#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 1.97 -0.08 2.53 -7.23 -1.26 -4.94 120.40 111.39 1ieh s VAL 2 Ca 0.00 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.24 1ieh s VAL 2 Cb 0.00 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.23 1ieh s VAL 2 CO 0.00 0.54 -0.14 -1.58 -0.31 0.00 0.00 175.10 173.60 1ieh s GLN 3 N 0.51 1.98 0.34 4.82 0.74 -1.25 -4.96 119.66 121.85 1ieh s GLN 3 Ca -0.15 -0.50 0.02 0.00 0.05 0.00 0.00 55.36 54.78 1ieh s GLN 3 Cb -0.17 -1.63 0.02 0.00 1.10 0.00 0.00 33.01 32.33 1ieh s GLN 3 CO 0.05 0.02 0.17 1.28 -0.55 0.00 0.00 175.29 176.27 1ieh n LEU 4 N 3.87 0.00 -3.48 3.68 4.77 -1.26 -3.15 117.00 121.44 1ieh n LEU 4 Ca -0.21 -1.89 -0.15 0.00 -0.03 0.00 0.00 56.01 53.73 1ieh n LEU 4 Cb 0.52 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 1ieh n LEU 4 CO 0.25 -0.41 -0.14 -1.58 -1.33 0.00 0.00 177.39 174.18 1ieh s GLN 5 N -3.34 0.23 -0.32 3.23 0.74 -1.00 -3.67 119.66 115.52 1ieh s GLN 5 Ca 0.13 0.41 -0.17 0.00 0.05 0.00 0.00 55.36 55.78 1ieh s GLN 5 Cb -0.01 -0.78 -0.01 0.00 1.10 0.00 0.00 33.01 33.31 1ieh s GLN 5 CO 0.08 -0.58 0.47 0.00 -0.55 0.00 0.00 175.29 174.71 1ieh s ALA 6 N 2.41 3.51 -0.00 1.58 0.00 -1.19 -0.43 121.76 127.64 1ieh s ALA 6 Ca 0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1ieh s ALA 6 Cb -0.15 -2.92 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 1ieh s ALA 6 CO -0.13 -1.03 0.07 0.45 0.00 0.00 0.00 175.76 175.13 1ieh s SER 7 N 1.70 0.05 0.00 0.00 0.15 0.72 -3.67 113.70 112.65 1ieh s SER 7 Ca 0.17 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1ieh s SER 7 Cb -0.16 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1ieh s SER 7 CO 0.12 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1ieh n GLY 8 N 2.02 -0.01 3.76 9.45 0.00 -1.26 -1.73 105.19 117.42 1ieh n GLY 8 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 1.21 1.42 -0.02 0.00 -1.26 -4.47 105.19 102.08 1ieh n GLY 9 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 1.02 3.66 3.27 -0.02 0.00 -1.26 -4.80 105.19 107.08 1ieh n GLY 10 Ca 0.04 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 1ieh n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ieh s LEU 11 N 0.00 4.37 0.00 0.99 1.98 -1.26 -2.42 118.68 122.34 1ieh s LEU 11 Ca 0.12 -1.16 0.00 0.00 -2.89 0.00 0.00 54.13 50.21 1ieh s LEU 11 Cb 0.01 -1.88 -0.00 0.00 0.66 0.00 0.00 46.19 44.98 1ieh s LEU 11 CO 0.09 -0.34 0.02 1.33 -1.89 0.00 0.00 176.35 175.55 1ieh n VAL 12 N 4.82 0.00 -3.51 1.68 0.24 -0.98 -4.96 118.33 115.61 1ieh n VAL 12 Ca -0.12 -1.54 -0.20 0.00 -2.04 0.00 0.00 64.34 60.44 1ieh n VAL 12 Cb 0.45 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.15 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 -3.15 2.80 0.00 7.34 1.11 -1.25 -0.46 119.66 126.06 1ieh s GLN 13 Ca 0.02 -1.26 0.00 0.00 0.01 0.00 0.00 55.36 54.13 1ieh s GLN 13 Cb 0.00 -2.60 0.00 0.00 -1.01 0.00 0.00 33.01 29.40 1ieh s GLN 13 CO 0.02 -0.05 0.54 -2.30 0.01 0.00 0.00 175.29 173.51 1ieh n PRO 14 N -1.57 0.50 -0.89 2.91 -0.02 -1.26 -2.60 135.00 132.06 1ieh n PRO 14 Ca 0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.48 1ieh n PRO 14 Cb 0.60 -1.25 -0.01 0.00 -0.02 0.00 0.00 33.50 32.81 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 0.84 -0.12 0.00 -1.23 0.00 -1.21 -4.67 105.19 98.80 1ieh n GLY 15 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.09 2.46 3.47 -0.02 0.00 -1.07 -4.98 105.19 104.95 1ieh n GLY 16 Ca -0.09 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 0.23 -0.56 0.01 1.61 0.15 -1.26 -4.35 113.70 109.52 1ieh s SER 17 Ca 0.00 0.76 -0.04 0.00 0.70 0.00 0.00 55.95 57.37 1ieh s SER 17 Cb 0.00 0.71 -0.01 0.00 -1.71 0.00 0.00 66.02 65.02 1ieh s SER 17 CO 0.00 -0.46 0.06 -0.22 1.20 0.00 0.00 173.24 173.82 1ieh s LEU 18 N -0.76 1.86 -0.24 3.45 2.96 -0.78 -4.94 118.68 120.24 1ieh s LEU 18 Ca -0.08 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1ieh s LEU 18 Cb -0.02 0.41 0.07 0.00 0.50 0.00 0.00 46.19 47.14 1ieh s LEU 18 CO 0.06 -0.32 0.01 -0.60 -1.32 0.00 0.00 176.35 174.17 1ieh s ARG 19 N -1.35 1.12 0.04 1.98 3.52 -1.26 -0.62 118.95 122.37 1ieh s ARG 19 Ca -0.15 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.64 1ieh s ARG 19 Cb -0.08 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 1ieh s ARG 19 CO 0.00 -0.69 0.08 0.14 -0.81 