#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 4.90 0.04 2.53 -7.23 -1.26 -5.07 120.40 114.30 1ieh s VAL 2 Ca 0.00 1.44 0.07 0.00 -1.81 0.00 0.00 61.98 61.69 1ieh s VAL 2 Cb 0.00 -4.03 -0.02 0.00 0.56 0.00 0.00 36.38 32.88 1ieh s VAL 2 CO 0.00 0.34 -0.21 -1.58 -0.31 0.00 0.00 175.10 173.34 1ieh s GLN 3 N 0.21 1.47 0.40 4.82 -0.44 -1.26 -5.02 119.66 119.83 1ieh s GLN 3 Ca 0.36 -0.94 0.04 0.00 -2.50 0.00 0.00 55.36 52.31 1ieh s GLN 3 Cb -0.19 -1.57 -0.03 0.00 -1.64 0.00 0.00 33.01 29.58 1ieh s GLN 3 CO 0.19 0.41 0.12 -0.51 0.50 0.00 0.00 175.29 176.00 1ieh s LEU 4 N -1.12 2.01 -0.10 3.68 1.43 -1.26 -3.98 118.68 119.34 1ieh s LEU 4 Ca 0.08 -1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 51.50 1ieh s LEU 4 Cb -0.09 -0.14 0.05 0.00 0.03 0.00 0.00 46.19 46.05 1ieh s LEU 4 CO 0.02 -0.90 0.21 0.00 0.23 0.00 0.00 176.35 175.90 1ieh s GLN 5 N -3.73 0.10 -0.02 1.70 0.00 -1.19 -2.52 119.66 114.00 1ieh s GLN 5 Ca 0.25 0.62 -0.03 0.00 -0.00 0.00 0.00 55.36 56.20 1ieh s GLN 5 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 33.01 32.85 1ieh s GLN 5 CO 0.14 -0.27 0.18 0.00 0.00 0.00 0.00 175.29 175.34 1ieh s ALA 6 N 2.16 3.95 0.17 2.60 0.00 -1.26 -0.08 121.76 129.30 1ieh s ALA 6 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 1ieh s ALA 6 Cb -0.12 -1.89 0.08 0.00 0.00 0.00 0.00 23.12 21.19 1ieh s ALA 6 CO -0.07 0.74 1.06 0.45 0.00 0.00 0.00 175.76 177.94 1ieh s SER 7 N -1.88 0.01 0.00 0.00 0.15 -0.31 -3.64 113.70 108.03 1ieh s SER 7 Ca 0.27 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1ieh s SER 7 Cb -0.13 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1ieh s SER 7 CO 0.18 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1ieh n GLY 8 N -0.73 2.91 3.35 9.45 0.00 -1.26 -1.88 105.19 117.03 1ieh n GLY 8 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.49 -2.33 1.48 -0.02 0.00 -1.26 -4.78 105.19 96.79 1ieh n GLY 9 Ca 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 1.79 0.94 3.69 -0.02 0.00 -1.19 -4.85 105.19 105.56 1ieh n GLY 10 Ca 0.05 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 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 4.18 0.00 0.99 1.43 -1.24 -2.13 118.68 121.91 1ieh s LEU 11 Ca 0.09 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1ieh s LEU 11 Cb -0.01 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.96 1ieh s LEU 11 CO 0.02 0.06 0.15 1.33 0.23 0.00 0.00 176.35 178.14 1ieh n VAL 12 N 3.96 0.00 -3.96 -1.59 0.24 -0.73 -4.78 118.33 111.47 1ieh n VAL 12 Ca -0.13 -1.08 -0.35 0.00 -2.04 0.00 0.00 64.34 60.74 1ieh n VAL 12 Cb 0.52 -0.14 -0.12 0.00 -1.47 0.00 0.00 33.84 32.62 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 -3.04 3.63 -0.71 7.34 -0.21 -1.26 0.36 119.66 125.78 1ieh s GLN 13 Ca 0.11 -0.50 -0.13 0.00 0.02 0.00 0.00 55.36 54.86 1ieh s GLN 13 Cb -0.01 -3.16 -0.21 0.00 1.00 0.00 0.00 33.01 30.64 1ieh s GLN 13 CO 0.07 -0.05 1.67 -2.30 -2.12 0.00 0.00 175.29 172.57 1ieh n PRO 14 N 4.44 0.00 0.00 2.91 -0.02 -1.26 0.12 135.00 141.19 1ieh n PRO 14 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1ieh n PRO 14 Cb 0.52 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 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 4.17 1.48 0.00 -1.23 0.00 -0.04 -4.98 105.19 104.59 1ieh n GLY 15 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.72 0.98 3.42 -0.02 0.00 0.33 -4.84 105.19 104.34 1ieh n GLY 16 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.54 -0.20 1.61 1.04 -1.26 -3.28 113.70 110.06 1ieh s SER 17 Ca 0.00 0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 1ieh s SER 17 Cb 0.00 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.77 1ieh s SER 17 CO 0.00 -0.90 0.46 -0.22 0.98 0.00 0.00 173.24 173.57 1ieh s LEU 18 N -2.50 -0.50 -0.24 2.42 0.20 -0.66 -4.89 118.68 112.50 1ieh s LEU 18 Ca -0.01 1.06 -0.08 0.00 0.69 0.00 0.00 54.13 55.79 1ieh s LEU 18 Cb -0.01 1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 47.26 1ieh s LEU 18 CO -0.09 -0.22 0.09 -0.60 -0.29 0.00 0.00 176.35 175.24 1ieh s ARG 19 N 2.06 3.75 0.30 1.98 3.52 -1.26 -0.74 118.95 128.57 1ieh s ARG 19 Ca -0.06 -0.43 0.10 0.00 -0.13 0.00 0.00 55.73 55.21 1ieh s ARG 19 Cb -0.10 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1ieh s ARG 