#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxb s GLN 2 N 0.00 3.99 -0.20 0.54 0.74 -1.26 -5.08 119.66 118.40 1hxb s GLN 2 Ca 0.00 0.42 0.01 0.00 0.05 0.00 0.00 55.36 55.84 1hxb s GLN 2 Cb 0.00 -3.25 0.04 0.00 1.10 0.00 0.00 33.01 30.90 1hxb s GLN 2 CO 0.00 0.61 -0.09 0.08 -0.55 0.00 0.00 175.29 175.34 1hxb s VAL 3 N -0.83 1.53 0.59 1.34 1.01 -1.26 -5.14 120.40 117.64 1hxb s VAL 3 Ca 0.24 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1hxb s VAL 3 Cb -0.17 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1hxb s VAL 3 CO 0.13 0.13 0.92 0.42 0.00 0.00 0.00 175.10 176.70 1hxb s THR 4 N 1.44 4.06 -0.33 3.92 -4.23 -1.26 -5.02 115.64 114.21 1hxb s THR 4 Ca -0.01 0.24 0.08 0.00 -1.18 0.00 0.00 61.69 60.81 1hxb s THR 4 Cb -0.16 -3.61 0.56 0.00 1.34 0.00 0.00 72.50 70.63 1hxb s THR 4 CO -0.08 -0.67 1.60 0.18 -0.54 0.00 0.00 174.62 175.11 1hxb n LEU 5 N -2.60 4.89 0.15 4.79 4.77 -1.26 -4.48 117.00 123.27 1hxb n LEU 5 Ca 0.04 -3.67 0.01 0.00 -0.03 0.00 0.00 56.01 52.36 1hxb n LEU 5 Cb 0.56 -0.69 0.21 0.00 -2.33 0.00 0.00 43.42 41.17 1hxb n LEU 5 CO 0.54 1.15 0.54 -0.50 -1.33 0.00 0.00 177.39 177.80 1hxb h TRP 6 N 1.12 0.00 -1.80 -1.77 4.06 -2.07 -3.44 115.95 112.05 1hxb h TRP 6 Ca 0.32 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.68 1hxb h TRP 6 Cb 2.00 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 30.05 1hxb h TRP 6 CO 1.17 0.56 -0.60 -0.65 -3.56 0.00 0.00 178.44 175.36 1hxb s GLN 7 N -3.58 2.05 0.21 0.49 -1.52 -1.26 -5.10 119.66 110.95 1hxb s GLN 7 Ca -0.01 -1.87 -0.31 0.00 -1.95 0.00 0.00 55.36 51.23 1hxb s GLN 7 Cb 0.12 -1.85 -0.11 0.00 -0.22 0.00 0.00 33.01 30.95 1hxb s GLN 7 CO 0.74 0.05 1.59 1.03 -0.25 0.00 0.00 175.29 178.45 1hxb s ARG 8 N -3.74 4.18 -1.21 2.91 0.52 -1.26 -4.87 118.95 115.49 1hxb s ARG 8 Ca 0.36 2.45 -0.20 0.00 -0.52 0.00 0.00 55.73 57.82 1hxb s ARG 8 Cb 0.03 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 1hxb s ARG 8 CO 0.19 -0.61 1.88 -0.35 0.02 0.00 0.00 175.30 176.43 1hxb n PRO 9 N 3.33 2.26 -3.34 3.54 -0.04 -1.26 -4.92 135.00 134.56 1hxb n PRO 9 Ca 0.12 -2.71 -0.39 0.00 -0.04 0.00 0.00 63.50 60.48 1hxb n PRO 9 Cb 0.38 -3.54 -0.08 0.00 -0.04 0.00 0.00 33.50 30.22 1hxb n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hxb s LEU 10 N 6.99 4.11 0.28 1.53 1.43 -1.26 -0.11 118.68 131.66 1hxb s LEU 10 Ca 0.61 0.49 0.11 0.00 -1.03 0.00 0.00 54.13 54.31 1hxb s LEU 10 Cb 0.04 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 1hxb s LEU 10 CO 0.10 -0.15 -0.16 0.68 0.23 0.00 0.00 176.35 177.05 1hxb s VAL 11 N 1.68 2.61 -0.25 -1.59 -7.23 0.11 -4.91 120.40 110.82 1hxb s VAL 11 Ca 0.19 -2.32 -0.27 0.00 -1.81 0.00 0.00 61.98 57.78 1hxb s VAL 11 Cb -0.15 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1hxb s VAL 11 CO 0.09 -0.38 0.93 -0.89 -0.31 0.00 0.00 175.10 174.54 1hxb s THR 12 N -2.49 4.74 0.07 5.32 2.01 -1.26 -0.44 115.64 123.59 1hxb s THR 12 Ca 0.30 1.74 0.02 0.00 0.31 0.00 0.00 61.69 64.06 1hxb s THR 12 Cb -0.05 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1hxb s THR 12 CO 0.16 -0.17 0.11 0.27 -0.69 0.00 0.00 174.62 174.30 1hxb s ILE 13 N 3.07 4.75 -0.20 1.82 -4.36 0.17 -1.45 121.20 125.00 1hxb s ILE 13 Ca 0.39 -0.65 -0.02 0.00 -0.26 0.00 0.00 60.65 