#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 2.10 -0.11 2.53 0.11 -1.26 -4.90 120.40 118.88 1ieh s VAL 2 Ca 0.00 -1.59 -0.04 0.00 -2.93 0.00 0.00 61.98 57.43 1ieh s VAL 2 Cb 0.00 -2.22 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1ieh s VAL 2 CO 0.00 -0.03 0.04 -1.58 -3.33 0.00 0.00 175.10 170.21 1ieh s GLN 3 N 1.13 3.23 0.28 1.54 0.74 -1.26 -5.02 119.66 120.30 1ieh s GLN 3 Ca -0.08 -0.33 0.09 0.00 0.05 0.00 0.00 55.36 55.08 1ieh s GLN 3 Cb -0.20 -2.95 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 1ieh s GLN 3 CO -0.05 0.66 0.09 -0.51 -0.55 0.00 0.00 175.29 174.93 1ieh s LEU 4 N -0.75 3.39 -0.29 3.68 1.43 -1.26 -3.90 118.68 120.98 1ieh s LEU 4 Ca 0.12 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1ieh s LEU 4 Cb -0.12 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.25 1ieh s LEU 4 CO 0.03 -0.07 -0.03 -1.58 0.23 0.00 0.00 176.35 174.92 1ieh s GLN 5 N -3.76 2.23 -0.01 1.70 0.74 0.12 -3.12 119.66 117.57 1ieh s GLN 5 Ca 0.33 -1.39 -0.20 0.00 0.05 0.00 0.00 55.36 54.15 1ieh s GLN 5 Cb -0.06 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 30.92 1ieh s GLN 5 CO 0.22 -0.65 0.58 0.00 -0.55 0.00 0.00 175.29 174.89 1ieh s ALA 6 N 1.15 3.49 0.28 1.58 0.00 -1.26 -1.83 121.76 125.17 1ieh s ALA 6 Ca -0.05 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 1ieh s ALA 6 Cb -0.20 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 20.24 1ieh s ALA 6 CO -0.04 0.17 0.82 0.45 0.00 0.00 0.00 175.76 177.17 1ieh s SER 7 N -0.19 -0.12 0.00 0.00 0.15 -0.99 -4.27 113.70 108.28 1ieh s SER 7 Ca 0.30 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1ieh s SER 7 Cb -0.18 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1ieh s SER 7 CO 0.17 -1.35 0.00 0.61 1.20 0.00 0.00 173.24 173.87 1ieh n GLY 8 N -0.52 0.74 3.67 9.45 0.00 -1.26 -1.84 105.19 115.43 1ieh n GLY 8 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 1ieh n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 9 N -1.04 1.69 1.59 -0.02 0.00 -1.26 -4.62 105.19 101.54 1ieh n GLY 9 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 46.02 46.73 1ieh n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 10 N 4.50 3.80 3.34 -0.02 0.00 -1.21 -4.74 105.19 110.87 1ieh n GLY 10 Ca 0.21 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 2.67 0.00 0.99 2.01 -1.26 -2.43 118.68 120.66 1ieh s LEU 11 Ca 0.05 -0.36 0.02 0.00 0.01 0.00 0.00 54.13 53.85 1ieh s LEU 11 Cb 0.00 -1.61 -0.01 0.00 0.01 0.00 0.00 46.19 44.59 1ieh s LEU 11 CO 0.04 0.14 0.07 0.55 1.01 0.00 0.00 176.35 178.16 1ieh n VAL 12 N 3.72 0.00 -4.26 -1.59 3.14 -0.88 -4.87 118.33 113.59 1ieh n VAL 12 Ca -0.18 -0.79 -0.17 0.00 -2.96 0.00 0.00 64.34 60.23 1ieh n VAL 12 Cb 0.52 0.35 -0.11 0.00 -1.06 0.00 0.00 33.84 33.55 1ieh n VAL 12 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1ieh s GLN 13 N -2.47 1.09 -0.52 1.45 -0.21 -1.26 0.31 119.66 118.04 1ieh s GLN 13 Ca 0.11 -1.36 -0.34 0.00 0.02 0.00 0.00 55.36 53.79 1ieh s GLN 13 Cb 0.01 -0.88 -0.14 0.00 1.00 0.00 0.00 33.01 33.00 1ieh s GLN 13 CO 0.07 0.15 2.33 -2.30 -2.12 0.00 0.00 175.29 173.43 1ieh n PRO 14 N 0.18 0.74 0.00 2.91 -0.02 -1.25 0.21 135.00 137.77 1ieh n PRO 14 Ca -0.13 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1ieh n PRO 14 Cb 0.58 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 6.54 1.06 0.00 -1.23 0.00 -1.17 -4.94 105.19 105.46 1ieh n GLY 15 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.98 1.04 3.23 -0.02 0.00 0.13 -4.82 105.19 103.76 1ieh n GLY 16 Ca 0.00 -1.52 0.04 0.00 0.00 0.00 0.00 46.02 44.54 1ieh n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ieh s SER 17 N -1.00 -0.80 -0.09 1.61 0.15 -1.26 -4.37 113.70 107.94 1ieh s SER 17 Ca 0.00 0.64 0.03 0.00 0.70 0.00 0.00 55.95 57.32 1ieh s SER 17 Cb 0.00 1.73 0.00 0.00 -1.71 0.00 0.00 66.02 66.04 1ieh s SER 17 CO 0.00 -0.15 -0.20 -0.22 1.20 0.00 0.00 173.24 173.87 1ieh s LEU 18 N 2.82 1.95 -0.30 3.45 2.96 -0.91 -4.95 118.68 123.70 1ieh s LEU 18 Ca 0.05 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1ieh s LEU 18 Cb -0.11 -1.23 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 1ieh s LEU 18 CO -0.16 0.11 0.13 -0.60 -1.32 0.00 0.00 176.35 174.52 1ieh s ARG 19 N 0.48 3.42 0.07 1.98 3.52 -1.26 -0.67 118.95 126.50 1ieh s ARG 19 Ca -0.17 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 1ieh s ARG 19 Cb -0.17 