19 CO -0.14 -0.12 -0.05 0.14 -0.81 0.00 0.00 175.30 174.32 1ieh s VAL 20 N 1.45 2.80 0.08 7.11 -7.23 -0.92 -4.79 120.40 118.91 1ieh s VAL 20 Ca 0.06 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1ieh s VAL 20 Cb -0.15 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1ieh s VAL 20 CO 0.05 -0.30 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.57 1ieh s SER 21 N -3.65 0.73 -0.16 4.85 1.04 -0.79 -2.44 113.70 113.28 1ieh s SER 21 Ca 0.33 -1.04 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 1ieh s SER 21 Cb -0.03 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.31 1ieh s SER 21 CO 0.18 -0.57 0.01 0.00 0.98 0.00 0.00 173.24 173.84 1ieh s ALA 23 N 1.84 3.00 0.65 0.00 0.00 0.89 -1.72 121.76 126.42 1ieh s ALA 23 Ca 0.01 -2.35 0.01 0.00 0.00 0.00 0.00 51.96 49.63 1ieh s ALA 23 Cb -0.15 -4.27 0.09 0.00 0.00 0.00 0.00 23.12 18.79 1ieh s ALA 23 CO -0.07 -3.28 0.90 0.00 0.00 0.00 0.00 175.76 173.31 1ieh s ALA 24 N 4.09 3.88 0.00 0.00 0.00 0.37 -3.16 121.76 126.94 1ieh s ALA 24 Ca 0.38 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1ieh s ALA 24 Cb -0.04 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1ieh s ALA 24 CO -0.06 -1.18 0.00 0.43 0.00 0.00 0.00 175.76 174.95 1ieh n SER 25 N -2.62 0.00 0.00 0.00 7.64 -1.26 -4.64 113.62 112.75 1ieh n SER 25 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1ieh n SER 25 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1ieh n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ieh n GLY 26 N 0.00 -0.91 0.00 0.23 0.00 -1.26 -4.59 105.19 98.66 1ieh n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.35 1.61 -1.74 -1.26 -4.88 117.46 109.83 1ieh n PHE 27 Ca 0.00 0.00 0.16 0.00 -0.56 0.00 0.00 57.45 57.05 1ieh n PHE 27 Cb 0.00 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 40.91 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 -0.23 -0.80 -2.27 1.97 -1.04 -1.26 -4.83 114.28 105.83 1ieh n THR 28 Ca 0.00 0.86 0.00 0.00 -2.04 0.00 0.00 64.05 62.87 1ieh n THR 28 Cb 0.00 -1.31 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 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 -4.20 -0.01 -0.18 -1.42 3.72 -1.26 -4.22 117.46 109.88 1ieh n PHE 29 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1ieh n PHE 29 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1ieh n PHE 29 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ieh n SER 30 N -0.01 0.00 0.00 4.37 2.88 -1.26 -4.27 113.62 115.32 1ieh n SER 30 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ieh n SER 30 Cb 0.00 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 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 0.00 1.49 -4.87 -3.46 7.64 -1.26 -3.09 113.62 110.07 1ieh n SER 31 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1ieh n SER 31 Cb 0.00 0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.14 2.55 -0.17 1.43 2.02 -1.26 -4.88 117.35 115.89 1ieh s TYR 32 Ca 0.00 -0.54 -0.09 0.00 -0.37 0.00 0.00 57.07 56.07 1ieh s TYR 32 Cb 0.00 -2.13 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 1ieh s TYR 32 CO 0.00 -0.16 0.12 -1.01 -1.57 0.00 0.00 175.55 172.92 1ieh s HIS 33 N -2.52 3.42 0.32 2.71 3.76 -1.26 -4.05 115.29 117.67 1ieh s HIS 33 Ca 0.46 0.33 0.05 0.00 -0.15 0.00 0.00 55.06 55.75 1ieh s HIS 33 Cb -0.03 -2.08 -0.06 0.00 1.11 0.00 0.00 32.58 31.52 1ieh s HIS 33 CO 0.27 0.38 0.03 -1.64 -0.85 0.00 0.00 174.74 172.93 1ieh s MET 34 N -0.01 1.65 -0.11 1.40 -1.94 -1.24 -0.01 119.30 119.05 1ieh s MET 34 Ca 0.09 -1.90 -0.30 0.00 -1.71 0.00 0.00 55.69 51.87 1ieh s MET 34 Cb -0.11 -0.99 0.09 0.00 2.01 0.00 0.00 34.83 35.83 1ieh s MET 34 CO -0.00 -0.13 0.81 0.00 -0.01 0.00 0.00 175.02 175.69 1ieh s ALA 35 N -3.19 -1.84 -0.39 3.03 0.00 -0.33 -2.00 121.76 117.05 1ieh s ALA 35 Ca 0.35 1.46 -0.11 0.00 0.00 0.00 0.00 51.96 53.65 1ieh s ALA 35 Cb 0.08 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.88 1ieh s ALA 35 CO 0.15 -0.34 0.23 -1.58 0.00 0.00 0.00 175.76 174.21 1ieh s TRP 36 N -1.07 3.25 0.34 0.00 0.52 0.30 -2.11 118.94 120.17 1ieh s TRP 36 Ca -0.07 -1.00 0.07 0.00 0.02 0.00 0.00 56.10 55.12 1ieh s TRP 36 Cb -0.00 -2.53 -0.02 0.00 -1.15 0.00 0.00 33.47 29.76 1ieh s TRP 36 CO 0.06 -0.68 0.39 0.14 0.02 0.00 0.00 176.95 176.88 1ieh