60.12 1hxb s ILE 13 Cb -0.15 -3.29 0.00 0.00 1.25 0.00 0.00 42.46 40.28 1hxb s ILE 13 CO 0.08 0.15 -0.12 -0.75 0.24 0.00 0.00 174.94 174.54 1hxb s LYS 14 N -2.36 3.20 -0.05 0.37 2.20 -0.53 -0.71 119.74 121.85 1hxb s LYS 14 Ca 0.30 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1hxb s LYS 14 Cb -0.12 -2.80 0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1hxb s LYS 14 CO 0.23 -0.20 0.11 -1.50 -0.36 0.00 0.00 175.35 173.63 1hxb s ILE 15 N 1.38 -0.05 -1.38 5.43 2.07 0.36 -0.90 121.20 128.11 1hxb s ILE 15 Ca 0.05 0.19 -0.05 0.00 -1.41 0.00 0.00 60.65 59.44 1hxb s ILE 15 Cb -0.14 -0.20 0.02 0.00 0.13 0.00 0.00 42.46 42.28 1hxb s ILE 15 CO -0.08 0.08 0.36 0.61 -1.91 0.00 0.00 174.94 174.00 1hxb n GLY 16 N 4.20 -0.50 0.99 1.50 0.00 -1.26 -1.43 105.19 108.69 1hxb n GLY 16 Ca -0.27 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1hxb n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxb n GLY 17 N -1.19 3.18 3.85 -0.02 0.00 -1.26 -5.02 105.19 104.73 1hxb n GLY 17 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1hxb n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hxb s GLN 18 N -0.45 3.86 -0.18 1.61 -0.21 -0.51 -5.09 119.66 118.69 1hxb s GLN 18 Ca 0.00 0.33 -0.15 0.00 0.02 0.00 0.00 55.36 55.56 1hxb s GLN 18 Cb 0.00 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 1hxb s GLN 18 CO 0.00 0.61 0.35 -0.51 -2.12 0.00 0.00 175.29 173.62 1hxb s LEU 19 N -1.54 4.19 0.26 2.90 1.43 -1.26 -0.48 118.68 124.18 1hxb s LEU 19 Ca 0.29 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1hxb s LEU 19 Cb -0.15 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1hxb s LEU 19 CO 0.16 0.00 0.10 -0.54 0.23 0.00 0.00 176.35 176.31 1hxb s LYS 20 N 0.92 1.41 -0.11 1.70 -0.14 0.12 -4.99 119.74 118.65 1hxb s LYS 20 Ca 0.18 -1.76 -0.01 0.00 -1.36 0.00 0.00 55.97 53.01 1hxb s LYS 20 Cb -0.14 -0.22 -0.03 0.00 -1.68 0.00 0.00 37.83 35.76 1hxb s LYS 20 CO 0.06 -0.31 -0.05 -1.21 -0.76 0.00 0.00 175.35 173.09 1hxb s GLU 21 N -4.03 3.18 0.09 1.68 2.02 -1.26 0.43 118.70 120.81 1hxb s GLU 21 Ca 0.38 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.89 1hxb s GLU 21 Cb 0.08 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.52 1hxb s GLU 21 CO 0.14 0.48 -0.11 0.00 0.02 0.00 0.00 175.26 175.79 1hxb s ALA 22 N -0.31 1.12 -0.16 5.21 0.00 0.41 -4.54 121.76 123.49 1hxb s ALA 22 Ca 0.05 -1.15 -0.22 0.00 0.00 0.00 0.00 51.96 50.63 1hxb s ALA 22 Cb -0.13 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1hxb s ALA 22 CO 0.02 -0.00 0.69 -1.17 0.00 0.00 0.00 175.76 175.30 1hxb s LEU 23 N -2.32 4.19 -0.53 0.00 2.96 0.82 -0.71 118.68 123.09 1hxb s LEU 23 Ca 0.04 0.99 -0.27 0.00 -0.22 0.00 0.00 54.13 54.67 1hxb s LEU 23 Cb -0.04 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 1hxb s LEU 23 CO 0.01 -0.27 1.75 -0.76 -1.32 0.00 0.00 176.35 175.76 1hxb s LEU 24 N 1.72 3.37 -0.38 -0.68 1.43 0.85 -0.76 118.68 124.22 1hxb s LEU 24 Ca 0.33 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.98 1hxb s LEU 24 Cb -0.16 -2.88 0.10 0.00 0.03 0.00 0.00 46.19 43.28 1hxb s LEU 24 CO 0.12 -2.08 0.15 -0.62 0.23 0.00 0.00 176.35 174.16 1hxb s ASP 25 N 6.85 5.12 0.56 2.29 -1.08 -0.66 -4.78 116.67 124.97 1hxb s ASP 25 Ca 0.67 -1.99 0.31 0.00 -0.52 0.00 