#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hze s PHE 2 N 0.00 -0.41 0.00 2.03 -0.12 -1.26 -5.07 117.98 113.15 1hze s PHE 2 Ca 0.00 0.99 0.00 0.00 -0.05 0.00 0.00 56.93 57.87 1hze s PHE 2 Cb 0.00 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1hze s PHE 2 CO 0.00 -0.20 0.00 0.25 -0.05 0.00 0.00 175.22 175.22 1hze n THR 3 N 2.17 0.00 -1.35 -4.49 -2.24 -1.26 -4.98 114.28 102.13 1hze n THR 3 Ca -0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1hze n THR 3 Cb 0.56 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 1hze n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hze n GLY 4 N 1.94 1.23 3.70 3.38 0.00 -1.26 -4.87 105.19 109.31 1hze n GLY 4 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1hze n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hze s ILE 5 N -2.07 4.70 -0.05 -0.61 1.01 -1.26 -4.88 121.20 118.05 1hze s ILE 5 Ca 0.00 1.95 -0.15 0.00 0.00 0.00 0.00 60.65 62.45 1hze s ILE 5 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1hze s ILE 5 CO 0.00 0.11 0.41 -0.69 0.00 0.00 0.00 174.94 174.76 1hze s VAL 6 N 1.33 5.10 0.27 2.92 1.01 -1.26 -4.98 120.40 124.79 1hze s VAL 6 Ca 0.52 0.82 0.09 0.00 0.00 0.00 0.00 61.98 63.41 1hze s VAL 6 Cb -0.22 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1hze s VAL 6 CO 0.25 0.50 1.61 1.56 0.00 0.00 0.00 175.10 179.03 1hze h GLN 7 N 5.39 0.08 -3.42 2.72 4.20 -1.96 -3.48 115.11 118.64 1hze h GLN 7 Ca -0.48 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.06 1hze h GLN 7 Cb 1.20 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 1hze h GLN 7 CO 0.66 0.65 0.11 0.20 -0.67 0.00 0.00 178.83 179.77 1hze s GLY 8 N -4.41 0.80 0.33 3.46 0.00 -1.07 -5.06 107.32 101.37 1hze s GLY 8 Ca -0.02 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.69 1hze s GLY 8 CO 0.77 -0.57 0.06 -0.51 0.00 0.00 0.00 173.10 172.85 1hze s THR 9 N -2.54 1.21 0.03 0.90 -4.23 -1.26 0.01 115.64 109.76 1hze s THR 9 Ca 0.21 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 1hze s THR 9 Cb -0.03 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1hze s THR 9 CO 0.15 -0.00 -0.06 0.00 -0.54 0.00 0.00 174.62 174.17 1hze s ALA 10 N -3.28 0.40 -0.31 3.99 0.00 0.17 -4.15 121.76 118.57 1hze s ALA 10 Ca 0.37 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 1hze s ALA 10 Cb 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1hze s ALA 10 CO 0.16 -0.06 0.16 0.21 0.00 0.00 0.00 175.76 176.23 1hze s LYS 11 N -1.40 3.36 0.16 0.00 2.20 -0.81 0.13 119.74 123.38 1hze s LYS 11 Ca -0.11 -0.71 -0.32 0.00 -0.36 0.00 0.00 55.97 54.48 1hze s LYS 11 Cb -0.09 -3.60 -0.11 0.00 -1.51 0.00 0.00 37.83 32.52 1hze s LYS 11 CO -0.00 -0.42 1.79 -0.11 -0.36 0.00 0.00 175.35 176.25 1hze n LEU 12 N 5.00 4.02 0.00 5.43 7.94 0.11 0.11 117.00 139.61 1hze n LEU 12 Ca -0.14 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 1hze n LEU 12 Cb 0.49 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.89 1hze n LEU 12 CO 0.34 0.18 -0.27 0.55 -1.11 0.00 0.00 177.39 177.08 1hze n VAL 13 N 4.39 0.00 -3.81 1.96 3.14 -0.72 -1.26 118.33 122.02 1hze n VAL 13 Ca 0.17 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.43 1hze n VAL 13 Cb 0.36 -0.48 -0.12 0.00 -1.06 0.00 0.00 