#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hb3 s GLN 2 N 0.00 2.95 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.30 2hb3 s GLN 2 Ca 0.00 -0.94 -0.08 0.00 0.05 0.00 0.00 55.36 54.39 2hb3 s GLN 2 Cb 0.00 -3.28 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 2hb3 s GLN 2 CO 0.00 -0.46 0.08 0.42 -0.55 0.00 0.00 175.29 174.77 2hb3 s ILE 3 N 1.44 4.50 0.71 -2.34 1.01 -1.26 -5.09 121.20 120.18 2hb3 s ILE 3 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 2hb3 s ILE 3 Cb -0.17 -3.09 0.05 0.00 0.01 0.00 0.00 42.46 39.25 2hb3 s ILE 3 CO 0.01 0.36 1.06 0.42 0.00 0.00 0.00 174.94 176.78 2hb3 s THR 4 N 1.34 2.65 -0.19 2.92 -4.23 -1.26 -4.99 115.64 111.88 2hb3 s THR 4 Ca 0.05 -0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 2hb3 s THR 4 Cb -0.15 -3.16 0.43 0.00 1.34 0.00 0.00 72.50 70.96 2hb3 s THR 4 CO 0.04 -0.19 1.32 0.18 -0.54 0.00 0.00 174.62 175.43 2hb3 n LEU 5 N -2.99 3.30 0.22 4.79 4.77 -1.26 -4.47 117.00 121.37 2hb3 n LEU 5 Ca 0.07 -2.99 0.06 0.00 -0.03 0.00 0.00 56.01 53.12 2hb3 n LEU 5 Cb 0.60 -0.49 0.55 0.00 -2.33 0.00 0.00 43.42 41.75 2hb3 n LEU 5 CO 0.55 0.68 0.98 -0.50 -1.33 0.00 0.00 177.39 177.77 2hb3 h TRP 6 N 1.17 0.04 -2.73 -1.77 4.06 -2.05 -3.44 115.95 111.23 2hb3 h TRP 6 Ca 0.00 -0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.47 2hb3 h TRP 6 Cb 1.25 -0.01 -0.14 0.00 -1.00 0.00 0.00 29.16 29.26 2hb3 h TRP 6 CO 0.31 0.13 -0.65 -1.59 -3.56 0.00 0.00 178.44 173.08 2hb3 s LYS 7 N -4.85 1.58 0.26 0.49 -2.85 -1.26 -5.11 119.74 107.99 2hb3 s LYS 7 Ca -0.05 -1.83 -0.31 0.00 -1.00 0.00 0.00 55.97 52.79 2hb3 s LYS 7 Cb 0.16 -1.03 -0.13 0.00 -2.06 0.00 0.00 37.83 34.78 2hb3 s LYS 7 CO 0.69 -0.05 1.51 0.54 0.10 0.00 0.00 175.35 178.14 2hb3 n ARG 8 N -0.62 2.37 -2.53 1.78 1.74 -1.26 -4.86 116.66 113.29 2hb3 n ARG 8 Ca -0.04 0.85 -0.43 0.00 -0.77 0.00 0.00 57.85 57.45 2hb3 n ARG 8 Cb 0.65 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 2hb3 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2hb3 n PRO 9 N 2.22 3.18 -3.39 5.56 -0.04 -1.26 -4.95 135.00 136.31 2hb3 n PRO 9 Ca 0.11 -3.26 -0.38 0.00 -0.04 0.00 0.00 63.50 59.93 2hb3 n PRO 9 Cb 0.34 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 2hb3 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hb3 s LEU 10 N 3.82 4.41 0.19 1.53 1.43 -1.26 -0.80 118.68 128.00 2hb3 s LEU 10 Ca 0.52 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 2hb3 s LEU 10 Cb 0.04 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 2hb3 s LEU 10 CO 0.06 0.20 0.00 0.68 0.23 0.00 0.00 176.35 177.52 2hb3 s VAL 11 N -0.48 0.76 0.03 -1.59 -7.23 0.68 -4.94 120.40 107.63 2hb3 s VAL 11 Ca 0.25 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.19 2hb3 s VAL 11 Cb -0.17 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2hb3 s VAL 11 CO 0.13 -0.44 0.73 -0.89 -0.31 0.00 0.00 175.10 174.33 2hb3 s THR 12 N -3.60 4.78 0.20 5.32 2.01 -1.26 -0.93 115.64 122.16 2hb3 s THR 12 Ca 0.25 1.56 0.10 0.00 0.31 0.00 0.00 61.69 63.91 2hb3 s