#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 5.05 -0.00 2.53 -7.23 -1.26 -5.08 120.40 114.41 1ieh s VAL 2 Ca 0.00 0.85 0.07 0.00 -1.81 0.00 0.00 61.98 61.09 1ieh s VAL 2 Cb 0.00 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 1ieh s VAL 2 CO 0.00 0.53 -0.22 -1.58 -0.31 0.00 0.00 175.10 173.52 1ieh s GLN 3 N -0.76 1.72 0.52 4.82 0.74 -1.19 -5.03 119.66 120.47 1ieh s GLN 3 Ca 0.24 -0.83 0.04 0.00 0.05 0.00 0.00 55.36 54.86 1ieh s GLN 3 Cb -0.16 -1.70 0.01 0.00 1.10 0.00 0.00 33.01 32.26 1ieh s GLN 3 CO 0.13 0.46 0.21 -0.51 -0.55 0.00 0.00 175.29 175.02 1ieh s LEU 4 N -0.66 2.57 -0.07 3.68 1.43 -1.26 -2.41 118.68 121.96 1ieh s LEU 4 Ca 0.08 -1.40 -0.03 0.00 -1.03 0.00 0.00 54.13 51.75 1ieh s LEU 4 Cb -0.09 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.16 1ieh s LEU 4 CO -0.00 -0.94 0.13 -1.58 0.23 0.00 0.00 176.35 174.19 1ieh s GLN 5 N -4.07 0.01 -0.17 1.70 0.74 -0.87 -2.91 119.66 114.10 1ieh s GLN 5 Ca 0.23 0.50 -0.08 0.00 0.05 0.00 0.00 55.36 56.06 1ieh s GLN 5 Cb 0.00 -0.32 -0.04 0.00 1.10 0.00 0.00 33.01 33.75 1ieh s GLN 5 CO 0.13 -0.30 0.10 0.00 -0.55 0.00 0.00 175.29 174.68 1ieh s ALA 6 N 2.14 3.62 0.16 1.58 0.00 -1.26 -0.66 121.76 127.34 1ieh s ALA 6 Ca 0.02 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1ieh s ALA 6 Cb -0.12 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1ieh s ALA 6 CO -0.05 0.31 -0.06 0.45 0.00 0.00 0.00 175.76 176.41 1ieh s SER 7 N -0.08 1.62 0.00 0.00 0.15 -0.13 -3.63 113.70 111.63 1ieh s SER 7 Ca 0.09 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1ieh s SER 7 Cb -0.12 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1ieh s SER 7 CO 0.00 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1ieh n GLY 8 N -0.22 0.40 1.96 9.45 0.00 -1.26 -2.23 105.19 113.30 1ieh n GLY 8 Ca -0.09 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.03 2.11 -0.02 0.00 -1.26 -4.73 105.19 97.25 1ieh n GLY 9 Ca 0.00 0.56 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 0.78 3.62 3.07 -0.02 0.00 -1.25 -4.86 105.19 106.52 1ieh n GLY 10 Ca -0.18 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.23 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 3.79 0.30 0.99 1.98 -1.26 -2.28 118.68 122.20 1ieh s LEU 11 Ca 0.04 -1.56 0.08 0.00 -2.89 0.00 0.00 54.13 49.80 1ieh s LEU 11 Cb -0.00 -1.58 -0.06 0.00 0.66 0.00 0.00 46.19 45.20 1ieh s LEU 11 CO 0.03 -0.24 -0.09 0.68 -1.89 0.00 0.00 176.35 174.84 1ieh s VAL 12 N 1.07 1.94 0.20 1.68 -7.23 -0.96 -4.97 120.40 112.13 1ieh s VAL 12 Ca -0.04 -2.18 0.06 0.00 -1.81 0.00 0.00 61.98 58.01 1ieh s VAL 12 Cb -0.20 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1ieh s VAL 12 CO -0.05 -0.29 0.10 0.00 -0.31 0.00 0.00 175.10 174.55 1ieh s GLN 13 N -3.66 2.72 -0.85 4.82 0.00 -1.25 -0.80 119.66 120.64 1ieh s GLN 13 Ca 0.30 -1.02 -0.21 0.00 -0.00 0.00 0.00 55.36 54.44 1ieh s GLN 13 Cb 0.02 -2.51 -0.20 0.00 0.00 0.00 0.00 33.01 30.32 1ieh s GLN 13 CO 0.14 0.45 2.34 -2.30 0.00 0.00 0.00 175.29 175.91 1ieh n PRO 14 N -0.52 0.38 0.00 9.60 -0.02 -1.26 -0.41 135.00 142.78 1ieh n PRO 14 Ca -0.08 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.88 1ieh n PRO 14 Cb 0.56 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 6.34 0.43 0.00 -1.23 0.00 0.13 -4.95 105.19 105.92 1ieh n GLY 15 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1ieh n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 16 N 0.00 0.84 3.62 -0.02 0.00 0.45 -4.75 105.19 105.33 1ieh n GLY 16 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.17 0.04 1.61 0.15 -1.26 -4.17 113.70 108.90 1ieh s SER 17 Ca 0.00 0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.85 1ieh s SER 17 Cb 0.00 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1ieh s SER 17 CO 0.00 -0.15 -0.07 -0.22 1.20 0.00 0.00 173.24 174.00 1ieh s LEU 18 N -1.00 2.24 -0.27 3.45 0.20 -0.76 -4.90 118.68 117.64 1ieh s LEU 18 Ca 0.05 -0.52 0.00 0.00 0.69 0.00 0.00 54.13 54.35 1ieh s LEU 18 Cb -0.01 -0.11 0.08 0.00 -0.43 0.00 0.00 46.19 45.72 1ieh s LEU 18 CO -0.05 -0.21 0.03 -0.60 -0.29 0.00 0.00 176.35 175.23 1ieh s ARG 19 N -1.50 1.10 0.28 1.98 3.52 -1.26 -0.45 118.95 122.62 1ieh s ARG 19 Ca -0.11 -1.06 0.07 0.00 -0.13 0.00 0.00 55.73 54.50 1ieh s ARG 19 Cb -0.10 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.89 1ieh s ARG 19 CO 0.00 -0.80 0.24 0.14 -0.81 0.00 0.00 175.30 174.06 