#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieh s VAL 2 N 0.00 2.10 -0.03 2.53 1.01 -1.26 -4.97 120.40 119.78 1ieh s VAL 2 Ca 0.00 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 60.89 1ieh s VAL 2 Cb 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1ieh s VAL 2 CO 0.00 0.36 -0.25 -1.58 0.00 0.00 0.00 175.10 173.62 1ieh s GLN 3 N 1.23 2.20 0.28 2.72 -0.44 -1.26 -4.94 119.66 119.45 1ieh s GLN 3 Ca 0.01 -0.91 0.05 0.00 -2.50 0.00 0.00 55.36 52.01 1ieh s GLN 3 Cb -0.15 -2.04 -0.06 0.00 -1.64 0.00 0.00 33.01 29.12 1ieh s GLN 3 CO -0.10 0.50 -0.02 -0.51 0.50 0.00 0.00 175.29 175.65 1ieh s LEU 4 N -0.47 2.37 -0.03 3.68 1.43 -1.23 -3.36 118.68 121.07 1ieh s LEU 4 Ca 0.06 -1.24 0.02 0.00 -1.03 0.00 0.00 54.13 51.94 1ieh s LEU 4 Cb -0.11 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.61 1ieh s LEU 4 CO 0.00 -0.44 -0.06 -1.58 0.23 0.00 0.00 176.35 174.51 1ieh s GLN 5 N -3.79 0.75 0.13 1.70 -0.44 -0.82 -3.13 119.66 114.07 1ieh s GLN 5 Ca 0.31 -0.18 0.10 0.00 -2.50 0.00 0.00 55.36 53.09 1ieh s GLN 5 Cb 0.05 -0.74 -0.04 0.00 -1.64 0.00 0.00 33.01 30.65 1ieh s GLN 5 CO 0.12 0.02 -0.25 0.00 0.50 0.00 0.00 175.29 175.68 1ieh s ALA 6 N 0.46 2.23 0.09 1.58 0.00 -1.26 -0.12 121.76 124.73 1ieh s ALA 6 Ca -0.06 -1.43 -0.20 0.00 0.00 0.00 0.00 51.96 50.27 1ieh s ALA 6 Cb -0.10 -0.33 0.07 0.00 0.00 0.00 0.00 23.12 22.76 1ieh s ALA 6 CO 0.00 0.47 0.94 0.43 0.00 0.00 0.00 175.76 177.60 1ieh n SER 7 N 0.87 -1.27 0.00 0.00 7.64 -0.61 -3.53 113.62 116.73 1ieh n SER 7 Ca -0.18 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.16 1ieh n SER 7 Cb 0.54 2.03 0.00 0.00 -1.01 0.00 0.00 64.21 65.77 1ieh n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ieh n GLY 8 N -0.67 1.15 3.77 0.23 0.00 -1.26 -2.28 105.19 106.13 1ieh n GLY 8 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1ieh n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ieh s GLY 9 N -1.94 2.93 0.16 -0.02 0.00 -1.26 -4.58 107.32 102.61 1ieh s GLY 9 Ca 0.00 1.30 0.03 0.00 0.00 0.00 0.00 44.72 46.05 1ieh s GLY 9 CO 0.00 1.90 0.15 0.61 0.00 0.00 0.00 173.10 175.75 1ieh n GLY 10 N 0.65 3.40 3.27 0.20 0.00 -1.24 -4.85 105.19 106.61 1ieh n GLY 10 Ca 0.03 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 3.93 0.00 0.99 2.01 -1.26 -2.30 118.68 122.05 1ieh s LEU 11 Ca 0.18 -0.97 0.01 0.00 0.01 0.00 0.00 54.13 53.36 1ieh s LEU 11 Cb 0.01 -1.82 0.01 0.00 0.01 0.00 0.00 46.19 44.40 1ieh s LEU 11 CO 0.13 -0.24 0.09 1.33 1.01 0.00 0.00 176.35 178.67 1ieh n VAL 12 N 4.78 0.00 -4.31 -1.59 0.24 -0.92 -4.97 118.33 111.56 1ieh n VAL 12 Ca -0.14 -2.11 -0.27 0.00 -2.04 0.00 0.00 64.34 59.78 1ieh n VAL 12 Cb 0.46 0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 33.03 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 -3.75 1.96 -0.87 7.34 -0.21 -1.25 -0.84 119.66 122.04 1ieh s GLN 13 Ca 0.07 -1.30 -0.19 0.00 0.02 0.00 0.00 55.36 53.96 1ieh s GLN 13 Cb -0.01 -2.11 -0.22 0.00 1.00 0.00 0.00 33.01 31.67 1ieh s GLN 13 CO 0.04 0.43 2.32 -2.30 -2.12 0.00 0.00 175.29 173.67 1ieh n PRO 14 N 0.14 0.34 0.00 2.91 -0.02 -1.26 -0.22 135.00 136.90 1ieh n PRO 14 Ca -0.11 -0.48 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 1ieh n PRO 14 Cb 0.55 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 6.27 1.69 0.00 -1.23 0.00 -1.25 -4.83 105.19 105.85 1ieh n GLY 15 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1ieh n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieh n GLY 16 N 0.00 1.40 3.64 -0.02 0.00 0.70 -4.66 105.19 106.25 1ieh n GLY 16 Ca 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.84 -0.05 1.61 1.04 -1.25 -3.98 113.70 109.24 1ieh s SER 17 Ca 0.00 1.36 0.03 0.00 0.48 0.00 0.00 55.95 57.81 1ieh s SER 17 Cb 0.00 1.35 0.01 0.00 0.10 0.00 0.00 66.02 67.48 1ieh s SER 17 CO 0.00 -0.22 -0.12 -0.22 0.98 0.00 0.00 173.24 173.66 1ieh s LEU 18 N 1.46 1.71 -0.43 2.42 0.20 -0.74 -4.95 118.68 118.35 1ieh s LEU 18 Ca -0.09 -0.28 -0.11 0.00 0.69 0.00 0.00 54.13 54.34 1ieh s LEU 18 Cb -0.05 -0.79 0.08 0.00 -0.43 0.00 0.00 46.19 45.00 1ieh s LEU 18 CO -0.17 0.06 0.30 -0.60 -0.29 0.00 0.00 176.35 175.65 1ieh s ARG 19 N 0.47 2.71 0.15 1.98 3.52 -1.26 -0.83 118.95 125.69 1ieh s ARG 19 Ca -0.10 -1.43 0.06 0.00 -0.13 0.00 0.00 55.73 54.13 1ieh s ARG 19 Cb -0.14 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.33 