0.00 52.55 51.02 1hxb s ASP 25 Cb -0.15 -1.78 1.66 0.00 -1.46 0.00 0.00 42.92 41.20 1hxb s ASP 25 CO 0.25 -0.48 2.15 0.71 0.52 0.00 0.00 175.17 178.31 1hxb h THR 26 N 6.43 0.44 -0.21 1.71 1.35 -1.94 -2.92 112.91 117.76 1hxb h THR 26 Ca -0.12 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1hxb h THR 26 Cb 1.04 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1hxb h THR 26 CO 0.65 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 1hxb n GLY 27 N -0.82 0.95 3.23 5.82 0.00 -1.26 -4.78 105.19 108.34 1hxb n GLY 27 Ca -0.02 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1hxb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxb s ALA 28 N -1.63 2.44 0.12 4.61 0.00 -1.10 -4.99 121.76 121.20 1hxb s ALA 28 Ca 0.17 -1.08 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 1hxb s ALA 28 Cb 0.11 -1.19 -0.12 0.00 0.00 0.00 0.00 23.12 21.92 1hxb s ALA 28 CO 0.08 -0.08 1.33 -0.44 0.00 0.00 0.00 175.76 176.65 1hxb h ASP 29 N 7.40 0.85 -1.98 0.00 3.32 -1.88 0.34 116.42 124.47 1hxb h ASP 29 Ca -0.34 -0.57 -0.47 0.00 0.02 0.00 0.00 57.03 55.67 1hxb h ASP 29 Cb 1.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 1hxb h ASP 29 CO 0.57 1.36 -0.42 -1.81 -1.72 0.00 0.00 179.24 177.22 1hxb s ASP 30 N -7.09 5.84 -0.23 6.45 1.01 -1.26 -2.04 116.67 119.33 1hxb s ASP 30 Ca -0.09 -0.20 -0.12 0.00 0.71 0.00 0.00 52.55 52.85 1hxb s ASP 30 Cb 0.09 -1.37 -0.05 0.00 1.01 0.00 0.00 42.92 42.61 1hxb s ASP 30 CO 0.89 -0.25 0.22 -0.89 0.21 0.00 0.00 175.17 175.35 1hxb s THR 31 N -2.15 5.32 -0.17 -1.27 2.01 -1.26 -3.00 115.64 115.11 1hxb s THR 31 Ca 0.39 0.31 -0.00 0.00 0.31 0.00 0.00 61.69 62.70 1hxb s THR 31 Cb -0.08 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 68.91 1hxb s THR 31 CO 0.29 0.32 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.76 1hxb s VAL 32 N 1.17 1.30 0.11 3.82 1.01 -0.89 -1.39 120.40 125.54 1hxb s VAL 32 Ca 0.10 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1hxb s VAL 32 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1hxb s VAL 32 CO 0.06 0.18 0.11 -0.76 0.00 0.00 0.00 175.10 174.69 1hxb s LEU 33 N 1.56 3.84 0.68 3.92 1.43 0.71 -2.03 118.68 128.78 1hxb s LEU 33 Ca 0.01 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 1hxb s LEU 33 Cb -0.15 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1hxb s LEU 33 CO -0.08 0.13 1.20 -1.83 0.23 0.00 0.00 176.35 176.00 1hxb s GLU 34 N -2.70 2.48 -0.42 1.70 -1.05 -1.26 -1.22 118.70 116.23 1hxb s GLU 34 Ca 0.30 1.76 -0.42 0.00 -0.15 0.00 0.00 54.97 56.46 1hxb s GLU 34 Cb -0.11 -1.87 -0.17 0.00 -0.44 0.00 0.00 34.13 31.53 1hxb s GLU 34 CO 0.23 -1.58 1.95 -1.91 0.95 0.00 0.00 175.26 174.90 1hxb n GLU 35 N -2.31 0.48 -4.00 -4.83 4.07 -1.14 -4.62 120.64 108.29 1hxb n GLU 35 Ca 0.13 0.15 -0.10 0.00 -0.06 0.00 0.00 57.16 57.29 1hxb n GLU 35 Cb 0.50 -1.83 -0.07 0.00 -0.06 0.00 0.00 31.44 29.97 1hxb n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hxb s MET 36 N 4.85 1.14 -0.67 5.31 0.23 -1.26 -5.06 119.30 123.84 1hxb s MET 36 Ca 1.10 -1.23 -0.26 0.00 -1.03 0.00 0.00 55.69 54.26 1hxb s MET 36 Cb -1.27 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 32.36 1hxb s MET 36 CO 0.66 -0.41 1.86 0.45 -2.03 0.00 0.00 175.02 175.55 1hxb s SER 37 N -2.99 