0.00 0.00 175.30 174.03 1ieh s VAL 20 N 1.58 4.65 0.27 7.11 -7.23 -0.77 -4.70 120.40 121.31 1ieh s VAL 20 Ca -0.01 -0.57 0.05 0.00 -1.81 0.00 0.00 61.98 59.63 1ieh s VAL 20 Cb -0.18 -3.18 -0.06 0.00 0.56 0.00 0.00 36.38 33.53 1ieh s VAL 20 CO -0.10 0.24 -0.01 -0.94 -0.31 0.00 0.00 175.10 173.99 1ieh s SER 21 N -2.05 2.23 -0.26 4.85 1.04 -0.71 -1.06 113.70 117.76 1ieh s SER 21 Ca 0.26 -1.25 -0.02 0.00 0.48 0.00 0.00 55.95 55.43 1ieh s SER 21 Cb -0.12 -0.07 0.12 0.00 0.10 0.00 0.00 66.02 66.06 1ieh s SER 21 CO 0.18 -0.48 0.30 0.00 0.98 0.00 0.00 173.24 174.21 1ieh s ALA 23 N 2.40 2.99 0.81 0.00 0.00 0.43 -0.27 121.76 128.12 1ieh s ALA 23 Ca 0.09 -1.65 -0.08 0.00 0.00 0.00 0.00 51.96 50.33 1ieh s ALA 23 Cb -0.15 -3.99 0.14 0.00 0.00 0.00 0.00 23.12 19.12 1ieh s ALA 23 CO -0.23 -2.93 1.13 0.00 0.00 0.00 0.00 175.76 173.72 1ieh s ALA 24 N 4.62 3.00 -0.29 0.00 0.00 -0.69 -2.38 121.76 126.02 1ieh s ALA 24 Ca 0.27 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1ieh s ALA 24 Cb -0.14 -2.45 0.19 0.00 0.00 0.00 0.00 23.12 20.72 1ieh s ALA 24 CO 0.12 -1.79 0.67 -1.12 0.00 0.00 0.00 175.76 173.64 1ieh s SER 25 N -4.74 -1.36 0.00 0.00 0.01 -1.19 -4.82 113.70 101.60 1ieh s SER 25 Ca 0.68 0.37 0.00 0.00 1.31 0.00 0.00 55.95 58.31 1ieh s SER 25 Cb -0.06 1.95 0.00 0.00 0.21 0.00 0.00 66.02 68.12 1ieh s SER 25 CO 0.48 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1ieh n GLY 26 N 5.39 1.44 1.75 3.44 0.00 -1.26 -3.81 105.19 112.15 1ieh n GLY 26 Ca 0.03 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.40 0.00 1.61 1.16 -1.26 -5.03 117.46 113.54 1ieh n PHE 27 Ca 0.00 -1.52 0.00 0.00 -1.87 0.00 0.00 57.45 54.06 1ieh n PHE 27 Cb 0.00 0.15 0.00 0.00 -1.61 0.00 0.00 39.48 38.02 1ieh n PHE 27 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1ieh n THR 28 N -0.36 0.00 0.06 1.97 -1.04 -1.26 -4.80 114.28 108.85 1ieh n THR 28 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1ieh n THR 28 Cb 0.33 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.00 -2.66 0.14 -1.42 3.01 -1.26 -4.58 117.46 110.69 1ieh n PHE 29 Ca 0.00 0.41 0.03 0.00 1.01 0.00 0.00 57.45 58.89 1ieh n PHE 29 Cb 0.00 1.31 0.11 0.00 -0.01 0.00 0.00 39.48 40.89 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 -2.84 0.04 0.01 4.37 2.88 -1.26 -0.80 113.62 116.02 1ieh n SER 30 Ca 0.00 0.51 0.11 0.00 -1.33 0.00 0.00 58.87 58.16 1ieh n SER 30 Cb 0.00 -0.52 -0.12 0.00 -0.75 0.00 0.00 64.21 62.82 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 -1.55 0.33 -4.66 -3.46 7.64 -1.26 -4.71 113.62 105.95 1ieh n SER 31 Ca 0.01 -0.14 -0.27 0.00 1.01 0.00 0.00 58.87 59.48 1ieh n SER 31 Cb 0.05 1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 64.66 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 -3.38 2.55 -0.53 1.43 1.51 0.02 -5.09 117.35 113.86 1ieh s TYR 32 Ca -0.03 -0.63 -0.05 0.00 -1.01 0.00 0.00 57.07 55.35 1ieh s TYR 32 Cb 0.14 -1.83 0.14 0.00 -0.11 0.00 0.00 41.96 40.29 1ieh s TYR 32 CO 0.88 0.36 0.35 -1.01 -1.11 0.00 0.00 175.55 175.02 1ieh s HIS 33 N -2.66 3.50 0.60 2.71 3.76 -1.26 -4.70 115.29 117.23 1ieh s HIS 33 Ca 0.37 -2.41 -0.05 0.00 -0.15 0.00 0.00 55.06 52.82 1ieh s HIS 33 Cb 0.07 -3.30 0.02 0.00 1.11 0.00 0.00 32.58 30.49 1ieh s HIS 33 CO 0.20 -0.93 0.89 -1.64 -0.85 0.00 0.00 174.74 172.41 1ieh s MET 34 N 0.66 2.73 0.07 1.40 -1.94 -1.26 0.03 119.30 120.99 1ieh s MET 34 Ca 0.12 -0.19 -0.27 0.00 -1.71 0.00 0.00 55.69 53.64 1ieh s MET 34 Cb -0.22 -2.30 0.07 0.00 2.01 0.00 0.00 34.83 34.39 1ieh s MET 34 CO -0.03 -0.78 0.64 0.00 -0.01 0.00 0.00 175.02 174.83 1ieh s ALA 35 N -2.98 -1.68 0.05 3.03 0.00 -0.62 -2.30 121.76 117.27 1ieh s ALA 35 Ca 0.55 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.39 1ieh s ALA 35 Cb -0.10 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1ieh s ALA 35 CO 0.44 -0.59 0.08 -1.58 0.00 0.00 0.00 175.76 174.11 1ieh s TRP 36 N -2.61 3.23 0.31 0.00 0.52 0.13 -2.31 118.94 118.22 1ieh s TRP 36 Ca -0.04 0.13 0.08 0.00 0.02 0.00 0.00 56.10 56.28 1ieh s TRP 36 Cb -0.01 -1.67 -0.06 0.00 -1.15 0.00 0.00 33.47 30.58 1ieh s TRP 36 CO -0.03 0.53 -0.06 0.08 0.02 0.00 0.00 176.95 177.49 1ieh s VAL 37 N -1.31 1.87 -0.24 4.03 1.01 0.14 0.58 120.40 126.47 1ieh s VAL 37 Ca 0.27 -2.14 -0.20 0.00 0.00 0.00 0.00 61.98 59.91 1ieh s VAL 37 Cb -0.12 