#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ihj s GLU 13 N 0.00 3.02 -0.18 1.61 2.02 -1.26 -4.60 118.70 119.31 1ihj s GLU 13 Ca 0.00 -1.09 -0.23 0.00 0.02 0.00 0.00 54.97 53.67 1ihj s GLU 13 Cb 0.00 -2.77 0.06 0.00 0.10 0.00 0.00 34.13 31.52 1ihj s GLU 13 CO 0.00 0.01 0.60 -1.17 0.02 0.00 0.00 175.26 174.72 1ihj s LEU 14 N -4.18 -0.31 -0.22 1.80 2.96 -0.43 -4.97 118.68 113.34 1ihj s LEU 14 Ca 0.46 1.05 -0.08 0.00 -0.22 0.00 0.00 54.13 55.34 1ihj s LEU 14 Cb -0.09 2.12 -0.04 0.00 0.50 0.00 0.00 46.19 48.68 1ihj s LEU 14 CO 0.31 -0.31 0.10 -0.63 -1.32 0.00 0.00 176.35 174.50 1ihj s ILE 15 N -0.09 4.86 0.24 6.68 1.01 -1.26 -0.55 121.20 132.09 1ihj s ILE 15 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 1ihj s ILE 15 Cb -0.04 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1ihj s ILE 15 CO 0.03 0.39 0.23 -1.38 0.00 0.00 0.00 174.94 174.21 1ihj s HIS 16 N 0.89 1.17 -0.08 3.97 -3.43 0.69 -4.96 115.29 113.55 1ihj s HIS 16 Ca 0.05 -1.35 -0.00 0.00 -0.80 0.00 0.00 55.06 52.96 1ihj s HIS 16 Cb -0.13 -0.46 -0.03 0.00 -1.43 0.00 0.00 32.58 30.52 1ihj s HIS 16 CO 0.03 -0.77 -0.05 -1.64 -2.00 0.00 0.00 174.74 170.32 1ihj s MET 17 N -3.92 2.94 -0.06 -0.38 -1.94 -1.26 -0.13 119.30 114.55 1ihj s MET 17 Ca 0.37 -0.51 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 1ihj s MET 17 Cb 0.05 -2.69 0.02 0.00 2.01 0.00 0.00 34.83 34.22 1ihj s MET 17 CO 0.15 0.61 -0.03 0.08 -0.01 0.00 0.00 175.02 175.83 1ihj s VAL 18 N -0.66 0.48 -0.17 -6.03 1.01 0.23 -4.97 120.40 110.28 1ihj s VAL 18 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1ihj s VAL 18 Cb -0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1ihj s VAL 18 CO 0.02 0.24 0.00 -0.89 0.00 0.00 0.00 175.10 174.47 1ihj s THR 19 N 1.31 4.15 -0.05 3.92 2.01 -1.26 0.22 115.64 125.94 1ihj s THR 19 Ca -0.05 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.72 1ihj s THR 19 Cb -0.13 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1ihj s THR 19 CO -0.02 0.47 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.48 1ihj s LEU 20 N 0.54 2.76 -0.18 4.42 1.43 -0.43 -4.98 118.68 122.24 1ihj s LEU 20 Ca -0.01 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1ihj s LEU 20 Cb -0.14 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.55 1ihj s LEU 20 CO 0.02 0.34 -0.11 -0.62 0.23 0.00 0.00 176.35 176.21 1ihj s ASP 21 N -0.68 3.07 -0.10 2.29 -1.08 -1.26 -1.79 116.67 117.12 1ihj s ASP 21 Ca 0.10 -0.71 0.10 0.00 -0.52 0.00 0.00 52.55 51.52 1ihj s ASP 21 Cb -0.11 -1.18 0.48 0.00 -1.46 0.00 0.00 42.92 40.65 1ihj s ASP 21 CO 0.01 -0.12 1.30 2.29 0.52 0.00 0.00 175.17 179.17 1ihj n LYS 22 N 4.74 3.00 -1.68 4.34 2.85 0.05 -4.81 118.16 126.65 1ihj n LYS 22 Ca -0.15 -1.86 -0.49 0.00 -1.05 0.00 0.00 58.31 54.75 1ihj n LYS 22 Cb 0.48 -1.78 -0.05 0.00 -0.65 0.00 0.00 35.03 33.03 1ihj n LYS 22 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1ihj n THR 23 N 0.53 0.37 -0.78 0.58 -1.04 -1.26 -0.20 114.28 112.48 1ihj n THR 23 Ca 0.17 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1ihj n THR 23 Cb 0.70 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1ihj