s VAL 37 N 1.55 3.76 -0.00 4.03 -7.23 -0.03 -2.46 120.40 120.02 1ieh s VAL 37 Ca 0.02 -1.17 -0.05 0.00 -1.81 0.00 0.00 61.98 58.97 1ieh s VAL 37 Cb -0.20 -3.29 -0.00 0.00 0.56 0.00 0.00 36.38 33.45 1ieh s VAL 37 CO 0.06 -0.16 0.10 -0.60 -0.31 0.00 0.00 175.10 174.19 1ieh s ARG 38 N -4.10 0.38 -0.15 4.82 3.52 -0.11 -1.57 118.95 121.75 1ieh s ARG 38 Ca 0.43 -0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 55.66 1ieh s ARG 38 Cb -0.08 0.16 0.05 0.00 -1.56 0.00 0.00 34.95 33.52 1ieh s ARG 38 CO 0.29 -0.08 0.04 -1.14 -0.81 0.00 0.00 175.30 173.59 1ieh s GLN 39 N -1.14 0.51 0.45 5.12 0.74 0.64 -0.02 119.66 125.96 1ieh s GLN 39 Ca -0.12 -0.17 -0.20 0.00 0.05 0.00 0.00 55.36 54.91 1ieh s GLN 39 Cb -0.07 -1.67 -0.10 0.00 1.10 0.00 0.00 33.01 32.27 1ieh s GLN 39 CO 0.01 -0.54 0.98 0.00 -0.55 0.00 0.00 175.29 175.19 1ieh s ALA 40 N 1.95 2.99 -0.75 1.58 0.00 -1.26 -1.92 121.76 124.36 1ieh s ALA 40 Ca 0.02 0.44 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 1ieh s ALA 40 Cb -0.15 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 19.64 1ieh s ALA 40 CO -0.07 -0.03 2.52 -2.30 0.00 0.00 0.00 175.76 175.88 1ieh n PRO 41 N -0.81 0.52 -1.04 0.00 -0.02 -1.26 -1.37 135.00 131.02 1ieh n PRO 41 Ca 0.08 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1ieh n PRO 41 Cb 0.54 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1ieh n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ieh n GLY 42 N 6.24 0.55 0.00 -1.23 0.00 -1.26 -5.11 105.19 104.38 1ieh n GLY 42 Ca 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1ieh n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ieh n LYS 43 N -0.46 1.33 -0.37 1.61 4.81 -0.47 -5.07 118.16 119.53 1ieh n LYS 43 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1ieh n LYS 43 Cb 0.25 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.44 1ieh n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ieh n GLY 44 N 1.88 4.21 1.18 3.14 0.00 -1.26 -4.94 105.19 109.40 1ieh n GLY 44 Ca 0.00 -1.04 0.15 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.05 -0.77 -3.66 0.99 0.00 -1.26 -5.01 117.00 106.24 1ieh n LEU 45 Ca 0.14 1.77 -0.07 0.00 0.00 0.00 0.00 56.01 57.85 1ieh n LEU 45 Cb 0.70 -3.35 -0.08 0.00 0.00 0.00 0.00 43.42 40.68 1ieh n LEU 45 CO -0.01 -2.21 0.17 -0.70 0.00 0.00 0.00 177.39 174.64 1ieh s GLU 46 N -3.41 0.51 0.58 1.96 2.56 0.98 -4.94 118.70 116.93 1ieh s GLU 46 Ca 0.00 1.09 0.29 0.00 0.00 0.00 0.00 54.97 56.35 1ieh s GLU 46 Cb 0.00 0.26 1.49 0.00 2.00 0.00 0.00 34.13 37.88 1ieh s GLU 46 CO 0.00 -0.18 1.93 2.35 -0.56 0.00 0.00 175.26 178.80 1ieh h TRP 47 N 7.46 0.00 0.00 5.30 7.01 -1.86 -0.25 115.95 133.61 1ieh h TRP 47 Ca -0.27 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.73 1ieh h TRP 47 Cb 1.17 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 1ieh h TRP 47 CO 0.18 0.00 0.00 0.28 -2.79 0.00 0.00 178.44 176.11 1ieh n VAL 48 N -3.84 0.00 -4.15 2.65 0.31 -1.25 -3.36 118.33 108.69 1ieh n VAL 48 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.25 1ieh n VAL 48 Cb 0.64 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.45 1ieh n VAL 48 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ieh s SER 49 N -3.19 1.26 0.03 4.52 1.04 -1.03 -0.55 113.70 115.78 1ieh s SER 49 Ca 0.00 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1ieh s SER 49 Cb 0.00 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1ieh s SER 49 CO 0.00 -0.10 -0.09 -0.89 0.98 0.00 0.00 173.24 173.13 1ieh s THR 50 N -1.18 0.70 0.00 2.02 2.01 -0.11 -0.54 115.64 118.54 1ieh s THR 50 Ca -0.05 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 61.23 1ieh s THR 50 Cb -0.09 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1ieh s THR 50 CO 0.01 -0.10 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.09 1ieh s ILE 51 N -0.83 1.90 0.16 1.82 2.07 -0.85 -2.30 121.20 123.17 1ieh s ILE 51 Ca -0.03 -1.11 -0.17 0.00 -1.41 0.00 0.00 60.65 57.93 1ieh s ILE 51 Cb -0.07 -1.60 -0.07 0.00 0.13 0.00 0.00 42.46 40.85 1ieh s ILE 51 CO 0.00 0.46 0.61 0.21 -1.91 0.00 0.00 174.94 174.32 1ieh s ASN 52 N -0.77 6.96 0.19 4.50 3.84 -0.34 -3.59 114.94 125.73 1ieh s ASN 52 Ca 0.09 1.23 -0.32 0.00 0.21 0.00 0.00 52.86 54.08 1ieh s ASN 52 Cb -0.09 -2.35 -0.16 0.00 -0.55 0.00 0.00 