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.75 1ieh s VAL 37 CO 0.19 -0.23 0.62 -0.60 0.00 0.00 0.00 175.10 175.09 1ieh s ARG 38 N -3.69 0.71 -0.19 2.72 3.52 0.97 -1.62 118.95 121.38 1ieh s ARG 38 Ca 0.31 0.93 0.00 0.00 -0.13 0.00 0.00 55.73 56.84 1ieh s ARG 38 Cb 0.04 0.30 0.04 0.00 -1.56 0.00 0.00 34.95 33.77 1ieh s ARG 38 CO 0.14 -0.10 -0.07 -1.14 -0.81 0.00 0.00 175.30 173.32 1ieh s GLN 39 N 0.62 1.70 0.75 5.12 0.74 0.65 -0.33 119.66 128.91 1ieh s GLN 39 Ca -0.02 -0.70 -0.11 0.00 0.05 0.00 0.00 55.36 54.58 1ieh s GLN 39 Cb -0.05 -2.24 0.04 0.00 1.10 0.00 0.00 33.01 31.86 1ieh s GLN 39 CO -0.03 -0.45 1.09 0.00 -0.55 0.00 0.00 175.29 175.35 1ieh s ALA 40 N 1.51 2.55 0.44 1.58 0.00 -1.26 -2.24 121.76 124.35 1ieh s ALA 40 Ca -0.01 -0.20 0.17 0.00 0.00 0.00 0.00 51.96 51.92 1ieh s ALA 40 Cb -0.16 -3.09 0.92 0.00 0.00 0.00 0.00 23.12 20.79 1ieh s ALA 40 CO -0.08 -1.43 1.47 -1.00 0.00 0.00 0.00 175.76 174.72 1ieh h PRO 41 N -0.87 0.00 -2.03 0.00 0.13 -1.96 -2.81 132.00 124.46 1ieh h PRO 41 Ca -0.46 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.11 1ieh h PRO 41 Cb 1.25 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.99 1ieh h PRO 41 CO 0.60 0.00 -1.07 0.41 -0.23 0.00 0.00 178.00 177.71 1ieh n GLY 42 N -1.29 2.97 3.67 1.56 0.00 -1.26 -5.10 105.19 105.74 1ieh n GLY 42 Ca -0.01 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.22 1.03 -0.68 1.61 2.20 -1.06 -5.06 119.74 116.55 1ieh s LYS 43 Ca 0.35 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 55.45 1ieh s LYS 43 Cb 0.16 0.38 0.38 0.00 -1.51 0.00 0.00 37.83 37.24 1ieh s LYS 43 CO -0.11 -0.47 1.59 0.41 -0.36 0.00 0.00 175.35 176.41 1ieh n GLY 44 N -0.40 5.76 1.10 5.54 0.00 -1.26 -4.69 105.19 111.25 1ieh n GLY 44 Ca -0.07 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.47 -1.22 -3.70 0.99 7.94 -1.26 -5.05 117.00 114.23 1ieh n LEU 45 Ca 0.46 2.01 -0.11 0.00 -1.11 0.00 0.00 56.01 57.26 1ieh n LEU 45 Cb 0.41 -1.90 -0.10 0.00 0.53 0.00 0.00 43.42 42.36 1ieh n LEU 45 CO 0.43 -0.53 0.12 -0.70 -1.11 0.00 0.00 177.39 175.60 1ieh s GLU 46 N -4.96 0.48 -0.33 1.96 2.12 0.55 -4.93 118.70 113.59 1ieh s GLU 46 Ca 0.00 0.76 -0.29 0.00 0.36 0.00 0.00 54.97 55.80 1ieh s GLU 46 Cb 0.00 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.50 1ieh s GLU 46 CO 0.00 -0.12 1.55 -0.46 -0.54 0.00 0.00 175.26 175.70 1ieh s TRP 47 N 0.91 2.20 -0.11 5.30 -0.00 -1.26 -0.02 118.94 125.96 1ieh s TRP 47 Ca -0.05 0.65 -0.10 0.00 -0.00 0.00 0.00 56.10 56.60 1ieh s TRP 47 Cb -0.06 -4.14 -0.09 0.00 -0.00 0.00 0.00 33.47 29.19 1ieh s TRP 47 CO -0.07 -2.45 0.28 -0.39 -0.00 0.00 0.00 176.95 174.31 1ieh h VAL 48 N 6.43 0.58 -3.70 5.86 -1.51 -0.16 -3.36 116.25 120.39 1ieh h VAL 48 Ca -0.31 -1.41 -0.36 0.00 -1.23 0.00 0.00 66.70 63.39 1ieh h VAL 48 Cb 1.13 1.09 -0.18 0.00 -2.13 0.00 0.00 31.29 31.20 1ieh h VAL 48 CO 1.04 0.19 -0.75 -0.44 -1.23 0.00 0.00 177.57 176.39 1ieh s SER 49 N -5.74 1.65 0.00 4.19 0.01 -1.04 -1.83 113.70 110.94 1ieh s SER 49 Ca -0.06 -0.79 0.01 0.00 1.31 0.00 0.00 55.95 56.41 1ieh s SER 49 Cb -0.01 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.19 1ieh s SER 49 CO 0.23 -0.20 -0.02 -0.89 0.41 0.00 0.00 173.24 172.77 1ieh s THR 50 N -2.20 0.14 -0.03 1.44 2.01 0.36 0.22 115.64 117.58 1ieh s THR 50 Ca 0.06 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 61.91 1ieh s THR 50 Cb -0.04 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 1ieh s THR 50 CO 0.01 -0.05 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.17 1ieh s ILE 51 N -0.27 2.46 -0.16 1.82 2.07 -0.97 -2.26 121.20 123.89 1ieh s ILE 51 Ca -0.02 -0.97 -0.03 0.00 -1.41 0.00 0.00 60.65 58.22 1ieh s ILE 51 Cb -0.02 -1.91 -0.02 0.00 0.13 0.00 0.00 42.46 40.64 1ieh s ILE 51 CO -0.00 0.57 -0.05 0.21 -1.91 0.00 0.00 174.94 173.76 1ieh s ASN 52 N -0.70 4.64 0.52 4.50 3.84 -0.58 -4.15 114.94 123.01 1ieh s ASN 52 Ca 0.11 -0.18 -0.17 0.00 0.21 0.00 0.00 52.86 52.82 1ieh s ASN 52 Cb -0.10 -1.76 -0.07 0.00 -0.55 0.00 0.00 41.25 38.77 1ieh s ASN 52 CO -0.00 0.15 1.00 -2.16 -2.79 0.00 0.00 177.10 173.30 1ieh s PRO 53 N 0.49 3.81 1.45 0.43 0.04 -1.26 -3.16 135.00 136.79 1ieh s PRO 53 Ca -0.04 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1ieh s PRO 53 Cb -0.14 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1ieh s PRO 53 CO 0.03 