n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ihj n GLY 24 N 4.01 0.78 3.26 3.41 0.00 -1.26 -5.03 105.19 110.36 1ihj n GLY 24 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1ihj n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ihj s LYS 25 N -0.22 1.06 0.40 1.61 -0.14 0.72 -5.06 119.74 118.13 1ihj s LYS 25 Ca 0.00 -1.19 0.13 0.00 -1.36 0.00 0.00 55.97 53.55 1ihj s LYS 25 Cb 0.00 -1.12 0.84 0.00 -1.68 0.00 0.00 37.83 35.87 1ihj s LYS 25 CO 0.00 0.24 1.90 0.87 -0.76 0.00 0.00 175.35 177.60 1ihj h LYS 26 N 3.78 0.01 -2.84 1.68 1.79 -1.96 -3.47 116.57 115.55 1ihj h LYS 26 Ca -0.42 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.09 1ihj h LYS 26 Cb 1.19 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.82 1ihj h LYS 26 CO 0.45 0.29 0.36 -1.54 -1.08 0.00 0.00 179.45 177.94 1ihj s SER 27 N -6.96 -0.03 0.30 0.86 1.04 -1.26 -5.03 113.70 102.61 1ihj s SER 27 Ca -0.03 -0.93 0.14 0.00 0.48 0.00 0.00 55.95 55.60 1ihj s SER 27 Cb 0.15 0.73 0.39 0.00 0.10 0.00 0.00 66.02 67.39 1ihj s SER 27 CO 0.71 -1.44 1.60 -0.26 0.98 0.00 0.00 173.24 174.84 1ihj h PHE 28 N 2.00 0.00 0.00 5.02 -1.00 -1.93 -3.39 116.94 117.64 1ihj h PHE 28 Ca -0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.49 1ihj h PHE 28 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 1ihj h PHE 28 CO 1.22 0.55 0.00 0.41 -1.61 0.00 0.00 178.31 178.88 1ihj n GLY 29 N 0.49 1.10 3.33 -1.45 0.00 -1.26 -1.26 105.19 106.13 1ihj n GLY 29 Ca -0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1ihj n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ihj s ILE 30 N -2.00 2.18 -0.08 -0.61 -4.36 -1.26 -0.90 121.20 114.17 1ihj s ILE 30 Ca 0.00 -1.06 0.04 0.00 -0.26 0.00 0.00 60.65 59.37 1ihj s ILE 30 Cb 0.00 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.93 1ihj s ILE 30 CO 0.00 0.58 -0.21 0.00 0.24 0.00 0.00 174.94 175.55 1ihj s ILE 32 N -0.06 1.96 0.04 0.00 -4.36 -1.26 -0.14 121.20 117.38 1ihj s ILE 32 Ca -0.05 -2.20 -0.15 0.00 -0.26 0.00 0.00 60.65 57.99 1ihj s ILE 32 Cb -0.14 -2.44 0.02 0.00 1.25 0.00 0.00 42.46 41.15 1ihj s ILE 32 CO 0.04 -0.32 0.33 0.68 0.24 0.00 0.00 174.94 175.92 1ihj s VAL 33 N -2.81 0.07 0.19 8.37 -7.23 -0.51 -4.81 120.40 113.67 1ihj s VAL 33 Ca 0.30 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 1ihj s VAL 33 Cb 0.02 -0.93 -0.08 0.00 0.56 0.00 0.00 36.38 35.95 1ihj s VAL 33 CO 0.13 -0.34 0.97 -0.13 -0.31 0.00 0.00 175.10 175.42 1ihj s ARG 34 N -2.48 4.77 0.26 4.82 1.81 -1.26 -0.63 118.95 126.24 1ihj s ARG 34 Ca -0.05 1.51 -0.03 0.00 -1.72 0.00 0.00 55.73 55.44 1ihj s ARG 34 Cb -0.01 -3.31 0.01 0.00 -0.45 0.00 0.00 34.95 31.19 1ihj s ARG 34 CO -0.03 0.36 0.40 0.41 -0.68 0.00 0.00 175.30 175.76 1ihj n GLY 35 N 1.78 2.17 3.24 -3.53 0.00 0.62 -4.90 105.19 104.57 1ihj n GLY 35 Ca -0.00 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 1ihj n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ihj s GLU 36 N -2.49 0.59 0.03 1.61 -1.05 -1.26 -1.14 118.70 114.98 1ihj s GLU 36 Ca 0.20 0.02 0.02 0.00 -0.15 0.00 0.00 54.97 55.05 1ihj s GLU 36 Cb -0.01 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 1ihj s GLU 36 CO 0.14 -0.14 -0.07 0.14 0.95 0.00 0.00 