1ieh s VAL 20 N 1.48 4.14 0.13 7.11 -7.23 -0.93 -4.81 120.40 120.28 1ieh s VAL 20 Ca 0.03 -1.38 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1ieh s VAL 20 Cb -0.18 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 1ieh s VAL 20 CO -0.14 -0.29 0.06 -0.94 -0.31 0.00 0.00 175.10 173.48 1ieh s SER 21 N -3.90 0.31 -0.28 4.85 1.04 -0.95 -2.18 113.70 112.59 1ieh s SER 21 Ca 0.36 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.59 1ieh s SER 21 Cb -0.07 0.30 0.16 0.00 0.10 0.00 0.00 66.02 66.51 1ieh s SER 21 CO 0.26 -0.73 0.47 0.00 0.98 0.00 0.00 173.24 174.22 1ieh s ALA 23 N 2.66 3.15 0.25 0.00 0.00 0.17 -0.40 121.76 127.59 1ieh s ALA 23 Ca 0.13 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.91 1ieh s ALA 23 Cb -0.13 -3.76 -0.08 0.00 0.00 0.00 0.00 23.12 19.14 1ieh s ALA 23 CO -0.23 -2.33 0.72 0.00 0.00 0.00 0.00 175.76 173.92 1ieh s ALA 24 N 4.08 3.39 -0.15 0.00 0.00 0.28 -2.05 121.76 127.31 1ieh s ALA 24 Ca 0.35 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1ieh s ALA 24 Cb -0.11 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.24 1ieh s ALA 24 CO 0.23 0.33 -0.17 0.45 0.00 0.00 0.00 175.76 176.60 1ieh s SER 25 N -1.86 2.85 0.00 0.00 0.15 -1.01 -4.74 113.70 109.09 1ieh s SER 25 Ca 0.46 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1ieh s SER 25 Cb -0.14 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1ieh s SER 25 CO 0.20 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1ieh n GLY 26 N 4.52 3.09 0.48 9.45 0.00 -1.26 -3.16 105.19 118.31 1ieh n GLY 26 Ca -0.19 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.01 -5.04 1.61 1.16 -1.26 -5.07 117.46 108.84 1ieh n PHE 27 Ca 0.00 -0.39 -0.31 0.00 -1.87 0.00 0.00 57.45 54.89 1ieh n PHE 27 Cb 0.00 0.01 -0.15 0.00 -1.61 0.00 0.00 39.48 37.73 1ieh n PHE 27 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1ieh s THR 28 N -1.85 2.28 0.00 1.97 2.01 -1.26 -4.82 115.64 113.98 1ieh s THR 28 Ca 0.04 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1ieh s THR 28 Cb 0.00 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.65 1ieh s THR 28 CO 0.03 0.48 0.00 0.49 -0.69 0.00 0.00 174.62 174.92 1ieh n PHE 29 N 2.08 -3.52 -1.43 4.92 3.01 -1.26 -4.03 117.46 117.23 1ieh n PHE 29 Ca -0.16 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.14 1ieh n PHE 29 Cb 0.52 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.92 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 -2.93 -4.92 0.00 4.37 2.88 -1.26 -4.46 113.62 107.29 1ieh n SER 30 Ca 0.00 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1ieh n SER 30 Cb 0.00 -4.16 0.00 0.00 -0.75 0.00 0.00 64.21 59.30 1ieh n SER 30 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ieh n SER 31 N -1.01 0.00 -4.67 -3.46 2.88 -1.26 -4.49 113.62 101.61 1ieh n SER 31 Ca -0.16 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.16 1ieh n SER 31 Cb 0.58 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.06 1ieh n SER 31 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1ieh n TYR 32 N -0.12 -1.04 -3.97 0.66 4.02 -1.26 -4.75 117.16 110.71 1ieh n TYR 32 Ca 0.00 -2.13 -0.33 0.00 -0.01 0.00 0.00 57.90 55.43 1ieh n TYR 32 Cb 0.00 -0.44 -0.14 0.00 -0.02 0.00 0.00 39.34 38.74 1ieh n TYR 32 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1ieh s HIS 33 N -2.51 3.56 0.57 -0.72 3.76 -1.26 -3.20 115.29 115.49 1ieh s HIS 33 Ca 0.36 -2.59 0.06 0.00 -0.15 0.00 0.00 55.06 52.74 1ieh s HIS 33 Cb -0.03 -2.66 0.05 0.00 1.11 0.00 0.00 32.58 31.05 1ieh s HIS 33 CO 0.23 -0.92 0.47 -1.64 -0.85 0.00 0.00 174.74 172.03 1ieh s MET 34 N 1.04 2.24 0.07 1.40 -1.94 -1.23 -0.30 119.30 120.58 1ieh s MET 34 Ca 0.04 -2.02 -0.26 0.00 -1.71 0.00 0.00 55.69 51.74 1ieh s MET 34 Cb -0.20 -2.16 0.09 0.00 2.01 0.00 0.00 34.83 34.57 1ieh s MET 34 CO -0.06 -0.71 0.74 0.00 -0.01 0.00 0.00 175.02 174.99 1ieh s ALA 35 N -2.79 -1.72 -0.10 3.03 0.00 -0.19 -2.24 121.76 117.76 1ieh s ALA 35 Ca 0.36 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 1ieh s ALA 35 Cb -0.03 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1ieh s ALA 35 CO 0.23 -0.71 0.05 -1.58 0.00 0.00 0.00 175.76 173.75 1ieh s TRP 36 N -3.34 3.32 0.27 0.00 0.52 0.41 -2.09 118.94 118.04 1ieh s TRP 36 Ca 0.03 0.31 0.06 0.00 0.02 0.00 0.00 56.10 56.51 1ieh s TRP 36 Cb -0.01 -1.84 -0.06 0.00 -1.15 0.00 0.00 33.47 30.41 1ieh s TRP 36 CO -0.10 0.56 -0.03 0.14 0.02 0.00 0.00 176.95 177.54 1ieh s VAL 37 N -0.93 1.45 0.00 4.03 -7.23 -0.23 -0.51 120.40 116.99 1ieh s VAL 37 Ca 0.14 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1ieh s VAL 37 Cb -0.12 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.37 1ieh s VAL 37 CO 0.03 -0.28 0.09 -0.60 -0.31 0.00 0.00 175.10 174.03 1ieh s ARG 38 N -3.78 0.41 -0.13 4.82 3.52 0.68 -2.01 118.95 122.47 1ieh s ARG 38 Ca 0.30 -0.42 -0.05 0.00 -0.13 0.00 0.00 55.73 55.43 1ieh s ARG 38 Cb 0.05 0.17 0.06 0.00 -1.56 0.00 0.00 34.95 33.67 1ieh s ARG 38 CO 0.11 -0.09 0.26 -1.14 -0.81 0.00 0.00 175.30 173.63 1ieh s GLN 39 N -1.31 0.14 0.00 5.12 0.74 0.50 0.43 119.66 125.29 1ieh s GLN 39 Ca -0.14 0.74 0.00 0.00 0.05 0.00 0.00 55.36 56.01 1ieh s GLN 39 Cb -0.08 -0.05 0.00 0.00 1.10 0.00 0.00 33.01 33.99 1ieh s GLN 39 CO 0.01 -0.29 0.00 0.00 -0.55 0.00 0.00 175.29 174.46 1ieh n ALA 40 N 5.35 0.00 -0.35 1.58 0.00 -1.26 -0.97 120.51 124.87 1ieh n ALA 40 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ieh n ALA 40 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1ieh n ALA 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ieh n PRO 41 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -3.68 135.00 130.04 1ieh n PRO 41 Ca 0.00 0.33 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 1ieh n PRO 41 Cb 0.00 -1.25 0.44 0.00 -0.02 0.00 0.00 33.50 32.67 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 -0.35 -0.73 7.00 -1.23 0.00 -1.26 -5.03 105.19 103.59 1ieh n GLY 42 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1ieh n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ieh n LYS 43 N -0.76 0.00 -1.47 1.61 2.85 -1.24 -4.77 118.16 114.38 1ieh n LYS 43 Ca 0.13 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.22 1ieh n LYS 43 Cb 0.33 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.64 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 0.00 1.54 0.88 2.58 0.00 -1.26 -4.58 105.19 104.35 1ieh n GLY 44 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.85 -0.64 -3.64 0.99 -0.00 -1.25 -5.04 117.00 105.57 1ieh n LEU 45 Ca -0.16 1.49 -0.04 0.00 -0.00 0.00 0.00 56.01 57.30 1ieh n LEU 45 Cb 0.64 -1.87 -0.06 0.00 -0.00 0.00 0.00 43.42 42.13 1ieh n LEU 45 CO 0.25 -1.31 0.33 -0.70 -0.00 0.00 0.00 177.39 175.96 1ieh s GLU 46 N -3.81 0.64 -0.39 1.96 2.12 0.17 -4.90 118.70 114.50 1ieh s GLU 46 Ca 0.00 1.29 -0.29 0.00 0.36 0.00 0.00 54.97 56.33 1ieh s GLU 46 Cb 0.00 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.81 1ieh s GLU 46 CO 0.00 -0.17 1.46 -0.46 -0.54 0.00 0.00 175.26 175.55 1ieh s TRP 47 N 2.11 2.33 -0.13 5.30 -0.00 -1.26 -0.23 118.94 127.06 1ieh s TRP 47 Ca -0.08 0.67 -0.08 0.00 -0.00 0.00 0.00 56.10 56.61 1ieh s TRP 47 Cb -0.08 -4.26 -0.05 0.00 -0.00 0.00 0.00 33.47 29.09 1ieh s TRP 47 CO -0.19 -2.12 0.02 -0.39 -0.00 0.00 0.00 176.95 174.27 1ieh h VAL 48 N 6.47 0.24 -3.57 5.86 -1.51 -1.13 -3.33 116.25 119.28 1ieh h VAL 48 Ca -0.28 -1.22 -0.37 0.00 -1.23 0.00 0.00 66.70 63.59 1ieh h VAL 48 Cb 1.11 0.50 -0.17 0.00 -2.13 0.00 0.00 31.29 30.60 1ieh h VAL 48 CO 1.07 0.08 -0.74 -0.44 -1.23 0.00 0.00 177.57 176.31 1ieh s SER 49 N -5.79 1.80 -0.02 4.19 0.01 -1.07 -1.74 113.70 111.09 1ieh s SER 49 Ca -0.10 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.32 1ieh s SER 49 Cb 0.01 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.22 1ieh s SER 49 CO 0.19 -0.21 0.01 -0.89 0.41 0.00 0.00 173.24 172.75 1ieh s THR 50 N -2.45 0.06 0.12 1.44 2.01 -0.16 -0.44 115.64 116.21 1ieh s THR 50 Ca 0.09 0.09 0.10 0.00 0.31 0.00 0.00 61.69 62.28 1ieh s THR 50 Cb -0.03 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 1ieh s THR 50 CO 0.02 0.08 -0.26 -0.51 -0.69 0.00 0.00 174.62 173.26 1ieh s ILE 51 N 0.66 2.19 0.22 1.82 2.07 -0.95 -2.54 121.20 124.67 1ieh s ILE 51 Ca -0.06 -1.69 0.04 0.00 -1.41 0.00 0.00 60.65 57.53 1ieh s ILE 51 Cb -0.09 -1.93 -0.03 0.00 0.13 0.00 0.00 42.46 40.54 1ieh s ILE 51 CO -0.02 0.11 0.35 0.20 -1.91 0.00 0.00 174.94 173.68 1ieh s ASN 52 N -1.94 6.33 0.00 4.50 0.01 -1.24 -3.50 114.94 119.11 1ieh s ASN 52 Ca 0.13 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.41 1ieh s ASN 52 Cb -0.10 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.67 1ieh s ASN 52 CO 0.05 -0.05 0.31 -2.65 -1.51 0.00 0.00 177.10 173.25 1ieh n PRO 53 N -1.18 0.00 0.00 -0.60 -0.02 -1.19 -4.42 135.00 127.58 