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1ieh n GLY 54 N -1.19 1.50 0.25 0.56 0.00 -1.26 -4.34 105.19 100.72 1ieh n GLY 54 Ca 0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 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 0.54 0.00 1.61 5.19 -2.03 -3.46 116.42 118.27 1ieh h ASP 55 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1ieh h ASP 55 Cb 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1ieh h ASP 55 CO 0.00 0.36 0.00 0.61 -3.12 0.00 0.00 179.24 177.09 1ieh n GLY 56 N -1.28 0.87 3.55 2.75 0.00 -1.19 -5.08 105.19 104.80 1ieh n GLY 56 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.72 -3.83 1.61 7.64 -1.25 -4.71 113.62 112.35 1ieh n SER 57 Ca 0.00 0.43 -0.12 0.00 1.01 0.00 0.00 58.87 60.19 1ieh n SER 57 Cb 0.00 -1.34 -0.12 0.00 -1.01 0.00 0.00 64.21 61.74 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 -2.37 0.02 -0.03 0.44 -4.23 -1.26 -1.53 115.64 106.67 1ieh s THR 58 Ca 0.64 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 61.04 1ieh s THR 58 Cb -0.25 -0.26 -0.01 0.00 1.34 0.00 0.00 72.50 73.33 1ieh s THR 58 CO 0.61 -0.08 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.13 1ieh s TYR 59 N -0.23 1.55 0.37 3.99 2.02 -0.96 -5.02 117.35 119.07 1ieh s TYR 59 Ca -0.03 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1ieh s TYR 59 Cb -0.02 -1.04 -0.05 0.00 -0.40 0.00 0.00 41.96 40.44 1ieh s TYR 59 CO 0.00 -0.12 0.06 0.71 -1.57 0.00 0.00 175.55 174.64 1ieh s TYR 60 N -0.07 1.98 -1.31 2.71 1.51 -1.26 -0.49 117.35 120.42 1ieh s TYR 60 Ca -0.01 -1.00 0.00 0.00 -1.01 0.00 0.00 57.07 55.05 1ieh s TYR 60 Cb -0.10 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 1ieh s TYR 60 CO 0.01 0.01 0.51 0.00 -1.11 0.00 0.00 175.55 174.97 1ieh n ALA 61 N -0.81 2.20 0.00 3.71 0.00 -0.76 -4.85 120.51 120.00 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 0.66 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.08 0.00 -0.49 0.00 8.00 -1.26 -4.48 116.55 118.24 1ieh n ASP 62 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1ieh n ASP 62 Cb 0.13 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.30 1ieh n ASP 62 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ieh n SER 63 N 2.57 1.28 0.00 -2.24 7.64 -1.26 -3.32 113.62 118.29 1ieh n SER 63 Ca 0.00 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.80 1ieh n SER 63 Cb 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.01 0.00 -0.03 0.44 0.24 -1.26 -4.81 118.33 112.93 1ieh n VAL 64 Ca 0.05 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.26 1ieh n VAL 64 Cb 0.26 1.91 -0.02 0.00 -1.47 0.00 0.00 33.84 34.52 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 -0.21 -0.89 7.34 1.63 -1.86 -1.10 116.57 121.47 1ieh h LYS 65 Ca 0.00 0.01 -0.38 0.00 -0.85 0.00 0.00 60.65 59.44 1ieh h LYS 65 Cb 0.54 0.05 -0.22 0.00 -0.60 0.00 0.00 32.23 32.00 1ieh h LYS 65 CO 0.00 -0.14 0.48 0.41 -3.45 0.00 0.00 179.45 176.75 1ieh n GLY 66 N -1.34 4.05 0.63 5.01 0.00 -1.26 -4.40 105.19 107.89 1ieh n GLY 66 Ca -0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.66 0.24 -4.36 1.61 3.00 -0.48 -4.91 116.66 111.09 1ieh n ARG 67 Ca 0.50 0.10 -0.25 0.00 -0.00 0.00 0.00 57.85 58.20 1ieh n ARG 67 Cb 1.53 -0.91 -0.09 0.00 0.00 0.00 0.00 32.46 32.99 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 -2.34 2.53 -0.10 -0.14 0.08 -0.82 -2.36 117.98 114.84 1ieh s PHE 68 Ca -0.14 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.47 1ieh s PHE 68 Cb 0.03 -1.51 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1ieh s PHE 68 CO 0.19 0.47 -0.13 0.99 -0.10 0.00 0.00 175.22 176.64 1ieh s THR 69 N -2.54 1.34 -0.17 0.64 2.01 -0.48 -4.80 115.64 111.63 1ieh s THR 69 Ca 0.35 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 1ieh s THR 69 Cb 0.01 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1ieh s THR 69 CO 0.19 0.41 0.07 -0.51 -0.69 0.00 0.00 174.62 174.09 1ieh s ILE 70 N 1.00 4.89 0.21 1.82 2.07 -1.26 -0.43 121.20 129.50 1ieh s ILE 70 Ca -0.07 -0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.00 1ieh s ILE 70 Cb -0.15 -3.19 0.02 0.00 0.13 0.00 0.00 42.46 39.27 1ieh s ILE 70 CO -0.01 0.48 0.53 -0.94 -1.91 0.00 0.00 174.94 173.09 1ieh s SER 71 N 0.19 -0.22 0.06 4.50 1.04 0.36 -4.93 113.70 114.70 1ieh s SER 71 Ca 0.05 -0.58 -0.27 0.00 0.48 0.00 0.00 55.95 55.63 1ieh s SER 71 Cb -0.12 