175.26 176.28 1ihj s VAL 37 N -0.86 0.50 -0.50 1.83 -7.23 -0.43 -4.97 120.40 108.74 1ihj s VAL 37 Ca -0.09 -0.77 -0.24 0.00 -1.81 0.00 0.00 61.98 59.06 1ihj s VAL 37 Cb -0.04 -0.52 0.03 0.00 0.56 0.00 0.00 36.38 36.41 1ihj s VAL 37 CO 0.03 -0.20 0.88 -1.59 -0.31 0.00 0.00 175.10 173.91 1ihj s LYS 38 N -1.06 3.39 -0.59 4.82 -2.85 -1.26 -0.79 119.74 121.40 1ihj s LYS 38 Ca -0.06 -0.14 -0.19 0.00 -1.00 0.00 0.00 55.97 54.58 1ihj s LYS 38 Cb -0.07 -3.99 0.10 0.00 -2.06 0.00 0.00 37.83 31.81 1ihj s LYS 38 CO 0.00 -1.31 0.71 -0.51 0.10 0.00 0.00 175.35 174.34 1ihj s ASP 39 N 2.50 6.18 0.00 0.03 1.01 -0.99 -4.96 116.67 120.44 1ihj s ASP 39 Ca 0.31 -1.42 0.00 0.00 0.71 0.00 0.00 52.55 52.16 1ihj s ASP 39 Cb -0.12 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1ihj s ASP 39 CO 0.22 -1.12 0.00 -1.54 0.21 0.00 0.00 175.17 172.93 1ihj n SER 40 N 6.37 0.00 -0.09 0.27 3.41 -1.26 -4.10 113.62 118.22 1ihj n SER 40 Ca -0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.35 1ihj n SER 40 Cb 0.43 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 1ihj n SER 40 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ihj n PRO 41 N 0.00 0.44 -0.37 4.33 -0.04 -1.26 -5.01 135.00 133.08 1ihj n PRO 41 Ca 0.00 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1ihj n PRO 41 Cb 0.00 -1.29 0.20 0.00 -0.04 0.00 0.00 33.50 32.37 1ihj n PRO 41 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ihj n ASN 42 N -3.43 2.79 -4.01 3.54 3.02 -1.26 -5.04 115.26 110.87 1ihj n ASN 42 Ca -0.35 -3.28 -0.09 0.00 -0.03 0.00 0.00 54.58 50.83 1ihj n ASN 42 Cb 0.81 -0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 1ihj n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ihj s THR 43 N -2.97 0.14 0.08 3.41 -4.23 -1.26 -5.11 115.64 105.70 1ihj s THR 43 Ca 0.38 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 1ihj s THR 43 Cb 0.33 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 72.49 1ihj s THR 43 CO 0.03 -0.63 -0.09 -0.54 -0.54 0.00 0.00 174.62 172.85 1ihj s LYS 44 N -3.94 0.76 -0.02 3.99 1.02 -1.26 -2.34 119.74 117.95 1ihj s LYS 44 Ca 0.12 -1.07 0.06 0.00 0.02 0.00 0.00 55.97 55.11 1ihj s LYS 44 Cb 0.06 -0.44 -0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1ihj s LYS 44 CO -0.06 0.07 -0.22 0.99 -0.92 0.00 0.00 175.35 175.21 1ihj s THR 45 N -2.28 1.73 0.23 2.17 2.01 0.03 -4.83 115.64 114.69 1ihj s THR 45 Ca 0.02 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.16 1ihj s THR 45 Cb -0.04 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1ihj s THR 45 CO -0.00 0.49 0.13 0.42 -0.69 0.00 0.00 174.62 174.97 1ihj s THR 46 N -0.42 4.23 -1.10 -0.82 -4.23 -1.26 -1.31 115.64 110.72 1ihj s THR 46 Ca 0.06 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1ihj s THR 46 Cb -0.09 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1ihj s THR 46 CO -0.00 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1ihj n GLY 47 N -0.86 -1.36 3.65 3.99 0.00 -0.30 -4.87 105.19 105.44 1ihj n GLY 47 Ca -0.08 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1ihj n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ihj s ILE 48 N -2.60 5.24 0.14 -0.61 -1.09 -1.26 -0.27 121.20 120.75 1ihj s ILE 48 Ca 0.00 0.50 0.11 0.00 -2.23 0.00 0.00 60.65 59.03 1ihj s ILE 48 Cb 0.00 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1ihj s ILE 48 CO 0.00 0.26 -0.25 -0.36 -1.23 0.00 0.00 174.94 173.35 1ihj s PHE 49 N 1.44 2.33 -0.22 3.97 0.40 0.19 -0.71 117.98 125.39 1ihj s PHE 49 Ca 0.14 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.82 1ihj s PHE 49 Cb -0.15 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.15 1ihj s PHE 49 CO 0.08 0.38 1.10 0.42 0.70 0.00 0.00 175.22 177.89 1ihj s ILE 50 N -1.19 4.58 -0.08 0.64 1.01 0.02 -1.42 121.20 124.75 1ihj s ILE 50 Ca 0.16 1.91 0.19 0.00 0.00 0.00 0.00 60.65 62.91 1ihj s ILE 50 Cb -0.10 -4.23 -0.29 0.00 0.01 0.00 0.00 42.46 37.85 1ihj s ILE 50 CO 0.07 -0.17 0.32 1.17 0.00 0.00 0.00 174.94 176.33 1ihj n LYS 51 N 6.40 0.71 -3.54 2.79 4.81 0.80 -0.66 118.16 129.46 1ihj n LYS 51 Ca 0.12 -0.13 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1ihj n LYS 51 Cb 0.46 -1.49 -0.05 0.00 0.02 0.00 0.00 35.03 33.97 1ihj n LYS 51 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1ihj s GLY 52 N -4.69 -0.47 -0.06 3.14 0.00 -1.00 -4.89 107.32 99.35 1ihj s GLY 52 Ca -0.08 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.29 1ihj s GLY 52 CO 0.83 0.33 -0.09 -0.42 0.00 0.00 0.00 173.10 173.75 1ihj s ILE 53 N -2.57 0.88 -0.05 0.90 1.01 -1.26 -1.31 121.20 118.80 1ihj s ILE 53 Ca -0.05 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 1ihj s ILE 53 Cb -0.01 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1ihj s ILE 53 CO -0.03 0.30 1.15 -0.69 0.00 0.00 0.00 174.94 175.67 1ihj s VAL 54 N 0.80 4.36 0.30 2.92 1.01 -0.07 -4.98 120.40 124.73 1ihj s VAL 54 Ca -0.13 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 1ihj s VAL 54 Cb -0.15 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 1ihj s VAL 54 CO 0.02 0.03 1.50 -0.81 0.00 0.00 0.00 175.10 175.83 1ihj n PRO 55 N 4.92 2.47 -1.17 2.72 -0.04 -1.26 -1.99 135.00 140.64 1ihj n PRO 55 Ca 0.10 0.87 -0.06 0.00 -0.04 0.00 0.00 63.50 64.38 1ihj n PRO 55 Cb 0.47 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.31 1ihj n PRO 55 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ihj n ASP 56 N 1.75 -4.65 -4.93 3.54 2.03 -1.26 -5.01 116.55 108.02 1ihj n ASP 56 Ca 0.08 0.14 -0.23 0.00 0.52 0.00 0.00 54.79 55.30 1ihj n ASP 56 Cb 0.36 -2.65 0.06 0.00 -0.72 0.00 0.00 41.12 38.16 1ihj n ASP 56 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ihj s SER 57 N -2.40 5.01 0.24 1.67 1.04 -0.84 -4.82 113.70 113.60 1ihj s SER 57 Ca 0.00 0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.52 1ihj s SER 57 Cb 0.00 -0.89 0.34 0.00 0.10 0.00 0.00 66.02 65.57 1ihj s SER 57 CO 0.00 -1.38 1.83 -0.65 0.98 0.00 0.00 173.24 174.02 1ihj h PRO 58 N -0.24 0.85 -1.00 4.02 0.11 -1.75 0.77 132.00 134.76 1ihj h PRO 58 Ca -0.43 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1ihj h PRO 58 Cb 1.30 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1ihj h PRO 58 CO 0.54 0.56 0.65 0.00 -0.21 0.00 0.00 178.00 179.54 1ihj h ALA 59 N 1.41 1.26 0.00 -0.75 0.00 -1.48 0.94 119.26 120.65 1ihj h ALA 59 Ca 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ihj