41.25 38.10 1ieh s ASN 52 CO 0.00 0.12 1.04 -2.65 -2.79 0.00 0.00 177.10 172.82 1ieh n PRO 53 N 0.97 0.98 -0.41 0.43 -0.02 -1.26 -1.70 135.00 133.99 1ieh n PRO 53 Ca -0.05 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1ieh n PRO 53 Cb 0.51 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.82 0.74 2.87 -1.23 0.00 -1.18 -4.57 105.19 103.64 1ieh n GLY 54 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -7.76 0.00 1.61 9.92 -0.69 -5.00 116.55 114.63 1ieh n ASP 55 Ca 0.00 0.79 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 1ieh n ASP 55 Cb 0.00 -4.95 0.00 0.00 -0.64 0.00 0.00 41.12 35.53 1ieh n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ieh n GLY 56 N 0.12 -0.77 3.73 0.44 0.00 -1.22 -5.04 105.19 102.45 1ieh n GLY 56 Ca 0.06 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 3.04 -3.92 1.61 7.64 -1.26 -4.80 113.62 115.93 1ieh n SER 57 Ca 0.00 1.18 -0.13 0.00 1.01 0.00 0.00 58.87 60.93 1ieh n SER 57 Cb 0.00 -1.54 -0.14 0.00 -1.01 0.00 0.00 64.21 61.53 1ieh n SER 57 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ieh s THR 58 N -1.13 0.18 -0.03 0.44 2.01 -1.26 -1.20 115.64 114.64 1ieh s THR 58 Ca 0.57 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1ieh s THR 58 Cb -0.52 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1ieh s THR 58 CO 0.61 -0.01 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.17 1ieh s TYR 59 N -0.20 0.70 0.37 4.92 2.02 -0.97 -5.02 117.35 119.17 1ieh s TYR 59 Ca -0.01 -0.17 0.08 0.00 -0.37 0.00 0.00 57.07 56.61 1ieh s TYR 59 Cb -0.02 -0.56 -0.07 0.00 -0.40 0.00 0.00 41.96 40.91 1ieh s TYR 59 CO -0.00 -0.12 -0.05 0.71 -1.57 0.00 0.00 175.55 174.52 1ieh s TYR 60 N 0.50 2.43 -1.74 2.71 1.51 -1.26 -0.93 117.35 120.57 1ieh s TYR 60 Ca -0.07 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1ieh s TYR 60 Cb -0.10 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1ieh s TYR 60 CO 0.00 0.52 0.55 0.00 -1.11 0.00 0.00 175.55 175.51 1ieh n ALA 61 N -0.86 2.08 0.00 3.71 0.00 0.29 -4.80 120.51 120.94 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 0.65 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.32 0.00 -0.59 0.00 8.00 -1.26 -4.56 116.55 117.82 1ieh n ASP 62 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1ieh n ASP 62 Cb 0.04 -0.09 0.07 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.31 2.17 -0.07 -2.24 7.64 -1.26 -4.14 113.62 116.02 1ieh n SER 63 Ca 0.00 -1.58 0.01 0.00 1.01 0.00 0.00 58.87 58.31 1ieh n SER 63 Cb 0.00 0.32 0.01 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.00 -1.64 0.44 0.24 -1.26 -4.86 118.33 111.51 1ieh n VAL 64 Ca 0.11 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.34 61.49 1ieh n VAL 64 Cb 0.49 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 1ieh n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1ieh n LYS 65 N -0.08 2.59 0.00 7.34 4.76 -1.26 -0.27 118.16 131.24 1ieh n LYS 65 Ca 0.01 0.90 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 1ieh n LYS 65 Cb 0.05 -3.06 0.00 0.00 -1.84 0.00 0.00 35.03 30.17 1ieh n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ieh n GLY 66 N 4.91 2.86 0.39 0.72 0.00 -1.26 -4.84 105.19 107.97 1ieh n GLY 66 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 1ieh n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ieh h ARG 67 N 0.39 -0.92 -6.00 1.61 9.65 -0.90 -3.46 114.38 114.76 1ieh h ARG 67 Ca 0.00 0.06 -0.59 0.00 -1.10 0.00 0.00 59.98 58.35 1ieh h ARG 67 Cb 0.00 0.21 -0.11 0.00 -1.39 0.00 0.00 29.97 28.68 1ieh h ARG 67 CO 0.00 -0.61 -0.62 -0.06 2.80 0.00 0.00 179.97 181.47 1ieh s PHE 68 N -4.64 2.53 -0.13 2.20 0.08 -0.88 -1.57 117.98 115.57 1ieh s PHE 68 Ca -0.14 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.46 1ieh s PHE 68 Cb 0.01 -1.49 0.02 0.00 -0.57 0.00 0.00 43.02 41.00 1ieh s PHE 68 CO 0.42 0.49 -0.11 0.99 -0.10 0.00 0.00 175.22 176.90 1ieh s THR 69 N -2.54 1.28 -0.27 0.64 2.01 -0.41 -4.85 115.64 111.50 1ieh s THR 69 Ca 0.35 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 61.79 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 0.16 -0.51 -0.69 0.00 0.00 174.62 174.18 1ieh s ILE 70 N 1.53 5.02 0.19 1.82 2.07 -1.26 -0.78 121.20 129.78 1ieh s ILE 70 Ca 0.04 0.05 -0.13 0.00 -1.41 0.00 0.00 60.65 59.19 1ieh