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1ieh s ARG 19 CO 0.07 -0.36 0.07 0.14 -0.81 0.00 0.00 175.30 174.41 1ieh s VAL 20 N 1.62 4.50 0.31 7.11 -7.23 -0.89 -4.87 120.40 120.95 1ieh s VAL 20 Ca 0.05 -0.76 0.09 0.00 -1.81 0.00 0.00 61.98 59.55 1ieh s VAL 20 Cb -0.17 -3.16 -0.06 0.00 0.56 0.00 0.00 36.38 33.56 1ieh s VAL 20 CO 0.06 0.14 -0.09 -0.94 -0.31 0.00 0.00 175.10 173.96 1ieh s SER 21 N -2.33 3.31 -0.26 4.85 1.04 -0.77 -1.76 113.70 117.79 1ieh s SER 21 Ca 0.28 -1.18 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 1ieh s SER 21 Cb -0.12 -0.27 0.13 0.00 0.10 0.00 0.00 66.02 65.86 1ieh s SER 21 CO 0.21 -0.24 0.30 0.00 0.98 0.00 0.00 173.24 174.50 1ieh s ALA 23 N 2.41 3.25 -0.02 0.00 0.00 -0.76 -0.41 121.76 126.22 1ieh s ALA 23 Ca 0.09 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.04 1ieh s ALA 23 Cb -0.15 -2.63 0.10 0.00 0.00 0.00 0.00 23.12 20.45 1ieh s ALA 23 CO -0.24 -0.94 0.89 0.00 0.00 0.00 0.00 175.76 175.47 1ieh s ALA 24 N -3.07 -1.83 -0.29 0.00 0.00 -1.01 -0.70 121.76 114.86 1ieh s ALA 24 Ca 0.56 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.63 1ieh s ALA 24 Cb -0.11 0.26 0.17 0.00 0.00 0.00 0.00 23.12 23.44 1ieh s ALA 24 CO 0.45 -0.62 0.46 -1.12 0.00 0.00 0.00 175.76 174.93 1ieh s SER 25 N -2.25 -0.25 0.00 0.00 0.01 -1.25 -4.71 113.70 105.26 1ieh s SER 25 Ca 0.03 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1ieh s SER 25 Cb -0.01 1.41 0.00 0.00 0.21 0.00 0.00 66.02 67.63 1ieh s SER 25 CO -0.07 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1ieh n GLY 26 N 5.38 0.00 0.00 3.44 0.00 -1.26 -4.61 105.19 108.13 1ieh n GLY 26 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.19 1.61 -1.74 -1.26 -4.71 117.46 110.17 1ieh n PHE 27 Ca 0.00 0.00 0.14 0.00 -0.56 0.00 0.00 57.45 57.03 1ieh n PHE 27 Cb 0.00 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 40.92 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 -0.82 -2.52 1.97 -1.04 -1.26 -4.90 114.28 105.70 1ieh n THR 28 Ca 0.00 0.80 0.00 0.00 -2.04 0.00 0.00 64.05 62.81 1ieh n THR 28 Cb 0.00 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 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 -3.91 -1.45 -1.24 -1.42 3.01 -1.26 -4.51 117.46 106.68 1ieh n PHE 29 Ca -0.08 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.30 1ieh n PHE 29 Cb 0.56 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.00 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 -1.47 -5.69 0.00 4.37 2.88 -1.26 -4.57 113.62 107.88 1ieh n SER 30 Ca 0.00 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1ieh n SER 30 Cb 0.00 -4.01 0.00 0.00 -0.75 0.00 0.00 64.21 59.45 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 -1.10 0.81 -4.79 -3.46 7.64 -1.26 -4.74 113.62 106.73 1ieh n SER 31 Ca -0.09 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.55 1ieh n SER 31 Cb 0.57 0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.19 3.08 -0.76 1.43 1.51 -1.26 -4.90 117.35 115.25 1ieh s TYR 32 Ca 0.00 -0.08 -0.19 0.00 -1.01 0.00 0.00 57.07 55.79 1ieh s TYR 32 Cb 0.00 -1.44 0.12 0.00 -0.11 0.00 0.00 41.96 40.54 1ieh s TYR 32 CO 0.00 0.53 0.92 -1.01 -1.11 0.00 0.00 175.55 174.88 1ieh s HIS 33 N -1.93 3.08 0.77 2.71 3.76 -1.26 -4.64 115.29 117.77 1ieh s HIS 33 Ca 0.31 -1.17 -0.09 0.00 -0.15 0.00 0.00 55.06 53.97 1ieh s HIS 33 Cb -0.09 -4.14 0.09 0.00 1.11 0.00 0.00 32.58 29.55 1ieh s HIS 33 CO 0.23 -1.40 1.09 -1.64 -0.85 0.00 0.00 174.74 172.18 1ieh s MET 34 N 2.64 1.84 0.03 1.40 -1.94 -1.23 0.29 119.30 122.33 1ieh s MET 34 Ca 0.22 -0.30 -0.15 0.00 -1.71 0.00 0.00 55.69 53.75 1ieh s MET 34 Cb -0.14 -2.09 0.02 0.00 2.01 0.00 0.00 34.83 34.63 1ieh s MET 34 CO -0.01 -1.52 0.33 0.00 -0.01 0.00 0.00 175.02 173.81 1ieh s ALA 35 N -3.40 -0.76 -0.39 3.03 0.00 0.47 -2.17 121.76 118.53 1ieh s ALA 35 Ca 0.63 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 1ieh s ALA 35 Cb -0.09 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.35 1ieh s ALA 35 CO 0.47 -0.39 0.23 -1.58 0.00 0.00 0.00 175.76 174.49 1ieh s TRP 36 N -2.31 3.26 0.35 0.00 0.52 0.36 -2.26 118.94 118.86 1ieh s TRP 36 Ca -0.07 -1.04 0.07 0.00 0.02 0.00 0.00 56.10 55.08 1ieh s TRP 36 Cb -0.02 -2.58 -0.01 0.00 -1.15 0.00 0.00 33.47 29.71 1ieh s TRP 36 CO -0.02 -0.69 0.47 0.08 0.02 0.00 0.00 176.95 176.81 1ieh s VAL 37 N 1.54 3.82 0.01 4.03 1.01 0.18 -2.64 120.40 128.36 