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.67 1ieh s SER 71 CO 0.00 -1.09 0.67 0.00 0.98 0.00 0.00 173.24 173.80 1ieh s ARG 72 N -3.91 1.13 -0.21 4.02 1.70 -1.26 -0.74 118.95 119.68 1ieh s ARG 72 Ca 0.12 -0.17 -0.10 0.00 -0.47 0.00 0.00 55.73 55.11 1ieh s ARG 72 Cb -0.01 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.84 1ieh s ARG 72 CO 0.00 -0.44 0.14 0.34 -1.08 0.00 0.00 175.30 174.25 1ieh s ASP 73 N -2.09 6.11 0.69 -2.89 2.15 -1.26 -5.02 116.67 114.36 1ieh s ASP 73 Ca -0.03 0.17 -0.17 0.00 0.43 0.00 0.00 52.55 52.95 1ieh s ASP 73 Cb -0.01 -2.08 0.01 0.00 -0.30 0.00 0.00 42.92 40.54 1ieh s ASP 73 CO -0.04 0.13 1.28 0.59 -0.17 0.00 0.00 175.17 176.96 1ieh n ASN 74 N 3.83 1.85 -1.40 -0.34 3.02 -1.26 -2.08 115.26 118.89 1ieh n ASN 74 Ca -0.16 0.77 -0.17 0.00 -0.03 0.00 0.00 54.58 55.00 1ieh n ASN 74 Cb 0.52 -1.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.07 1ieh n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ieh n ALA 75 N -2.24 -0.26 -3.70 5.41 0.00 -1.26 -4.93 120.51 113.53 1ieh n ALA 75 Ca 0.15 0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 1ieh n ALA 75 Cb 0.49 -1.84 -0.18 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.43 0.19 -1.33 0.00 2.20 -0.88 -5.06 119.74 111.43 1ieh s LYS 76 Ca 0.00 0.20 -0.16 0.00 -0.36 0.00 0.00 55.97 55.66 1ieh s LYS 76 Cb 0.00 -0.88 0.01 0.00 -1.51 0.00 0.00 37.83 35.45 1ieh s LYS 76 CO 0.00 -0.37 2.17 -1.71 -0.36 0.00 0.00 175.35 175.07 1ieh n ASN 77 N 5.24 3.65 -3.59 1.43 4.05 -1.26 -4.51 115.26 120.26 1ieh n ASN 77 Ca -0.05 -2.81 -0.04 0.00 0.45 0.00 0.00 54.58 52.12 1ieh n ASN 77 Cb 0.50 -1.57 -0.06 0.00 1.23 0.00 0.00 39.78 39.88 1ieh n ASN 77 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1ieh s THR 78 N 3.56 -0.83 0.20 -0.44 2.01 -1.26 -1.70 115.64 117.19 1ieh s THR 78 Ca 0.49 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 62.35 1ieh s THR 78 Cb 0.14 -0.85 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 1ieh s THR 78 CO -0.05 0.02 0.72 -0.76 -0.69 0.00 0.00 174.62 173.86 1ieh s LEU 79 N 2.75 4.39 -0.05 4.42 1.43 0.63 -3.99 118.68 128.27 1ieh s LEU 79 Ca -0.01 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.54 1ieh s LEU 79 Cb -0.12 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.62 1ieh s LEU 79 CO -0.16 0.08 -0.06 -0.31 0.23 0.00 0.00 176.35 176.12 1ieh s TYR 80 N -1.44 0.89 -0.03 0.29 1.51 0.08 -0.14 117.35 118.50 1ieh s TYR 80 Ca 0.41 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 56.25 1ieh s TYR 80 Cb -0.18 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1ieh s TYR 80 CO 0.22 -0.19 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.13 1ieh s LEU 81 N 0.77 1.93 -0.44 -1.29 0.20 -0.22 -0.48 118.68 119.15 1ieh s LEU 81 Ca -0.12 -0.32 -0.12 0.00 0.69 0.00 0.00 54.13 54.27 1ieh s LEU 81 Cb -0.14 -0.89 0.08 0.00 -0.43 0.00 0.00 46.19 44.81 1ieh s LEU 81 CO 0.01 0.16 0.32 -1.58 -0.29 0.00 0.00 176.35 174.97 1ieh s GLN 82 N -0.07 2.77 -0.66 1.98 2.00 0.43 -1.84 119.66 124.27 1ieh s GLN 82 Ca -0.01 -1.42 -0.26 0.00 -2.00 0.00 0.00 55.36 51.68 1ieh s GLN 82 Cb -0.10 -3.94 0.04 0.00 0.80 0.00 0.00 33.01 29.82 1ieh s GLN 82 CO 0.01 -0.99 1.13 -1.64 -0.50 0.00 0.00 175.29 173.30 1ieh s MET 83 N 1.52 3.26 0.29 1.67 -1.94 0.21 -1.38 119.30 122.92 1ieh s MET 83 Ca 0.03 -0.30 0.09 0.00 -1.71 0.00 0.00 55.69 53.80 1ieh s MET 83 Cb -0.24 -4.14 -0.04 0.00 2.01 0.00 0.00 34.83 32.42 1ieh s MET 83 CO 0.04 -1.86 0.08 0.54 -0.01 0.00 0.00 175.02 173.80 1ieh s ASN 84 N 3.42 4.75 -1.45 3.03 2.20 -1.00 -1.87 114.94 124.03 1ieh s ASN 84 Ca 0.32 -0.62 -0.09 0.00 -0.94 0.00 0.00 52.86 51.54 1ieh s ASN 84 Cb -0.11 -0.90 0.05 0.00 -2.00 0.00 0.00 41.25 38.30 1ieh s ASN 84 CO 0.16 -0.10 0.87 -1.20 -2.94 0.00 0.00 177.10 173.90 1ieh n SER 85 N -1.02 -3.45 -4.73 3.54 7.64 -1.26 -4.56 113.62 109.77 1ieh n SER 85 Ca -0.06 -0.80 -0.42 0.00 1.01 0.00 0.00 58.87 58.61 1ieh n SER 85 Cb 0.59 -3.91 -0.02 0.00 -1.01 0.00 0.00 64.21 59.86 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 -7.08 4.36 0.00 -3.43 1.02 -1.26 -4.96 118.68 107.33 1ieh s LEU 86 Ca 0.42 2.87 0.00 0.00 0.02 0.00 0.00 54.13 57.45 1ieh s LEU 86 Cb -0.21 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.38 1ieh s LEU 86 CO 0.83 -0.93 0.00 2.29 0.02 0.00 0.00 176.35 178.56 1ieh n LYS 87 N 3.17 1.03 