1ieh n PRO 53 Ca -0.08 0.14 0.04 0.00 -2.02 0.00 0.00 63.50 61.57 1ieh n PRO 53 Cb 0.56 -0.81 0.02 0.00 -0.02 0.00 0.00 33.50 33.26 1ieh n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ieh n GLY 54 N -0.45 -0.62 0.34 -1.23 0.00 -1.26 -4.67 105.19 97.30 1ieh n GLY 54 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 1ieh n GLY 54 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ieh h ASP 55 N 1.33 -0.69 0.00 1.61 1.82 -1.99 -3.47 116.42 115.03 1ieh h ASP 55 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ieh h ASP 55 Cb 0.30 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1ieh h ASP 55 CO 0.00 -0.45 0.00 0.61 -1.61 0.00 0.00 179.24 177.79 1ieh n GLY 56 N -1.25 2.64 3.75 -0.78 0.00 -1.26 -5.07 105.19 103.21 1ieh n GLY 56 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1ieh n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ieh s SER 57 N -0.64 5.35 0.04 1.61 1.04 -1.26 -4.86 113.70 114.97 1ieh s SER 57 Ca 0.00 2.69 0.04 0.00 0.48 0.00 0.00 55.95 59.16 1ieh s SER 57 Cb 0.00 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1ieh s SER 57 CO 0.00 -1.51 -0.12 0.42 0.98 0.00 0.00 173.24 173.01 1ieh s THR 58 N -1.35 0.93 -0.00 2.02 -4.23 -1.26 -3.58 115.64 108.16 1ieh s THR 58 Ca 0.71 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 60.32 1ieh s THR 58 Cb -0.38 -0.86 -0.01 0.00 1.34 0.00 0.00 72.50 72.58 1ieh s THR 58 CO 0.45 -0.06 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.05 1ieh s TYR 59 N -0.88 1.01 0.34 3.99 2.02 -1.05 -5.01 117.35 117.76 1ieh s TYR 59 Ca -0.01 -0.20 0.05 0.00 -0.37 0.00 0.00 57.07 56.54 1ieh s TYR 59 Cb -0.08 -0.64 -0.07 0.00 -0.40 0.00 0.00 41.96 40.77 1ieh s TYR 59 CO 0.01 -0.01 0.04 0.71 -1.57 0.00 0.00 175.55 174.72 1ieh s TYR 60 N -0.32 2.07 -1.77 2.71 1.51 -1.26 -0.99 117.35 119.31 1ieh s TYR 60 Ca 0.04 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 1ieh s TYR 60 Cb -0.05 -1.36 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1ieh s TYR 60 CO -0.00 0.12 0.64 0.00 -1.11 0.00 0.00 175.55 175.19 1ieh n ALA 61 N -0.73 2.19 0.00 3.71 0.00 -0.71 -4.82 120.51 120.16 1ieh n ALA 61 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 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 -3.47 0.00 0.00 0.00 177.50 174.03 1ieh n ASP 62 N -0.35 0.00 -1.14 0.00 -0.08 -1.26 -4.56 116.55 109.16 1ieh n ASP 62 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 1ieh n ASP 62 Cb 0.04 0.00 0.27 0.00 2.34 0.00 0.00 41.12 43.78 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 0.83 3.30 0.00 1.67 7.64 -1.26 -4.05 113.62 121.76 1ieh n SER 63 Ca 0.00 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1ieh n SER 63 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 1.31 0.00 -1.68 0.44 0.24 -1.26 -4.96 118.33 112.42 1ieh n VAL 64 Ca 0.21 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 62.06 1ieh n VAL 64 Cb 0.52 1.64 -0.03 0.00 -1.47 0.00 0.00 33.84 34.50 1ieh n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1ieh n LYS 65 N -0.02 2.79 0.00 7.34 3.00 -1.26 -0.36 118.16 129.66 1ieh n LYS 65 Ca 0.00 1.02 0.00 0.00 -0.00 0.00 0.00 58.31 59.33 1ieh n LYS 65 Cb 0.16 -2.93 0.00 0.00 0.00 0.00 0.00 35.03 32.25 1ieh n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ieh n GLY 66 N 4.36 2.91 0.21 3.14 0.00 -1.26 -4.81 105.19 109.74 1ieh n GLY 66 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 0.85 -0.44 -6.05 1.61 9.65 -1.03 -3.46 114.38 115.51 1ieh h ARG 67 Ca 0.00 0.03 -0.56 0.00 -1.10 0.00 0.00 59.98 58.35 1ieh h ARG 67 Cb 0.00 0.10 -0.09 0.00 -1.39 0.00 0.00 29.97 28.59 1ieh h ARG 67 CO 0.00 -0.11 -0.57 -0.06 2.80 0.00 0.00 179.97 182.02 1ieh s PHE 68 N -4.39 2.63 -0.14 2.20 0.08 -0.97 -2.03 117.98 115.37 1ieh s PHE 68 Ca -0.14 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.50 1ieh s PHE 68 Cb 0.02 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.91 1ieh s PHE 68 CO 0.50 0.40 -0.13 0.99 -0.10 0.00 0.00 175.22 176.87 1ieh s THR 69 N -2.47 1.48 -0.28 0.64 2.01 -0.48 -4.90 115.64 111.63 1ieh s THR 69 Ca 0.36 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 1ieh s THR 69 Cb -0.01 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1ieh s THR 69 CO 0.21 0.44 0.15 -0.51 -0.69 0.00 0.00 174.62 174.22 1ieh s ILE 70 N 1.43 4.87 0.10 1.82 2.07 -1.26 -0.93 121.20 129.30 1ieh s ILE 70 Ca 0.03 -0.08 -0.14 0.00 -1.41 