s ILE 70 Cb -0.13 -3.39 0.01 0.00 0.13 0.00 0.00 42.46 39.08 1ieh s ILE 70 CO -0.08 0.26 0.40 -0.55 -1.91 0.00 0.00 174.94 173.05 1ieh s SER 71 N 1.71 -0.09 0.36 4.50 0.15 -0.54 -4.89 113.70 114.90 1ieh s SER 71 Ca 0.07 -0.74 -0.17 0.00 0.70 0.00 0.00 55.95 55.81 1ieh s SER 71 Cb -0.16 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.71 1ieh s SER 71 CO 0.09 -0.99 0.80 0.00 1.20 0.00 0.00 173.24 174.35 1ieh s ARG 72 N -3.94 2.11 0.28 5.44 1.70 -1.26 -0.26 118.95 123.01 1ieh s ARG 72 Ca 0.15 -1.34 0.04 0.00 -0.47 0.00 0.00 55.73 54.12 1ieh s ARG 72 Cb 0.01 0.60 0.04 0.00 -0.57 0.00 0.00 34.95 35.04 1ieh s ARG 72 CO 0.00 -0.98 0.34 -3.47 -1.08 0.00 0.00 175.30 170.11 1ieh n ASP 73 N -1.28 1.22 0.00 -2.89 2.03 -1.25 -5.00 116.55 109.39 1ieh n ASP 73 Ca -0.07 -1.78 0.00 0.00 0.52 0.00 0.00 54.79 53.45 1ieh n ASP 73 Cb 0.60 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1ieh n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1ieh n ASN 74 N -2.49 3.73 0.08 1.67 0.23 -1.26 -4.75 115.26 112.47 1ieh n ASN 74 Ca 0.06 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 54.00 1ieh n ASN 74 Cb 0.29 0.30 -0.11 0.00 -2.08 0.00 0.00 39.78 38.19 1ieh n ASN 74 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ieh h ALA 75 N 0.00 0.28 -1.92 -2.53 0.00 -1.99 -3.46 119.26 109.64 1ieh h ALA 75 Ca 0.00 -0.87 -0.49 0.00 0.00 0.00 0.00 54.91 53.55 1ieh h ALA 75 Cb 0.78 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1ieh h ALA 75 CO 0.00 1.08 -0.46 0.15 0.00 0.00 0.00 179.25 180.03 1ieh s LYS 76 N -2.77 2.79 -0.97 0.00 1.02 -1.26 -5.06 119.74 113.50 1ieh s LYS 76 Ca -0.02 -1.23 -0.01 0.00 0.02 0.00 0.00 55.97 54.74 1ieh s LYS 76 Cb 0.09 -2.52 0.31 0.00 -0.52 0.00 0.00 37.83 35.19 1ieh s LYS 76 CO 0.85 0.16 1.43 0.09 -0.92 0.00 0.00 175.35 176.95 1ieh n ASN 77 N -1.35 6.15 -3.90 2.83 4.13 -1.26 -4.70 115.26 117.16 1ieh n ASN 77 Ca -0.03 -3.51 -0.11 0.00 1.68 0.00 0.00 54.58 52.61 1ieh n ASN 77 Cb 0.59 -1.11 -0.13 0.00 -1.54 0.00 0.00 39.78 37.60 1ieh n ASN 77 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1ieh s THR 78 N -3.25 0.04 -0.05 3.41 -4.23 -1.26 -0.48 115.64 109.84 1ieh s THR 78 Ca 0.35 -0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1ieh s THR 78 Cb 0.11 -0.15 -0.03 0.00 1.34 0.00 0.00 72.50 73.77 1ieh s THR 78 CO 0.02 -0.19 0.00 -0.22 -0.54 0.00 0.00 174.62 173.69 1ieh s LEU 79 N -0.57 3.55 0.13 4.79 2.96 -0.70 -3.75 118.68 125.10 1ieh s LEU 79 Ca -0.06 0.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.99 1ieh s LEU 79 Cb -0.04 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 1ieh s LEU 79 CO -0.00 0.33 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.90 1ieh s TYR 80 N -0.98 1.53 -0.19 5.38 1.51 0.65 -0.99 117.35 124.26 1ieh s TYR 80 Ca 0.16 -0.52 -0.13 0.00 -1.01 0.00 0.00 57.07 55.57 1ieh s TYR 80 Cb -0.11 -0.79 0.06 0.00 -0.11 0.00 0.00 41.96 41.00 1ieh s TYR 80 CO 0.06 0.20 0.47 -1.17 -1.11 0.00 0.00 175.55 173.99 1ieh s LEU 81 N -2.48 -0.08 -0.42 -1.29 2.96 -1.02 -1.47 118.68 114.88 1ieh s LEU 81 Ca 0.10 0.99 -0.11 0.00 -0.22 0.00 0.00 54.13 54.89 1ieh s LEU 81 Cb -0.05 1.57 0.07 0.00 0.50 0.00 0.00 46.19 48.27 1ieh s LEU 81 CO 0.04 -0.19 0.29 -1.58 -1.32 0.00 0.00 176.35 173.59 1ieh s GLN 82 N 0.98 2.75 -0.88 1.98 2.00 0.04 -2.16 119.66 124.37 1ieh s GLN 82 Ca -0.06 -1.35 -0.22 0.00 -2.00 0.00 0.00 55.36 51.73 1ieh s GLN 82 Cb -0.06 -3.87 0.08 0.00 0.80 0.00 0.00 33.01 29.96 1ieh s GLN 82 CO -0.08 -0.92 1.22 -1.64 -0.50 0.00 0.00 175.29 173.36 1ieh s MET 83 N 1.51 3.45 -0.93 1.67 -1.94 0.08 -1.29 119.30 121.85 1ieh s MET 83 Ca 0.03 -1.18 -0.08 0.00 -1.71 0.00 0.00 55.69 52.74 1ieh s MET 83 Cb -0.23 -4.83 0.24 0.00 2.01 0.00 0.00 34.83 32.02 1ieh s MET 83 CO 0.04 -1.97 0.87 -0.80 -0.01 0.00 0.00 175.02 173.15 1ieh s ASN 84 N 4.09 6.65 0.00 3.03 0.01 -0.61 -1.65 114.94 126.47 1ieh s ASN 84 Ca 0.35 -3.27 0.00 0.00 -0.71 0.00 0.00 52.86 49.23 1ieh s ASN 84 Cb -0.06 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.49 1ieh s ASN 84 CO -0.03 -0.36 0.00 -1.54 -1.51 0.00 0.00 177.10 173.66 1ieh n SER 85 N 3.09 0.00 -2.83 -1.22 3.41 -1.21 -4.67 113.62 110.19 1ieh n SER 85 Ca 0.19 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.78 1ieh n SER 85 