33.84 32.54 1hze n VAL 13 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1hze s SER 14 N -2.32 -0.17 -0.12 6.55 0.15 -1.13 -4.81 113.70 111.85 1hze s SER 14 Ca 0.00 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.92 1hze s SER 14 Cb 0.00 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.65 1hze s SER 14 CO 0.00 -0.12 -0.04 -0.63 1.20 0.00 0.00 173.24 173.65 1hze s ILE 15 N -0.16 3.92 -0.28 6.45 1.01 -1.26 -0.76 121.20 130.11 1hze s ILE 15 Ca -0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 1hze s ILE 15 Cb -0.02 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1hze s ILE 15 CO 0.01 0.55 0.05 -1.81 0.00 0.00 0.00 174.94 173.74 1hze s ASP 16 N -0.23 4.97 -0.33 3.58 1.01 0.15 -4.98 116.67 120.84 1hze s ASP 16 Ca 0.04 -0.71 -0.10 0.00 0.71 0.00 0.00 52.55 52.49 1hze s ASP 16 Cb -0.13 -1.84 0.00 0.00 1.01 0.00 0.00 42.92 41.97 1hze s ASP 16 CO 0.02 -0.17 0.17 -0.70 0.21 0.00 0.00 175.17 174.70 1hze s GLU 17 N 1.47 3.17 -0.16 8.23 2.12 -1.26 0.73 118.70 133.00 1hze s GLU 17 Ca 0.02 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 1hze s GLU 17 Cb -0.17 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1hze s GLU 17 CO 0.01 -0.51 -0.11 0.15 -0.54 0.00 0.00 175.26 174.27 1hze s LYS 18 N 1.59 3.35 0.63 4.30 1.02 -0.42 -4.97 119.74 125.25 1hze s LYS 18 Ca 0.04 -0.68 0.27 0.00 0.02 0.00 0.00 55.97 55.62 1hze s LYS 18 Cb -0.18 -2.75 1.42 0.00 -0.52 0.00 0.00 37.83 35.81 1hze s LYS 18 CO 0.06 0.05 1.82 -1.00 -0.92 0.00 0.00 175.35 175.36 1hze h PRO 19 N 7.24 0.00 0.21 -1.68 0.13 -2.02 0.67 132.00 136.55 1hze h PRO 19 Ca -0.32 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.53 1hze h PRO 19 Cb 1.19 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.35 1hze h PRO 19 CO 0.58 0.00 -1.21 -0.91 -0.23 0.00 0.00 178.00 176.23 1hze h ASN 20 N 0.00 0.70 -5.00 1.44 2.35 -2.03 -3.48 115.58 109.57 1hze h ASN 20 Ca 0.12 -0.93 -0.08 0.00 -0.55 0.00 0.00 56.30 54.86 1hze h ASN 20 Cb 1.09 -0.23 -0.19 0.00 0.05 0.00 0.00 38.32 39.04 1hze h ASN 20 CO -0.00 1.58 0.04 -0.36 -1.65 0.00 0.00 177.43 177.04 1hze s PHE 21 N -2.55 -0.50 0.13 1.19 0.08 0.23 -4.90 117.98 111.66 1hze s PHE 21 Ca -0.11 0.82 -0.13 0.00 0.12 0.00 0.00 56.93 57.63 1hze s PHE 21 Cb 0.03 0.31 -0.07 0.00 -0.57 0.00 0.00 43.02 42.72 1hze s PHE 21 CO 0.90 -0.55 0.51 0.50 -0.10 0.00 0.00 175.22 176.49 1hze s ARG 22 N -1.32 3.93 -0.02 0.44 3.52 -0.44 -1.29 118.95 123.77 1hze s ARG 22 Ca -0.11 0.42 0.04 0.00 -0.13 0.00 0.00 55.73 55.94 1hze s ARG 22 Cb -0.02 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.41 1hze s ARG 22 CO 0.07 0.50 -0.13 0.99 -0.81 0.00 0.00 175.30 175.93 1hze s THR 23 N -1.44 1.04 -0.01 4.11 2.01 0.22 -0.39 115.64 121.19 1hze s THR 23 Ca 0.36 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.87 1hze s THR 23 Cb -0.15 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 1hze s THR 23 CO 0.19 0.30 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.27 1hze s HIS 24 N -0.12 1.29 -0.07 4.92 3.76 -0.43 0.32 115.29 124.97 1hze s HIS 24 Ca 0.01 -0.24 0.06 0.00 -0.15 0.00 0.00 55.06 54.74 1hze s HIS 24 Cb -0.07 -0.83 -0.01 0.00 1.11 0.00 0.00 32.58 32.78 1hze s HIS 24 CO 0.00 -0.02 -0.25 0.08 -0.85 