0.00 0.00 60.65 59.05 1ieh s ILE 70 Cb -0.13 -3.36 0.02 0.00 0.13 0.00 0.00 42.46 39.12 1ieh s ILE 70 CO -0.09 0.22 0.33 -0.55 -1.91 0.00 0.00 174.94 172.94 1ieh s SER 71 N 1.69 -0.13 0.20 4.50 0.15 -0.77 -4.89 113.70 114.45 1ieh s SER 71 Ca 0.06 -0.37 -0.05 0.00 0.70 0.00 0.00 55.95 56.30 1ieh s SER 71 Cb -0.16 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1ieh s SER 71 CO 0.08 -0.78 0.22 0.00 1.20 0.00 0.00 173.24 173.96 1ieh s ARG 72 N -3.59 1.25 0.03 5.44 3.03 -1.26 -0.22 118.95 123.63 1ieh s ARG 72 Ca 0.02 -1.47 -0.09 0.00 2.03 0.00 0.00 55.73 56.22 1ieh s ARG 72 Cb 0.02 0.33 -0.05 0.00 -1.03 0.00 0.00 34.95 34.22 1ieh s ARG 72 CO -0.10 -0.44 0.33 -0.51 -1.13 0.00 0.00 175.30 173.45 1ieh s ASP 73 N -3.09 6.58 -0.01 -2.89 1.01 -1.24 -4.98 116.67 112.05 1ieh s ASP 73 Ca 0.31 0.69 0.18 0.00 0.71 0.00 0.00 52.55 54.44 1ieh s ASP 73 Cb 0.05 -2.14 0.52 0.00 1.01 0.00 0.00 42.92 42.36 1ieh s ASP 73 CO 0.09 0.24 1.43 -0.46 0.21 0.00 0.00 175.17 176.68 1ieh n ASN 74 N 1.15 3.22 -0.23 0.27 0.23 -1.26 -3.86 115.26 114.79 1ieh n ASN 74 Ca -0.11 -2.04 0.03 0.00 -0.53 0.00 0.00 54.58 51.92 1ieh n ASN 74 Cb 0.53 -0.41 0.03 0.00 -2.08 0.00 0.00 39.78 37.85 1ieh n ASN 74 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ieh n ALA 75 N 1.17 2.39 -3.49 -2.53 0.00 -1.26 -4.99 120.51 111.79 1ieh n ALA 75 Ca 0.20 -0.68 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 1ieh n ALA 75 Cb 0.52 -0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 1ieh n ALA 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ieh s LYS 76 N -0.57 0.94 -1.34 0.00 -2.85 -1.25 -5.07 119.74 109.59 1ieh s LYS 76 Ca 0.07 -0.24 -0.14 0.00 -1.00 0.00 0.00 55.97 54.66 1ieh s LYS 76 Cb 0.05 0.43 0.10 0.00 -2.06 0.00 0.00 37.83 36.35 1ieh s LYS 76 CO 0.07 -0.39 1.88 0.27 0.10 0.00 0.00 175.35 177.28 1ieh n ASN 77 N -0.05 4.66 -4.04 0.03 0.23 -1.26 -4.52 115.26 110.30 1ieh n ASN 77 Ca -0.12 -2.94 -0.10 0.00 -0.53 0.00 0.00 54.58 50.89 1ieh n ASN 77 Cb 0.62 -1.63 -0.11 0.00 -2.08 0.00 0.00 39.78 36.58 1ieh n ASN 77 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1ieh s THR 78 N 2.61 0.31 -0.12 5.53 2.01 -1.26 -0.56 115.64 124.17 1ieh s THR 78 Ca 0.47 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1ieh s THR 78 Cb 0.07 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.87 1ieh s THR 78 CO -0.01 -0.59 -0.16 -0.22 -0.69 0.00 0.00 174.62 172.95 1ieh s LEU 79 N -1.92 1.78 0.30 4.42 2.96 0.46 -3.66 118.68 123.02 1ieh s LEU 79 Ca -0.07 -0.46 0.10 0.00 -0.22 0.00 0.00 54.13 53.47 1ieh s LEU 79 Cb -0.05 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 1ieh s LEU 79 CO -0.03 0.02 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.69 1ieh s TYR 80 N 1.03 2.59 -0.23 5.38 1.51 0.70 -0.23 117.35 128.10 1ieh s TYR 80 Ca -0.05 -0.31 -0.18 0.00 -1.01 0.00 0.00 57.07 55.52 1ieh s TYR 80 Cb -0.15 -1.28 0.06 0.00 -0.11 0.00 0.00 41.96 40.49 1ieh s TYR 80 CO -0.03 0.57 0.59 -1.17 -1.11 0.00 0.00 175.55 174.41 1ieh s LEU 81 N -3.67 -0.42 -0.37 -1.29 2.96 -0.93 -1.84 118.68 113.12 1ieh s LEU 81 Ca 0.33 1.23 -0.11 0.00 -0.22 0.00 0.00 54.13 55.36 1ieh s LEU 81 Cb -0.04 2.03 0.02 0.00 0.50 0.00 0.00 46.19 48.70 1ieh s LEU 81 CO 0.19 -0.21 0.20 -1.58 -1.32 0.00 0.00 176.35 173.63 1ieh s GLN 82 N 0.81 2.89 -0.66 1.98 2.00 -0.10 -2.19 119.66 124.39 1ieh s GLN 82 Ca -0.04 -1.03 -0.25 0.00 -2.00 0.00 0.00 55.36 52.04 1ieh s GLN 82 Cb -0.05 -3.71 0.05 0.00 0.80 0.00 0.00 33.01 30.09 1ieh s GLN 82 CO -0.06 -0.66 1.10 -1.64 -0.50 0.00 0.00 175.29 173.52 1ieh s MET 83 N 1.56 3.23 0.36 1.67 -1.94 0.40 -1.38 119.30 123.20 1ieh s MET 83 Ca 0.02 -0.39 0.07 0.00 -1.71 0.00 0.00 55.69 53.68 1ieh s MET 83 Cb -0.19 -4.15 -0.01 0.00 2.01 0.00 0.00 34.83 32.49 1ieh s MET 83 CO 0.07 -1.85 0.46 -0.80 -0.01 0.00 0.00 175.02 172.88 1ieh s ASN 84 N 3.46 5.74 0.00 3.03 -0.87 -0.86 -1.83 114.94 123.61 1ieh s ASN 84 Ca 0.31 -0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.27 1ieh s ASN 84 Cb -0.12 -1.02 0.00 0.00 -0.02 0.00 0.00 41.25 40.09 1ieh s ASN 84 CO 0.15 -0.51 0.00 -0.24 -2.57 0.00 0.00 177.10 173.93 1ieh n SER 85 N -1.64 0.00 -1.47 -1.22 2.88 -1.26 -4.68 113.62 106.22 1ieh n SER 85 Ca 0.02 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.62 1ieh n SER 85 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1ieh n SER 85 