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1ieh n SER 85 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ieh n LEU 86 N 0.00 -6.14 -2.27 1.04 7.99 -1.26 -2.90 117.00 113.45 1ieh n LEU 86 Ca 0.00 1.42 -0.27 0.00 -0.01 0.00 0.00 56.01 57.15 1ieh n LEU 86 Cb 0.00 -2.73 0.02 0.00 -0.11 0.00 0.00 43.42 40.60 1ieh n LEU 86 CO 0.00 -3.06 0.44 2.29 -1.51 0.00 0.00 177.39 175.55 1ieh n LYS 87 N 1.38 3.39 -1.35 3.23 0.00 -1.26 -0.86 118.16 122.68 1ieh n LYS 87 Ca -0.12 -4.12 -0.13 0.00 -0.00 0.00 0.00 58.31 53.93 1ieh n LYS 87 Cb 0.29 -2.27 -0.06 0.00 -0.00 0.00 0.00 35.03 32.99 1ieh n LYS 87 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ieh n SER 88 N -0.65 -4.94 0.00 -5.58 7.64 -1.26 -4.67 113.62 104.16 1ieh n SER 88 Ca 0.45 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1ieh n SER 88 Cb 0.78 -3.98 0.00 0.00 -1.01 0.00 0.00 64.21 60.00 1ieh n SER 88 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ieh n GLU 89 N -1.35 2.19 0.00 1.43 4.07 -1.26 -4.95 120.64 120.77 1ieh n GLU 89 Ca -0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 1ieh n GLU 89 Cb 0.56 -0.96 0.00 0.00 -0.06 0.00 0.00 31.44 30.97 1ieh n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1ieh n ASP 90 N -2.11 0.00 -3.08 4.31 8.00 -1.26 -4.94 116.55 117.47 1ieh n ASP 90 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1ieh n ASP 90 Cb 0.46 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1ieh n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ieh n THR 91 N 0.00 -4.00 -3.82 -3.53 -1.04 -1.26 -4.98 114.28 95.66 1ieh n THR 91 Ca 0.00 0.76 -0.05 0.00 -2.04 0.00 0.00 64.05 62.71 1ieh n THR 91 Cb 0.00 -3.76 -0.01 0.00 -1.82 0.00 0.00 70.33 64.75 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 -1.03 -1.35 0.23 2.41 0.00 0.11 -4.60 121.76 117.53 1ieh s ALA 92 Ca -0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 1ieh s ALA 92 Cb 0.00 0.73 -0.08 0.00 0.00 0.00 0.00 23.12 23.77 1ieh s ALA 92 CO 0.16 -1.04 0.72 0.08 0.00 0.00 0.00 175.76 175.69 1ieh s VAL 93 N -3.21 4.58 -0.02 0.00 1.01 -0.81 -1.67 120.40 120.28 1ieh s VAL 93 Ca 0.14 1.26 0.06 0.00 0.00 0.00 0.00 61.98 63.43 1ieh s VAL 93 Cb -0.04 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1ieh s VAL 93 CO 0.06 0.19 -0.20 -0.31 0.00 0.00 0.00 175.10 174.84 1ieh s TYR 94 N -1.55 1.84 0.17 5.22 1.51 -0.42 -0.26 117.35 123.87 1ieh s TYR 94 Ca 0.43 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 1ieh s TYR 94 Cb -0.16 -1.20 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 1ieh s TYR 94 CO 0.21 -0.07 0.02 0.71 -1.11 0.00 0.00 175.55 175.31 1ieh s TYR 95 N -0.36 1.17 -0.04 2.71 1.51 -0.61 -2.26 117.35 119.46 1ieh s TYR 95 Ca 0.05 -1.09 0.07 0.00 -1.01 0.00 0.00 57.07 55.09 1ieh s TYR 95 Cb -0.09 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.08 1ieh s TYR 95 CO 0.00 -0.30 -0.24 0.00 -1.11 0.00 0.00 175.55 173.90 1ieh s ALA 97 N -0.31 -0.06 -0.17 0.00 0.00 -0.90 -3.72 121.76 116.60 1ieh s ALA 97 Ca 0.02 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 1ieh s ALA 97 Cb -0.12 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1ieh s ALA 97 CO 0.02 -0.51 0.36 0.21 0.00 0.00 0.00 175.76 175.84 1ieh s LYS 98 N -3.89 4.24 0.34 0.00 2.36 -1.26 -1.18 119.74 120.35 1ieh s LYS 98 Ca 0.08 0.20 -0.18 0.00 -2.55 0.00 0.00 55.97 53.52 1ieh s LYS 98 Cb 0.05 -3.47 -0.09 0.00 -1.05 0.00 0.00 37.83 33.27 1ieh s LYS 98 CO -0.09 0.12 0.80 0.71 1.55 0.00 0.00 175.35 178.45 1ieh s TYR 99 N 0.80 3.40 -0.14 4.03 2.02 0.98 -4.33 117.35 124.10 1ieh s TYR 99 Ca 0.19 1.36 -0.15 0.00 -0.37 0.00 0.00 57.07 58.11 1ieh s TYR 99 Cb -0.14 -2.64 -0.05 0.00 -0.40 0.00 0.00 41.96 38.72 1ieh s TYR 99 CO 0.07 0.07 -0.29 0.43 -1.57 0.00 0.00 175.55 174.25 1ieh n SER 100 N -0.29 1.79 0.00 2.29 7.64 -1.26 -4.29 113.62 119.49 1ieh n SER 100 Ca 0.04 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1ieh n SER 100 Cb 0.53 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 1.78 0.06 0.02 0.23 0.00 -1.26 -5.00 105.19 101.03 1ieh n GLY 101 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.08 0.36 2.77 -0.02 0.00 -1.26 -5.11 105.19 102.01 1ieh n GLY 102 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.39 0.90 4.61 0.00 -1.26 -5.15 121.76 120.48 1ieh s ALA 