0.00 0.00 174.74 173.70 1hze s VAL 25 N -0.34 2.06 0.41 -0.90 1.01 0.06 0.14 120.40 122.84 1hze s VAL 25 Ca 0.06 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.05 1hze s VAL 25 Cb -0.06 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 1hze s VAL 25 CO -0.01 0.57 0.03 0.68 0.00 0.00 0.00 175.10 176.37 1hze s VAL 26 N -0.05 2.03 -0.29 2.92 -7.23 -0.42 -1.76 120.40 115.61 1hze s VAL 26 Ca -0.07 -1.96 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 1hze s VAL 26 Cb -0.15 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.77 1hze s VAL 26 CO 0.05 0.00 0.15 -0.70 -0.31 0.00 0.00 175.10 174.28 1hze s GLU 27 N -3.73 3.56 -0.03 4.82 2.12 0.30 -0.51 118.70 125.23 1hze s GLU 27 Ca 0.36 -0.57 -0.26 0.00 0.36 0.00 0.00 54.97 54.86 1hze s GLU 27 Cb 0.09 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1hze s GLU 27 CO 0.19 -0.31 0.83 -1.17 -0.54 0.00 0.00 175.26 174.26 1hze s LEU 28 N 1.65 4.35 1.20 2.70 2.96 -0.61 -1.92 118.68 129.02 1hze s LEU 28 Ca 0.06 1.42 -0.18 0.00 -0.22 0.00 0.00 54.13 55.20 1hze s LEU 28 Cb -0.16 -3.31 0.28 0.00 0.50 0.00 0.00 46.19 43.50 1hze s LEU 28 CO 0.07 -0.17 1.07 -2.16 -1.32 0.00 0.00 176.35 173.83 1hze s PRO 29 N 0.85 -1.23 0.25 0.98 0.04 -1.26 -4.52 135.00 130.11 1hze s PRO 29 Ca 0.44 0.13 -0.06 0.00 0.04 0.00 0.00 61.00 61.56 1hze s PRO 29 Cb -0.19 -1.58 0.26 0.00 0.04 0.00 0.00 34.50 33.03 1hze s PRO 29 CO 0.23 -3.76 1.93 0.22 0.04 0.00 0.00 177.00 175.66 1hze h ASP 30 N -2.62 1.16 -0.04 6.66 1.82 -1.96 0.12 116.42 121.56 1hze h ASP 30 Ca -0.48 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1hze h ASP 30 Cb 1.31 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1hze h ASP 30 CO 0.39 0.84 0.00 0.00 -1.61 0.00 0.00 179.24 178.85 1hze n HIS 31 N -4.38 0.04 0.20 0.28 1.44 -1.26 -3.36 115.22 108.17 1hze n HIS 31 Ca 0.12 -0.02 0.05 0.00 -2.01 0.00 0.00 57.72 55.86 1hze n HIS 31 Cb 0.01 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.05 1hze n HIS 31 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1hze n MET 32 N 0.21 1.78 0.03 -1.40 2.81 -0.97 -4.43 117.12 115.15 1hze n MET 32 Ca 0.19 -0.05 -0.04 0.00 -1.81 0.00 0.00 57.70 55.98 1hze n MET 32 Cb 0.35 -1.13 0.18 0.00 -0.71 0.00 0.00 33.22 31.91 1hze n MET 32 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1hze h LEU 33 N 0.00 0.45 -8.68 4.03 3.38 -0.78 -3.32 115.31 110.39 1hze h LEU 33 Ca 0.00 -0.18 -0.63 0.00 0.09 0.00 0.00 57.88 57.16 1hze h LEU 33 Cb 0.37 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.86 1hze h LEU 33 CO 0.00 0.76 0.26 -0.62 0.09 0.00 0.00 178.44 178.93 1hze s ASP 34 N -6.84 6.42 0.00 -0.43 -1.08 -1.24 -4.30 116.67 109.20 1hze s ASP 34 Ca -0.06 -0.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.93 1hze s ASP 34 Cb 0.13 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 1hze s ASP 34 CO 0.79 -0.78 0.00 0.61 0.52 0.00 0.00 175.17 176.31 1hze n GLY 35 N 4.86 3.27 3.74 2.66 0.00 -1.26 -5.00 105.19 113.46 1hze n GLY 35 Ca 0.01 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 1hze n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hze s LEU 36 N 0.00 3.72 0.17 0.99 0.20 -1.25 -5.02 118.68 117.49 1hze s LEU 36 Ca 0.00 2.73 -0.05 0.00 0.69 0.00 0.00 