h ALA 59 Cb 0.24 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ihj h ALA 59 CO -0.20 0.67 -0.00 1.25 0.00 0.00 0.00 179.25 180.97 1ihj h HIS 60 N 1.36 -0.00 0.00 0.00 6.17 -1.54 -3.24 115.15 117.88 1ihj h HIS 60 Ca 0.36 -0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.41 1ihj h HIS 60 Cb -0.14 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 29.79 1ihj h HIS 60 CO 0.00 0.56 -0.18 -0.07 0.71 0.00 0.00 177.93 178.96 1ihj h LEU 61 N -0.57 0.00 -0.49 0.26 3.38 -0.73 -2.61 115.31 114.54 1ihj h LEU 61 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1ihj h LEU 61 Cb 0.57 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1ihj h LEU 61 CO 0.00 0.18 0.12 0.00 0.09 0.00 0.00 178.44 178.83 1ihj n GLY 63 N -1.28 1.73 0.86 0.00 0.00 -0.99 -4.82 105.19 100.70 1ihj n GLY 63 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1ihj n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ihj n ARG 64 N -2.00 2.97 -5.22 1.61 1.74 -1.26 -4.92 116.66 109.58 1ihj n ARG 64 Ca 0.00 -2.36 -0.32 0.00 -0.77 0.00 0.00 57.85 54.41 1ihj n ARG 64 Cb 0.00 -1.48 -0.17 0.00 -1.02 0.00 0.00 32.46 29.80 1ihj n ARG 64 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ihj s LEU 65 N -1.44 2.11 0.10 0.55 1.43 -1.26 -5.03 118.68 115.14 1ihj s LEU 65 Ca 0.32 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1ihj s LEU 65 Cb 0.20 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 1ihj s LEU 65 CO 0.17 0.20 -0.22 -0.54 0.23 0.00 0.00 176.35 176.20 1ihj s LYS 66 N 0.08 1.20 0.24 1.70 -0.14 -1.26 -4.96 119.74 116.59 1ihj s LYS 66 Ca -0.11 -1.17 -0.31 0.00 -1.36 0.00 0.00 55.97 53.03 1ihj s LYS 66 Cb -0.16 -1.49 -0.11 0.00 -1.68 0.00 0.00 37.83 34.40 1ihj s LYS 66 CO 0.06 0.35 1.54 0.08 -0.76 0.00 0.00 175.35 176.63 1ihj s VAL 67 N -1.11 2.41 0.00 3.17 1.01 -1.26 -1.52 120.40 123.09 1ihj s VAL 67 Ca 0.08 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1ihj s VAL 67 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1ihj s VAL 67 CO 0.04 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1ihj n GLY 68 N 2.73 1.76 3.77 4.51 0.00 0.16 -5.00 105.19 113.11 1ihj n GLY 68 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1ihj n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ihj s ASP 69 N -1.59 5.59 -0.02 1.61 1.01 -0.58 -4.71 116.67 117.98 1ihj s ASP 69 Ca 0.00 2.25 -0.01 0.00 0.71 0.00 0.00 52.55 55.50 1ihj s ASP 69 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1ihj s ASP 69 CO 0.00 -1.31 0.06 0.00 0.21 0.00 0.00 175.17 174.12 1ihj s ARG 70 N -3.26 3.02 -0.31 8.23 1.70 -0.57 -0.80 118.95 126.95 1ihj s ARG 70 Ca 0.74 -0.48 -0.14 0.00 -0.47 0.00 0.00 55.73 55.38 1ihj s ARG 70 Cb -0.26 -2.83 -0.03 0.00 -0.57 0.00 0.00 34.95 31.26 1ihj s ARG 70 CO 0.29 0.66 0.31 0.42 -1.08 0.00 0.00 175.30 175.91 1ihj s ILE 71 N -1.12 5.21 -0.09 4.99 1.01 0.11 -1.33 121.20 129.98 1ihj s ILE 71 Ca 0.20 0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.89 1ihj s ILE 71 Cb -0.12 -3.72 -0.28 0.00 0.01 0.00 0.00 42.46 38.35 1ihj s ILE 71 CO 0.11 0.04 0.54 -0.07 0.00 0.00 0.00 174.94 175.56 1ihj h LEU 72 N 8.61 0.47 -7.73 2.97 