 65 N 0.00 -0.10 -1.37 7.34 1.79 -1.77 -1.91 116.57 120.54 1ieh h LYS 65 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1ieh h LYS 65 Cb 1.14 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1ieh h LYS 65 CO 0.00 -0.07 0.00 0.41 -1.08 0.00 0.00 179.45 178.71 1ieh n GLY 66 N 1.39 2.16 2.04 3.86 0.00 -1.26 -3.87 105.19 109.51 1ieh n GLY 66 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ieh n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ieh n ARG 67 N 0.87 0.00 -3.99 1.61 0.00 -1.25 -4.74 116.66 109.16 1ieh n ARG 67 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 1ieh n ARG 67 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 32.46 32.84 1ieh n ARG 67 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ieh s PHE 68 N -2.00 3.11 -0.14 2.89 0.08 -0.72 -1.04 117.98 120.15 1ieh s PHE 68 Ca 0.00 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.71 1ieh s PHE 68 Cb 0.00 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 1ieh s PHE 68 CO 0.00 -0.16 0.04 0.99 -0.10 0.00 0.00 175.22 175.99 1ieh s THR 69 N 0.98 4.61 -0.20 0.64 2.01 -0.81 -4.53 115.64 118.34 1ieh s THR 69 Ca 0.03 -0.11 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 1ieh s THR 69 Cb -0.14 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1ieh s THR 69 CO 0.02 0.53 0.08 -0.51 -0.69 0.00 0.00 174.62 174.05 1ieh s ILE 70 N -0.19 4.80 -0.25 1.82 2.07 -1.26 -0.83 121.20 127.36 1ieh s ILE 70 Ca 0.07 -0.02 -0.17 0.00 -1.41 0.00 0.00 60.65 59.11 1ieh s ILE 70 Cb -0.12 -3.19 0.07 0.00 0.13 0.00 0.00 42.46 39.35 1ieh s ILE 70 CO 0.02 0.42 0.64 -0.94 -1.91 0.00 0.00 174.94 173.16 1ieh s SER 71 N 0.70 -0.80 0.44 4.50 1.04 -0.94 -5.00 113.70 113.65 1ieh s SER 71 Ca 0.04 1.36 0.01 0.00 0.48 0.00 0.00 55.95 57.84 1ieh s SER 71 Cb -0.13 1.29 0.01 0.00 0.10 0.00 0.00 66.02 67.28 1ieh s SER 71 CO 0.02 -0.23 0.05 -2.11 0.98 0.00 0.00 173.24 171.95 1ieh n ARG 72 N 3.74 0.93 -4.03 4.02 1.85 -1.26 -0.39 116.66 121.52 1ieh n ARG 72 Ca -0.18 -3.12 -0.35 0.00 -1.00 0.00 0.00 57.85 53.20 1ieh n ARG 72 Cb 0.57 0.77 -0.10 0.00 -1.05 0.00 0.00 32.46 32.64 1ieh n ARG 72 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1ieh s ASP 73 N -3.43 5.48 0.31 2.89 -1.08 -1.14 -4.94 116.67 114.76 1ieh s ASP 73 Ca 0.04 0.03 -0.28 0.00 -0.52 0.00 0.00 52.55 51.82 1ieh s ASP 73 Cb -0.00 -1.94 -0.09 0.00 -1.46 0.00 0.00 42.92 39.43 1ieh s ASP 73 CO 0.02 0.15 1.06 0.54 0.52 0.00 0.00 175.17 177.47 1ieh s ASN 74 N 0.50 7.16 -1.70 -0.34 4.22 -1.26 -3.20 114.94 120.31 1ieh s ASN 74 Ca 0.02 2.16 0.00 0.00 -2.14 0.00 0.00 52.86 52.90 1ieh s ASN 74 Cb -0.13 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.79 1ieh s ASN 74 CO 0.01 -0.21 0.00 0.00 -2.04 0.00 0.00 177.10 174.86 1ieh n ALA 75 N 0.84 -0.64 -3.00 3.54 0.00 -1.26 -4.93 120.51 115.07 1ieh n ALA 75 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1ieh n ALA 75 Cb 0.47 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1ieh n ALA 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ieh n LYS 76 N -2.99 0.25 -3.01 0.00 0.00 -1.19 -5.04 118.16 106.18 1ieh n LYS 76 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 57.91 1ieh n LYS 76 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.69 