THR 12 Cb 0.06 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2hb3 s THR 12 CO 0.05 0.36 -0.20 0.27 -0.69 0.00 0.00 174.62 174.42 2hb3 s ILE 13 N -0.01 2.09 -0.13 1.82 -4.36 0.27 -1.36 121.20 119.52 2hb3 s ILE 13 Ca 0.37 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 2hb3 s ILE 13 Cb -0.20 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.49 2hb3 s ILE 13 CO 0.22 -0.30 -0.18 -0.75 0.24 0.00 0.00 174.94 174.17 2hb3 s LYS 14 N -2.98 2.58 -0.08 0.37 2.20 0.02 -1.07 119.74 120.78 2hb3 s LYS 14 Ca 0.20 -0.69 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 2hb3 s LYS 14 Cb -0.06 -2.16 0.04 0.00 -1.51 0.00 0.00 37.83 34.14 2hb3 s LYS 14 CO 0.09 -0.08 0.17 -1.50 -0.36 0.00 0.00 175.35 173.68 2hb3 s ILE 15 N 1.01 -0.04 -1.64 5.43 2.07 -0.22 -1.40 121.20 126.40 2hb3 s ILE 15 Ca -0.04 0.16 -0.02 0.00 -1.41 0.00 0.00 60.65 59.33 2hb3 s ILE 15 Cb -0.15 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.17 2hb3 s ILE 15 CO -0.04 0.06 0.27 0.61 -1.91 0.00 0.00 174.94 173.93 2hb3 n GLY 16 N 4.10 -0.51 2.84 1.50 0.00 -1.26 -0.59 105.19 111.27 2hb3 n GLY 16 Ca -0.25 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2hb3 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hb3 n GLY 17 N -1.22 0.95 3.48 -0.02 0.00 -1.26 -5.02 105.19 102.09 2hb3 n GLY 17 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2hb3 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hb3 s GLN 18 N -0.02 2.54 -0.11 1.61 -0.21 0.24 -5.11 119.66 118.60 2hb3 s GLN 18 Ca 0.00 -0.69 -0.19 0.00 0.02 0.00 0.00 55.36 54.50 2hb3 s GLN 18 Cb 0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 2hb3 s GLN 18 CO 0.00 0.61 0.53 -0.51 -2.12 0.00 0.00 175.29 173.80 2hb3 s LEU 19 N -0.70 4.28 0.15 2.90 1.43 -1.26 -1.06 118.68 124.42 2hb3 s LEU 19 Ca 0.11 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 2hb3 s LEU 19 Cb -0.11 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 2hb3 s LEU 19 CO 0.01 -0.03 0.01 -0.54 0.23 0.00 0.00 176.35 176.02 2hb3 s LYS 20 N 0.70 1.01 -0.10 1.70 1.02 -0.23 -4.99 119.74 118.86 2hb3 s LYS 20 Ca 0.28 -1.48 -0.08 0.00 0.02 0.00 0.00 55.97 54.71 2hb3 s LYS 20 Cb -0.16 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 2hb3 s LYS 20 CO 0.12 -0.15 0.19 -1.21 -0.92 0.00 0.00 175.35 173.38 2hb3 s GLU 21 N -3.94 3.53 0.04 1.68 0.41 -1.26 -0.57 118.70 118.59 2hb3 s GLU 21 Ca 0.22 -0.03 -0.08 0.00 -0.41 0.00 0.00 54.97 54.67 2hb3 s GLU 21 Cb 0.06 -3.19 -0.00 0.00 -1.78 0.00 0.00 34.13 29.22 2hb3 s GLU 21 CO 0.02 0.76 0.16 0.00 -0.49 0.00 0.00 175.26 175.71 2hb3 s ALA 22 N -1.04 -0.26 -0.11 5.21 0.00 -0.11 -4.52 121.76 120.93 2hb3 s ALA 22 Ca 0.17 -0.38 -0.21 0.00 0.00 0.00 0.00 51.96 51.53 2hb3 s ALA 22 Cb -0.13 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2hb3 s ALA 22 CO 0.06 -0.35 0.61 -1.17 0.00 0.00 0.00 175.76 174.91 2hb3 s LEU 23 N -2.13 4.27 -0.45 0.00 2.96 -0.11 -0.23 118.68 122.99 2hb3 s LEU 23 Ca -0.05 0.99 -0.29 0.00 -0.22 0.00 0.00 54.13 54.57 2hb3 s LEU 23 Cb -0.01 