54.13 57.50 1hze s LEU 36 Cb 0.00 -4.43 -0.03 0.00 -0.43 0.00 0.00 46.19 41.31 1hze s LEU 36 CO 0.00 -1.80 0.18 -1.83 -0.29 0.00 0.00 176.35 172.62 1hze s GLU 37 N -3.12 1.12 0.65 1.98 -1.05 -1.26 -5.03 118.70 111.99 1hze s GLU 37 Ca 0.77 -1.39 -0.15 0.00 -0.15 0.00 0.00 54.97 54.05 1hze s GLU 37 Cb -0.40 0.31 -0.00 0.00 -0.44 0.00 0.00 34.13 33.60 1hze s GLU 37 CO 0.45 -0.38 1.11 0.95 0.95 0.00 0.00 175.26 178.34 1hze s THR 38 N -4.05 3.23 0.00 1.83 -4.23 -1.26 -2.40 115.64 108.76 1hze s THR 38 Ca 0.25 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1hze s THR 38 Cb 0.05 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1hze s THR 38 CO 0.04 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1hze n GLY 39 N -0.47 0.73 3.86 3.99 0.00 -0.16 -4.90 105.19 108.25 1hze n GLY 39 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1hze n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hze s ALA 40 N -3.17 3.05 -0.39 4.61 0.00 -1.01 -4.63 121.76 120.22 1hze s ALA 40 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 1hze s ALA 40 Cb 0.00 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 20.04 1hze s ALA 40 CO 0.00 -0.76 0.34 -1.54 0.00 0.00 0.00 175.76 173.81 1hze s SER 41 N -4.14 6.14 -0.21 0.00 1.04 -1.14 -1.42 113.70 113.98 1hze s SER 41 Ca 0.55 -0.60 -0.09 0.00 0.48 0.00 0.00 55.95 56.30 1hze s SER 41 Cb -0.11 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 1hze s SER 41 CO 0.54 -0.43 0.10 -0.69 0.98 0.00 0.00 173.24 173.75 1hze s VAL 42 N 1.90 5.05 -0.27 5.02 1.01 0.35 -0.02 120.40 133.45 1hze s VAL 42 Ca 0.09 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 1hze s VAL 42 Cb -0.18 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1hze s VAL 42 CO 0.12 0.42 0.49 0.00 0.00 0.00 0.00 175.10 176.12 1hze s ALA 43 N 0.65 3.58 -0.49 5.51 0.00 -0.62 -1.31 121.76 129.08 1hze s ALA 43 Ca 0.06 -0.65 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 1hze s ALA 43 Cb -0.13 -2.86 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1hze s ALA 43 CO 0.01 -0.74 0.76 -1.01 0.00 0.00 0.00 175.76 174.78 1hze s HIS 44 N 2.28 2.97 -0.88 0.00 3.76 -0.22 -1.77 115.29 121.42 1hze s HIS 44 Ca 0.20 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 1hze s HIS 44 Cb -0.16 -3.68 0.00 0.00 1.11 0.00 0.00 32.58 29.86 1hze s HIS 44 CO 0.09 -1.08 0.00 -1.71 -0.85 0.00 0.00 174.74 171.20 1hze n ASN 45 N 6.69 -3.72 0.00 1.40 2.85 0.94 -1.59 115.26 121.84 1hze n ASN 45 Ca -0.01 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.67 1hze n ASN 45 Cb 0.47 -3.00 0.00 0.00 1.24 0.00 0.00 39.78 38.49 1hze n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1hze n GLY 46 N 0.10 1.05 3.48 8.20 0.00 -1.24 -5.03 105.19 111.76 1hze n GLY 46 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1hze n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hze s LEU 49 N 2.03 1.57 0.09 0.00 2.34 -0.43 -4.94 118.68 119.34 1hze s LEU 49 Ca 0.51 -1.41 0.02 0.00 0.06 0.00 0.00 54.13 53.32 1hze s LEU 49 Cb -0.21 0.09 -0.04 0.00 -0.56 0.00 0.00 46.19 45.48 1hze s LEU 49 CO 0.20 -0.76 0.17 -0.89 -1.06 0.00 0.00 176.35 174.00 1hze s THR 50 N -3.79 4.98 -0.39 5.48 2.01 -1.26 -0.49 115.64 122.18 1hze s THR 50 Ca 