1ieh s VAL 37 Ca 0.02 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 1ieh s VAL 37 Cb -0.20 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1ieh s VAL 37 CO 0.06 -0.13 0.30 -0.60 0.00 0.00 0.00 175.10 174.73 1ieh s ARG 38 N -4.19 0.73 -0.03 2.72 3.52 -0.58 0.00 118.95 121.12 1ieh s ARG 38 Ca 0.46 -0.36 -0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1ieh s ARG 38 Cb -0.09 0.32 0.03 0.00 -1.56 0.00 0.00 34.95 33.64 1ieh s ARG 38 CO 0.31 -0.22 0.01 -1.14 -0.81 0.00 0.00 175.30 173.45 1ieh s GLN 39 N -1.93 0.22 0.43 5.12 0.74 0.14 -1.21 119.66 123.17 1ieh s GLN 39 Ca -0.09 0.13 0.03 0.00 0.05 0.00 0.00 55.36 55.48 1ieh s GLN 39 Cb -0.03 -0.47 -0.02 0.00 1.10 0.00 0.00 33.01 33.59 1ieh s GLN 39 CO 0.00 -0.17 0.11 0.00 -0.55 0.00 0.00 175.29 174.69 1ieh s ALA 40 N 1.21 3.18 0.02 1.58 0.00 -1.26 -0.82 121.76 125.66 1ieh s ALA 40 Ca -0.07 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 1ieh s ALA 40 Cb -0.13 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1ieh s ALA 40 CO -0.02 -0.28 0.58 -2.30 0.00 0.00 0.00 175.76 173.73 1ieh n PRO 41 N -0.99 -0.05 0.05 0.00 -0.02 -1.26 0.23 135.00 132.96 1ieh n PRO 41 Ca -0.09 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 1ieh n PRO 41 Cb 0.65 -0.86 0.54 0.00 -0.02 0.00 0.00 33.50 33.82 1ieh n PRO 41 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ieh h GLY 42 N 0.00 0.34 -1.69 -1.23 0.00 -2.00 -3.47 103.07 95.01 1ieh h GLY 42 Ca 0.02 -0.11 0.21 0.00 0.00 0.00 0.00 47.33 47.44 1ieh h GLY 42 CO -0.10 0.09 -0.27 0.58 0.00 0.00 0.00 176.54 176.84 1ieh n LYS 43 N -4.48 -1.53 0.00 4.80 2.85 0.63 -4.98 118.16 115.45 1ieh n LYS 43 Ca 0.04 1.01 0.00 0.00 -1.05 0.00 0.00 58.31 58.31 1ieh n LYS 43 Cb 0.22 -1.87 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 1ieh n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ieh n GLY 44 N -2.32 0.78 1.65 2.58 0.00 -1.26 -4.86 105.19 101.75 1ieh n GLY 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -4.28 -3.92 0.99 7.94 -1.24 -5.01 117.00 111.47 1ieh n LEU 45 Ca 0.00 3.01 -0.26 0.00 -1.11 0.00 0.00 56.01 57.65 1ieh n LEU 45 Cb 0.00 -2.87 -0.17 0.00 0.53 0.00 0.00 43.42 40.91 1ieh n LEU 45 CO 0.00 -0.10 -0.44 -0.70 -1.11 0.00 0.00 177.39 175.03 1ieh s GLU 46 N -3.02 1.52 0.55 1.96 2.12 -0.35 -4.92 118.70 116.56 1ieh s GLU 46 Ca 0.00 -0.27 0.26 0.00 0.36 0.00 0.00 54.97 55.32 1ieh s GLU 46 Cb 0.00 -1.52 1.47 0.00 0.26 0.00 0.00 34.13 34.34 1ieh s GLU 46 CO 0.00 -0.21 2.03 2.35 -0.54 0.00 0.00 175.26 178.89 1ieh h TRP 47 N 7.94 0.00 0.00 5.30 7.01 -1.89 -1.55 115.95 132.77 1ieh h TRP 47 Ca -0.30 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1ieh h TRP 47 Cb 1.14 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.20 1ieh h TRP 47 CO 0.48 0.00 0.00 0.28 -2.79 0.00 0.00 178.44 176.41 1ieh n VAL 48 N -4.14 0.00 -4.21 2.65 0.31 -1.24 -3.71 118.33 107.99 1ieh n VAL 48 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 1ieh n VAL 48 Cb 0.48 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 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 -3.13 1.75 -0.10 4.52 0.01 -1.08 -0.57 113.70 115.10 1ieh s SER 49 Ca 0.00 -0.82 -0.07 0.00 1.31 0.00 0.00 55.95 56.37 1ieh s SER 49 Cb 0.00 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.23 1ieh s SER 49 CO 0.00 -0.20 0.24 -0.89 0.41 0.00 0.00 173.24 172.80 1ieh s THR 50 N -2.32 -0.02 -0.03 1.44 2.01 -0.12 -0.49 115.64 116.12 1ieh s THR 50 Ca 0.08 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.19 1ieh s THR 50 Cb -0.04 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1ieh s THR 50 CO 0.02 0.02 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.27 1ieh s ILE 51 N 0.56 2.67 -0.23 1.82 2.07 -0.92 -1.89 121.20 125.28 1ieh s ILE 51 Ca -0.04 -0.91 -0.00 0.00 -1.41 0.00 0.00 60.65 58.29 1ieh s ILE 51 Cb -0.05 -2.01 0.03 0.00 0.13 0.00 0.00 42.46 40.55 1ieh s ILE 51 CO -0.03 0.56 -0.11 0.21 -1.91 0.00 0.00 174.94 173.66 1ieh s ASN 52 N -0.75 3.96 0.95 4.50 2.47 -1.19 -3.58 114.94 121.29 1ieh s ASN 52 Ca 0.11 -0.83 -0.12 0.00 0.42 0.00 0.00 52.86 52.44 1ieh s ASN 52 Cb -0.10 -1.60 0.16 0.00 -1.45 0.00 0.00 41.25 38.26 1ieh s ASN 52 CO 0.00 -0.09 1.09 -2.16 -3.72 0.00 0.00 177.10 172.23 1ieh s PRO 53 N 1.30 0.84 0.00 0.43 0.04 -1.26 -3.24 135.00 133.10 1ieh s PRO 53 Ca 0.01 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.84 1ieh s PRO 