103 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 1ieh s ALA 103 Cb 0.00 -1.44 0.13 0.00 0.00 0.00 0.00 23.12 21.82 1ieh s ALA 103 CO 0.00 -1.29 1.09 -1.17 0.00 0.00 0.00 175.76 174.39 1ieh s LEU 104 N 2.35 2.23 -0.09 0.00 2.96 -1.26 -4.32 118.68 120.56 1ieh s LEU 104 Ca 0.08 1.50 0.11 0.00 -0.22 0.00 0.00 54.13 55.60 1ieh s LEU 104 Cb -0.15 -3.90 -0.16 0.00 0.50 0.00 0.00 46.19 42.47 1ieh s LEU 104 CO -0.16 -2.69 0.10 0.47 -1.32 0.00 0.00 176.35 172.75 1ieh n ASP 105 N -3.92 2.10 -2.28 3.68 9.92 -1.26 -5.04 116.55 119.75 1ieh n ASP 105 Ca 0.07 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1ieh n ASP 105 Cb 0.55 0.99 -0.00 0.00 -0.64 0.00 0.00 41.12 42.02 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 -2.31 -2.06 -2.94 2.24 0.00 -1.26 -5.09 120.51 109.08 1ieh n ALA 106 Ca -0.15 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ieh n ALA 106 Cb 0.75 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.74 0.00 -0.73 0.00 8.01 -1.24 -5.02 117.44 120.20 1ieh n TRP 107 Ca -0.00 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.29 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 2.82 -1.85 0.12 6.99 0.00 -1.05 -4.47 105.19 107.75 1ieh n GLY 108 Ca 0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 1ieh n GLY 108 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ieh h GLN 109 N -0.68 0.26 0.00 1.61 4.20 -1.73 -3.44 115.11 115.33 1ieh h GLN 109 Ca -0.01 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1ieh h GLN 109 Cb 0.67 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1ieh h GLN 109 CO 0.01 1.12 0.00 0.41 -0.67 0.00 0.00 178.83 179.71 1ieh n GLY 110 N 1.75 0.91 3.79 3.46 0.00 -1.24 -4.93 105.19 108.92 1ieh n GLY 110 Ca -0.20 -0.75 -0.38 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 5.16 -0.55 2.61 -1.32 -0.96 -4.92 115.64 115.66 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 -3.70 0.04 0.00 -1.51 0.00 0.00 72.50 67.33 1ieh s THR 111 CO 0.00 0.48 1.00 -1.58 -2.21 0.00 0.00 174.62 172.31 1ieh s GLN 112 N -0.31 3.38 -0.33 7.08 2.00 -1.26 -1.30 119.66 128.92 1ieh s GLN 112 Ca 0.22 -0.13 -0.10 0.00 -2.00 0.00 0.00 55.36 53.36 1ieh s GLN 112 Cb -0.15 -4.04 0.01 0.00 0.80 0.00 0.00 33.01 29.63 1ieh s GLN 112 CO 0.10 -1.52 0.16 0.08 -0.50 0.00 0.00 175.29 173.61 1ieh s VAL 113 N 4.18 4.49 0.05 1.34 1.01 -0.67 -3.17 120.40 127.62 1ieh s VAL 113 Ca 0.34 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1ieh s VAL 113 Cb -0.11 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1ieh s VAL 113 CO 0.21 -0.04 -0.11 -0.89 0.00 0.00 0.00 175.10 174.27 1ieh s THR 114 N 1.57 0.82 -0.42 3.92 2.01 -0.91 0.04 115.64 122.68 1ieh s THR 114 Ca 0.03 -1.05 -0.08 0.00 0.31 0.00 0.00 61.69 60.91 1ieh s THR 114 Cb -0.18 -0.81 0.09 0.00 0.01 0.00 0.00 72.50 71.61 1ieh s THR 114 CO 0.06 -0.20 0.25 0.54 -0.69 0.00 0.00 174.62 174.58 1ieh s VAL 115 N -1.11 4.08 -0.30 3.82 0.11 -1.26 -1.78 120.40 123.97 1ieh s VAL 115 Ca -0.04 -1.51 -0.02 0.00 -2.93 0.00 0.00 61.98 57.48 1ieh s VAL 115 Cb -0.09 -3.54 0.19 0.00 -1.53 0.00 0.00 36.38 31.41 1ieh s VAL 115 CO 0.01 -0.54 0.64 -0.55 -3.33 0.00 0.00 175.10 171.33 1ieh s SER 116 N 2.13 -1.31 -0.30 3.54 0.15 0.16 -4.74 113.70 113.31 1ieh s SER 116 Ca 0.04 0.78 -0.06 0.00 0.70 0.00 0.00 55.95 57.41 1ieh s SER 116 Cb -0.23 2.08 0.19 0.00 -1.71 0.00 0.00 66.02 66.35 1ieh s SER 116 CO 0.01 -0.25 0.78 -0.55 1.20 0.00 0.00 173.24 174.44 1ieh s SER 117 N 2.87 -1.02 0.30 5.45 0.15 -0.74 -4.26 113.70 116.44 1ieh s SER 117 Ca 0.18 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1ieh s SER 117 Cb -0.14 1.85 0.00 0.00 -1.71 0.00 0.00 66.02 66.01 1ieh s SER 117 CO -0.20 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.05 1ieh n GLN 118 N 5.44 -2.41 0.00 5.44 10.64 -1.26 -4.52 117.38 130.71 1ieh n GLN 118 Ca -0.03 1.63 0.00 0.00 -1.83 0.00 0.00 57.00 56.77 1ieh n GLN 118 Cb 0.52 -2.94 0.00 0.00 -0.86 0.00 0.00 30.24 26.96 1ieh n GLN 118 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1ieh n SER 119 N -4.33 0.22 -4.54 2.61 2.88 -1.26 -4.88 113.62 104.33 1ieh n SER 119 Ca -0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1ieh n SER 119 Cb 0.64 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.26 1ieh n SER 119 