1ieh s ARG 19 CO 0.03 -0.97 0.06 0.14 -0.81 0.00 0.00 175.30 173.74 1ieh s VAL 20 N 1.49 4.16 0.14 7.11 -7.23 -0.94 -4.84 120.40 120.29 1ieh s VAL 20 Ca 0.03 -1.15 -0.04 0.00 -1.81 0.00 0.00 61.98 59.01 1ieh s VAL 20 Cb -0.23 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 1ieh s VAL 20 CO 0.03 -0.05 0.14 -0.94 -0.31 0.00 0.00 175.10 173.98 1ieh s SER 21 N -2.85 0.21 -0.18 4.85 1.04 -0.97 -1.15 113.70 114.64 1ieh s SER 21 Ca 0.29 -1.07 -0.04 0.00 0.48 0.00 0.00 55.95 55.61 1ieh s SER 21 Cb -0.10 0.35 0.08 0.00 0.10 0.00 0.00 66.02 66.45 1ieh s SER 21 CO 0.21 -0.79 0.20 0.00 0.98 0.00 0.00 173.24 173.84 1ieh s ALA 23 N 2.30 3.24 0.59 0.00 0.00 0.82 -0.82 121.76 127.89 1ieh s ALA 23 Ca 0.06 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1ieh s ALA 23 Cb -0.15 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.38 1ieh s ALA 23 CO -0.11 -2.06 0.84 0.00 0.00 0.00 0.00 175.76 174.44 1ieh s ALA 24 N 3.70 3.67 -0.28 0.00 0.00 -1.18 -1.94 121.76 125.73 1ieh s ALA 24 Ca 0.36 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1ieh s ALA 24 Cb -0.10 -2.24 0.18 0.00 0.00 0.00 0.00 23.12 20.95 1ieh s ALA 24 CO 0.26 -0.90 0.53 -1.12 0.00 0.00 0.00 175.76 174.53 1ieh s SER 25 N -4.45 -0.91 0.00 0.00 0.01 -1.21 -4.83 113.70 102.31 1ieh s SER 25 Ca 0.58 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1ieh s SER 25 Cb -0.10 1.81 0.00 0.00 0.21 0.00 0.00 66.02 67.94 1ieh s SER 25 CO 0.40 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1ieh n GLY 26 N 5.41 0.48 0.00 3.44 0.00 -1.26 -4.07 105.19 109.18 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 -0.43 -4.70 1.61 1.16 -1.26 -5.07 117.46 108.78 1ieh n PHE 27 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.27 1ieh n PHE 27 Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 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 -2.50 2.94 0.13 1.97 2.01 -1.26 -4.93 115.64 114.00 1ieh s THR 28 Ca 0.00 -1.04 -0.12 0.00 0.31 0.00 0.00 61.69 60.84 1ieh s THR 28 Cb 0.00 -2.22 -0.07 0.00 0.01 0.00 0.00 72.50 70.22 1ieh s THR 28 CO 0.00 0.40 1.44 -0.26 -0.69 0.00 0.00 174.62 175.51 1ieh h PHE 29 N 4.71 1.06 0.00 4.92 -1.00 -1.84 -1.07 116.94 123.73 1ieh h PHE 29 Ca -0.47 -0.34 0.00 0.00 2.81 0.00 0.00 57.97 59.97 1ieh h PHE 29 Cb 1.15 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.50 1ieh h PHE 29 CO 0.53 1.15 0.00 -1.13 -1.61 0.00 0.00 178.31 177.25 1ieh n SER 30 N -4.09 2.79 0.00 2.17 3.41 -1.26 -3.22 113.62 113.41 1ieh n SER 30 Ca -0.03 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 1ieh n SER 30 Cb 0.56 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1ieh n SER 30 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ieh n SER 31 N 0.57 0.00 -4.68 4.04 2.88 -1.15 -4.65 113.62 110.62 1ieh n SER 31 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1ieh n SER 31 Cb 0.46 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.84 1ieh n SER 31 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1ieh s TYR 32 N -1.00 2.87 0.01 0.66 1.51 -0.42 -4.91 117.35 116.07 1ieh s TYR 32 Ca 0.00 -0.13 -0.23 0.00 -1.01 0.00 0.00 57.07 55.70 1ieh s TYR 32 Cb 0.00 -1.37 -0.05 0.00 -0.11 0.00 0.00 41.96 40.42 1ieh s TYR 32 CO 0.00 0.53 0.68 -1.01 -1.11 0.00 0.00 175.55 174.63 1ieh s HIS 33 N -1.81 3.70 0.21 2.71 3.76 -1.26 -4.61 115.29 117.99 1ieh s HIS 33 Ca 0.28 1.32 0.02 0.00 -0.15 0.00 0.00 55.06 56.53 1ieh s HIS 33 Cb -0.09 -2.71 -0.05 0.00 1.11 0.00 0.00 32.58 30.84 1ieh s HIS 33 CO 0.19 0.30 0.03 -1.64 -0.85 0.00 0.00 174.74 172.77 1ieh s MET 34 N -0.05 1.27 0.20 1.40 -1.94 -1.24 -1.21 119.30 117.72 1ieh s MET 34 Ca 0.35 -1.64 -0.19 0.00 -1.71 0.00 0.00 55.69 52.50 1ieh s MET 34 Cb -0.19 -0.38 0.03 0.00 2.01 0.00 0.00 34.83 36.30 1ieh s MET 34 CO 0.20 -0.17 0.56 0.00 -0.01 0.00 0.00 175.02 175.60 1ieh s ALA 35 N -3.61 -1.06 -0.27 3.03 0.00 0.41 -2.14 121.76 118.13 1ieh s ALA 35 Ca 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 1ieh s ALA 35 Cb 0.06 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.07 1ieh s ALA 35 CO 0.08 -0.83 -0.03 -1.58 0.00 0.00 0.00 175.76 173.40 1ieh s TRP 36 N -3.87 3.12 0.35 0.00 0.52 0.48 -2.03 118.94 117.51 1ieh s TRP 36 Ca 0.09 -1.51 0.07 0.00 0.02 0.00 0.00 56.10 54.76 1ieh s TRP 36 Cb -0.02 