5.28 -0.03 -1.18 0.15 -1.26 -5.03 113.70 108.65 1hxb s SER 37 Ca 0.19 0.12 0.07 0.00 0.70 0.00 0.00 55.95 57.04 1hxb s SER 37 Cb 0.04 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1hxb s SER 37 CO 0.01 -2.42 -0.25 -0.76 1.20 0.00 0.00 173.24 171.02 1hxb s LEU 38 N 9.12 2.05 -0.07 3.45 1.43 -1.26 -4.94 118.68 128.47 1hxb s LEU 38 Ca 0.66 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 1hxb s LEU 38 Cb -0.11 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1hxb s LEU 38 CO 0.16 0.29 1.28 -2.16 0.23 0.00 0.00 176.35 176.16 1hxb s PRO 39 N -0.49 4.30 0.00 1.29 0.05 -1.26 -4.90 135.00 133.98 1hxb s PRO 39 Ca 0.07 1.76 0.00 0.00 0.05 0.00 0.00 61.00 62.88 1hxb s PRO 39 Cb -0.10 -3.63 0.00 0.00 0.05 0.00 0.00 34.50 30.82 1hxb s PRO 39 CO -0.00 -0.56 0.00 0.41 0.05 0.00 0.00 177.00 176.90 1hxb n GLY 40 N 3.52 0.33 3.67 0.56 0.00 -1.26 -5.00 105.19 107.02 1hxb n GLY 40 Ca 0.12 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1hxb n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hxb s ARG 41 N 0.00 4.31 0.02 1.61 3.00 -1.26 -5.08 118.95 121.55 1hxb s ARG 41 Ca 0.00 1.00 0.02 0.00 0.00 0.00 0.00 55.73 56.75 1hxb s ARG 41 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 34.95 31.37 1hxb s ARG 41 CO 0.00 -0.29 -0.07 1.67 0.00 0.00 0.00 175.30 176.61 1hxb s TRP 42 N 2.01 0.59 0.15 -0.53 1.48 -1.26 -4.58 118.94 116.80 1hxb s TRP 42 Ca 0.38 -0.32 0.04 0.00 -1.06 0.00 0.00 56.10 55.14 1hxb s TRP 42 Cb -0.17 -0.36 -0.04 0.00 -1.16 0.00 0.00 33.47 31.75 1hxb s TRP 42 CO 0.13 -0.05 0.16 0.15 -4.06 0.00 0.00 176.95 173.28 1hxb s LYS 43 N -0.95 3.01 0.13 3.25 1.02 -0.07 -4.82 119.74 121.31 1hxb s LYS 43 Ca -0.05 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 54.85 1hxb s LYS 43 Cb -0.07 -2.72 -0.07 0.00 -0.52 0.00 0.00 37.83 34.46 1hxb s LYS 43 CO 0.00 0.50 1.17 -2.14 -0.92 0.00 0.00 175.35 173.96 1hxb s PRO 44 N -3.05 4.49 -0.03 -1.68 0.02 -1.26 -0.43 135.00 133.06 1hxb s PRO 44 Ca 0.32 1.79 -0.10 0.00 0.02 0.00 0.00 61.00 63.02 1hxb s PRO 44 Cb -0.10 -3.30 0.02 0.00 0.02 0.00 0.00 34.50 31.13 1hxb s PRO 44 CO 0.24 -0.11 0.23 0.21 -0.33 0.00 0.00 177.00 177.24 1hxb s LYS 45 N 0.27 0.49 -0.11 5.54 2.20 0.07 -4.88 119.74 123.33 1hxb s LYS 45 Ca 0.54 -0.12 0.02 0.00 -0.36 0.00 0.00 55.97 56.05 1hxb s LYS 45 Cb -0.30 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 1hxb s LYS 45 CO 0.33 -0.11 -0.16 -1.64 -0.36 0.00 0.00 175.35 173.41 1hxb s MET 46 N -0.93 3.11 0.22 4.03 -1.94 -1.26 -0.12 119.30 122.41 1hxb s MET 46 Ca -0.10 -0.73 0.10 0.00 -1.71 0.00 0.00 55.69 53.25 1hxb s MET 46 Cb -0.05 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.24 1hxb s MET 46 CO 0.02 0.30 -0.19 0.96 -0.01 0.00 0.00 175.02 176.10 1hxb s ILE 47 N 0.11 2.12 0.29 2.53 -4.36 0.36 -4.97 121.20 117.28 1hxb s ILE 47 Ca -0.07 -2.20 0.11 0.00 -0.26 0.00 0.00 60.65 58.23 1hxb s ILE 47 Cb -0.15 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 1hxb s ILE 47 CO 0.05 -0.39 -0.16 -0.83 0.24 0.00 0.00 174.94 173.85 1hxb s GLY 48 N -3.15 1.90 0.00 6.27 0.00 -1.26 -0.93 107.32 110.14 1hxb s GLY 48 Ca 0.24 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1hxb s GLY 48 CO 0.10 -1.95 0.00 0.61 0.00 0.00 0.00 173.10 171.87 1hxb n GLY 49 N -0.68 3.12 3.77 0.20 0.00 -0.17 -5.00 105.19 106.43 1hxb n GLY 49 Ca -0.05 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1hxb n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hxb s ILE 50 N -2.81 2.27 0.00 -0.61 1.01 -1.26 -2.42 121.20 117.38 1hxb s ILE 50 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1hxb s ILE 50 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1hxb s ILE 50 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1hxb n GLY 51 N 0.59 1.84 0.00 6.18 0.00 -1.26 -4.90 105.19 107.63 1hxb n GLY 51 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1hxb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxb n GLY 52 N 0.00 0.22 3.63 -0.02 0.00 -1.01 -5.11 105.19 102.90 1hxb n GLY 52 Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 1hxb n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hxb s PHE 53 N -4.00 2.92 0.19 1.61 -0.71 -1.26 -1.00 117.98 115.73 1hxb s PHE 53 Ca 0.00 -0.04 0.09 0.00 -1.04 0.00 0.00 56.93 55.95 1hxb s PHE 53 Cb 0.00 -1.57 -0.04 0.00 -1.21 0.00 0.00 43.02 40.20 1hxb s PHE 53 CO 0.00 0.42 -0.19 0.96 -1.34 0.00 0.00 175.22 175.07 1hxb s ILE 54 N -1.13 1.97 -0.23 -4.49 -4.36 -0.11 -4.97 121.20 107.87 1hxb s ILE 54 Ca 0.20 -2.02 -0.11 0.00 -0.26 0.00 0.00 60.65 58.46 1hxb s ILE 54 Cb -0.11 -1.96 -0.05 0.00 1.25 0.00 0.00 42.46 41.59 1hxb s ILE 54 CO 0.12 -0.32 0.18 -0.75 0.24 0.00 0.00 174.94 174.41 1hxb s LYS 55 N -2.95 4.09 0.18 0.37 2.20 -1.26 -0.49 119.74 121.89 1hxb s LYS 55 Ca 0.19 -0.21 0.07 0.00 -0.36 0.00 0.00 55.97 55.66 1hxb s LYS 55 Cb -0.05 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1hxb s LYS 55 CO 0.08 0.07 -0.14 0.14 -0.36 0.00 0.00 175.35 175.14 1hxb s VAL 56 N 1.03 1.61 -0.25 4.02 -7.23 0.82 -4.51 120.40 115.90 1hxb s VAL 56 Ca 0.09 -2.10 -0.16 0.00 -1.81 0.00 0.00 61.98 58.00 1hxb s VAL 56 Cb -0.13 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1hxb s VAL 56 CO 0.04 -0.57 0.44 -0.13 -0.31 0.00 0.00 175.10 174.57 1hxb s ARG 57 N -3.45 4.08 -0.28 4.82 0.52 0.13 -0.75 118.95 124.02 1hxb s ARG 57 Ca 0.19 0.19 -0.22 0.00 -0.52 0.00 0.00 55.73 55.38 1hxb s ARG 57 Cb -0.01 -3.62 -0.01 0.00 0.52 0.00 0.00 34.95 31.83 1hxb s ARG 57 CO 0.05 -0.24 0.71 -1.14 0.02 0.00 0.00 175.30 174.70 1hxb s GLN 58 N 1.96 4.01 -0.18 3.54 0.74 0.43 -0.88 119.66 129.28 1hxb s GLN 58 Ca 0.18 0.54 -0.03 0.00 0.05 0.00 0.00 55.36 56.10 1hxb s GLN 58 Cb -0.15 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.24 1hxb s GLN 58 CO 0.09 -0.56 -0.06 0.71 -0.55 0.00 0.00 175.29 174.93 1hxb s TYR 59 N 2.72 2.95 0.36 1.67 1.51 -0.35 -0.89 117.35 125.32 1hxb s TYR 59 Ca 0.29 -0.67 0.07 0.00 -1.01 0.00 0.00 57.07 55.75 1hxb s TYR 59 Cb -0.15 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 1hxb s TYR 59 CO 0.11 -0.32 0.46 -0.51 -1.11 0.00 0.00 175.55 174.17 1hxb s ASP 60 N 0.92 5.71 -1.33 2.29 1.01 -1.26 -0.91 116.67 123.10 1hxb s ASP 60 Ca -0.01 -0.34 -0.07 0.00 0.71 0.00 0.00 52.55 52.84 1hxb s ASP 60 Cb -0.15 -1.00 0.05 0.00 1.01 0.00 0.00 42.92 42.84 1hxb s ASP 60 CO 0.01 -0.52 0.47 0.00 0.21 0.00 0.00 175.17 175.35 1hxb n GLN 61 N -1.64 -3.65 -2.84 8.23 1.13 -1.06 -4.90 117.38 112.65 1hxb n GLN 61 Ca 0.02 0.59 -0.40 0.00 -1.94 0.00 0.00 57.00 55.26 1hxb n GLN 