0.38 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 1hze s THR 50 Cb 0.07 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 69.15 1hze s THR 50 CO 0.14 0.08 1.23 -0.69 -0.69 0.00 0.00 174.62 174.68 1hze s VAL 51 N -1.53 4.18 0.14 3.82 1.01 -0.50 -2.23 120.40 125.29 1hze s VAL 51 Ca 0.32 1.28 -0.11 0.00 0.00 0.00 0.00 61.98 63.47 1hze s VAL 51 Cb -0.12 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1hze s VAL 51 CO 0.25 -0.72 1.48 0.71 0.00 0.00 0.00 175.10 176.83 1hze h THR 52 N 6.12 1.27 -1.86 3.92 1.35 -0.33 -0.39 112.91 122.99 1hze h THR 52 Ca -0.24 -1.54 0.04 0.00 -0.55 0.00 0.00 66.41 64.11 1hze h THR 52 Cb 1.08 1.34 -0.20 0.00 -1.73 0.00 0.00 68.15 68.64 1hze h THR 52 CO 1.08 0.52 0.41 -0.70 -0.25 0.00 0.00 175.52 176.58 1hze s GLU 53 N -4.43 0.80 -0.15 4.72 2.12 -0.91 -4.81 118.70 116.04 1hze s GLU 53 Ca -0.11 0.09 -0.05 0.00 0.36 0.00 0.00 54.97 55.26 1hze s GLU 53 Cb 0.11 0.38 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 1hze s GLU 53 CO 0.88 -0.27 0.01 0.42 -0.54 0.00 0.00 175.26 175.76 1hze s ILE 54 N -1.53 4.34 -0.93 -3.70 1.01 -1.26 0.64 121.20 119.77 1hze s ILE 54 Ca -0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 1hze s ILE 54 Cb -0.00 -2.91 0.31 0.00 0.01 0.00 0.00 42.46 39.86 1hze s ILE 54 CO 0.02 0.50 1.42 0.59 0.00 0.00 0.00 174.94 177.47 1hze n ASN 55 N 3.29 6.10 0.00 3.58 3.02 0.10 -4.94 115.26 126.40 1hze n ASN 55 Ca -0.17 -3.55 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 1hze n ASN 55 Cb 0.53 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1hze n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hze n GLY 56 N 0.60 2.14 0.20 7.41 0.00 -1.26 -2.07 105.19 112.21 1hze n GLY 56 Ca 0.34 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1hze n GLY 56 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1hze h ASN 57 N 0.00 0.00 -4.31 1.61 -1.07 -1.93 -3.46 115.58 106.42 1hze h ASN 57 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.86 1hze h ASN 57 Cb 0.00 0.00 0.08 0.00 -2.07 0.00 0.00 38.32 36.33 1hze h ASN 57 CO 0.00 0.09 0.38 -1.00 0.07 0.00 0.00 177.43 176.96 1hze s HIS 58 N -3.17 3.15 -0.06 4.14 3.76 -0.88 -1.57 115.29 120.66 1hze s HIS 58 Ca 0.06 1.43 -0.03 0.00 -0.15 0.00 0.00 55.06 56.37 1hze s HIS 58 Cb 0.06 -2.88 0.04 0.00 1.11 0.00 0.00 32.58 30.90 1hze s HIS 58 CO 0.69 -1.14 0.11 0.08 -0.85 0.00 0.00 174.74 173.63 1hze s VAL 59 N -2.95 -0.18 -0.10 -0.90 1.01 0.34 0.03 120.40 117.65 1hze s VAL 59 Ca 0.59 0.39 -0.23 0.00 0.00 0.00 0.00 61.98 62.73 1hze s VAL 59 Cb -0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1hze s VAL 59 CO 0.51 0.16 0.69 -0.44 0.00 0.00 0.00 175.10 176.02 1hze s SER 60 N 2.20 6.91 0.27 3.32 0.01 0.21 -1.30 113.70 125.32 1hze s SER 60 Ca 0.04 1.10 0.10 0.00 1.31 0.00 0.00 55.95 58.50 1hze s SER 60 Cb -0.12 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1hze s SER 60 CO -0.04 -0.16 -0.02 -0.36 0.41 0.00 0.00 173.24 173.07 1hze s PHE 61 N 1.09 2.67 0.13 2.43 0.40 0.38 0.42 117.98 125.50 1hze s PHE 61 Ca 0.35 -0.23 -0.09 0.00 -0.60 0.00 0.00 56.93 56.37 1hze s PHE 61 Cb -0.17 -1.18 -0.06 0.00 0.51 0.00 0.00 43.02 42.12 1hze s PHE 61 CO 0.16 0.63 0.43 0.16 0.70 0.00 0.00 175.22 177.29 