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 30.18 1ieh s TRP 36 CO -0.03 -0.72 0.34 0.14 0.02 0.00 0.00 176.95 176.71 1ieh s VAL 37 N 1.34 3.53 0.02 4.03 -7.23 0.22 -0.17 120.40 122.13 1ieh s VAL 37 Ca -0.00 -1.29 -0.06 0.00 -1.81 0.00 0.00 61.98 58.81 1ieh s VAL 37 Cb -0.17 -3.20 -0.00 0.00 0.56 0.00 0.00 36.38 33.56 1ieh s VAL 37 CO -0.03 -0.15 0.12 -0.60 -0.31 0.00 0.00 175.10 174.13 1ieh s ARG 38 N -4.05 0.51 -0.23 4.82 3.52 0.27 -1.22 118.95 122.56 1ieh s ARG 38 Ca 0.43 -0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 55.46 1ieh s ARG 38 Cb -0.06 0.21 0.10 0.00 -1.56 0.00 0.00 34.95 33.63 1ieh s ARG 38 CO 0.28 -0.12 0.18 -1.14 -0.81 0.00 0.00 175.30 173.68 1ieh s GLN 39 N -1.80 0.18 0.90 5.12 0.74 0.10 0.01 119.66 124.92 1ieh s GLN 39 Ca -0.12 -0.12 -0.12 0.00 0.05 0.00 0.00 55.36 55.05 1ieh s GLN 39 Cb -0.06 -1.24 0.13 0.00 1.10 0.00 0.00 33.01 32.94 1ieh s GLN 39 CO -0.01 -0.82 1.12 0.00 -0.55 0.00 0.00 175.29 175.03 1ieh s ALA 40 N 2.23 1.76 -0.59 1.58 0.00 -1.26 -2.01 121.76 123.47 1ieh s ALA 40 Ca 0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 1ieh s ALA 40 Cb -0.16 -3.06 -0.18 0.00 0.00 0.00 0.00 23.12 19.73 1ieh s ALA 40 CO -0.22 -2.25 1.38 -2.30 0.00 0.00 0.00 175.76 172.37 1ieh n PRO 41 N -3.76 0.00 0.00 0.00 -0.02 -1.26 -2.76 135.00 127.21 1ieh n PRO 41 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1ieh n PRO 41 Cb 0.58 -0.69 0.00 0.00 -0.02 0.00 0.00 33.50 33.37 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 3.44 1.09 7.00 -1.23 0.00 -1.26 -5.03 105.19 109.21 1ieh n GLY 42 Ca 0.40 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.00 -1.26 1.61 4.81 -1.11 -4.62 118.16 117.59 1ieh n LYS 43 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1ieh n LYS 43 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 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 0.00 0.76 1.15 3.14 0.00 -1.26 -5.01 105.19 103.97 1ieh n GLY 44 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.26 -1.73 -3.79 0.99 7.94 -1.25 -5.04 117.00 114.37 1ieh n LEU 45 Ca -0.10 2.19 -0.13 0.00 -1.11 0.00 0.00 56.01 56.85 1ieh n LEU 45 Cb 0.93 -1.93 -0.14 0.00 0.53 0.00 0.00 43.42 42.81 1ieh n LEU 45 CO -0.09 0.10 -0.27 -0.70 -1.11 0.00 0.00 177.39 175.32 1ieh s GLU 46 N -4.53 0.07 -0.47 1.96 2.56 0.10 -4.92 118.70 113.48 1ieh s GLU 46 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 54.97 54.93 1ieh s GLU 46 Cb 0.00 -0.11 0.02 0.00 2.00 0.00 0.00 34.13 36.04 1ieh s GLU 46 CO 0.00 -0.11 1.32 -0.46 -0.56 0.00 0.00 175.26 175.45 1ieh s TRP 47 N 0.74 2.51 -0.13 5.30 -0.00 -1.26 -0.57 118.94 125.53 1ieh s TRP 47 Ca -0.06 0.63 -0.18 0.00 -0.00 0.00 0.00 56.10 56.50 1ieh s TRP 47 Cb -0.08 -4.38 -0.16 0.00 -0.00 0.00 0.00 33.47 28.85 1ieh s TRP 47 CO -0.03 -1.75 0.44 0.28 -0.00 0.00 0.00 176.95 175.88 1ieh h VAL 48 N 6.37 1.06 -3.87 5.86 2.07 -0.89 -3.35 116.25 123.51 1ieh h VAL 48 Ca -0.26 -1.83 -0.14 0.00 0.82 0.00 0.00 66.70 65.29 1ieh h VAL 48 Cb 1.09 2.04 -0.19 0.00 -1.52 0.00 0.00 31.29 32.71 1ieh h VAL 48 CO 1.12 0.36 -0.60 -0.44 0.02 0.00 0.00 177.57 178.03 1ieh s SER 49 N -6.01 0.21 -0.01 0.57 0.01 -1.00 -0.91 113.70 106.56 1ieh s SER 49 Ca -0.13 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1ieh s SER 49 Cb -0.01 0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1ieh s SER 49 CO 0.43 -0.43 0.00 0.28 0.41 0.00 0.00 173.24 173.93 1ieh s THR 50 N -2.19 0.10 -0.01 1.44 -1.32 0.32 -0.38 115.64 113.59 1ieh s THR 50 Ca -0.09 0.05 0.05 0.00 -1.21 0.00 0.00 61.69 60.49 1ieh s THR 50 Cb -0.04 -0.15 -0.03 0.00 -1.51 0.00 0.00 72.50 70.77 1ieh s THR 50 CO -0.03 0.08 -0.14 -0.51 -2.21 0.00 0.00 174.62 171.81 1ieh s ILE 51 N 0.55 3.09 -0.13 5.08 2.07 -0.91 -2.03 121.20 128.93 1ieh s ILE 51 Ca -0.05 -0.86 -0.03 0.00 -1.41 0.00 0.00 60.65 58.29 1ieh s ILE 51 Cb -0.08 -2.26 -0.03 0.00 0.13 0.00 0.00 42.46 40.22 1ieh s ILE 51 CO -0.01 0.48 -0.01 0.21 -1.91 0.00 0.00 174.94 173.71 1ieh s ASN 52 N -1.06 5.11 0.20 4.50 3.84 -1.11 -3.70 114.94 122.72 1ieh s ASN 52 Ca 0.13 0.02 -0.30 0.00 0.21 0.00 0.00 52.86 52.93 1ieh s ASN 52 Cb -0.11 -1.67 -0.08 0.00 -0.55 0.00 0.00 41.25 38.84 1ieh s ASN 52 CO 0.03 0.26 1.02 -2.16 -2.79 0.00 0.00 177.10 173.46 1ieh s PRO 53 N -0.17 4.71 0.00 0.43 0.04 -1.26 -3.77 135.00 134.97 1ieh s PRO 53 Ca 0.05 