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ieh n LEU 86 N 0.00 -1.39 0.02 2.46 7.99 -1.26 0.23 117.00 125.05 1ieh n LEU 86 Ca 0.00 2.61 0.00 0.00 -0.01 0.00 0.00 56.01 58.61 1ieh n LEU 86 Cb 0.00 -2.98 0.00 0.00 -0.11 0.00 0.00 43.42 40.33 1ieh n LEU 86 CO 0.00 -1.29 0.00 2.29 -1.51 0.00 0.00 177.39 176.88 1ieh n LYS 87 N -3.24 0.00 0.00 3.23 2.85 -1.26 -4.05 118.16 115.69 1ieh n LYS 87 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1ieh n LYS 87 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 1ieh n LYS 87 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1ieh n SER 88 N -2.16 0.00 0.18 -5.58 7.64 -1.26 -4.78 113.62 107.66 1ieh n SER 88 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1ieh n SER 88 Cb 0.00 0.13 0.62 0.00 -1.01 0.00 0.00 64.21 63.95 1ieh n SER 88 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1ieh h GLU 89 N 0.00 0.07 0.00 1.43 4.11 -2.01 -0.88 114.58 117.30 1ieh h GLU 89 Ca 0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1ieh h GLU 89 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1ieh h GLU 89 CO 0.00 0.04 -0.13 0.22 0.07 0.00 0.00 179.01 179.21 1ieh h ASP 90 N 0.07 0.00 -0.63 3.06 3.58 -1.94 -3.39 116.42 117.17 1ieh h ASP 90 Ca 0.07 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.29 1ieh h ASP 90 Cb 0.18 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 1ieh h ASP 90 CO -0.01 0.13 0.58 -0.89 -2.88 0.00 0.00 179.24 176.17 1ieh s THR 91 N -4.64 3.35 0.05 2.25 2.01 -0.34 -4.67 115.64 113.65 1ieh s THR 91 Ca -0.04 -0.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.38 1ieh s THR 91 Cb 0.15 -3.80 0.10 0.00 0.01 0.00 0.00 72.50 68.96 1ieh s THR 91 CO 0.66 -0.74 1.17 0.00 -0.69 0.00 0.00 174.62 175.03 1ieh s ALA 92 N 11.19 -2.03 -0.15 7.40 0.00 0.63 -4.36 121.76 134.43 1ieh s ALA 92 Ca 0.75 0.44 -0.22 0.00 0.00 0.00 0.00 51.96 52.92 1ieh s ALA 92 Cb -0.08 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1ieh s ALA 92 CO 0.02 -1.06 0.68 0.08 0.00 0.00 0.00 175.76 175.48 1ieh s VAL 93 N -2.68 5.01 0.08 0.00 1.01 -0.14 -1.34 120.40 122.33 1ieh s VAL 93 Ca 0.14 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.48 1ieh s VAL 93 Cb 0.02 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1ieh s VAL 93 CO -0.01 0.14 0.10 -0.31 0.00 0.00 0.00 175.10 175.02 1ieh s TYR 94 N 1.59 3.24 0.09 5.22 1.51 -0.01 -0.37 117.35 128.62 1ieh s TYR 94 Ca 0.33 0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 56.46 1ieh s TYR 94 Cb -0.16 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1ieh s TYR 94 CO 0.13 0.53 0.08 0.71 -1.11 0.00 0.00 175.55 175.89 1ieh s TYR 95 N -1.41 0.51 -0.02 2.71 1.51 -0.85 -2.39 117.35 117.41 1ieh s TYR 95 Ca 0.30 -0.96 0.04 0.00 -1.01 0.00 0.00 57.07 55.44 1ieh s TYR 95 Cb -0.12 -0.30 -0.03 0.00 -0.11 0.00 0.00 41.96 41.40 1ieh s TYR 95 CO 0.23 -0.49 -0.13 0.00 -1.11 0.00 0.00 175.55 174.05 1ieh s ALA 97 N -0.83 -0.64 0.26 0.00 0.00 -0.89 -3.48 121.76 116.18 1ieh s ALA 97 Ca 0.13 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 1ieh s ALA 97 Cb -0.11 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 23.83 1ieh s ALA 97 CO 0.03 -0.78 0.55 0.21 0.00 0.00 0.00 175.76 175.77 1ieh s LYS 98 N -3.92 3.71 -0.35 0.00 2.20 -1.26 -1.02 119.74 119.11 1ieh s LYS 98 Ca 0.13 0.14 -0.25 0.00 -0.36 0.00 0.00 55.97 55.62 1ieh s LYS 98 Cb -0.00 -2.65 0.01 0.00 -1.51 0.00 0.00 37.83 33.68 1ieh s LYS 98 CO -0.00 0.26 0.89 -0.47 -0.36 0.00 0.00 175.35 175.67 1ieh s TYR 99 N -1.96 3.12 -0.17 4.03 5.04 0.59 -4.43 117.35 123.57 1ieh s TYR 99 Ca 0.46 0.81 -0.15 0.00 -2.44 0.00 0.00 57.07 55.75 1ieh s TYR 99 Cb -0.11 -3.52 -0.06 0.00 0.35 0.00 0.00 41.96 38.63 1ieh s TYR 99 CO 0.26 -0.74 -0.28 -1.13 -1.34 0.00 0.00 175.55 172.31 1ieh n SER 100 N 6.60 1.90 0.00 4.32 3.41 -1.26 -4.94 113.62 123.65 1ieh n SER 100 Ca 0.06 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1ieh n SER 100 Cb 0.48 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1ieh n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ieh n GLY 101 N 1.50 0.11 0.04 5.00 0.00 -1.26 -5.05 105.19 105.53 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 2.25 0.55 0.00 -0.02 0.00 -1.26 -4.91 105.19 101.80 1ieh n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ieh n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ieh n ALA 103 N 0.00 0.99 -1.37 4.61 0.00 -1.26 -5.11 120.51 118.37 1ieh