1hze s ASP 62 N -3.66 6.61 -0.25 1.36 -4.77 -0.95 -1.32 116.67 113.70 1hze s ASP 62 Ca 0.31 0.78 -0.05 0.00 -3.30 0.00 0.00 52.55 50.29 1hze s ASP 62 Cb -0.06 -2.17 0.13 0.00 -1.09 0.00 0.00 42.92 39.73 1hze s ASP 62 CO 0.20 0.09 0.49 -0.76 0.70 0.00 0.00 175.17 175.88 1hze s LEU 63 N -2.27 -0.88 0.29 2.11 1.43 0.48 -4.62 118.68 115.22 1hze s LEU 63 Ca 0.38 0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 54.05 1hze s LEU 63 Cb -0.13 1.63 -0.10 0.00 0.03 0.00 0.00 46.19 47.62 1hze s LEU 63 CO 0.20 -0.25 1.21 -0.32 0.23 0.00 0.00 176.35 177.42 1hze s MET 64 N 2.70 4.50 0.21 1.70 -2.45 -1.26 -1.33 119.30 123.36 1hze s MET 64 Ca 0.06 2.00 -0.10 0.00 -1.25 0.00 0.00 55.69 56.40 1hze s MET 64 Cb -0.14 -3.14 0.15 0.00 1.25 0.00 0.00 34.83 32.96 1hze s MET 64 CO -0.16 -0.00 1.88 -0.22 1.05 0.00 0.00 175.02 177.56 1hze h LYS 65 N 3.79 0.99 -0.39 4.11 3.64 -1.91 0.78 116.57 127.58 1hze h LYS 65 Ca -0.47 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 58.68 1hze h LYS 65 Cb 1.22 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1hze h LYS 65 CO 0.67 0.66 -0.38 1.49 -2.27 0.00 0.00 179.45 179.62 1hze h GLU 66 N 1.01 0.95 -0.50 1.90 4.81 -2.00 -1.90 114.58 118.85 1hze h GLU 66 Ca 0.27 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1hze h GLU 66 Cb -0.11 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1hze h GLU 66 CO -0.06 1.15 0.27 1.15 -0.73 0.00 0.00 179.01 180.79 1hze h THR 67 N 0.77 1.16 -0.68 0.32 2.02 -1.80 0.22 112.91 114.93 1hze h THR 67 Ca 0.06 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.84 1hze h THR 67 Cb 0.98 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1hze h THR 67 CO 0.09 0.18 0.45 0.25 0.37 0.00 0.00 175.52 176.86 1hze h LEU 68 N 0.70 0.78 -0.39 2.58 5.85 0.13 0.44 115.31 125.40 1hze h LEU 68 Ca 0.18 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 1hze h LEU 68 Cb 0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1hze h LEU 68 CO -0.03 0.57 -0.39 -0.09 -0.34 0.00 0.00 178.44 178.16 1hze h ARG 69 N 0.93 0.94 -0.67 1.25 2.43 -0.61 -2.85 114.38 115.80 1hze h ARG 69 Ca 0.25 -0.50 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 1hze h ARG 69 Cb -0.11 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1hze h ARG 69 CO -0.05 1.16 0.28 0.97 -1.51 0.00 0.00 179.97 180.82 1hze h ILE 70 N 0.77 1.24 -3.88 1.20 2.10 0.36 -3.43 117.51 115.87 1hze h ILE 70 Ca 0.06 -0.73 -0.21 0.00 1.08 0.00 0.00 64.86 65.06 1hze h ILE 70 Cb 0.99 0.46 0.05 0.00 -1.09 0.00 0.00 36.82 37.23 1hze h ILE 70 CO 0.10 0.29 0.09 0.35 -1.08 0.00 0.00 178.15 177.90 1hze n THR 71 N -4.41 0.00 -1.09 2.19 -2.24 0.14 -4.97 114.28 103.90 1hze n THR 71 Ca 0.05 -0.65 -0.04 0.00 -2.27 0.00 0.00 64.05 61.14 1hze n THR 71 Cb 0.16 -1.33 0.29 0.00 -2.10 0.00 0.00 70.33 67.35 1hze n THR 71 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1hze n ASN 72 N -3.08 4.49 -0.17 3.42 5.15 -1.26 -4.40 115.26 119.41 1hze n ASN 72 Ca 0.08 -3.26 -0.11 0.00 -0.60 0.00 0.00 54.58 50.68 1hze n ASN 72 Cb 0.27 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 1hze n ASN 72 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1hze h LEU 73 N 2.38 1.04 -1.27 1.20 3.38 -1.86 -2.79 115.31 117.39 1hze h LEU 73 Ca 0.23 -0.39 0.17 0.00 0.09 0.00 0.00 57.88 57.99 1hze h LEU 73 Cb 2.