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1ieh s PRO 53 Cb -0.13 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1ieh s PRO 53 CO 0.02 0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.74 1ieh n GLY 54 N 1.78 1.15 0.35 0.56 0.00 -1.26 -4.70 105.19 103.07 1ieh n GLY 54 Ca 0.01 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.80 0.00 1.61 5.19 -2.02 -3.48 116.42 116.93 1ieh h ASP 55 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1ieh h ASP 55 Cb 0.00 0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1ieh h ASP 55 CO 0.00 -0.52 0.00 0.61 -3.12 0.00 0.00 179.24 176.21 1ieh n GLY 56 N -1.43 -0.13 3.54 2.75 0.00 -1.25 -5.09 105.19 103.59 1ieh n GLY 56 Ca -0.11 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.40 1ieh n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ieh n SER 57 N 0.00 2.48 -4.67 1.61 7.64 -1.26 -4.69 113.62 114.73 1ieh n SER 57 Ca 0.00 0.63 -0.32 0.00 1.01 0.00 0.00 58.87 60.18 1ieh n SER 57 Cb 0.00 -1.27 -0.09 0.00 -1.01 0.00 0.00 64.21 61.84 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 6.08 4.10 -0.00 0.44 -4.23 -1.26 -2.75 115.64 118.01 1ieh s THR 58 Ca 1.04 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1ieh s THR 58 Cb -0.84 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.16 1ieh s THR 58 CO 0.52 0.36 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.58 1ieh s TYR 59 N -1.09 0.63 0.35 3.99 1.51 -0.86 -5.03 117.35 116.85 1ieh s TYR 59 Ca 0.20 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 1ieh s TYR 59 Cb -0.11 -0.40 -0.05 0.00 -0.11 0.00 0.00 41.96 41.28 1ieh s TYR 59 CO 0.10 -0.01 0.08 0.71 -1.11 0.00 0.00 175.55 175.32 1ieh s TYR 60 N -0.26 1.89 -1.34 2.71 1.51 -1.26 -0.52 117.35 120.08 1ieh s TYR 60 Ca 0.02 -1.06 0.00 0.00 -1.01 0.00 0.00 57.07 55.02 1ieh s TYR 60 Cb -0.03 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 1ieh s TYR 60 CO -0.00 -0.08 0.55 0.00 -1.11 0.00 0.00 175.55 174.90 1ieh n ALA 61 N -0.75 2.26 0.00 3.71 0.00 -0.09 -4.86 120.51 120.77 1ieh n ALA 61 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 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 -0.11 0.00 -0.35 0.00 2.03 -1.26 -4.44 116.55 112.42 1ieh n ASP 62 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ieh n ASP 62 Cb 0.13 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 1ieh n ASP 62 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ieh n SER 63 N 2.83 0.69 0.00 1.67 2.88 -1.26 -2.99 113.62 117.43 1ieh n SER 63 Ca 0.00 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.56 1ieh n SER 63 Cb 0.00 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1ieh n SER 63 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ieh n VAL 64 N -0.15 0.00 -0.30 2.46 0.24 -1.26 -4.79 118.33 114.53 1ieh n VAL 64 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 1ieh n VAL 64 Cb 0.17 1.38 0.15 0.00 -1.47 0.00 0.00 33.84 34.07 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 0.87 -0.40 7.34 1.63 -1.82 -1.12 116.57 123.06 1ieh h LYS 65 Ca 0.00 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1ieh h LYS 65 Cb 0.57 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1ieh h LYS 65 CO 0.00 0.58 0.02 0.41 -3.45 0.00 0.00 179.45 177.01 1ieh n GLY 66 N -1.32 3.76 0.67 5.01 0.00 -1.26 -4.61 105.19 107.43 1ieh n GLY 66 Ca 0.13 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.19 0.15 -4.06 1.61 3.00 -0.53 -4.96 116.66 111.69 1ieh n ARG 67 Ca 0.26 0.06 -0.25 0.00 -0.00 0.00 0.00 57.85 57.92 1ieh n ARG 67 Cb 1.04 -0.69 -0.05 0.00 0.00 0.00 0.00 32.46 32.77 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 -2.01 3.22 -0.19 -0.14 0.08 -0.58 -3.14 117.98 115.23 1ieh s PHE 68 Ca -0.08 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 56.97 1ieh s PHE 68 Cb 0.01 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1ieh s PHE 68 CO 0.12 0.52 -0.17 0.99 -0.10 0.00 0.00 175.22 176.58 1ieh s THR 69 N -1.82 1.93 -0.30 0.64 2.01 -0.73 -4.74 115.64 112.65 1ieh s THR 69 Ca 0.32 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 1ieh s THR 69 Cb -0.10 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1ieh s THR 69 CO 0.25 0.40 0.19 -0.51 -0.69 0.00 0.00 174.62 174.27 1ieh s ILE 70 N 1.31 5.18 0.15 1.82 2.07 -1.26 -0.95 121.20 129.53 1ieh s ILE 70 Ca 0.02 -0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.21 1ieh s ILE 70 Cb -0.14 -3.53 -0.02 0.00 0.13 0.00 0.00 42.46 38.89 1ieh s ILE 70 CO -0.11 0.17 0.17 -0.44 -1.91 0.00 0.00 174.94 172.82 1ieh s SER 71 N 1.73 0.18 0.26 4.50 0.01 -0.58 -4.90 113.70 114.89 1ieh s SER 71 Ca 0.07 -1.04 -0.22 0.00 1.31 0.00 0.00 55.95 56.06 1ieh s SER 71 Cb -0.16 0.37 0.03 0.00 0.21 0.00 0.00 66.02 66.46 1ieh s SER 71 CO 0.10 -0.81 0.78 0.00 0.41 0.00 0.00 173.24 173.72 1ieh s ARG 72 N -4.01 1.67 -0.12 12.44 1.04 -1.26 -0.65 118.95 128.06 1ieh s ARG 72 Ca 0.21 -0.93 -0.07 0.00 -1.04 0.00 0.00 55.73 53.90 1ieh s ARG 72 Cb 0.05 0.56 -0.04 0.00 -2.04 0.00 0.00 34.95 33.49 1ieh s ARG 72 CO 0.01 -0.77 0.13 0.34 -0.04 0.00 0.00 175.30 174.97 1ieh s ASP 73 N -2.93 6.30 0.00 -2.89 2.15 -1.24 -4.98 116.67 113.08 1ieh s ASP 73 Ca 0.12 0.44 0.22 0.00 0.43 0.00 0.00 52.55 53.76 1ieh s ASP 73 Cb -0.05 -2.03 1.31 0.00 -0.30 0.00 0.00 42.92 41.86 1ieh s ASP 73 CO 0.06 0.41 1.77 0.59 -0.17 0.00 0.00 175.17 177.83 1ieh n ASN 74 N 2.01 0.00 -2.74 -0.34 4.13 -1.26 -4.08 115.26 112.98 1ieh n ASN 74 Ca -0.20 -1.08 -0.08 0.00 1.68 0.00 0.00 54.58 54.90 1ieh n ASN 74 Cb 0.55 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.84 1ieh n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ieh n ALA 75 N -0.89 -1.73 -0.23 5.41 0.00 -1.26 -4.61 120.51 117.20 1ieh n ALA 75 Ca 0.16 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1ieh n ALA 75 Cb 0.08 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1ieh n ALA 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ieh n LYS 76 N 1.59 0.00 -3.20 0.00 4.81 -1.26 -5.06 118.16 115.04 1ieh n LYS 76 Ca 0.08 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.44 1ieh n LYS 76 Cb 0.64 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.71 1ieh n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ieh n ASN 77 N 0.00 -7.14 -3.55 3.14 5.03 -1.26 -4.96 115.26 106.51 1ieh n ASN 77 Ca 0.00 -0.36 -0.17 0.00 0.87 0.00 0.00 54.58 54.92 1ieh n ASN 77 Cb 0.00 -4.89 -0.06 0.00 -1.02 0.00 0.00 39.78 33.81 1ieh n ASN 77 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1ieh s THR 78 N -3.13 0.00 -0.22 3.41 -4.23 -1.26 -3.08 115.64 107.14 1ieh s THR 78 Ca 0.14 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 1ieh s THR 78 Cb -0.03 -0.98 0.04 0.00 1.34 0.00 0.00 72.50 72.88 1ieh s THR 78 CO 0.77 -0.01 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.48 1ieh s LEU 79 N -0.93 2.66 0.19 4.79 2.96 -0.00 -3.64 118.68 124.72 1ieh s LEU 79 Ca -0.09 -1.01 0.05 0.00 -0.22 0.00 0.00 54.13 52.86 1ieh s LEU 79 Cb -0.01 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1ieh s LEU 79 CO 0.08 -0.12 0.18 -0.31 -1.32 0.00 0.00 176.35 174.85 1ieh s TYR 80 N 1.26 3.18 -0.12 5.38 1.51 0.17 -0.33 117.35 128.41 1ieh s TYR 80 Ca -0.02 -0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 55.90 1ieh s TYR 80 Cb -0.17 -1.49 0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1ieh s TYR 80 CO -0.08 0.52 0.31 -1.17 -1.11 0.00 0.00 175.55 174.01 1ieh s LEU 81 N -3.37 0.80 -0.28 -1.29 2.96 -0.30 -1.53 118.68 115.67 1ieh s LEU 81 Ca 0.32 0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 54.75 1ieh s LEU 81 Cb -0.09 1.04 -0.03 0.00 0.50 0.00 0.00 46.19 47.61 1ieh s LEU 81 CO 0.24 -0.11 0.13 -1.58 -1.32 0.00 0.00 176.35 173.72 1ieh s GLN 82 N 0.22 3.60 -0.81 1.98 2.00 -0.12 -2.21 119.66 124.32 1ieh s GLN 82 Ca -0.00 -0.54 -0.17 0.00 -2.00 0.00 0.00 55.36 52.65 1ieh s GLN 82 Cb -0.03 -3.51 0.16 0.00 0.80 0.00 0.00 33.01 30.44 1ieh s GLN 82 CO -0.00 -0.28 0.87 -1.64 -0.50 0.00 0.00 175.29 173.74 1ieh s MET 83 N 1.65 3.48 0.31 1.67 -1.94 -0.01 -1.77 119.30 122.70 1ieh s MET 83 Ca 0.06 -1.99 0.10 0.00 -1.71 0.00 0.00 55.69 52.15 1ieh s MET 83 Cb -0.16 -4.56 -0.05 0.00 2.01 0.00 0.00 34.83 32.07 1ieh s MET 83 CO 0.07 -1.50 -0.05 0.54 -0.01 0.00 0.00 175.02 174.06 1ieh s ASN 84 N 2.98 4.08 -1.19 3.03 2.20 -1.19 -1.79 114.94 123.07 1ieh s ASN 84 Ca 0.21 -0.95 -0.06 0.00 -0.94 0.00 0.00 52.86 51.12 1ieh s ASN 84 Cb -0.12 -0.52 -0.02 0.00 -2.00 0.00 0.00 41.25 38.59 1ieh s ASN 84 CO -0.06 -0.13 0.81 -1.20 -2.94 0.00 0.00 177.10 173.58 1ieh n SER 85 N -0.86 -3.50 -4.73 3.54 7.64 -1.26 -4.62 113.62 109.84 1ieh n SER 85 Ca -0.05 -0.81 -0.31 0.00 1.01 0.00 0.00 58.87 58.72 1ieh n SER 85 Cb 0.61 -4.35 0.12 0.00 -1.01 0.00 0.00 64.21 59.59 1ieh n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ieh s LEU 86 N -6.27 2.86 -0.35 -3.43 2.01 -1.26 -4.84 118.68 107.40 1ieh s LEU 86 Ca 0.21 1.92 0.09 0.00 0.01 0.00 0.00 54.13 56.37 1ieh s LEU 86 Cb -0.05 -4.47 0.35 0.00 0.01 0.00 0.00 46.19 42.03 1ieh s LEU 86 CO 0.79 -2.51 1.37 2.29 1.01 0.00 0.00 176.35 179.30 1ieh n LYS 87 N -3.83 1.13 -0.99 1.70 2.85 -1.26 -3.82 118.16 113.94 1ieh n LYS 87 Ca 0.10 -1.42 0.00 0.00 -1.05 0.00 0.00 58.31 55.93 1ieh n LYS 87 Cb 0.53 0.14 0.00 0.00 -0.65 0.00 0.00 35.03 35.05 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 -0.92 -5.59 -0.13 -5.58 7.64 -1.26 -4.75 113.62 103.04 1ieh n SER 88 Ca -0.10 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.58 1ieh n SER 88 Cb 0.83 -3.23 -0.12 0.00 -1.01 0.00 0.00 64.21 60.68 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 0.60 0.65 0.29 1.43 4.07 -1.26 -4.28 120.64 122.12 1ieh n GLU 89 Ca 0.00 0.17 0.18 0.00 -0.06 0.00 0.00 57.16 57.45 1ieh n GLU 89 Cb 0.45 -1.53 0.96 0.00 -0.06 0.00 0.00 31.44 31.26 1ieh n GLU 89 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1ieh h ASP 90 N -0.14 0.00 -1.06 4.31 3.58 -1.96 -3.40 116.42 117.75 1ieh h ASP 90 Ca -0.59 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 56.60 1ieh h ASP 90 Cb 1.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.92 1ieh h ASP 90 CO -0.13 0.00 0.92 -0.89 -2.88 0.00 0.00 179.24 176.26 1ieh s THR 91 N -4.48 3.01 0.00 2.25 2.01 -1.26 -4.73 115.64 112.44 1ieh s THR 91 Ca -0.05 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1ieh s THR 91 Cb 0.14 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.62 1ieh s THR 91 CO 0.49 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.39 1ieh n ALA 92 N 17.13 0.00 -3.23 7.40 0.00 0.46 -4.70 120.51 137.57 1ieh n ALA 92 Ca 0.41 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.51 1ieh n ALA 92 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.25 3.30 0.03 0.00 1.01 -0.85 -1.05 120.40 120.60 1ieh s VAL 93 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1ieh s VAL 93 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1ieh s VAL 93 CO 0.00 0.48 0.02 -0.31 0.00 0.00 0.00 175.10 175.29 1ieh s TYR 94 N 0.79 3.10 0.13 5.22 1.51 -0.91 0.02 117.35 127.20 1ieh s TYR 94 Ca -0.03 0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 1ieh s TYR 94 Cb -0.15 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1ieh s TYR 94 CO 0.01 0.49 0.04 0.71 -1.11 0.00 0.00 175.55 175.69 1ieh s TYR 95 N -1.20 0.87 -0.03 2.71 1.51 -0.36 -2.25 117.35 118.59 1ieh s TYR 95 Ca 0.23 -1.20 0.07 0.00 -1.01 0.00 0.00 57.07 55.16 1ieh s TYR 95 Cb -0.12 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1ieh s TYR 95 CO 0.15 -0.48 -0.24 0.00 -1.11 0.00 0.00 175.55 173.87 1ieh s ALA 97 N -0.43 -0.34 0.19 0.00 0.00 -0.86 -3.60 121.76 116.72 1ieh s ALA 97 Ca 0.05 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 1ieh s ALA 97 Cb -0.11 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.81 1ieh s ALA 97 CO 0.01 -0.72 0.62 0.21 0.00 0.00 0.00 175.76 175.88 1ieh s LYS 98 N -3.94 4.07 -0.08 0.00 2.20 -1.26 -0.44 119.74 120.30 1ieh s LYS 98 Ca 0.15 0.63 -0.22 0.00 -0.36 0.00 0.00 55.97 56.17 1ieh s LYS 98 Cb 0.02 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1ieh s LYS 98 CO -0.00 0.42 0.64 -0.47 -0.36 0.00 0.00 175.35 175.58 1ieh s TYR 99 N -1.53 3.56 -0.37 4.03 5.04 -0.35 -4.45 117.35 123.28 1ieh s TYR 99 Ca 0.41 1.16 0.12 0.00 -2.44 0.00 0.00 57.07 56.32 1ieh s TYR 99 Cb -0.15 -2.73 0.37 0.00 0.35 0.00 0.00 41.96 39.79 1ieh s TYR 99 CO 0.20 0.12 0.85 0.43 -1.34 0.00 0.00 175.55 175.80 1ieh n SER 100 N 3.72 0.40 0.00 4.32 7.64 -1.26 -4.72 113.62 123.73 1ieh n SER 100 Ca -0.03 -3.03 0.00 0.00 1.01 0.00 0.00 58.87 56.82 1ieh n SER 100 Cb 0.51 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.19 1.30 0.00 0.23 0.00 -1.26 -4.81 105.19 100.85 1ieh n GLY 101 Ca 0.18 -0.36 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 0.00 1.00 3.11 -0.02 0.00 -1.26 -5.14 105.19 102.88 1ieh n GLY 102 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.12 0.09 4.61 0.00 -1.26 -5.10 121.76 120.22 1ieh s ALA 103 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1ieh s ALA 103 Cb 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1ieh