n ALA 103 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 53.44 53.61 1ieh n ALA 103 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 1ieh n ALA 103 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ieh n LEU 104 N -0.47 -0.81 -0.02 0.00 7.94 -1.26 -4.87 117.00 117.50 1ieh n LEU 104 Ca 0.00 1.86 -0.03 0.00 -1.11 0.00 0.00 56.01 56.73 1ieh n LEU 104 Cb 0.01 -4.39 -0.03 0.00 0.53 0.00 0.00 43.42 39.53 1ieh n LEU 104 CO 0.00 -2.94 -0.66 -0.67 -1.11 0.00 0.00 177.39 172.00 1ieh n ASP 105 N -4.20 3.75 -1.80 1.96 2.03 -1.26 -4.99 116.55 112.04 1ieh n ASP 105 Ca -0.03 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1ieh n ASP 105 Cb 0.64 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.39 1ieh n ASP 105 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ieh n ALA 106 N -2.35 -2.25 -3.00 -1.67 0.00 -1.26 -5.11 120.51 104.87 1ieh n ALA 106 Ca -0.08 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1ieh n ALA 106 Cb 0.63 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.48 0.00 -0.41 0.00 8.01 -1.23 -5.03 117.44 120.26 1ieh n TRP 107 Ca 0.00 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.25 1ieh n TRP 107 Cb 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.28 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 2.59 -1.63 0.07 6.99 0.00 -1.14 -4.43 105.19 107.63 1ieh n GLY 108 Ca 0.00 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 1ieh n GLY 108 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1ieh h GLN 109 N -0.38 0.00 0.00 1.61 -0.00 -1.74 -3.44 115.11 111.15 1ieh h GLN 109 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ieh h GLN 109 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.86 1ieh h GLN 109 CO 0.01 0.83 0.00 0.41 0.00 0.00 0.00 178.83 180.08 1ieh n GLY 110 N 1.63 2.36 3.61 2.39 0.00 -1.24 -4.92 105.19 109.02 1ieh n GLY 110 Ca -0.09 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 5.24 -0.33 2.61 -1.32 -1.00 -4.93 115.64 115.91 1ieh s THR 111 Ca 0.00 0.40 -0.25 0.00 -1.21 0.00 0.00 61.69 60.63 1ieh s THR 111 Cb 0.00 -3.62 0.01 0.00 -1.51 0.00 0.00 72.50 67.38 1ieh s THR 111 CO 0.00 0.21 0.89 -1.58 -2.21 0.00 0.00 174.62 171.93 1ieh s GLN 112 N 1.82 3.95 -0.26 7.08 2.00 -1.26 -0.83 119.66 132.17 1ieh s GLN 112 Ca 0.12 0.69 -0.06 0.00 -2.00 0.00 0.00 55.36 54.11 1ieh s GLN 112 Cb -0.16 -3.75 -0.01 0.00 0.80 0.00 0.00 33.01 29.89 1ieh s GLN 112 CO 0.10 -0.80 0.04 0.08 -0.50 0.00 0.00 175.29 174.20 1ieh s VAL 113 N 3.25 3.91 0.10 1.34 1.01 -0.45 -3.87 120.40 125.69 1ieh s VAL 113 Ca 0.37 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.99 1ieh s VAL 113 Cb -0.13 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1ieh s VAL 113 CO 0.15 0.27 -0.20 -0.89 0.00 0.00 0.00 175.10 174.43 1ieh s THR 114 N 1.53 2.71 -0.05 3.92 2.01 -0.97 -0.27 115.64 124.54 1ieh s THR 114 Ca 0.05 -1.47 0.03 0.00 0.31 0.00 0.00 61.69 60.61 1ieh s THR 114 Cb -0.16 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.15 1ieh s THR 114 CO 0.01 0.16 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.28 1ieh s VAL 115 N -1.07 1.18 -0.18 3.82 1.01 -1.26 -2.25 120.40 121.65 1ieh s VAL 115 Ca 0.16 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 1ieh s VAL 115 Cb -0.10 -1.04 0.06 0.00 0.00 0.00 0.00 36.38 35.29 1ieh s VAL 115 CO 0.08 0.36 0.46 -0.55 0.00 0.00 0.00 175.10 175.44 1ieh s SER 116 N 0.32 -0.55 -0.32 3.32 0.15 0.02 -4.97 113.70 111.67 1ieh s SER 116 Ca -0.08 0.97 0.05 0.00 0.70 0.00 0.00 55.95 57.60 1ieh s SER 116 Cb -0.13 0.89 0.57 0.00 -1.71 0.00 0.00 66.02 65.65 1ieh s SER 116 CO 0.02 -0.19 1.68 -0.24 1.20 0.00 0.00 173.24 175.71 1ieh n SER 117 N 3.80 3.94 -1.38 5.45 2.88 -1.26 -3.86 113.62 123.18 1ieh n SER 117 Ca -0.20 -3.15 0.18 0.00 -1.33 0.00 0.00 58.87 54.37 1ieh n SER 117 Cb 0.56 -0.74 -0.04 0.00 -0.75 0.00 0.00 64.21 63.24 1ieh n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ieh n GLN 118 N -0.47 -2.59 -3.20 -1.46 6.02 -1.26 -4.55 117.38 109.86 1ieh n GLN 118 Ca 0.41 1.71 -0.45 0.00 -0.01 0.00 0.00 57.00 58.66 1ieh n GLN 118 Cb 1.33 -3.16 -0.05 0.00 1.02 0.00 0.00 30.24 29.38 1ieh n GLN 118 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ieh s SER 119 N -6.78 6.19 0.32 1.08 0.15 -1.26 -5.00 113.70 108.39 1ieh s SER 119 Ca 0.00 -1.53 -0.11 0.00 0.70 0.00 0.00 55.95 55.01 1ieh s SER 119 Cb 0.00 -2.26 