0.20 1.70 2.85 -1.26 -3.34 118.16 122.50 1ieh n LYS 87 Ca 0.12 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.52 1ieh n LYS 87 Cb 0.37 0.00 0.71 0.00 -0.65 0.00 0.00 35.03 35.45 1ieh n LYS 87 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1ieh h SER 88 N 0.00 0.00 0.25 -5.58 0.87 -1.94 -1.70 113.55 105.45 1ieh h SER 88 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 1ieh h SER 88 Cb 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1ieh h SER 88 CO 0.00 0.00 -1.60 -0.08 -0.53 0.00 0.00 176.83 174.62 1ieh h GLU 89 N 0.00 0.46 -0.62 2.24 4.57 -1.97 -3.29 114.58 115.97 1ieh h GLU 89 Ca 0.00 -0.79 0.18 0.00 -1.18 0.00 0.00 59.36 57.57 1ieh h GLU 89 Cb 0.09 0.30 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1ieh h GLU 89 CO 0.00 1.37 0.51 0.22 -1.18 0.00 0.00 179.01 179.93 1ieh h ASP 90 N 0.13 0.00 -0.56 1.04 1.82 -1.68 -3.37 116.42 113.80 1ieh h ASP 90 Ca -0.29 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.21 1ieh h ASP 90 Cb 2.13 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 42.12 1ieh h ASP 90 CO 0.23 0.00 0.36 -0.89 -1.61 0.00 0.00 179.24 177.33 1ieh s THR 91 N -4.85 3.18 0.14 2.25 2.01 -1.23 -4.60 115.64 112.53 1ieh s THR 91 Ca -0.05 -0.14 -0.22 0.00 0.31 0.00 0.00 61.69 61.60 1ieh s THR 91 Cb 0.19 -3.41 0.08 0.00 0.01 0.00 0.00 72.50 69.37 1ieh s THR 91 CO 0.68 -0.38 1.04 0.00 -0.69 0.00 0.00 174.62 175.27 1ieh n ALA 92 N 16.74 -2.77 -2.76 7.40 0.00 0.27 -4.53 120.51 134.85 1ieh n ALA 92 Ca 0.43 -0.94 -0.34 0.00 0.00 0.00 0.00 53.44 52.59 1ieh n ALA 92 Cb 0.45 0.47 -0.05 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.07 5.29 0.09 0.00 1.01 -0.95 -1.72 120.40 122.05 1ieh s VAL 93 Ca 0.23 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.41 1ieh s VAL 93 Cb -0.02 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1ieh s VAL 93 CO 0.04 0.30 -0.25 -0.31 0.00 0.00 0.00 175.10 174.88 1ieh s TYR 94 N -1.37 2.14 0.22 5.22 1.51 -0.72 -0.25 117.35 124.10 1ieh s TYR 94 Ca 0.30 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 1ieh s TYR 94 Cb -0.13 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.46 1ieh s TYR 94 CO 0.18 0.22 0.05 0.71 -1.11 0.00 0.00 175.55 175.61 1ieh s TYR 95 N -0.98 1.38 0.00 2.71 1.51 -0.64 -1.75 117.35 119.59 1ieh s TYR 95 Ca 0.11 -1.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.07 1ieh s TYR 95 Cb -0.10 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1ieh s TYR 95 CO 0.04 -0.28 -0.04 0.00 -1.11 0.00 0.00 175.55 174.16 1ieh s ALA 97 N -0.28 -1.64 0.35 0.00 0.00 -0.98 -1.63 121.76 117.57 1ieh s ALA 97 Ca -0.01 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.19 1ieh s ALA 97 Cb -0.03 0.63 -0.08 0.00 0.00 0.00 0.00 23.12 23.64 1ieh s ALA 97 CO -0.00 -0.91 0.75 0.21 0.00 0.00 0.00 175.76 175.81 1ieh s LYS 98 N -3.37 3.95 -0.39 0.00 2.20 -1.26 -1.58 119.74 119.29 1ieh s LYS 98 Ca 0.09 0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 56.07 1ieh s LYS 98 Cb -0.02 -2.41 0.02 0.00 -1.51 0.00 0.00 37.83 33.91 1ieh s LYS 98 CO -0.02 0.10 0.92 -0.47 -0.36 0.00 0.00 175.35 175.52 1ieh s TYR 99 N -2.10 3.04 -1.87 4.03 5.04 0.10 -4.50 117.35 121.10 1ieh s TYR 99 Ca 0.54 0.67 0.09 0.00 -2.44 0.00 0.00 57.07 55.93 1ieh s TYR 99 Cb -0.10 -3.73 0.28 0.00 0.35 0.00 0.00 41.96 38.76 1ieh s TYR 99 CO 0.21 -0.89 1.20 0.43 -1.34 0.00 0.00 175.55 175.16 1ieh n SER 100 N 6.87 1.76 0.00 4.32 7.64 -1.26 -4.79 113.62 128.16 1ieh n SER 100 Ca 0.07 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1ieh n SER 100 Cb 0.48 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1ieh n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ieh n GLY 101 N 0.92 2.85 2.92 0.23 0.00 -1.26 -5.03 105.19 105.81 1ieh n GLY 101 Ca 0.10 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 1ieh n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ieh s GLY 102 N 0.00 0.90 0.43 -0.02 0.00 -1.26 -5.07 107.32 102.31 1ieh s GLY 102 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1ieh s GLY 102 CO 0.00 0.80 0.00 0.00 0.00 0.00 0.00 173.10 173.90 1ieh n ALA 103 N 4.90 -2.58 -2.89 3.20 0.00 -1.26 -4.95 120.51 116.93 1ieh n ALA 103 Ca -0.13 0.64 -0.25 0.00 0.00 0.00 0.00 53.44 53.71 1ieh n ALA 103 Cb 0.49 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1ieh n ALA 103 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ieh