s ALA 103 CO 0.00 -0.35 0.29 -0.51 0.00 0.00 0.00 175.76 175.19 1ieh s LEU 104 N -2.44 4.32 -0.17 0.00 1.43 -1.26 -4.23 118.68 116.33 1ieh s LEU 104 Ca -0.00 0.44 0.13 0.00 -1.03 0.00 0.00 54.13 53.67 1ieh s LEU 104 Cb 0.02 -3.10 -0.23 0.00 0.03 0.00 0.00 46.19 42.91 1ieh s LEU 104 CO -0.07 0.12 0.17 0.47 0.23 0.00 0.00 176.35 177.27 1ieh n ASP 105 N 0.27 0.60 -2.08 2.29 9.92 -1.26 -5.08 116.55 121.21 1ieh n ASP 105 Ca -0.04 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1ieh n ASP 105 Cb 0.51 0.46 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 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 -2.80 -2.17 -0.33 2.24 0.00 -1.26 -4.99 120.51 111.20 1ieh n ALA 106 Ca -0.31 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ieh n ALA 106 Cb 1.11 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 1.56 0.00 -1.11 0.00 8.01 -1.24 -5.03 117.44 119.63 1ieh n TRP 107 Ca 0.00 -0.15 -0.29 0.00 -1.31 0.00 0.00 57.50 55.75 1ieh n TRP 107 Cb 0.00 -0.01 0.22 0.00 -2.01 0.00 0.00 31.31 29.50 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 -0.30 1.57 -0.09 6.99 0.00 -1.18 -3.49 107.32 110.82 1ieh s GLY 108 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 43.83 1ieh s GLY 108 CO 0.00 0.06 0.55 1.46 0.00 0.00 0.00 173.10 175.17 1ieh h GLN 109 N -2.32 -0.09 0.00 2.90 1.08 -1.75 -3.45 115.11 111.48 1ieh h GLN 109 Ca -0.49 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1ieh h GLN 109 Cb 1.31 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 1ieh h GLN 109 CO 0.44 0.37 0.00 0.41 -0.95 0.00 0.00 178.83 179.10 1ieh n GLY 110 N 1.28 2.05 3.66 3.46 0.00 -1.23 -4.94 105.19 109.47 1ieh n GLY 110 Ca -0.06 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 4.91 -0.64 2.61 -1.32 -0.95 -4.86 115.64 115.38 1ieh s THR 111 Ca 0.00 1.48 -0.25 0.00 -1.21 0.00 0.00 61.69 61.71 1ieh s THR 111 Cb 0.00 -4.07 0.05 0.00 -1.51 0.00 0.00 72.50 66.96 1ieh s THR 111 CO 0.00 0.02 1.07 -1.58 -2.21 0.00 0.00 174.62 171.92 1ieh s GLN 112 N 2.30 3.25 -0.17 7.08 2.00 -1.26 -2.14 119.66 130.73 1ieh s GLN 112 Ca 0.34 -0.37 -0.04 0.00 -2.00 0.00 0.00 55.36 53.29 1ieh s GLN 112 Cb -0.16 -4.13 -0.03 0.00 0.80 0.00 0.00 33.01 29.49 1ieh s GLN 112 CO 0.10 -1.78 -0.02 0.08 -0.50 0.00 0.00 175.29 173.17 1ieh s VAL 113 N 4.57 3.99 0.05 1.34 1.01 -0.21 -3.71 120.40 127.44 1ieh s VAL 113 Ca 0.31 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1ieh s VAL 113 Cb -0.12 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1ieh s VAL 113 CO 0.16 0.48 -0.08 -0.89 0.00 0.00 0.00 175.10 174.77 1ieh s THR 114 N 0.50 0.58 -0.09 3.92 2.01 -0.97 -0.40 115.64 121.18 1ieh s THR 114 Ca -0.02 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 60.85 1ieh s THR 114 Cb -0.14 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.67 1ieh s THR 114 CO 0.02 -0.41 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.68 1ieh s VAL 115 N -1.55 1.54 0.23 3.82 1.01 -1.26 -2.16 120.40 122.02 1ieh s VAL 115 Ca -0.08 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1ieh s VAL 115 Cb -0.09 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1ieh s VAL 115 CO 0.00 0.45 0.24 -0.24 0.00 0.00 0.00 175.10 175.55 1ieh n SER 116 N 3.85 -0.65 -4.14 3.32 2.88 -0.02 -4.90 113.62 113.96 1ieh n SER 116 Ca -0.21 -2.42 -0.21 0.00 -1.33 0.00 0.00 58.87 54.70 1ieh n SER 116 Cb 0.52 1.36 -0.14 0.00 -0.75 0.00 0.00 64.21 65.20 1ieh n SER 116 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ieh s SER 117 N -2.55 1.73 -1.16 -3.46 0.01 -1.26 -3.95 113.70 103.07 1ieh s SER 117 Ca 0.24 -0.40 -0.07 0.00 1.31 0.00 0.00 55.95 57.03 1ieh s SER 117 Cb 0.01 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 1ieh s SER 117 CO 0.17 0.08 0.85 0.00 0.41 0.00 0.00 173.24 174.76 1ieh n GLN 118 N 2.14 -3.39 -2.61 12.44 1.13 -1.26 -4.95 117.38 120.88 1ieh n GLN 118 Ca -0.17 0.71 -0.19 0.00 -1.94 0.00 0.00 57.00 55.41 1ieh n GLN 118 Cb 0.55 -5.29 0.01 0.00 0.11 0.00 0.00 30.24 25.61 1ieh n GLN 118 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ieh n SER 119 N -3.05 3.19 -0.95 1.08 2.88 -1.26 -4.81 113.62 110.70 1ieh n SER 119 Ca -0.17 -3.27 0.08 0.00 -1.33 0.00 0.00 58.87 54.18 1ieh n SER 119 Cb 0.64 -0.50 0.23 0.00 -0.75 0.00 0.00 64.21 63.83 1ieh n SER 119 