53 Cb -0.16 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1ieh s PRO 53 CO -0.07 -2.52 0.00 0.41 0.04 0.00 0.00 177.00 174.86 1ieh n GLY 54 N -0.87 2.08 0.02 0.56 0.00 -1.26 -4.54 105.19 101.18 1ieh n GLY 54 Ca 0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 1ieh n GLY 54 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ieh h ASP 55 N 0.00 0.00 0.00 1.61 5.19 -2.03 -3.49 116.42 117.70 1ieh h ASP 55 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ieh h ASP 55 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ieh h ASP 55 CO 0.00 0.16 0.00 0.61 -3.12 0.00 0.00 179.24 176.89 1ieh n GLY 56 N 1.89 0.39 3.68 2.75 0.00 -1.20 -5.12 105.19 107.59 1ieh n GLY 56 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1ieh n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ieh n SER 57 N 0.00 2.80 -4.52 1.61 7.64 -1.26 -4.79 113.62 115.10 1ieh n SER 57 Ca 0.00 1.16 -0.25 0.00 1.01 0.00 0.00 58.87 60.79 1ieh n SER 57 Cb 0.00 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 61.65 1ieh n SER 57 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ieh s THR 58 N -0.38 2.80 -0.05 0.44 -4.23 -1.26 -3.14 115.64 109.81 1ieh s THR 58 Ca 0.64 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1ieh s THR 58 Cb -0.62 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 70.81 1ieh s THR 58 CO 0.53 -0.25 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.97 1ieh s TYR 59 N -2.07 1.11 0.19 3.99 2.02 -0.79 -5.03 117.35 116.77 1ieh s TYR 59 Ca 0.27 -0.38 0.08 0.00 -0.37 0.00 0.00 57.07 56.67 1ieh s TYR 59 Cb -0.07 -0.87 -0.05 0.00 -0.40 0.00 0.00 41.96 40.58 1ieh s TYR 59 CO 0.15 -0.23 -0.15 0.71 -1.57 0.00 0.00 175.55 174.45 1ieh s TYR 60 N 0.77 1.70 -0.94 2.71 1.51 -1.26 -0.94 117.35 120.89 1ieh s TYR 60 Ca -0.13 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 1ieh s TYR 60 Cb -0.15 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1ieh s TYR 60 CO 0.02 0.34 0.44 0.00 -1.11 0.00 0.00 175.55 175.24 1ieh n ALA 61 N -0.22 2.25 0.00 3.71 0.00 0.26 -4.85 120.51 121.66 1ieh n ALA 61 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ieh n ALA 61 Cb 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1ieh n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ieh n ASP 62 N 0.11 0.00 -1.10 0.00 -0.08 -1.26 -4.52 116.55 109.70 1ieh n ASP 62 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1ieh n ASP 62 Cb 0.22 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.69 1ieh n ASP 62 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1ieh n SER 63 N 2.95 3.21 0.00 1.67 7.64 -1.26 -2.90 113.62 124.93 1ieh n SER 63 Ca 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.77 1ieh n SER 63 Cb 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 0.48 0.00 -0.10 0.44 0.24 -1.26 -4.69 118.33 113.43 1ieh n VAL 64 Ca 0.03 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.51 1ieh n VAL 64 Cb 0.56 0.51 0.58 0.00 -1.47 0.00 0.00 33.84 34.02 1ieh n VAL 64 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ieh h LYS 65 N 0.00 0.25 -0.08 7.34 1.63 -1.78 -0.50 116.57 123.43 1ieh h LYS 65 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ieh h LYS 65 Cb 0.00 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1ieh h LYS 65 CO 0.00 0.16 0.00 0.41 -3.45 0.00 0.00 179.45 176.57 1ieh n GLY 66 N -1.57 0.52 0.04 5.01 0.00 -1.26 -4.75 105.19 103.17 1ieh n GLY 66 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 1ieh n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ieh n ARG 67 N 0.23 0.22 -4.15 1.61 3.00 -0.32 -4.88 116.66 112.37 1ieh n ARG 67 Ca 0.05 0.19 -0.22 0.00 -0.00 0.00 0.00 57.85 57.86 1ieh n ARG 67 Cb 0.22 -1.00 -0.06 0.00 0.00 0.00 0.00 32.46 31.63 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 -1.72 2.90 -0.10 -0.14 0.08 -0.47 -3.19 117.98 115.33 1ieh s PHE 68 Ca -0.10 -0.20 0.03 0.00 0.12 0.00 0.00 56.93 56.78 1ieh s PHE 68 Cb 0.01 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1ieh s PHE 68 CO 0.15 0.51 -0.19 0.99 -0.10 0.00 0.00 175.22 176.58 1ieh s THR 69 N -2.25 1.70 -0.14 0.64 2.01 -0.69 -4.61 115.64 112.30 1ieh s THR 69 Ca 0.34 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 1ieh s THR 69 Cb -0.07 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1ieh s THR 69 CO 0.23 0.48 0.11 -0.51 -0.69 0.00 0.00 174.62 174.24 1ieh s ILE 70 N 0.66 5.27 0.11 1.82 2.07 -1.26 -0.36 121.20 129.50 1ieh s ILE 70 Ca -0.13 0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.15 1ieh s ILE 70 Cb -0.16 -3.32 -0.00 0.00 0.13 0.00 0.00 42.46 39.10 1ieh s ILE 70 CO 0.03 0.55 0.22 -0.44 -1.91 0.00 0.00 174.94 173.40 1ieh s SER 71 N -0.50 0.09 -0.25 4.50 0.01 0.08 -5.00 113.70 112.63 1ieh s SER 71 Ca 0.12 -0.72 -0.26 0.00 1.31 0.00 0.00 55.95 56.39 1ieh s SER 71 Cb -0.12 0.37 0.11 0.00 0.21 0.00 0.00 66.02 66.60 1ieh s SER 71 CO 0.02 -0.78 0.95 -0.60 0.41 0.00 0.00 173.24 173.23 1ieh s ARG 72 N -3.90 0.62 0.15 12.44 3.52 -1.26 -1.97 118.95 128.54 1ieh s ARG 72 Ca 0.09 0.58 -0.20 0.00 -0.13 0.00 0.00 55.73 56.07 1ieh s ARG 72 Cb 0.04 0.30 -0.07 0.00 -1.56 0.00 0.00 34.95 33.66 1ieh s ARG 72 CO -0.07 -0.10 0.66 -0.51 -0.81 0.00 0.00 175.30 174.46 1ieh s ASP 73 N -0.04 7.10 -0.34 -2.12 1.01 -1.26 -4.97 116.67 116.04 1ieh s ASP 73 Ca 0.01 1.36 -0.03 0.00 0.71 0.00 0.00 52.55 54.60 1ieh s ASP 73 Cb -0.04 -2.40 0.06 0.00 1.01 0.00 0.00 42.92 41.55 1ieh s ASP 73 CO -0.03 0.16 2.65 -0.46 0.21 0.00 0.00 175.17 177.71 1ieh n ASN 74 N 1.26 6.28 0.01 0.27 6.94 -1.26 -4.31 115.26 124.44 1ieh n ASN 74 Ca -0.06 -3.05 0.00 0.00 -0.02 0.00 0.00 54.58 51.45 1ieh n ASN 74 Cb 0.51 -1.20 0.00 0.00 -2.36 0.00 0.00 39.78 36.72 1ieh n ASN 74 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ieh n ALA 75 N 0.95 0.68 -1.79 -2.53 0.00 -1.26 -4.93 120.51 111.63 1ieh n ALA 75 Ca 0.41 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 1ieh n ALA 75 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1ieh n ALA 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ieh s LYS 76 N -1.03 4.45 -1.16 0.00 2.20 -1.26 -4.73 119.74 118.20 1ieh s LYS 76 Ca 0.00 1.28 -0.21 0.00 -0.36 0.00 0.00 55.97 56.68 1ieh s LYS 76 Cb 0.00 -2.60 0.05 0.00 -1.51 0.00 0.00 37.83 33.77 1ieh s LYS 76 CO 0.00 0.16 1.65 0.54 -0.36 0.00 0.00 175.35 177.34 1ieh s ASN 77 N -1.78 6.49 0.08 1.43 4.22 -1.26 -4.64 114.94 119.48 1ieh s ASN 77 Ca 0.54 -1.91 -0.20 0.00 -2.14 0.00 0.00 52.86 49.15 1ieh s ASN 77 Cb -0.16 -2.58 0.05 0.00 1.28 0.00 0.00 41.25 39.84 1ieh s ASN 77 CO 0.21 -1.52 0.48 -0.89 -2.04 0.00 0.00 177.10 173.34 1ieh s THR 78 N 5.30 0.04 -0.07 0.54 2.01 -1.26 -2.40 115.64 119.80 1ieh s THR 78 Ca 0.53 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1ieh s THR 78 Cb 0.02 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1ieh s THR 78 CO 0.01 -0.19 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.45 1ieh s LEU 79 N -2.25 1.32 0.13 4.42 2.96 0.45 -4.27 118.68 121.44 1ieh s LEU 79 Ca -0.03 -0.23 0.11 0.00 -0.22 0.00 0.00 54.13 53.76 1ieh s LEU 79 Cb -0.00 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 1ieh s LEU 79 CO -0.05 -0.06 -0.27 -0.31 -1.32 0.00 0.00 176.35 174.34 1ieh s TYR 80 N 1.15 2.29 0.00 5.38 1.51 -0.83 0.16 117.35 127.01 1ieh s TYR 80 Ca -0.06 -0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1ieh s TYR 80 Cb -0.14 -1.24 -0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1ieh s TYR 80 CO -0.01 0.33 0.00 -1.17 -1.11 0.00 0.00 175.55 173.60 1ieh s LEU 81 N -2.06 2.01 -0.41 -1.29 2.96 -0.72 -0.74 118.68 118.44 1ieh s LEU 81 Ca 0.14 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.82 1ieh s LEU 81 Cb -0.10 0.07 0.05 0.00 0.50 0.00 0.00 46.19 46.71 1ieh s LEU 81 CO 0.06 -0.08 0.26 -1.58 -1.32 0.00 0.00 176.35 173.69 1ieh s GLN 82 N -0.37 2.80 -0.69 1.98 2.00 0.51 -2.09 119.66 123.81 1ieh s GLN 82 Ca -0.04 -1.22 -0.24 0.00 -2.00 0.00 0.00 55.36 51.86 1ieh s GLN 82 Cb -0.03 -3.84 0.06 0.00 0.80 0.00 0.00 33.01 30.00 1ieh s GLN 82 CO -0.00 -0.83 1.07 -1.64 -0.50 0.00 0.00 175.29 173.40 1ieh s MET 83 N 1.55 3.14 0.39 1.67 -1.94 0.15 -1.70 119.30 122.55 1ieh s MET 83 Ca 0.03 -0.63 0.06 0.00 -1.71 0.00 0.00 55.69 53.43 1ieh s MET 83 Cb -0.21 -4.22 -0.07 0.00 2.01 0.00 0.00 34.83 32.34 1ieh s MET 83 CO 0.06 -1.93 0.02 -0.80 -0.01 0.00 0.00 175.02 172.36 1ieh s ASN 84 N 3.71 3.44 -1.47 3.03 -0.87 -1.19 -2.15 114.94 119.43 1ieh s ASN 84 Ca 0.27 -1.37 -0.03 0.00 -1.57 0.00 0.00 52.86 50.15 1ieh s ASN 84 Cb -0.14 -0.30 0.01 0.00 -0.02 0.00 0.00 41.25 40.80 1ieh s ASN 84 CO 0.12 -0.50 0.32 -1.20 -2.57 0.00 0.00 177.10 173.27 1ieh n SER 85 N -0.89 -5.24 -4.70 -1.22 7.64 -1.26 -4.57 113.62 103.38 1ieh n SER 85 Ca -0.04 -0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.27 1ieh n SER 85 Cb 0.67 -4.32 -0.03 