3.38 -1.11 -3.40 115.31 118.49 1ihj h LEU 72 Ca -0.31 -0.90 -0.08 0.00 0.09 0.00 0.00 57.88 56.68 1ihj h LEU 72 Cb 1.16 -0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 1ihj h LEU 72 CO 0.65 1.74 -0.28 -0.94 0.09 0.00 0.00 178.44 179.70 1ihj s SER 73 N -7.13 0.01 -0.11 -0.43 1.04 -1.22 -1.29 113.70 104.56 1ihj s SER 73 Ca -0.19 -0.59 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 1ihj s SER 73 Cb 0.05 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1ihj s SER 73 CO 0.79 -0.79 0.01 -0.22 0.98 0.00 0.00 173.24 174.02 1ihj s LEU 74 N -2.86 0.77 -1.52 2.42 2.96 0.13 -1.96 118.68 118.63 1ihj s LEU 74 Ca 0.06 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 53.53 1ihj s LEU 74 Cb 0.04 -0.49 0.08 0.00 0.50 0.00 0.00 46.19 46.31 1ihj s LEU 74 CO -0.10 -0.23 0.85 0.59 -1.32 0.00 0.00 176.35 176.14 1ihj n ASN 75 N 5.12 -3.50 0.00 3.68 3.02 0.05 -1.08 115.26 122.55 1ihj n ASN 75 Ca -0.08 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1ihj n ASN 75 Cb 0.49 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 1ihj n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ihj n GLY 76 N -1.65 0.92 3.57 7.41 0.00 -1.26 -5.02 105.19 109.15 1ihj n GLY 76 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1ihj n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ihj s LYS 77 N -0.06 3.88 0.03 1.61 2.20 -0.24 -5.06 119.74 122.10 1ihj s LYS 77 Ca 0.00 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 1ihj s LYS 77 Cb 0.00 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.85 1ihj s LYS 77 CO 0.00 -0.00 1.77 0.34 -0.36 0.00 0.00 175.35 177.10 1ihj s ASP 78 N 1.16 6.55 -0.08 1.43 3.68 -1.26 -0.69 116.67 127.46 1ihj s ASP 78 Ca 0.05 2.50 0.11 0.00 2.13 0.00 0.00 52.55 57.35 1ihj s ASP 78 Cb -0.14 -2.54 0.17 0.00 -1.45 0.00 0.00 42.92 38.96 1ihj s ASP 78 CO 0.04 -0.96 1.08 1.33 0.13 0.00 0.00 175.17 176.78 1ihj n VAL 79 N 5.20 1.46 -0.31 1.11 0.24 -0.41 -4.78 118.33 120.83 1ihj n VAL 79 Ca 0.18 -1.68 0.12 0.00 -2.04 0.00 0.00 64.34 60.91 1ihj n VAL 79 Cb 0.41 0.07 0.35 0.00 -1.47 0.00 0.00 33.84 33.20 1ihj n VAL 79 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ihj h ARG 80 N 0.00 0.73 -0.21 7.34 3.08 -1.78 -2.27 114.38 121.27 1ihj h ARG 80 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ihj h ARG 80 Cb 0.86 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1ihj h ARG 80 CO 0.00 0.48 0.00 0.09 -1.07 0.00 0.00 179.97 179.47 1ihj n ASN 81 N -4.61 3.21 -4.82 7.04 3.02 -1.26 -4.16 115.26 113.67 1ihj n ASN 81 Ca 0.19 -2.67 -0.32 0.00 -0.03 0.00 0.00 54.58 51.75 1ihj n ASN 81 Cb 0.49 -0.39 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1ihj n ASN 81 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ihj s SER 82 N -1.76 5.79 0.67 6.41 0.01 -0.85 -5.05 113.70 118.91 1ihj s SER 82 Ca 0.32 1.68 -0.11 0.00 1.31 0.00 0.00 55.95 59.14 1ihj s SER 82 Cb 0.24 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 1ihj s SER 82 CO 0.09 -1.17 1.06 0.42 0.41 0.00 0.00 173.24 174.06 1ihj s THR 83 N -2.76 3.97 0.14 1.44 -4.23 -1.26 -4.86 115.64 108.08 1ihj s THR 83 Ca 0.60 0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 