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1hze h LEU 73 CO 0.65 1.19 0.86 1.23 0.09 0.00 0.00 178.44 182.46 1hze h GLY 74 N 0.88 0.00 2.00 0.83 0.00 -1.71 0.37 103.07 105.44 1hze h GLY 74 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1hze h GLY 74 CO 0.06 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.89 1hze h ASP 75 N 0.00 0.00 -4.00 0.19 2.03 -1.80 -3.44 116.42 109.40 1hze h ASP 75 Ca 0.27 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 56.03 1hze h ASP 75 Cb 1.99 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 40.61 1hze h ASP 75 CO -0.00 0.00 0.67 -0.76 -1.03 0.00 0.00 179.24 178.12 1hze s LEU 76 N -6.02 4.05 -0.10 0.15 1.43 0.13 -5.02 118.68 113.29 1hze s LEU 76 Ca -0.01 2.85 -0.09 0.00 -1.03 0.00 0.00 54.13 55.84 1hze s LEU 76 Cb 0.10 -4.02 0.03 0.00 0.03 0.00 0.00 46.19 42.33 1hze s LEU 76 CO 0.47 -1.25 0.28 -0.54 0.23 0.00 0.00 176.35 175.54 1hze s LYS 77 N -2.55 0.32 0.73 1.70 1.02 -1.26 -5.12 119.74 114.58 1hze s LYS 77 Ca 0.63 0.39 -0.15 0.00 0.02 0.00 0.00 55.97 56.87 1hze s LYS 77 Cb -0.42 0.15 0.04 0.00 -0.52 0.00 0.00 37.83 37.08 1hze s LYS 77 CO 0.53 -0.04 1.21 0.08 -0.92 0.00 0.00 175.35 176.21 1hze s VAL 78 N 0.20 2.25 0.00 3.17 1.01 -1.26 -1.86 120.40 123.90 1hze s VAL 78 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1hze s VAL 78 Cb -0.02 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1hze s VAL 78 CO -0.00 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1hze n GLY 79 N 0.44 2.41 4.01 4.51 0.00 -0.39 -4.97 105.19 111.20 1hze n GLY 79 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1hze n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hze s ASP 80 N -2.14 5.65 0.39 1.61 -1.08 -0.78 -4.89 116.67 115.43 1hze s ASP 80 Ca 0.00 -0.41 0.08 0.00 -0.52 0.00 0.00 52.55 51.70 1hze s ASP 80 Cb 0.00 -0.66 -0.06 0.00 -1.46 0.00 0.00 42.92 40.73 1hze s ASP 80 CO 0.00 -0.77 0.05 0.26 0.52 0.00 0.00 175.17 175.23 1hze s TRP 81 N -2.36 2.54 0.12 -5.34 0.52 -1.26 0.06 118.94 113.22 1hze s TRP 81 Ca 0.55 -0.57 0.06 0.00 0.02 0.00 0.00 56.10 56.15 1hze s TRP 81 Cb -0.10 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1hze s TRP 81 CO 0.33 0.40 -0.13 0.54 0.02 0.00 0.00 176.95 178.10 1hze s VAL 82 N -2.62 1.28 -0.54 4.03 0.11 0.35 -4.86 120.40 118.14 1hze s VAL 82 Ca 0.36 -1.70 -0.28 0.00 -2.93 0.00 0.00 61.98 57.43 1hze s VAL 82 Cb 0.05 -1.50 0.03 0.00 -1.53 0.00 0.00 36.38 33.43 1hze s VAL 82 CO 0.19 -0.43 1.16 0.20 -3.33 0.00 0.00 175.10 172.88 1hze s ASN 83 N -2.45 6.50 -0.09 3.54 -0.87 -1.26 0.42 114.94 120.74 1hze s ASN 83 Ca 0.08 0.20 -0.01 0.00 -1.57 0.00 0.00 52.86 51.56 1hze s ASN 83 Cb -0.05 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.61 1hze s ASN 83 CO 0.03 -1.38 -0.02 0.68 -2.57 0.00 0.00 177.10 173.84 1hze s VAL 84 N 4.71 4.15 0.00 1.60 -7.23 0.10 0.32 120.40 124.05 1hze s VAL 84 Ca 0.44 -0.30 0.02 0.00 -1.81 0.00 0.00 61.98 60.32 1hze s VAL 84 Cb -0.08 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 1hze s VAL 84 CO 0.27 0.59 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.91 1hze s GLU 85 N -0.77 0.40 0.02 4.82 