s LEU 104 N -6.20 4.28 -0.17 0.00 2.96 -1.26 -4.33 118.68 113.97 1ieh s LEU 104 Ca 0.00 0.22 0.16 0.00 -0.22 0.00 0.00 54.13 54.28 1ieh s LEU 104 Cb 0.00 -2.99 -0.24 0.00 0.50 0.00 0.00 46.19 43.46 1ieh s LEU 104 CO 0.00 -0.03 0.17 -0.67 -1.32 0.00 0.00 176.35 174.51 1ieh n ASP 105 N -0.89 0.33 -2.10 3.68 -0.08 -1.26 -4.97 116.55 111.25 1ieh n ASP 105 Ca -0.07 0.08 -0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ieh n ASP 105 Cb 0.55 0.67 -0.00 0.00 2.34 0.00 0.00 41.12 44.68 1ieh n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ieh n ALA 106 N -2.75 -2.36 0.00 -1.67 0.00 -1.26 -5.01 120.51 107.46 1ieh n ALA 106 Ca -0.31 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ieh n ALA 106 Cb 1.13 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 1.45 0.00 -2.66 0.00 8.01 -0.72 -4.94 117.44 118.58 1ieh n TRP 107 Ca -0.04 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.81 1ieh n TRP 107 Cb 0.05 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.30 1ieh n TRP 107 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ieh s GLY 108 N -0.74 2.56 0.16 6.99 0.00 -0.65 -3.98 107.32 111.66 1ieh s GLY 108 Ca 0.00 0.55 -0.34 0.00 0.00 0.00 0.00 44.72 44.93 1ieh s GLY 108 CO 0.00 0.90 1.39 -1.06 0.00 0.00 0.00 173.10 174.33 1ieh n GLN 109 N -0.47 1.65 -2.10 2.90 1.13 -1.25 -4.40 117.38 114.84 1ieh n GLN 109 Ca 0.07 0.59 -0.37 0.00 -1.94 0.00 0.00 57.00 55.35 1ieh n GLN 109 Cb 0.52 -2.25 -0.03 0.00 0.11 0.00 0.00 30.24 28.59 1ieh n GLN 109 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ieh s GLY 110 N 0.47 0.28 0.25 1.08 0.00 -1.26 -3.14 107.32 105.00 1ieh s GLY 110 Ca 0.77 -0.87 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 1ieh s GLY 110 CO 0.46 3.34 1.20 -1.08 0.00 0.00 0.00 173.10 177.01 1ieh s THR 111 N 8.79 3.33 -0.58 0.90 -1.32 -0.71 -4.78 115.64 121.27 1ieh s THR 111 Ca 0.64 1.23 -0.21 0.00 -1.21 0.00 0.00 61.69 62.13 1ieh s THR 111 Cb -0.11 -3.78 0.07 0.00 -1.51 0.00 0.00 72.50 67.16 1ieh s THR 111 CO 0.17 0.25 0.81 -1.58 -2.21 0.00 0.00 174.62 172.06 1ieh s GLN 112 N -0.96 3.15 -0.17 7.08 2.00 -1.26 -1.75 119.66 127.75 1ieh s GLN 112 Ca 0.49 -0.80 -0.05 0.00 -2.00 0.00 0.00 55.36 53.00 1ieh s GLN 112 Cb -0.34 -4.15 -0.03 0.00 0.80 0.00 0.00 33.01 29.28 1ieh s GLN 112 CO 0.42 -1.51 0.00 0.08 -0.50 0.00 0.00 175.29 173.78 1ieh s VAL 113 N 3.37 4.21 0.16 1.34 1.01 -0.70 -4.02 120.40 125.77 1ieh s VAL 113 Ca 0.20 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1ieh s VAL 113 Cb -0.18 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1ieh s VAL 113 CO 0.12 0.47 -0.04 -0.89 0.00 0.00 0.00 175.10 174.76 1ieh s THR 114 N 0.46 0.86 -0.22 3.92 2.01 -1.02 -0.57 115.64 121.08 1ieh s THR 114 Ca -0.01 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.98 1ieh s THR 114 Cb -0.14 -1.97 0.07 0.00 0.01 0.00 0.00 72.50 70.47 1ieh s THR 114 CO 0.02 -0.62 0.02 -0.69 -0.69 0.00 0.00 174.62 172.65 1ieh s VAL 115 N -3.53 0.89 0.08 3.82 1.01 -1.26 -2.31 120.40 119.10 1ieh s VAL 115 Ca 0.20 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1ieh s VAL 115 Cb 0.05 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1ieh s VAL 115 CO 0.02 -0.24 -0.16 -0.55 0.00 0.00 0.00 175.10 174.16 1ieh s SER 116 N 1.68 1.97 -0.35 3.32 0.15 0.40 -4.84 113.70 116.02 1ieh s SER 116 Ca -0.01 -0.64 -0.29 0.00 0.70 0.00 0.00 55.95 55.71 1ieh s SER 116 Cb -0.18 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1ieh s SER 116 CO -0.09 -0.03 1.24 -0.55 1.20 0.00 0.00 173.24 175.00 1ieh s SER 117 N -1.79 6.67 -0.06 5.45 0.15 -1.26 -3.81 113.70 119.05 1ieh s SER 117 Ca 0.01 0.97 0.12 0.00 0.70 0.00 0.00 55.95 57.75 1ieh s SER 117 Cb -0.10 -2.54 0.46 0.00 -1.71 0.00 0.00 66.02 62.13 1ieh s SER 117 CO 0.03 -1.12 1.32 0.00 1.20 0.00 0.00 173.24 174.67 1ieh n GLN 118 N 7.43 2.69 -2.51 5.44 1.13 -1.26 -4.93 117.38 125.37 1ieh n GLN 118 Ca 0.14 -1.83 -0.39 0.00 -1.94 0.00 0.00 57.00 52.98 1ieh n GLN 118 Cb 0.47 -1.63 -0.04 0.00 0.11 0.00 0.00 30.24 29.15 1ieh n GLN 118 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1ieh s SER 119 N -0.78 7.15 0.48 1.08 1.04 -1.26 -4.93 113.70 116.47 1ieh s SER 119 Ca 0.33 2.19 0.27 0.00 0.48 0.00 0.00 55.95 59.22 1ieh s SER 119 Cb 0.21 -2.62 1.11 0.00 0.10 0.00 0.00 66.02 64.82 1ieh s SER 119 CO 0.17 -0.22 1.90 -0.08 0.98 0.00 0.00 173.24 175.99 1ieh h GLU 120 N 3.49 0.00 -6.07 4.02 4.81 -2.05 -3.41 114.58 115.36 1ieh h GLU 120 Ca -0.47 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.24 1ieh h GLU 120 Cb 1.