0.00 -1.01 0.00 0.00 64.21 59.52 1ieh n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ieh s LEU 86 N -6.29 4.38 -0.05 -3.43 1.02 -1.26 -4.83 118.68 108.22 1ieh s LEU 86 Ca 0.19 2.70 -0.01 0.00 0.02 0.00 0.00 54.13 57.03 1ieh s LEU 86 Cb -0.09 -3.58 -0.03 0.00 0.02 0.00 0.00 46.19 42.52 1ieh s LEU 86 CO 0.23 -0.94 -0.05 2.29 0.02 0.00 0.00 176.35 177.89 1ieh n LYS 87 N 5.02 0.12 0.00 1.70 0.00 -1.26 -3.03 118.16 120.71 1ieh n LYS 87 Ca 0.16 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1ieh n LYS 87 Cb 0.38 -0.90 0.00 0.00 -0.00 0.00 0.00 35.03 34.51 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 -2.93 0.00 0.28 -5.58 2.88 -1.26 -4.90 113.62 102.11 1ieh n SER 88 Ca -0.09 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.60 1ieh n SER 88 Cb 0.58 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.85 1ieh n SER 88 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1ieh h GLU 89 N 0.00 0.00 -0.44 -1.46 4.11 -1.97 -2.70 114.58 112.13 1ieh h GLU 89 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ieh h GLU 89 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ieh h GLU 89 CO 0.00 0.07 0.29 -0.44 0.07 0.00 0.00 179.01 179.01 1ieh h ASP 90 N 0.00 0.51 -0.51 3.06 5.19 -1.95 -3.41 116.42 119.32 1ieh h ASP 90 Ca -0.00 -0.01 -0.47 0.00 -0.62 0.00 0.00 57.03 55.93 1ieh h ASP 90 Cb 0.31 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 39.63 1ieh h ASP 90 CO 0.01 0.37 1.69 0.41 -3.12 0.00 0.00 179.24 178.60 1ieh n THR 91 N -4.78 -0.03 0.00 0.35 -1.04 -1.02 -4.75 114.28 103.01 1ieh n THR 91 Ca 0.01 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1ieh n THR 91 Cb 0.02 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 1ieh n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ieh n ALA 92 N 12.16 0.00 -2.46 2.41 0.00 0.15 -4.78 120.51 128.00 1ieh n ALA 92 Ca 0.57 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.63 1ieh n ALA 92 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 1ieh n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ieh s VAL 93 N -2.00 4.97 -0.07 0.00 1.01 -0.00 -1.86 120.40 122.45 1ieh s VAL 93 Ca 0.00 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.91 1ieh s VAL 93 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1ieh s VAL 93 CO 0.00 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.16 1ieh s TYR 94 N -1.12 2.64 0.40 5.22 1.51 -0.63 0.23 117.35 125.60 1ieh s TYR 94 Ca 0.26 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.97 1ieh s TYR 94 Cb -0.17 -1.66 -0.06 0.00 -0.11 0.00 0.00 41.96 39.96 1ieh s TYR 94 CO 0.15 -0.01 0.11 0.71 -1.11 0.00 0.00 175.55 175.39 1ieh s TYR 95 N -0.34 2.58 -0.02 2.71 2.02 0.10 -2.36 117.35 122.04 1ieh s TYR 95 Ca 0.03 -0.58 -0.03 0.00 -0.37 0.00 0.00 57.07 56.12 1ieh s TYR 95 Cb -0.13 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 1ieh s TYR 95 CO 0.02 0.31 0.08 0.00 -1.57 0.00 0.00 175.55 174.39 1ieh s ALA 97 N -0.24 -1.50 0.31 0.00 0.00 -0.96 -1.46 121.76 117.91 1ieh s ALA 97 Ca -0.03 0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 1ieh s ALA 97 Cb -0.02 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.75 1ieh s ALA 97 CO 0.00 -0.94 0.77 0.21 0.00 0.00 0.00 175.76 175.80 1ieh s LYS 98 N -3.60 4.13 -0.01 0.00 2.20 -1.26 -0.39 119.74 120.81 1ieh s LYS 98 Ca 0.08 0.81 -0.21 0.00 -0.36 0.00 0.00 55.97 56.29 1ieh s LYS 98 Cb -0.03 -2.55 -0.05 0.00 -1.51 0.00 0.00 37.83 33.69 1ieh s LYS 98 CO -0.01 0.21 0.63 -0.47 -0.36 0.00 0.00 175.35 175.35 1ieh s TYR 99 N -1.85 3.68 -0.29 4.03 5.04 0.15 -4.28 117.35 123.82 1ieh s TYR 99 Ca 0.52 1.24 -0.21 0.00 -2.44 0.00 0.00 57.07 56.17 1ieh s TYR 99 Cb -0.12 -2.66 0.15 0.00 0.35 0.00 0.00 41.96 39.67 1ieh s TYR 99 CO 0.18 0.31 1.10 0.45 -1.34 0.00 0.00 175.55 176.25 1ieh s SER 100 N -0.05 -0.37 0.00 4.32 0.15 -1.26 -4.73 113.70 111.75 1ieh s SER 100 Ca 0.33 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1ieh s SER 100 Cb -0.18 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1ieh s SER 100 CO 0.18 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1ieh n GLY 101 N 2.65 2.44 0.56 9.45 0.00 -1.26 -3.18 105.19 115.85 1ieh n GLY 101 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 0.58 2.92 -0.02 0.00 -1.26 -5.05 105.19 100.37 1ieh n GLY 102 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.31 0.87 0.56 4.61 0.00 -1.19 -5.13 121.76 