0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1ieh s SER 119 CO 0.00 -0.98 0.60 -1.83 1.20 0.00 0.00 173.24 172.23 1ieh s GLU 120 N 2.22 1.90 0.02 5.44 -1.05 -1.26 -5.18 118.70 120.78 1ieh s GLU 120 Ca 0.08 -1.44 0.01 0.00 -0.15 0.00 0.00 54.97 53.47 1ieh s GLU 120 Cb -0.26 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 1ieh s GLU 120 CO 0.05 -0.83 -0.05 -1.14 0.95 0.00 0.00 175.26 174.25 1ieh s GLN 121 N -3.19 0.35 -0.15 -4.83 0.74 -1.26 -5.07 119.66 106.25 1ieh s GLN 121 Ca 0.22 -0.40 -0.21 0.00 0.05 0.00 0.00 55.36 55.01 1ieh s GLN 121 Cb -0.03 -0.20 -0.19 0.00 1.10 0.00 0.00 33.01 33.70 1ieh s GLN 121 CO 0.13 0.04 0.46 -0.22 -0.55 0.00 0.00 175.29 175.15 1ieh h LYS 122 N 5.33 0.00 -7.27 1.67 1.63 -2.04 -3.47 116.57 112.42 1ieh h LYS 122 Ca -0.30 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 58.98 1ieh h LYS 122 Cb 1.20 0.00 0.16 0.00 -0.60 0.00 0.00 32.23 33.00 1ieh h LYS 122 CO 0.46 0.78 0.28 -1.17 -3.45 0.00 0.00 179.45 176.35 1ieh s LEU 123 N -8.19 2.99 0.13 5.20 2.96 -1.26 -4.99 118.68 115.52 1ieh s LEU 123 Ca -0.18 2.06 -0.27 0.00 -0.22 0.00 0.00 54.13 55.53 1ieh s LEU 123 Cb -0.00 -4.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.07 1ieh s LEU 123 CO 0.53 -2.57 0.83 -0.51 -1.32 0.00 0.00 176.35 173.31 1ieh s ILE 124 N -2.67 4.45 -0.24 6.68 2.07 -1.26 -5.05 121.20 125.18 1ieh s ILE 124 Ca 0.65 1.81 -0.26 0.00 -1.41 0.00 0.00 60.65 61.44 1ieh s ILE 124 Cb -0.21 -4.19 0.10 0.00 0.13 0.00 0.00 42.46 38.28 1ieh s ILE 124 CO 0.55 0.44 0.88 -0.55 -1.91 0.00 0.00 174.94 174.36 1ieh s SER 125 N -0.64 -0.57 -1.53 4.50 0.15 -1.26 -4.93 113.70 109.42 1ieh s SER 125 Ca 0.39 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1ieh s SER 125 Cb -0.23 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1ieh s SER 125 CO 0.27 -0.25 0.00 -0.62 1.20 0.00 0.00 173.24 173.84 1ieh n GLU 126 N 2.09 -1.78 -0.01 5.44 -0.58 -1.26 -4.78 120.64 119.76 1ieh n GLU 126 Ca -0.13 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1ieh n GLU 126 Cb 0.56 -5.40 0.00 0.00 -0.57 0.00 0.00 31.44 26.03 1ieh n GLU 126 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ieh n GLU 127 N -2.68 1.81 -3.29 3.49 1.02 -1.26 -4.92 120.64 114.80 1ieh n GLU 127 Ca -0.19 -1.14 -0.16 0.00 -0.02 0.00 0.00 57.16 55.65 1ieh n GLU 127 Cb 0.62 -0.82 -0.07 0.00 -0.02 0.00 0.00 31.44 31.16 1ieh n GLU 127 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1ieh s ASP 128 N -0.67 0.78 0.00 1.62 1.47 -1.26 -5.04 116.67 113.57 1ieh s ASP 128 Ca 0.01 -1.80 0.00 0.00 1.18 0.00 0.00 52.55 51.94 1ieh s ASP 128 Cb 0.01 0.63 0.00 0.00 -0.34 0.00 0.00 42.92 43.21 1ieh s ASP 128 CO 0.00 -0.22 0.00 -0.11 0.68 0.00 0.00 175.17 175.52 1ieh n LEU 129 N 3.88 0.00 -3.64 2.11 -0.00 -1.26 -5.12 117.00 112.96 1ieh n LEU 129 Ca 0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.06 1ieh n LEU 129 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.82 1ieh n LEU 129 CO 0.07 0.00 0.34 0.21 -0.00 0.00 0.00 177.39 178.02 1ieh s ASN 130 N 1.00 -0.82 0.00 1.96 2.47 -1.26 -4.99 114.94 113.29 1ieh s ASN 130 Ca 0.00 1.42 0.00 0.00 0.42 0.00 0.00 52.86 54.70 1ieh s ASN 130 Cb 0.00 1.35 0.00 0.00 -1.45 0.00 0.00 41.25 41.15 1ieh s ASN 130 CO 0.00 -0.24 0.20 0.00 -3.72 0.00 0.00 177.10 173.34 1ieh n HIS 131 N 3.64 0.00 0.00 0.43 1.44 -1.26 -5.05 115.22 114.42 1ieh n HIS 131 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1ieh n HIS 131 Cb 0.57 0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.86 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 0.00 0.00 -1.11 -1.40 -0.00 -1.26 -5.05 115.22 106.40 1ieh n HIS 132 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ieh n HIS 132 Cb 0.33 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 1ieh n HIS 132 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1ieh n HIS 133 N -1.23 0.00 0.00 1.57 1.44 -1.26 -5.08 115.22 110.66 1ieh n HIS 133 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1ieh n HIS 133 Cb 0.00 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.12 1ieh n HIS 133 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1ieh n HIS 134 N 0.00 0.00 -0.58 -1.40 -0.00 -1.26 -5.20 115.22 106.78 1ieh n HIS 134 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ieh n HIS 134 Cb 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 1ieh n HIS 134 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52