1ieh n LYS 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ieh n ASN 77 N 0.00 -1.43 -3.53 3.14 4.13 -1.26 -1.48 115.26 114.82 1ieh n ASN 77 Ca 0.00 -2.90 -0.18 0.00 1.68 0.00 0.00 54.58 53.19 1ieh n ASN 77 Cb 0.00 0.53 -0.06 0.00 -1.54 0.00 0.00 39.78 38.71 1ieh n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ieh s THR 78 N -0.12 0.00 -0.11 3.41 2.01 -1.26 -2.49 115.64 117.09 1ieh s THR 78 Ca 0.33 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1ieh s THR 78 Cb 0.16 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.69 1ieh s THR 78 CO -0.16 -0.01 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.39 1ieh s LEU 79 N -1.11 1.73 0.18 4.42 2.96 -0.30 -2.90 118.68 123.66 1ieh s LEU 79 Ca -0.10 -0.43 0.08 0.00 -0.22 0.00 0.00 54.13 53.46 1ieh s LEU 79 Cb -0.00 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1ieh s LEU 79 CO 0.09 0.02 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.77 1ieh s TYR 80 N 0.97 2.71 0.00 5.38 1.51 0.48 -0.13 117.35 128.28 1ieh s TYR 80 Ca -0.07 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 1ieh s TYR 80 Cb -0.15 -1.32 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 1ieh s TYR 80 CO -0.01 0.51 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.71 1ieh s LEU 81 N -2.86 2.05 -0.41 -1.29 1.98 -0.77 -2.21 118.68 115.17 1ieh s LEU 81 Ca 0.26 -0.18 -0.08 0.00 -2.89 0.00 0.00 54.13 51.24 1ieh s LEU 81 Cb -0.09 -0.29 0.08 0.00 0.66 0.00 0.00 46.19 46.56 1ieh s LEU 81 CO 0.16 0.03 0.23 -1.58 -1.89 0.00 0.00 176.35 173.31 1ieh s GLN 82 N -0.37 2.49 -1.08 1.98 2.00 -0.01 -2.38 119.66 122.29 1ieh s GLN 82 Ca 0.00 -1.51 -0.16 0.00 -2.00 0.00 0.00 55.36 51.69 1ieh s GLN 82 Cb -0.04 -3.70 0.15 0.00 0.80 0.00 0.00 33.01 30.22 1ieh s GLN 82 CO -0.00 -0.95 1.29 -1.64 -0.50 0.00 0.00 175.29 173.49 1ieh s MET 83 N 1.36 3.85 0.40 1.67 -1.94 -0.32 -1.92 119.30 122.40 1ieh s MET 83 Ca 0.03 -2.17 0.08 0.00 -1.71 0.00 0.00 55.69 51.92 1ieh s MET 83 Cb -0.23 -5.01 -0.06 0.00 2.01 0.00 0.00 34.83 31.55 1ieh s MET 83 CO 0.01 -1.78 0.11 -0.80 -0.01 0.00 0.00 175.02 172.55 1ieh s ASN 84 N 3.26 4.26 -1.55 3.03 -0.87 -0.21 -1.50 114.94 121.36 1ieh s ASN 84 Ca 0.38 -1.13 0.00 0.00 -1.57 0.00 0.00 52.86 50.54 1ieh s ASN 84 Cb -0.04 -0.47 0.00 0.00 -0.02 0.00 0.00 41.25 40.72 1ieh s ASN 84 CO -0.04 -0.47 0.00 -1.20 -2.57 0.00 0.00 177.10 172.82 1ieh n SER 85 N -1.13 -4.69 -4.63 -1.22 7.64 -1.25 -4.47 113.62 103.88 1ieh n SER 85 Ca -0.02 0.22 -0.38 0.00 1.01 0.00 0.00 58.87 59.69 1ieh n SER 85 Cb 0.65 -4.05 0.05 0.00 -1.01 0.00 0.00 64.21 59.84 1ieh n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ieh n LEU 86 N -2.59 3.71 -2.74 -3.43 4.32 -1.26 -4.69 117.00 110.32 1ieh n LEU 86 Ca -0.18 0.85 -0.09 0.00 -0.02 0.00 0.00 56.01 56.57 1ieh n LEU 86 Cb 0.61 -1.40 0.08 0.00 -1.62 0.00 0.00 43.42 41.09 1ieh n LEU 86 CO 0.24 -1.68 0.31 2.29 -1.22 0.00 0.00 177.39 177.32 1ieh n LYS 87 N -0.84 0.98 -0.68 3.23 -0.00 -1.26 -1.19 118.16 118.41 1ieh n LYS 87 Ca 0.13 -1.93 0.00 0.00 -0.00 0.00 0.00 58.31 56.51 1ieh n LYS 87 Cb 0.46 -1.11 0.00 0.00 -0.00 0.00 0.00 35.03 34.38 1ieh n LYS 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1ieh