61.57 1ihj s THR 83 Cb -0.14 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.08 1ihj s THR 83 CO 0.44 -0.82 1.73 -0.33 -0.54 0.00 0.00 174.62 175.10 1ihj h GLU 84 N -0.51 0.59 -0.86 3.99 3.07 -1.96 -2.76 114.58 116.14 1ihj h GLU 84 Ca -0.45 -0.08 0.03 0.00 -0.50 0.00 0.00 59.36 58.37 1ihj h GLU 84 Cb 1.23 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.98 1ihj h GLU 84 CO 0.63 0.49 0.57 0.37 -1.40 0.00 0.00 179.01 179.67 1ihj h GLN 85 N 0.53 1.06 -0.77 2.33 5.75 -1.99 -1.36 115.11 120.65 1ihj h GLN 85 Ca 0.14 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1ihj h GLN 85 Cb 0.09 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 1ihj h GLN 85 CO -0.02 0.70 0.39 0.00 -2.65 0.00 0.00 178.83 177.25 1ihj h ALA 86 N 1.49 1.23 -0.30 3.38 0.00 -1.88 0.86 119.26 124.05 1ihj h ALA 86 Ca 0.34 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1ihj h ALA 86 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ihj h ALA 86 CO -0.10 0.60 -0.42 0.28 0.00 0.00 0.00 179.25 179.61 1ihj h VAL 87 N 1.09 1.29 -0.62 0.00 2.07 -1.14 -2.01 116.25 116.93 1ihj h VAL 87 Ca 0.27 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1ihj h VAL 87 Cb 0.08 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1ihj h VAL 87 CO -0.04 0.52 0.34 0.40 0.02 0.00 0.00 177.57 178.81 1ihj h ILE 88 N 0.58 1.20 -0.67 4.57 1.08 -0.83 -0.96 117.51 122.49 1ihj h ILE 88 Ca 0.03 -0.50 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1ihj h ILE 88 Cb 1.02 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1ihj h ILE 88 CO 0.10 0.21 0.40 0.44 -0.69 0.00 0.00 178.15 178.62 1ihj h ASP 89 N 0.84 0.80 -0.64 1.72 3.32 -0.76 -0.87 116.42 120.83 1ihj h ASP 89 Ca 0.22 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1ihj h ASP 89 Cb 0.04 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1ihj h ASP 89 CO -0.03 0.62 0.40 -0.07 -1.72 0.00 0.00 179.24 178.43 1ihj h LEU 90 N 0.91 0.66 -0.50 1.55 3.38 -0.86 -1.30 115.31 119.14 1ihj h LEU 90 Ca 0.24 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1ihj h LEU 90 Cb -0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1ihj h LEU 90 CO -0.05 0.46 0.15 0.40 0.09 0.00 0.00 178.44 179.50 1ihj h ILE 91 N 0.79 1.23 0.00 1.22 2.04 -0.71 -2.67 117.51 119.41 1ihj h ILE 91 Ca 0.25 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1ihj h ILE 91 Cb -0.00 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1ihj h ILE 91 CO -0.09 0.29 -0.09 0.11 0.00 0.00 0.00 178.15 178.36 1ihj h LYS 92 N 0.69 0.00 0.00 2.37 1.57 -0.78 -1.94 116.57 118.47 1ihj h LYS 92 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ihj h LYS 92 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1ihj h LYS 92 CO -0.00 0.09 -0.07 0.39 -0.57 0.00 0.00 179.45 179.29 1ihj n GLU 93 N -3.32 0.20 -1.82 3.15 1.02 -0.53 -4.84 120.64 114.50 1ihj n GLU 93 Ca -0.01 0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 56.98 1ihj n GLU 93 Cb 0.29 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1ihj n GLU 93 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ihj s ALA 94 N -3.08 2.96 0.00 0.62 0.00 -0.73 -5.07 121.76 116.46 1ihj s ALA 94 