119.17 1ieh s ALA 103 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.58 1ieh s ALA 103 Cb 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1ieh s ALA 103 CO 0.00 -0.02 1.20 -1.17 0.00 0.00 0.00 175.76 175.76 1ieh s LEU 104 N 0.94 3.75 -0.23 0.00 1.98 -1.26 -4.28 118.68 119.59 1ieh s LEU 104 Ca -0.10 2.36 0.08 0.00 -2.89 0.00 0.00 54.13 53.58 1ieh s LEU 104 Cb -0.15 -4.51 -0.21 0.00 0.66 0.00 0.00 46.19 41.98 1ieh s LEU 104 CO 0.00 -1.41 -0.07 0.47 -1.89 0.00 0.00 176.35 173.46 1ieh n ASP 105 N -1.31 1.18 -1.79 3.68 9.92 -1.26 -5.06 116.55 121.91 1ieh n ASP 105 Ca 0.12 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1ieh n ASP 105 Cb 0.49 0.13 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1ieh n ASP 105 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ieh n ALA 106 N -3.03 -2.29 -3.00 2.24 0.00 -1.26 -5.06 120.51 108.10 1ieh n ALA 106 Ca -0.40 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ieh n ALA 106 Cb 1.06 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 1.37 0.00 -0.85 0.00 8.01 -0.54 -4.95 117.44 120.49 1ieh n TRP 107 Ca 0.00 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.30 1ieh n TRP 107 Cb 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 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 3.89 -1.90 0.05 6.99 0.00 -1.18 -4.09 105.19 108.94 1ieh n GLY 108 Ca 0.00 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.84 1ieh n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ieh n GLN 109 N -3.15 0.55 0.00 1.61 6.02 -1.25 -4.81 117.38 116.34 1ieh n GLN 109 Ca -0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1ieh n GLN 109 Cb 0.39 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1ieh n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ieh n GLY 110 N 1.27 0.59 3.75 1.08 0.00 -1.26 -4.97 105.19 105.65 1ieh n GLY 110 Ca -0.01 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 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 5.21 -0.60 2.61 -1.32 -0.99 -4.89 115.64 115.66 1ieh s THR 111 Ca 0.00 0.76 -0.25 0.00 -1.21 0.00 0.00 61.69 60.99 1ieh s THR 111 Cb 0.00 -3.72 0.04 0.00 -1.51 0.00 0.00 72.50 67.32 1ieh s THR 111 CO 0.00 0.41 1.03 -1.10 -2.21 0.00 0.00 174.62 172.75 1ieh s GLN 112 N 0.19 3.30 -0.24 7.08 -1.52 -1.26 -1.60 119.66 125.61 1ieh s GLN 112 Ca 0.22 -0.28 -0.02 0.00 -1.95 0.00 0.00 55.36 53.33 1ieh s GLN 112 Cb -0.15 -4.09 0.02 0.00 -0.22 0.00 0.00 33.01 28.57 1ieh s GLN 112 CO 0.08 -1.66 -0.06 0.08 -0.25 0.00 0.00 175.29 173.49 1ieh s VAL 113 N 4.37 3.03 0.03 1.09 1.01 -0.78 -3.29 120.40 125.86 1ieh s VAL 113 Ca 0.32 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1ieh s VAL 113 Cb -0.12 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1ieh s VAL 113 CO 0.18 0.27 -0.15 -0.89 0.00 0.00 0.00 175.10 174.52 1ieh s THR 114 N 1.38 1.15 -0.30 3.92 2.01 -1.02 0.30 115.64 123.07 1ieh s THR 114 Ca 0.02 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1ieh s THR 114 Cb -0.16 -1.03 0.08 0.00 0.01 0.00 0.00 72.50 71.41 1ieh s THR 114 CO -0.04 0.05 -0.01 0.54 -0.69 0.00 0.00 174.62 174.46 1ieh s VAL 115 N -0.79 2.16 0.00 3.82 0.11 -1.26 -2.07 120.40 122.37 1ieh s VAL 115 Ca 0.02 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.08 1ieh s VAL 115 Cb -0.08 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 1ieh s VAL 115 CO 0.01 -0.36 0.00 -0.24 -3.33 0.00 0.00 175.10 171.18 1ieh n SER 116 N 4.36 0.00 -0.79 3.54 2.88 0.15 -4.84 113.62 118.92 1ieh n SER 116 Ca -0.04 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.47 1ieh n SER 116 Cb 0.42 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 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 -0.44 -0.65 -3.46 3.41 -1.25 -3.97 113.62 107.26 1ieh n SER 117 Ca 0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1ieh n SER 117 Cb 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.02 1.58 -2.78 4.33 -0.00 -1.26 -5.03 117.38 114.24 1ieh n GLN 118 Ca -0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.80 1ieh n GLN 118 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 30.24 30.88 1ieh n GLN 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ieh n SER 119 N -0.86 -1.07 -2.71 2.61 7.64 -1.26 -4.63 113.62 113.34 1ieh n SER 119 Ca 0.00 -2.01 -0.06 0.00 1.01 0.00 0.00 58.87 57.81 1ieh n SER 119 Cb 0.00 1.86 0.07 0.00 -1.01 0.00 0.00 64.21 65.13 1ieh n