n SER 88 N 0.56 -1.08 -0.03 -5.58 2.88 -1.26 -4.71 113.62 104.40 1ieh n SER 88 Ca 0.07 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.64 1ieh n SER 88 Cb 0.69 -2.19 -0.15 0.00 -0.75 0.00 0.00 64.21 61.81 1ieh n SER 88 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ieh n GLU 89 N -1.56 0.66 0.19 -1.46 2.13 -1.26 -4.18 120.64 115.17 1ieh n GLU 89 Ca 0.00 -0.07 0.09 0.00 0.66 0.00 0.00 57.16 57.84 1ieh n GLU 89 Cb 0.08 -1.57 0.12 0.00 0.27 0.00 0.00 31.44 30.35 1ieh n GLU 89 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1ieh h ASP 90 N 0.00 0.00 -0.42 4.31 3.58 -1.95 -3.43 116.42 118.51 1ieh h ASP 90 Ca -0.20 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.20 1ieh h ASP 90 Cb 1.48 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.52 1ieh h ASP 90 CO 0.01 0.13 0.20 0.41 -2.88 0.00 0.00 179.24 177.11 1ieh n THR 91 N -3.11 -0.01 -3.99 2.25 -1.04 -1.26 -4.69 114.28 102.44 1ieh n THR 91 Ca 0.03 -0.52 0.04 0.00 -2.04 0.00 0.00 64.05 61.56 1ieh n THR 91 Cb 0.59 -1.98 0.01 0.00 -1.82 0.00 0.00 70.33 67.13 1ieh n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ieh s ALA 92 N 14.19 -2.65 0.19 2.41 0.00 0.04 -4.78 121.76 131.16 1ieh s ALA 92 Ca 0.95 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.92 1ieh s ALA 92 Cb -0.16 0.89 -0.08 0.00 0.00 0.00 0.00 23.12 23.77 1ieh s ALA 92 CO 0.11 -1.16 0.62 0.08 0.00 0.00 0.00 175.76 175.41 1ieh s VAL 93 N -2.02 4.75 -0.08 0.00 1.01 -0.94 -1.85 120.40 121.27 1ieh s VAL 93 Ca 0.30 0.96 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1ieh s VAL 93 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1ieh s VAL 93 CO -0.02 0.17 -0.16 -0.31 0.00 0.00 0.00 175.10 174.78 1ieh s TYR 94 N -1.55 1.88 -0.05 5.22 1.51 0.00 -0.06 117.35 124.30 1ieh s TYR 94 Ca 0.41 -0.77 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1ieh s TYR 94 Cb -0.15 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.36 1ieh s TYR 94 CO 0.20 -0.36 -0.24 0.71 -1.11 0.00 0.00 175.55 174.75 1ieh s TYR 95 N 0.65 2.28 -0.08 2.71 1.51 0.28 -1.43 117.35 123.27 1ieh s TYR 95 Ca -0.14 -0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 55.24 1ieh s TYR 95 Cb -0.16 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1ieh s TYR 95 CO 0.04 -0.19 0.05 0.00 -1.11 0.00 0.00 175.55 174.34 1ieh s ALA 97 N -0.98 -1.42 0.17 0.00 0.00 -0.80 -3.56 121.76 115.16 1ieh s ALA 97 Ca 0.16 0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 1ieh s ALA 97 Cb -0.12 0.79 -0.08 0.00 0.00 0.00 0.00 23.12 23.72 1ieh s ALA 97 CO 0.05 -0.96 0.82 0.21 0.00 0.00 0.00 175.76 175.88 1ieh s LYS 98 N -3.72 4.63 0.27 0.00 2.20 -1.26 -0.56 119.74 121.31 1ieh s LYS 98 Ca 0.09 1.23 -0.22 0.00 -0.36 0.00 0.00 55.97 56.71 1ieh s LYS 98 Cb -0.04 -3.28 -0.09 0.00 -1.51 0.00 0.00 37.83 32.91 1ieh s LYS 98 CO 0.01 0.52 0.81 -0.47 -0.36 0.00 0.00 175.35 175.86 1ieh s TYR 99 N -1.00 3.64 0.00 4.03 5.04 0.42 -4.55 117.35 124.93 1ieh s TYR 99 Ca 0.38 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 1ieh s TYR 99 Cb -0.23 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.34 1ieh s TYR 99 CO 0.27 0.26 0.00 0.45 -1.34 0.00 0.00 175.55 175.19 1ieh n SER 100 N 0.56 1.97 0.00 4.32 