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ieh n GLU 120 N -0.26 2.20 -1.96 -1.46 1.02 -1.26 -4.95 120.64 113.97 1ieh n GLU 120 Ca 0.26 -1.86 -0.35 0.00 -0.02 0.00 0.00 57.16 55.19 1ieh n GLU 120 Cb 0.71 -1.41 0.03 0.00 -0.02 0.00 0.00 31.44 30.76 1ieh n GLU 120 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ieh s GLN 121 N -1.32 2.94 0.00 3.49 -0.21 -1.26 -4.91 119.66 118.39 1ieh s GLN 121 Ca 0.35 1.66 0.00 0.00 0.02 0.00 0.00 55.36 57.39 1ieh s GLN 121 Cb 0.18 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.25 1ieh s GLN 121 CO 0.24 -1.19 0.00 0.36 -2.12 0.00 0.00 175.29 172.58 1ieh n LYS 122 N -1.83 0.21 -2.10 2.91 2.85 -1.26 -5.13 118.16 113.81 1ieh n LYS 122 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1ieh n LYS 122 Cb 0.51 -0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 1ieh n LYS 122 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ieh n LEU 123 N 0.00 -5.88 0.09 -5.58 7.99 -1.26 -5.06 117.00 107.30 1ieh n LEU 123 Ca 0.00 2.49 0.00 0.00 -0.01 0.00 0.00 56.01 58.49 1ieh n LEU 123 Cb 0.00 -2.91 0.00 0.00 -0.11 0.00 0.00 43.42 40.40 1ieh n LEU 123 CO 0.00 -2.33 -0.03 0.00 -1.51 0.00 0.00 177.39 173.52 1ieh n ILE 124 N 1.57 0.47 -3.87 -0.08 0.13 -1.26 -5.04 119.36 111.27 1ieh n ILE 124 Ca 0.00 0.15 -0.28 0.00 -1.10 0.00 0.00 62.75 61.52 1ieh n ILE 124 Cb 0.00 -0.96 0.03 0.00 -0.84 0.00 0.00 39.64 37.86 1ieh n ILE 124 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1ieh n SER 125 N -3.40 -4.07 -0.26 9.51 7.64 -1.26 -4.77 113.62 117.01 1ieh n SER 125 Ca 0.00 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1ieh n SER 125 Cb 0.03 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 1ieh n SER 125 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ieh n GLU 126 N -4.61 0.00 -2.30 1.43 2.13 -1.26 -5.11 120.64 110.91 1ieh n GLU 126 Ca -0.03 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.78 1ieh n GLU 126 Cb 0.56 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.26 1ieh n GLU 126 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ieh n GLU 127 N 0.00 -4.89 0.18 5.31 2.13 -1.26 -4.86 120.64 117.25 1ieh n GLU 127 Ca 0.00 3.58 0.03 0.00 0.66 0.00 0.00 57.16 61.44 1ieh n GLU 127 Cb 0.38 -4.55 0.35 0.00 0.27 0.00 0.00 31.44 27.89 1ieh n GLU 127 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1ieh h ASP 128 N 4.03 0.00 0.00 4.31 3.04 -1.99 -3.48 116.42 122.33 1ieh h ASP 128 Ca -0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 1ieh h ASP 128 Cb 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.41 1ieh h ASP 128 CO 0.00 0.40 0.00 0.18 -2.04 0.00 0.00 179.24 177.78 1ieh n LEU 129 N -3.89 0.00 0.21 0.15 4.77 -1.26 -4.87 117.00 112.11 1ieh n LEU 129 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1ieh n LEU 129 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1ieh n LEU 129 CO 0.38 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.24 1ieh n ASN 130 N -2.17 -2.82 -0.88 -1.43 5.15 -1.26 -5.02 115.26 106.83 1ieh n ASN 130 Ca 0.00 0.77 -0.05 0.00 -0.60 0.00 0.00 54.58 54.70 1ieh n ASN 130 Cb 0.00 2.70 -0.05 0.00 -0.53 0.00 0.00 39.78 41.90 1ieh n ASN 130 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ieh n HIS 131 N -3.47 0.00 1.10 1.20 1.44 -1.26 -4.94 115.22 109.30 1ieh n HIS 131 Ca 0.00 -0.39 0.06 0.00 -2.01 0.00 0.00 57.72 55.38 1ieh n HIS 131 Cb 0.00 0.44 0.17 0.00 0.12 0.00 0.00 29.99 30.72 1ieh n HIS 131 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1ieh n HIS 132 N 0.00 0.36 -3.64 -1.40 8.25 -1.26 -4.80 115.22 112.73 1ieh n HIS 132 Ca -0.22 -0.18 -0.09 0.00 -0.26 0.00 0.00 57.72 56.97 1ieh n HIS 132 Cb 0.61 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.65 1ieh n HIS 132 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1ieh s HIS 133 N -1.64 -0.89 -0.06 4.41 3.76 -1.26 -5.04 115.29 114.58 1ieh s HIS 133 Ca 0.21 1.90 0.11 0.00 -0.15 0.00 0.00 55.06 57.14 1ieh s HIS 133 Cb 0.11 0.48 0.21 0.00 1.11 0.00 0.00 32.58 34.48 1ieh s HIS 133 CO 0.15 -0.44 1.10 -2.39 -0.85 0.00 0.00 174.74 172.31 1ieh n HIS 134 N 3.60 0.00 -0.38 1.40 1.44 -1.26 -5.04 115.22 114.98 1ieh n HIS 134 Ca -0.17 -0.53 0.00 0.00 -2.01 0.00 0.00 57.72 55.01 1ieh n HIS 134 Cb 0.57 -0.12 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1ieh n HIS 134 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11