61 Cb 0.59 -5.32 -0.05 0.00 0.11 0.00 0.00 30.24 25.57 1hxb n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hxb s ILE 62 N -2.96 4.55 0.12 5.09 -1.09 -0.52 -4.76 121.20 121.63 1hxb s ILE 62 Ca 0.34 1.88 -0.29 0.00 -2.23 0.00 0.00 60.65 60.36 1hxb s ILE 62 Cb -0.17 -4.23 -0.06 0.00 -1.58 0.00 0.00 42.46 36.41 1hxb s ILE 62 CO 0.42 0.36 0.90 -0.22 -1.23 0.00 0.00 174.94 175.18 1hxb s LEU 63 N -0.19 4.52 -0.01 2.97 2.96 -1.26 -2.16 118.68 125.50 1hxb s LEU 63 Ca 0.42 1.73 0.02 0.00 -0.22 0.00 0.00 54.13 56.09 1hxb s LEU 63 Cb -0.22 -3.49 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 1hxb s LEU 63 CO 0.27 0.01 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.62 1hxb s ILE 64 N -0.30 0.54 -0.41 6.68 1.01 -0.19 -4.46 121.20 124.07 1hxb s ILE 64 Ca 0.43 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 1hxb s ILE 64 Cb -0.23 -0.46 0.09 0.00 0.01 0.00 0.00 42.46 41.87 1hxb s ILE 64 CO 0.28 0.16 0.22 -1.61 0.00 0.00 0.00 174.94 173.99 1hxb s GLU 65 N -0.09 2.38 -0.33 2.79 2.02 -0.08 -1.92 118.70 123.47 1hxb s GLU 65 Ca 0.02 -1.58 -0.20 0.00 0.02 0.00 0.00 54.97 53.23 1hxb s GLU 65 Cb -0.03 -3.66 -0.00 0.00 0.10 0.00 0.00 34.13 30.53 1hxb s GLU 65 CO -0.00 -0.98 0.60 0.42 0.02 0.00 0.00 175.26 175.32 1hxb s ILE 66 N 1.31 4.94 -1.49 -1.63 1.01 -0.02 -1.45 121.20 123.87 1hxb s ILE 66 Ca 0.04 0.63 -0.05 0.00 0.00 0.00 0.00 60.65 61.26 1hxb s ILE 66 Cb -0.23 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.24 1hxb s ILE 66 CO -0.01 -0.21 0.13 0.00 0.00 0.00 0.00 174.94 174.85 1hxb n GLY 68 N -2.48 0.35 3.57 0.00 0.00 -1.26 -5.02 105.19 100.35 1hxb n GLY 68 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1hxb n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hxb s HIS 69 N -1.76 3.06 0.11 1.61 4.02 0.13 -5.11 115.29 117.35 1hxb s HIS 69 Ca 0.00 -0.09 -0.15 0.00 1.02 0.00 0.00 55.06 55.84 1hxb s HIS 69 Cb 0.00 -1.88 -0.07 0.00 -1.02 0.00 0.00 32.58 29.61 1hxb s HIS 69 CO 0.00 0.17 0.52 0.15 1.02 0.00 0.00 174.74 176.60 1hxb s LYS 70 N -0.16 3.99 0.01 1.40 1.02 -1.26 -0.84 119.74 123.90 1hxb s LYS 70 Ca 0.04 0.49 -0.25 0.00 0.02 0.00 0.00 55.97 56.26 1hxb s LYS 70 Cb -0.13 -3.03 0.06 0.00 -0.52 0.00 0.00 37.83 34.21 1hxb s LYS 70 CO 0.02 0.54 0.57 0.00 -0.92 0.00 0.00 175.35 175.57 1hxb s ALA 71 N -1.34 -1.47 -0.07 5.17 0.00 -0.81 -4.81 121.76 118.43 1hxb s ALA 71 Ca 0.34 0.87 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1hxb s ALA 71 Cb -0.16 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1hxb s ALA 71 CO 0.18 -0.44 -0.15 0.42 0.00 0.00 0.00 175.76 175.77 1hxb s ILE 72 N -1.87 1.36 0.09 0.00 1.01 -1.26 -1.02 121.20 119.52 1hxb s ILE 72 Ca -0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 1hxb s ILE 72 Cb -0.01 -1.21 0.04 0.00 0.01 0.00 0.00 42.46 41.30 1hxb s ILE 72 CO 0.03 0.40 0.61 0.61 0.00 0.00 0.00 174.94 176.60 1hxb n GLY 73 N 3.62 0.84 3.71 6.18 0.00 -0.92 -4.90 105.19 113.72 1hxb n GLY 73 Ca -0.21 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1hxb n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hxb s THR 74 N -2.25 4.88 -0.04 2.61 2.01 -1.26 -1.43 115.64 120.14 1hxb s THR 74 Ca 0.14 2.02 0.05 0.00 0.31 0.00 0.00 61.69 64.21 1hxb s THR 74 Cb -0.02 