2.88 -1.26 -4.69 113.62 117.40 1ieh n SER 100 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ieh n SER 100 Cb 0.51 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1ieh n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ieh n GLY 101 N 1.64 0.54 0.00 0.46 0.00 -1.26 -5.05 105.19 101.52 1ieh n GLY 101 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ieh n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 102 N 0.00 0.58 3.07 -0.02 0.00 -1.26 -5.04 105.19 102.51 1ieh n GLY 102 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ieh n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ieh s ALA 103 N -0.65 1.57 0.47 4.61 0.00 -1.26 -4.98 121.76 121.51 1ieh s ALA 103 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 1ieh s ALA 103 Cb 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.34 1ieh s ALA 103 CO 0.00 0.08 1.05 -1.17 0.00 0.00 0.00 175.76 175.72 1ieh s LEU 104 N 0.72 3.91 -0.08 0.00 2.96 -1.26 -4.72 118.68 120.21 1ieh s LEU 104 Ca -0.13 1.97 0.02 0.00 -0.22 0.00 0.00 54.13 55.77 1ieh s LEU 104 Cb -0.16 -4.48 -0.25 0.00 0.50 0.00 0.00 46.19 41.81 1ieh s LEU 104 CO 0.03 -0.75 0.54 -0.78 -1.32 0.00 0.00 176.35 174.07 1ieh h ASP 105 N 1.75 0.24 -4.79 3.68 1.82 -1.94 -3.51 116.42 113.68 1ieh h ASP 105 Ca -0.49 -0.52 0.00 0.00 -0.39 0.00 0.00 57.03 55.63 1ieh h ASP 105 Cb 1.22 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1ieh h ASP 105 CO 0.60 1.46 -0.83 0.00 -1.61 0.00 0.00 179.24 178.86 1ieh n ALA 106 N -2.78 -3.41 0.31 -0.78 0.00 -1.26 -4.97 120.51 107.62 1ieh n ALA 106 Ca -0.24 0.43 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1ieh n ALA 106 Cb 1.05 -0.87 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 1ieh n ALA 106 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1ieh n TRP 107 N 0.58 0.08 -0.62 0.00 8.01 -1.26 -4.99 117.44 119.24 1ieh n TRP 107 Ca 0.00 0.02 -0.31 0.00 -1.31 0.00 0.00 57.50 55.91 1ieh n TRP 107 Cb 0.01 -0.39 0.19 0.00 -2.01 0.00 0.00 31.31 29.10 1ieh n TRP 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ieh n GLY 108 N 1.33 -2.52 0.20 6.99 0.00 -1.23 -4.05 105.19 105.90 1ieh n GLY 108 Ca -0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1ieh n GLY 108 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ieh h GLN 109 N -2.25 0.54 0.00 1.61 -0.00 -1.73 -3.44 115.11 109.84 1ieh h GLN 109 Ca -0.52 -0.41 0.00 0.00 -0.00 0.00 0.00 58.65 57.72 1ieh h GLN 109 Cb 1.31 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.87 1ieh h GLN 109 CO 0.37 1.03 0.00 0.41 0.00 0.00 0.00 178.83 180.65 1ieh n GLY 110 N 0.51 0.77 3.72 2.39 0.00 -1.18 -4.88 105.19 106.52 1ieh n GLY 110 Ca -0.05 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1ieh n GLY 110 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ieh s THR 111 N 0.00 5.14 -0.54 2.61 -1.32 -0.52 -4.79 115.64 116.22 1ieh s THR 111 Ca 0.00 1.09 -0.22 0.00 -1.21 0.00 0.00 61.69 61.35 1ieh s THR 111 Cb 0.00 -3.88 0.05 0.00 -1.51 0.00 0.00 72.50 67.16 1ieh s THR 111 CO 0.00 0.31 0.81 -1.58 -2.21 0.00 0.00 174.62 171.95 1ieh s GLN 112 N 0.62 3.23 -0.09 7.08 2.00 -1.26 -0.82 119.66 130.41 1ieh s GLN 112 Ca 0.29 -0.57 -0.02 0.00 -2.00 0.00 0.00 55.36 53.07 1ieh s GLN 