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ieh s GLU 120 N -1.99 0.59 0.00 -1.46 2.02 -1.26 -5.00 118.70 111.60 1ieh s GLU 120 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.17 1ieh s GLU 120 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.44 1ieh s GLU 120 CO 0.00 -2.55 0.00 0.94 0.02 0.00 0.00 175.26 173.67 1ieh n GLN 121 N -3.99 2.18 -3.70 1.61 7.27 -1.26 -5.11 117.38 114.38 1ieh n GLN 121 Ca 0.08 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.92 1ieh n GLN 121 Cb 0.59 -0.18 -0.02 0.00 2.41 0.00 0.00 30.24 33.04 1ieh n GLN 121 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1ieh s LYS 122 N 0.00 3.47 0.46 3.69 1.02 -1.26 -5.11 119.74 122.01 1ieh s LYS 122 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.49 1ieh s LYS 122 Cb 0.00 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1ieh s LYS 122 CO 0.00 0.32 0.67 -0.51 -0.92 0.00 0.00 175.35 174.91 1ieh s LEU 123 N -3.99 3.57 -0.46 3.17 1.43 -1.26 -4.97 118.68 116.18 1ieh s LEU 123 Ca 0.37 0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 1ieh s LEU 123 Cb -0.10 -2.98 -0.10 0.00 0.03 0.00 0.00 46.19 43.04 1ieh s LEU 123 CO 0.32 -0.81 2.34 -0.38 0.23 0.00 0.00 176.35 178.04 1ieh n ILE 124 N -2.09 0.10 -0.96 -0.59 -0.00 -1.26 -4.36 119.36 110.20 1ieh n ILE 124 Ca 0.04 -0.43 0.00 0.00 -0.00 0.00 0.00 62.75 62.35 1ieh n ILE 124 Cb 0.58 -2.02 0.00 0.00 -0.00 0.00 0.00 39.64 38.20 1ieh n ILE 124 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1ieh n SER 125 N 12.20 0.00 0.02 4.38 2.88 -1.26 -4.98 113.62 126.86 1ieh n SER 125 Ca 0.41 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1ieh n SER 125 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.00 0.00 0.05 -1.46 1.02 -1.26 -4.86 120.64 114.14 1ieh n GLU 126 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1ieh n GLU 126 Cb 0.21 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.55 1ieh n GLU 126 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ieh h GLU 127 N 0.00 -0.08 -2.08 3.49 9.09 -1.96 -3.08 114.58 119.96 1ieh h GLU 127 Ca 0.00 0.01 -0.66 0.00 0.05 0.00 0.00 59.36 58.75 1ieh h GLU 127 Cb 0.00 0.02 -0.22 0.00 -1.65 0.00 0.00 28.75 26.90 1ieh h GLU 127 CO 0.00 0.09 0.91 -3.47 0.05 0.00 0.00 179.01 176.59 1ieh n ASP 128 N -5.05 7.13 0.00 3.06 -0.08 -1.26 -4.02 116.55 116.33 1ieh n ASP 128 Ca -0.08 -3.51 0.00 0.00 -1.51 0.00 0.00 54.79 49.70 1ieh n ASP 128 Cb 0.12 -1.17 0.00 0.00 2.34 0.00 0.00 41.12 42.41 1ieh n ASP 128 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1ieh n LEU 129 N 0.29 0.00 -2.09 -2.67 7.94 -1.18 -4.65 117.00 114.65 1ieh n LEU 129 Ca 0.52 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 1ieh n LEU 129 Cb 0.37 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 1ieh n LEU 129 CO 0.45 0.00 -0.42 0.59 -1.11 0.00 0.00 177.39 176.91 1ieh n ASN 130 N -0.79 -8.35 -2.26 1.96 4.13 -1.17 -4.92 115.26 103.86 1ieh n ASN 130 Ca 0.00 1.51 -0.30 0.00 1.68 0.00 0.00 54.58 57.46 1ieh n ASN 130 Cb 0.00 -4.56 0.04 0.00 -1.54 0.00 0.00 39.78 33.73 1ieh n ASN 130 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ieh n HIS 131 N 1.57 3.03 -0.12 3.10 1.44 -1.26 -4.92 115.22 118.05 1ieh n HIS 131 Ca 0.00 -2.64 0.00 0.00 -2.01 0.00 0.00 57.72 53.07 1ieh n HIS 131 Cb 0.00 -0.85 0.00 0.00 0.12 0.00 0.00 29.99 29.26 1ieh n HIS 131 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1ieh n HIS 132 N -0.76 -1.09 0.05 -1.40 -0.00 -1.26 -4.96 115.22 105.80 1ieh n HIS 132 Ca 0.52 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.52 1ieh n HIS 132 Cb 0.75 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.54 1ieh n HIS 132 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1ieh h HIS 133 N -0.73 0.90 -3.35 1.57 3.86 -2.05 -3.44 115.15 111.92 1ieh h HIS 133 Ca 0.00 -0.49 -0.40 0.00 -1.16 0.00 0.00 60.37 58.32 1ieh h HIS 133 Cb 0.00 -0.10 -0.37 0.00 1.06 0.00 0.00 27.41 28.00 1ieh h HIS 133 CO 0.00 1.32 -0.76 -1.01 0.86 0.00 0.00 177.93 178.34 1ieh s HIS 134 N -3.30 0.46 0.00 2.45 0.09 -1.26 -5.31 115.29 108.41 1ieh s HIS 134 Ca -0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 55.06 54.94 1ieh s HIS 134 Cb 0.08 -0.62 0.00 0.00 -0.00 0.00 0.00 32.58 32.03 1ieh s HIS 134 CO 0.90 -0.24 0.00 1.58 -0.00 0.00 0.00 174.74 176.99