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1hxb s THR 74 CO 0.03 0.15 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.22 1hxb s VAL 75 N 1.08 1.63 -0.10 3.82 1.01 -0.09 -4.53 120.40 123.21 1hxb s VAL 75 Ca 0.51 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1hxb s VAL 75 Cb -0.21 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1hxb s VAL 75 CO 0.27 0.46 -0.04 -0.76 0.00 0.00 0.00 175.10 175.03 1hxb s LEU 76 N -0.13 3.33 -0.11 3.92 1.43 -0.48 -1.22 118.68 125.43 1hxb s LEU 76 Ca -0.01 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1hxb s LEU 76 Cb -0.11 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.36 1hxb s LEU 76 CO 0.02 0.31 -0.15 -0.69 0.23 0.00 0.00 176.35 176.07 1hxb s VAL 77 N -0.47 1.49 0.00 -1.59 1.01 -0.06 -0.21 120.40 120.57 1hxb s VAL 77 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1hxb s VAL 77 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1hxb s VAL 77 CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1hxb n GLY 78 N 4.16 1.11 3.01 4.51 0.00 -0.36 -0.69 105.19 116.94 1hxb n GLY 78 Ca -0.19 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1hxb n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hxb n PRO 79 N 0.00 2.37 -4.28 1.61 -0.04 -1.26 -2.87 135.00 130.53 1hxb n PRO 79 Ca 0.00 -2.43 -0.34 0.00 -0.04 0.00 0.00 63.50 60.69 1hxb n PRO 79 Cb 0.00 -3.23 -0.09 0.00 -0.04 0.00 0.00 33.50 30.15 1hxb n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hxb s THR 80 N 4.47 4.43 0.20 0.52 -1.32 -1.26 -5.03 115.64 117.65 1hxb s THR 80 Ca 0.53 -0.32 -0.08 0.00 -1.21 0.00 0.00 61.69 60.60 1hxb s THR 80 Cb 0.12 -2.92 0.10 0.00 -1.51 0.00 0.00 72.50 68.29 1hxb s THR 80 CO 0.01 0.51 1.69 -0.65 -2.21 0.00 0.00 174.62 173.98 1hxb h PRO 81 N 4.79 1.11 -5.69 7.08 0.11 -1.97 -3.42 132.00 134.01 1hxb h PRO 81 Ca -0.50 -0.30 -0.50 0.00 0.11 0.00 0.00 66.00 64.81 1hxb h PRO 81 Cb 1.19 -0.13 -0.24 0.00 0.11 0.00 0.00 31.00 31.93 1hxb h PRO 81 CO 0.56 1.02 -0.81 0.14 -0.21 0.00 0.00 178.00 178.70 1hxb s VAL 82 N -5.19 1.37 0.07 3.15 -7.23 -1.26 -5.04 120.40 106.27 1hxb s VAL 82 Ca -0.12 -1.19 -0.31 0.00 -1.81 0.00 0.00 61.98 58.56 1hxb s VAL 82 Cb 0.14 -1.24 -0.07 0.00 0.56 0.00 0.00 36.38 35.78 1hxb s VAL 82 CO 0.85 0.02 1.39 0.20 -0.31 0.00 0.00 175.10 177.25 1hxb s ASN 83 N -1.35 6.85 -0.14 4.85 0.01 -1.26 -4.72 114.94 119.17 1hxb s ASN 83 Ca 0.04 2.24 0.02 0.00 -0.71 0.00 0.00 52.86 54.45 1hxb s ASN 83 Cb -0.09 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1hxb s ASN 83 CO 0.02 -0.67 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.10 1hxb s ILE 84 N 1.57 2.04 -0.34 0.60 1.01 -0.86 -0.13 121.20 125.09 1hxb s ILE 84 Ca 0.64 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 1hxb s ILE 84 Cb -0.35 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1hxb s ILE 84 CO 0.29 0.55 0.45 -0.63 0.00 0.00 0.00 174.94 175.60 1hxb s ILE 85 N 0.87 5.08 0.23 2.92 -1.09 0.06 -2.09 121.20 127.18 1hxb s ILE 85 Ca -0.06 0.29 0.02 0.00 -2.23 0.00 0.00 60.65 58.67 1hxb s ILE 85 Cb -0.15 -3.89 0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1hxb s ILE 85 CO -0.03 -0.13 0.31 0.61 -1.23 0.00 0.00 174.94 174.48 1hxb n GLY 86 N 4.82 1.46 0.25 6.18 0.00 -1.16 -1.65 105.19 115.09 1hxb n