112 Cb -0.16 -4.08 -0.03 0.00 0.80 0.00 0.00 33.01 29.54 1ieh s GLN 112 CO 0.13 -1.40 -0.02 0.08 -0.50 0.00 0.00 175.29 173.58 1ieh s VAL 113 N 3.40 4.14 0.04 1.34 1.01 -0.77 -4.21 120.40 125.35 1ieh s VAL 113 Ca 0.23 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1ieh s VAL 113 Cb -0.16 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1ieh s VAL 113 CO 0.15 0.59 -0.06 -0.89 0.00 0.00 0.00 175.10 174.89 1ieh s THR 114 N -0.68 0.39 -0.24 3.92 2.01 -0.99 -0.78 115.64 119.28 1ieh s THR 114 Ca 0.11 -1.18 0.01 0.00 0.31 0.00 0.00 61.69 60.94 1ieh s THR 114 Cb -0.12 -0.69 0.06 0.00 0.01 0.00 0.00 72.50 71.77 1ieh s THR 114 CO 0.02 -0.52 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.69 1ieh s VAL 115 N -1.85 1.47 0.00 3.82 1.01 -1.26 -2.22 120.40 121.36 1ieh s VAL 115 Ca -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1ieh s VAL 115 Cb -0.07 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1ieh s VAL 115 CO -0.01 -0.13 0.00 -0.24 0.00 0.00 0.00 175.10 174.72 1ieh n SER 116 N 4.69 0.00 -2.68 3.32 2.88 0.56 -4.82 113.62 117.58 1ieh n SER 116 Ca -0.11 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.38 1ieh n SER 116 Cb 0.44 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.00 1ieh n SER 116 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ieh n SER 117 N 0.00 -1.43 -1.18 -3.46 3.41 -1.25 -4.33 113.62 105.37 1ieh n SER 117 Ca 0.00 -2.19 0.12 0.00 -0.26 0.00 0.00 58.87 56.54 1ieh n SER 117 Cb 0.00 1.28 -0.07 0.00 -0.26 0.00 0.00 64.21 65.16 1ieh n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ieh n GLN 118 N 0.34 -2.80 0.00 4.33 1.13 -1.26 -5.01 117.38 114.11 1ieh n GLN 118 Ca -0.06 2.27 0.00 0.00 -1.94 0.00 0.00 57.00 57.28 1ieh n GLN 118 Cb 0.74 -3.16 0.00 0.00 0.11 0.00 0.00 30.24 27.93 1ieh n GLN 118 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ieh n SER 119 N -3.64 0.00 0.00 1.08 3.41 -1.26 -5.07 113.62 108.14 1ieh n SER 119 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1ieh n SER 119 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1ieh n SER 119 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ieh n GLU 120 N -0.48 0.00 -1.76 4.33 1.02 -1.26 -4.76 120.64 117.73 1ieh n GLU 120 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1ieh n GLU 120 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1ieh n GLU 120 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ieh n GLN 121 N 0.00 2.65 -4.05 3.49 6.02 -1.26 -5.00 117.38 119.23 1ieh n GLN 121 Ca 0.00 0.93 -0.31 0.00 -0.01 0.00 0.00 57.00 57.61 1ieh n GLN 121 Cb 0.00 -2.67 -0.16 0.00 1.02 0.00 0.00 30.24 28.43 1ieh n GLN 121 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1ieh s LYS 122 N -1.63 2.43 -0.57 -1.09 2.47 -1.26 -4.86 119.74 115.23 1ieh s LYS 122 Ca 0.56 -0.83 -0.13 0.00 -1.56 0.00 0.00 55.97 54.01 1ieh s LYS 122 Cb -0.49 -2.45 0.02 0.00 -1.46 0.00 0.00 37.83 33.45 1ieh s LYS 122 CO 0.59 -0.33 0.64 -0.11 0.16 0.00 0.00 175.35 176.31 1ieh n LEU 123 N 4.65 -6.32 -3.62 5.43 0.00 -1.26 -5.04 117.00 110.84 1ieh n LEU 123 Ca -0.17 0.12 -0.05 0.00 0.00 0.00 0.00 56.01 55.90 1ieh n LEU 123 Cb 0.48 -2.98 -0.05 0.00 0.00 0.00 0.00 43.42 40.87 1ieh n LEU 123 CO 0.22 -1.41 1.02 -0.51 0.00 0.00 0.00 177.39 176.71 1ieh s ILE 124 N -2.61 0.00 0.00 1.96 2.07 -1.26 -5.11 121.20 116.24 1ieh s ILE 124 Ca 0.17 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 1ieh s ILE 124 Cb -0.04 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.55 1ieh s ILE 124 CO 0.79 0.00 0.00 -0.24 -1.91 0.00 0.00 174.94 173.58 1ieh n SER 125 N 0.81 0.00 -3.29 4.50 2.88 -1.26 -5.08 113.62 112.18 1ieh n SER 125 Ca -0.05 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.27 1ieh n SER 125 Cb 0.58 -0.14 0.17 0.00 -0.75 0.00 0.00 64.21 64.07 1ieh n SER 125 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ieh n GLU 126 N -2.24 -2.15 0.00 -1.46 0.28 -1.26 -4.88 120.64 108.92 1ieh n GLU 126 Ca 0.00 -1.32 0.00 0.00 -0.16 0.00 0.00 57.16 55.68 1ieh n GLU 126 Cb 0.00 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1ieh n GLU 126 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ieh n GLU 127 N -3.70 0.00 -2.05 3.44 2.13 -1.26 -5.01 120.64 114.20 1ieh n GLU 127 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1ieh n GLU 127 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.13 1ieh n GLU 127 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ieh n ASP 128 N -3.24 -8.33 0.00 4.31 8.00 -1.26 -4.84 116.55 111.19 1ieh n ASP 128 Ca 0.00 1.45 0.00 0.00 0.71 0.00 0.00 54.79 56.95 1ieh n ASP 128 Cb 0.00 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 36.52 1ieh n ASP 128 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ieh n LEU 129 N 1.60 0.00 -0.61 0.64 4.32 -1.26 -4.85 117.00 116.85 1ieh n LEU 129 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.91 1ieh n LEU 129 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 1ieh n LEU 129 CO 0.00 0.00 -0.08 -3.20 -1.22 0.00 0.00 177.39 172.89 1ieh n ASN 130 N -1.84 -5.57 -1.62 -1.43 2.85 -1.26 -4.42 115.26 101.97 1ieh n ASN 130 Ca 0.00 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1ieh n ASN 130 Cb 0.00 -3.76 0.00 0.00 1.24 0.00 0.00 39.78 37.26 1ieh n ASN 130 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1ieh n HIS 131 N -2.23 -3.92 0.35 1.20 8.25 -1.26 -4.88 115.22 112.72 1ieh n HIS 131 Ca -0.08 2.20 -0.17 0.00 -0.26 0.00 0.00 57.72 59.41 1ieh n HIS 131 Cb 0.53 -3.30 -0.09 0.00 1.12 0.00 0.00 29.99 28.25 1ieh n HIS 131 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1ieh h HIS 132 N 2.93 -0.79 -3.82 4.41 2.76 -2.00 -3.43 115.15 115.20 1ieh h HIS 132 Ca 0.00 -0.02 -0.68 0.00 -2.20 0.00 0.00 60.37 57.47 1ieh h HIS 132 Cb 0.00 0.26 -0.23 0.00 1.55 0.00 0.00 27.41 28.99 1ieh h HIS 132 CO 0.00 -0.47 -0.75 -1.58 -1.30 0.00 0.00 177.93 173.82 1ieh s HIS 133 N -5.77 2.77 -0.20 5.26 5.65 -1.26 -5.03 115.29 116.71 1ieh s HIS 133 Ca -0.17 -0.22 -0.19 0.00 0.25 0.00 0.00 55.06 54.73 1ieh s HIS 133 Cb 0.03 -1.69 -0.20 0.00 -1.18 0.00 0.00 32.58 29.54 1ieh s HIS 133 CO 0.59 0.13 0.22 0.72 -0.65 0.00 0.00 174.74 175.75 1ieh n HIS 134 N 2.56 1.02 -0.45 3.88 -0.00 -1.26 -5.20 115.22 115.77 1ieh n HIS 134 Ca -0.17 0.40 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 1ieh n HIS 134 Cb 0.52 -1.11 0.00 0.00 -0.00 0.00 0.00 29.99 29.41 1ieh n HIS 134 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06