2.12 -0.73 -2.61 118.70 121.96 1hze s GLU 85 Ca 0.12 -0.25 -0.28 0.00 0.36 0.00 0.00 54.97 54.91 1hze s GLU 85 Cb -0.11 -0.36 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 1hze s GLU 85 CO 0.02 0.09 0.89 -0.98 -0.54 0.00 0.00 175.26 174.75 1hze s ARG 86 N -0.33 4.56 0.05 4.30 1.70 -1.26 -1.58 118.95 126.39 1hze s ARG 86 Ca 0.00 1.28 0.07 0.00 -0.47 0.00 0.00 55.73 56.60 1hze s ARG 86 Cb -0.03 -3.42 -0.03 0.00 -0.57 0.00 0.00 34.95 30.90 1hze s ARG 86 CO -0.00 0.09 -0.19 0.00 -1.08 0.00 0.00 175.30 174.12 1hze s ALA 87 N 0.56 1.61 0.01 7.88 0.00 0.97 -4.94 121.76 127.85 1hze s ALA 87 Ca 0.46 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1hze s ALA 87 Cb -0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1hze s ALA 87 CO 0.26 0.34 -0.10 0.00 0.00 0.00 0.00 175.76 176.26 1hze s ALA 88 N -0.86 0.79 0.14 0.00 0.00 -1.26 -2.89 121.76 117.68 1hze s ALA 88 Ca 0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 1hze s ALA 88 Cb -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1hze s ALA 88 CO 0.02 0.15 1.47 0.87 0.00 0.00 0.00 175.76 178.27 1hze h LYS 89 N 5.44 0.94 -3.74 0.00 1.79 -1.98 -3.46 116.57 115.56 1hze h LYS 89 Ca -0.33 -0.51 -0.08 0.00 -2.18 0.00 0.00 60.65 57.55 1hze h LYS 89 Cb 1.18 0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 31.72 1hze h LYS 89 CO 0.47 1.16 -0.32 -0.59 -1.08 0.00 0.00 179.45 179.09 1hze s PHE 90 N -4.37 0.09 0.11 -1.35 -0.71 -1.26 -5.18 117.98 105.32 1hze s PHE 90 Ca -0.11 -0.51 -0.12 0.00 -1.04 0.00 0.00 56.93 55.15 1hze s PHE 90 Cb 0.11 -0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.92 1hze s PHE 90 CO 0.88 -0.57 0.29 0.45 -1.34 0.00 0.00 175.22 174.94 1hze s SER 91 N -2.85 -0.04 0.25 1.98 0.15 -1.26 -5.04 113.70 106.88 1hze s SER 91 Ca 0.05 -0.53 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 1hze s SER 91 Cb 0.04 0.41 0.30 0.00 -1.71 0.00 0.00 66.02 65.06 1hze s SER 91 CO -0.11 -0.80 1.71 0.44 1.20 0.00 0.00 173.24 175.67 1hze h ASP 92 N 2.56 0.72 -1.78 5.45 3.32 -2.04 -3.38 116.42 121.27 1hze h ASP 92 Ca -0.34 -0.22 -0.51 0.00 0.02 0.00 0.00 57.03 55.99 1hze h ASP 92 Cb 1.23 -0.19 -0.35 0.00 0.22 0.00 0.00 39.33 40.23 1hze h ASP 92 CO 0.51 0.87 -0.99 -0.62 -1.72 0.00 0.00 179.24 177.29 1hze n GLU 93 N -4.16 0.61 -0.17 3.56 1.02 -1.26 -4.95 120.64 115.30 1hze n GLU 93 Ca 0.01 -2.98 -0.07 0.00 -0.02 0.00 0.00 57.16 54.10 1hze n GLU 93 Cb 0.37 -1.34 0.02 0.00 -0.02 0.00 0.00 31.44 30.47 1hze n GLU 93 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1hze h ILE 94 N 2.72 1.13 0.00 -3.67 1.08 -1.99 -3.45 117.51 113.33 1hze h ILE 94 Ca 0.08 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1hze h ILE 94 Cb 0.91 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1hze h ILE 94 CO 0.41 0.12 0.00 0.61 -0.69 0.00 0.00 178.15 178.60 1hze n GLY 95 N -1.23 1.58 0.22 5.37 0.00 -1.26 -4.72 105.19 105.14 1hze n GLY 95 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1hze n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hze n GLY 96 N 0.00 -0.86 0.00 -0.02 0.00 -1.26 -5.32 105.19 97.73 1hze n GLY 96 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1hze n GLY 96 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74