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1ihj s ALA 94 Cb 0.14 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1ihj s ALA 94 CO 0.60 -0.91 0.00 -0.25 0.00 0.00 0.00 175.76 175.20 1ihj n ASP 95 N -2.89 0.00 -0.17 0.00 9.92 -1.26 -4.86 116.55 117.28 1ihj n ASP 95 Ca 0.06 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.39 1ihj n ASP 95 Cb 0.55 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.99 1ihj n ASP 95 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1ihj n PHE 96 N 0.00 0.00 -4.24 1.24 -1.74 -1.26 -4.99 117.46 106.47 1ihj n PHE 96 Ca 0.00 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.70 1ihj n PHE 96 Cb 0.00 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 40.88 1ihj n PHE 96 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1ihj s LYS 97 N -2.05 0.88 -0.01 3.97 1.02 -1.26 -0.77 119.74 121.52 1ihj s LYS 97 Ca 0.09 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.16 1ihj s LYS 97 Cb 0.11 -0.92 0.01 0.00 -0.52 0.00 0.00 37.83 36.51 1ihj s LYS 97 CO 0.47 0.21 -0.00 0.96 -0.92 0.00 0.00 175.35 176.07 1ihj s ILE 98 N -1.15 0.09 -0.22 2.17 -4.36 -0.74 -4.90 121.20 112.10 1ihj s ILE 98 Ca -0.00 0.03 -0.07 0.00 -0.26 0.00 0.00 60.65 60.35 1ihj s ILE 98 Cb -0.09 -0.14 -0.03 0.00 1.25 0.00 0.00 42.46 43.45 1ihj s ILE 98 CO 0.02 0.07 0.05 -0.70 0.24 0.00 0.00 174.94 174.62 1ihj s GLU 99 N 0.43 3.71 -0.13 0.37 2.12 -1.26 -1.32 118.70 122.63 1ihj s GLU 99 Ca -0.04 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 54.81 1ihj s GLU 99 Cb -0.06 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 1ihj s GLU 99 CO -0.01 -0.05 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.08 1ihj s LEU 100 N 1.22 3.06 -0.34 2.70 1.43 0.13 -0.77 118.68 126.11 1ihj s LEU 100 Ca 0.04 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1ihj s LEU 100 Cb -0.14 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1ihj s LEU 100 CO 0.03 0.22 0.48 -0.70 0.23 0.00 0.00 176.35 176.60 1ihj s GLU 101 N 0.07 3.64 -0.06 1.70 2.12 -0.83 -0.60 118.70 124.74 1ihj s GLU 101 Ca -0.02 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.16 1ihj s GLU 101 Cb -0.14 -3.80 -0.02 0.00 0.26 0.00 0.00 34.13 30.43 1ihj s GLU 101 CO 0.03 -0.60 -0.15 0.42 -0.54 0.00 0.00 175.26 174.42 1ihj s ILE 102 N 2.31 2.94 -0.22 -3.70 -1.09 0.81 -0.50 121.20 121.75 1ihj s ILE 102 Ca 0.17 -0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 57.80 1ihj s ILE 102 Cb -0.16 -2.15 -0.01 0.00 -1.58 0.00 0.00 42.46 38.57 1ihj s ILE 102 CO 0.13 0.58 -0.04 -1.58 -1.23 0.00 0.00 174.94 172.79 1ihj s GLN 103 N -0.57 3.36 0.35 2.79 0.74 -0.44 -0.22 119.66 125.67 1ihj s GLN 103 Ca 0.08 -0.63 0.03 0.00 0.05 0.00 0.00 55.36 54.89 1ihj s GLN 103 Cb -0.11 -3.01 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 1ihj s GLN 103 CO 0.01 -0.20 0.08 -0.08 -0.55 0.00 0.00 175.29 174.55 1ihj s THR 104 N 1.48 0.96 0.00 -0.34 -1.32 0.28 -1.51 115.64 115.19 1ihj s THR 104 Ca 0.06 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.54 1ihj s THR 104 Cb -0.14 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 1ihj s THR 104 CO -0.03 0.00 0.00 0.49 -2.21 0.00 0.00 174.62 172.87