GLY 86 Ca -0.06 -2.09 0.15 0.00 0.00 0.00 0.00 46.02 44.01 1hxb n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hxb h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.10 -1.91 114.38 117.06 1hxb h ARG 87 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1hxb h ARG 87 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1hxb h ARG 87 CO 0.13 0.05 -0.05 -2.95 -1.07 0.00 0.00 179.97 176.09 1hxb h ASN 88 N 0.00 0.00 0.03 7.04 -1.07 -1.68 -2.92 115.58 116.99 1hxb h ASN 88 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.01 1hxb h ASN 88 Cb 0.66 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.85 1hxb h ASN 88 CO 0.01 0.05 -2.34 0.18 0.07 0.00 0.00 177.43 175.40 1hxb n LEU 89 N -4.15 0.06 0.28 6.14 4.77 -1.03 -4.46 117.00 118.60 1hxb n LEU 89 Ca -0.03 0.03 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1hxb n LEU 89 Cb 0.13 0.47 0.80 0.00 -2.33 0.00 0.00 43.42 42.49 1hxb n LEU 89 CO 0.32 0.48 1.02 -0.07 -1.33 0.00 0.00 177.39 177.80 1hxb h LEU 90 N 0.00 0.00 -0.79 2.23 3.38 -1.17 -1.74 115.31 117.22 1hxb h LEU 90 Ca -0.52 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.33 1hxb h LEU 90 Cb 2.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.94 1hxb h LEU 90 CO 0.03 0.08 -0.55 0.71 0.09 0.00 0.00 178.44 178.80 1hxb h THR 91 N 0.00 1.28 -0.29 0.22 1.35 -1.75 -1.17 112.91 112.55 1hxb h THR 91 Ca -0.00 -1.97 -0.18 0.00 -0.55 0.00 0.00 66.41 63.71 1hxb h THR 91 Cb 0.28 2.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1hxb h THR 91 CO 0.01 0.54 -0.53 1.56 -0.25 0.00 0.00 175.52 176.85 1hxb h GLN 92 N 0.00 0.85 -0.12 4.72 4.20 -1.55 -2.98 115.11 120.23 1hxb h GLN 92 Ca -0.01 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.18 1hxb h GLN 92 Cb 1.05 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1hxb h GLN 92 CO 0.07 1.16 0.00 0.44 -0.67 0.00 0.00 178.83 179.84 1hxb n ILE 93 N -4.01 0.16 -2.29 2.54 -5.35 -1.19 -4.92 119.36 104.31 1hxb n ILE 93 Ca -0.04 -0.17 -0.11 0.00 -0.27 0.00 0.00 62.75 62.16 1hxb n ILE 93 Cb 0.62 0.07 -0.00 0.00 -1.74 0.00 0.00 39.64 38.59 1hxb n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hxb n GLY 94 N 0.73 -0.07 3.66 3.28 0.00 -1.12 -5.00 105.19 106.68 1hxb n GLY 94 Ca 0.06 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1hxb n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxb s THR 96 N 3.27 3.04 0.04 0.00 -4.23 -1.26 -4.76 115.64 111.73 1hxb s THR 96 Ca 0.48 -1.78 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 1hxb s THR 96 Cb -0.18 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1hxb s THR 96 CO 0.10 -0.15 0.36 -0.76 -0.54 0.00 0.00 174.62 173.63 1hxb s LEU 97 N -2.91 4.38 -0.02 4.79 1.43 -1.26 -5.09 118.68 120.00 1hxb s LEU 97 Ca 0.25 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 1hxb s LEU 97 Cb -0.08 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.36 1hxb s LEU 97 CO 0.15 0.23 -0.03 0.20 0.23 0.00 0.00 176.35 177.13 1hxb s ASN 98 N -1.58 0.61 0.00 2.29 0.01 -1.26 -5.28 114.94 109.73 1hxb s ASN 98 Ca 0.29 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 1hxb s ASN 98 Cb -0.14 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.29 1hxb s ASN 98 CO 0.16 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.94