SER 119 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ieh n GLU 120 N -0.32 1.30 0.17 1.43 -0.58 -1.26 -4.96 120.64 116.41 1ieh n GLU 120 Ca -0.02 -2.62 0.00 0.00 -0.42 0.00 0.00 57.16 54.09 1ieh n GLU 120 Cb 0.34 -0.75 0.00 0.00 -0.57 0.00 0.00 31.44 30.46 1ieh n GLU 120 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1ieh n GLN 121 N -0.52 0.00 -3.83 3.49 7.27 -1.26 -5.13 117.38 117.41 1ieh n GLN 121 Ca 0.02 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.73 1ieh n GLN 121 Cb 0.83 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.43 1ieh n GLN 121 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1ieh s LYS 122 N -1.67 3.51 0.06 3.69 2.20 -1.26 -4.87 119.74 121.40 1ieh s LYS 122 Ca 0.00 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1ieh s LYS 122 Cb 0.00 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1ieh s LYS 122 CO 0.00 0.71 0.00 -0.11 -0.36 0.00 0.00 175.35 175.59 1ieh n LEU 123 N 1.44 -6.03 -4.82 5.43 0.00 -1.26 -4.86 117.00 106.90 1ieh n LEU 123 Ca -0.15 2.63 -0.30 0.00 0.00 0.00 0.00 56.01 58.20 1ieh n LEU 123 Cb 0.54 -2.99 0.08 0.00 0.00 0.00 0.00 43.42 41.05 1ieh n LEU 123 CO 0.38 -2.37 0.72 0.27 0.00 0.00 0.00 177.39 176.39 1ieh s ILE 124 N -0.52 3.08 -0.18 1.96 -4.36 -1.26 -4.91 121.20 115.01 1ieh s ILE 124 Ca 0.00 0.35 0.11 0.00 -0.26 0.00 0.00 60.65 60.85 1ieh s ILE 124 Cb 0.00 -3.16 -0.23 0.00 1.25 0.00 0.00 42.46 40.32 1ieh s ILE 124 CO 0.00 -0.46 0.14 -1.20 0.24 0.00 0.00 174.94 173.66 1ieh n SER 125 N -3.35 0.81 -4.58 4.36 7.64 -1.26 -4.63 113.62 112.61 1ieh n SER 125 Ca 0.07 0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.68 1ieh n SER 125 Cb 0.57 0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 64.03 1ieh n SER 125 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1ieh s GLU 126 N -2.52 3.01 0.16 1.43 -1.05 -1.26 -4.60 118.70 113.87 1ieh s GLU 126 Ca -0.16 -1.33 0.00 0.00 -0.15 0.00 0.00 54.97 53.33 1ieh s GLU 126 Cb 0.07 -5.32 0.00 0.00 -0.44 0.00 0.00 34.13 28.44 1ieh s GLU 126 CO 0.77 -3.31 0.00 -1.91 0.95 0.00 0.00 175.26 171.76 1ieh n GLU 127 N 8.41 -4.78 -3.62 -4.83 2.13 -1.26 -5.05 120.64 111.64 1ieh n GLU 127 Ca 0.45 3.46 -0.17 0.00 0.66 0.00 0.00 57.16 61.56 1ieh n GLU 127 Cb 0.47 -3.70 -0.14 0.00 0.27 0.00 0.00 31.44 28.33 1ieh n GLU 127 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1ieh s ASP 128 N -0.45 0.87 0.00 4.31 -4.77 -1.26 -4.90 116.67 110.47 1ieh s ASP 128 Ca 0.00 0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.47 1ieh s ASP 128 Cb 0.00 0.38 0.00 0.00 -1.09 0.00 0.00 42.92 42.21 1ieh s ASP 128 CO 0.00 -0.27 0.00 0.00 0.70 0.00 0.00 175.17 175.60 1ieh n LEU 129 N 5.33 0.00 -0.02 2.11 -0.00 -1.26 -4.93 117.00 118.23 1ieh n LEU 129 Ca -0.05 -0.28 0.03 0.00 -0.00 0.00 0.00 56.01 55.71 1ieh n LEU 129 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.81 1ieh n LEU 129 CO 0.05 0.38 -0.75 0.59 -0.00 0.00 0.00 177.39 177.66 1ieh n ASN 130 N 0.00 1.72 0.19 1.45 4.13 -1.26 -4.41 115.26 117.08 1ieh n ASN 130 Ca 0.00 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.37 1ieh n ASN 130 Cb 0.36 1.41 0.13 0.00 -1.54 0.00 0.00 39.78 40.14 1ieh n ASN 130 CO 0.00 0.00 0.00 0.45 0.28 0.00 0.00 177.26 177.99 1ieh h HIS 131 N 0.00 0.00 -3.85 3.10 3.86 -1.98 -3.46 115.15 112.82 1ieh h HIS 131 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1ieh h HIS 131 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1ieh h HIS 131 CO 0.00 0.05 0.00 0.72 0.86 0.00 0.00 177.93 179.56 1ieh n HIS 132 N -3.05 -2.45 -5.12 2.45 8.25 -1.26 -5.13 115.22 108.91 1ieh n HIS 132 Ca 0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.19 1ieh n HIS 132 Cb 0.56 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.50 1ieh n HIS 132 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1ieh s HIS 133 N 1.09 2.22 0.00 4.41 0.09 -1.26 -5.02 115.29 116.82 1ieh s HIS 133 Ca 0.00 -0.70 -0.02 0.00 -0.00 0.00 0.00 55.06 54.35 1ieh s HIS 133 Cb 0.00 -1.47 -0.01 0.00 -0.00 0.00 0.00 32.58 31.10 1ieh s HIS 133 CO 0.00 -0.23 0.91 0.45 -0.00 0.00 0.00 174.74 175.87 1ieh h HIS 134 N 6.24 -0.05 0.00 1.40 3.86 -1.99 -3.53 115.15 121.08 1ieh h HIS 134 Ca -0.30 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1ieh h HIS 134 Cb 1.18 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1ieh h HIS 134 CO 0.44 -0.03 0.00 1.58 0.86 0.00 0.00 177.93 180.78