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1ieh h GLU 120 CO 0.66 0.16 1.32 -1.14 -0.73 0.00 0.00 179.01 179.28 1ieh s GLN 121 N -3.74 2.83 0.00 1.92 0.74 -1.26 -4.81 119.66 115.35 1ieh s GLN 121 Ca 0.00 0.81 0.00 0.00 0.05 0.00 0.00 55.36 56.22 1ieh s GLN 121 Cb 0.10 -4.33 0.00 0.00 1.10 0.00 0.00 33.01 29.89 1ieh s GLN 121 CO 0.61 -2.48 0.00 1.63 -0.55 0.00 0.00 175.29 174.50 1ieh n LYS 122 N 8.96 0.00 -2.77 1.67 5.02 -1.26 -5.09 118.16 124.68 1ieh n LYS 122 Ca 0.21 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.49 1ieh n LYS 122 Cb 0.51 -0.31 -0.01 0.00 -0.02 0.00 0.00 35.03 35.21 1ieh n LYS 122 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ieh n LEU 123 N -2.25 -7.21 -4.19 -0.35 7.94 -1.26 -5.04 117.00 104.65 1ieh n LEU 123 Ca 0.00 1.42 -0.27 0.00 -1.11 0.00 0.00 56.01 56.05 1ieh n LEU 123 Cb 0.00 -3.10 -0.16 0.00 0.53 0.00 0.00 43.42 40.69 1ieh n LEU 123 CO 0.00 -3.12 -0.52 -0.51 -1.11 0.00 0.00 177.39 172.13 1ieh s ILE 124 N -1.41 1.56 -0.39 1.96 2.07 -1.26 -5.07 121.20 118.65 1ieh s ILE 124 Ca -0.04 -0.82 0.08 0.00 -1.41 0.00 0.00 60.65 58.46 1ieh s ILE 124 Cb 0.00 -1.31 0.25 0.00 0.13 0.00 0.00 42.46 41.53 1ieh s ILE 124 CO 0.68 0.44 0.53 -0.24 -1.91 0.00 0.00 174.94 174.44 1ieh n SER 125 N 2.82 0.03 0.00 4.50 2.88 -1.26 -4.84 113.62 117.74 1ieh n SER 125 Ca -0.16 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 1ieh n SER 125 Cb 0.53 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1ieh n SER 125 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ieh n GLU 126 N 1.48 0.00 -2.68 -1.46 1.02 -1.26 -5.10 120.64 112.63 1ieh n GLU 126 Ca 0.21 -0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 57.20 1ieh n GLU 126 Cb 0.53 -0.31 -0.03 0.00 -0.02 0.00 0.00 31.44 31.60 1ieh n GLU 126 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ieh n GLU 127 N 0.00 -4.04 -3.61 3.49 0.00 -1.26 -4.95 120.64 110.27 1ieh n GLU 127 Ca 0.00 3.11 -0.39 0.00 0.00 0.00 0.00 57.16 59.87 1ieh n GLU 127 Cb 0.33 -4.71 -0.07 0.00 0.00 0.00 0.00 31.44 27.00 1ieh n GLU 127 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ieh s ASP 128 N -0.82 5.67 0.00 4.31 -1.08 -1.26 -4.94 116.67 118.55 1ieh s ASP 128 Ca -0.20 -2.87 0.00 0.00 -0.52 0.00 0.00 52.55 48.96 1ieh s ASP 128 Cb 0.01 -1.95 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 1ieh s ASP 128 CO 0.71 -0.41 0.00 0.18 0.52 0.00 0.00 175.17 176.17 1ieh n LEU 129 N 3.54 0.00 -3.00 -1.34 4.77 -1.26 -4.78 117.00 114.93 1ieh n LEU 129 Ca 0.10 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1ieh n LEU 129 Cb 0.40 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1ieh n LEU 129 CO 0.34 0.00 0.30 -3.20 -1.33 0.00 0.00 177.39 173.49 1ieh n ASN 130 N 1.99 -7.38 -3.42 -1.43 2.85 -1.26 -5.03 115.26 101.58 1ieh n ASN 130 Ca 0.00 -0.14 -0.23 0.00 -0.11 0.00 0.00 54.58 54.11 1ieh n ASN 130 Cb 0.00 -5.08 -0.10 0.00 1.24 0.00 0.00 39.78 35.84 1ieh n ASN 130 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1ieh s HIS 131 N -3.04 0.13 -0.23 1.20 2.46 -1.26 -5.00 115.29 109.55 1ieh s HIS 131 Ca 0.05 -1.07 -0.18 0.00 0.47 0.00 0.00 55.06 54.32 1ieh s HIS 131 Cb -0.01 -0.65 -0.17 0.00 -0.13 0.00 0.00 32.58 31.63 1ieh s HIS 131 CO 0.71 -0.90 0.00 0.72 -2.47 0.00 0.00 174.74 172.80 1ieh n HIS 132 N 4.36 0.64 -1.23 3.88 8.25 -1.26 -4.98 115.22 124.88 1ieh n HIS 132 Ca 0.09 0.27 -0.30 0.00 -0.26 0.00 0.00 57.72 57.51 1ieh n HIS 132 Cb 0.42 -1.06 0.24 0.00 1.12 0.00 0.00 29.99 30.71 1ieh n HIS 132 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1ieh s HIS 133 N -2.42 0.35 0.00 4.41 -3.43 -1.26 -5.08 115.29 107.86 1ieh s HIS 133 Ca -0.32 0.36 0.00 0.00 -0.80 0.00 0.00 55.06 54.29 1ieh s HIS 133 Cb 0.09 -3.63 0.00 0.00 -1.43 0.00 0.00 32.58 27.61 1ieh s HIS 133 CO 0.56 -3.86 0.00 0.72 -2.00 0.00 0.00 174.74 170.16 1ieh n HIS 134 N -4.69 -3.31 1.96 0.38 8.25 -1.26 -5.23 115.22 111.31 1ieh n HIS 134 Ca 0.15 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.77 1ieh n HIS 134 Cb 0.60 0.00 0.91 0.00 1.12 0.00 0.00 29.99 32.62 1ieh n HIS 134 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70