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.79 2hb3 s LEU 23 CO -0.04 -0.11 1.20 -0.76 -1.32 0.00 0.00 176.35 175.31 2hb3 s LEU 24 N 0.97 3.65 -0.33 -0.68 1.43 0.02 -0.45 118.68 123.28 2hb3 s LEU 24 Ca 0.32 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 2hb3 s LEU 24 Cb -0.16 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.61 2hb3 s LEU 24 CO 0.14 -1.26 0.08 -0.62 0.23 0.00 0.00 176.35 174.92 2hb3 s ASP 25 N 2.73 4.41 0.51 2.29 -1.08 -0.39 -4.80 116.67 120.34 2hb3 s ASP 25 Ca 0.51 -1.97 0.33 0.00 -0.52 0.00 0.00 52.55 50.90 2hb3 s ASP 25 Cb -0.09 -1.29 1.47 0.00 -1.46 0.00 0.00 42.92 41.55 2hb3 s ASP 25 CO 0.31 -0.39 1.99 0.71 0.52 0.00 0.00 175.17 178.31 2hb3 h THR 26 N 6.50 0.00 -0.01 1.71 1.35 -1.94 -2.58 112.91 117.94 2hb3 h THR 26 Ca -0.08 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2hb3 h THR 26 Cb 1.01 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2hb3 h THR 26 CO 0.50 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 176.30 2hb3 n GLY 27 N -0.19 -0.75 3.48 5.82 0.00 -1.26 -4.82 105.19 107.47 2hb3 n GLY 27 Ca 0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2hb3 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hb3 s ALA 28 N -2.31 3.17 0.20 4.61 0.00 -0.97 -4.99 121.76 121.48 2hb3 s ALA 28 Ca 0.33 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 2hb3 s ALA 28 Cb 0.20 -1.96 0.12 0.00 0.00 0.00 0.00 23.12 21.48 2hb3 s ALA 28 CO 0.43 -0.26 1.72 -0.44 0.00 0.00 0.00 175.76 177.21 2hb3 h ASP 29 N 7.72 1.07 -3.86 0.00 3.32 -1.87 0.12 116.42 122.92 2hb3 h ASP 29 Ca -0.37 -0.23 -0.37 0.00 0.02 0.00 0.00 57.03 56.08 2hb3 h ASP 29 Cb 1.18 -0.28 -0.14 0.00 0.22 0.00 0.00 39.33 40.30 2hb3 h ASP 29 CO 0.61 1.02 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.67 2hb3 s ASP 30 N -6.43 1.85 0.02 6.45 1.01 -1.26 -2.12 116.67 116.20 2hb3 s ASP 30 Ca -0.12 -1.18 -0.28 0.00 0.71 0.00 0.00 52.55 51.69 2hb3 s ASP 30 Cb 0.15 0.00 -0.04 0.00 1.01 0.00 0.00 42.92 44.03 2hb3 s ASP 30 CO 0.85 -0.47 0.88 -0.89 0.21 0.00 0.00 175.17 175.74 2hb3 s THR 31 N -3.39 4.79 -0.08 -1.27 2.01 -1.26 -3.92 115.64 112.51 2hb3 s THR 31 Ca 0.26 1.85 -0.00 0.00 0.31 0.00 0.00 61.69 64.11 2hb3 s THR 31 Cb 0.05 -4.22 0.02 0.00 0.01 0.00 0.00 72.50 68.36 2hb3 s THR 31 CO 0.07 0.26 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.53 2hb3 s VAL 32 N 0.50 0.69 0.05 3.82 1.01 -0.12 -1.10 120.40 125.24 2hb3 s VAL 32 Ca 0.45 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.41 2hb3 s VAL 32 Cb -0.21 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2hb3 s VAL 32 CO 0.25 0.30 -0.24 -0.63 0.00 0.00 0.00 175.10 174.78 2hb3 s ILE 33 N 1.61 2.34 0.82 2.22 -1.09 0.27 -0.58 121.20 126.80 2hb3 s ILE 33 Ca 0.01 -1.36 -0.13 0.00 -2.23 0.00 0.00 60.65 56.94 2hb3 s ILE 33 Cb -0.13 -1.95 0.09 0.00 -1.58 0.00 0.00 42.46 38.90 2hb3 s ILE 33 CO -0.05 0.34 1.20 -1.61 -1.23 0.00 0.00 174.94 173.59 2hb3 s GLU 34 N -1.36 1.54 0.05 2.79 2.02 -1.25 -1.46 118.70 121.02 2hb3 s GLU 34 Ca 0.13 1.73 -0.36 0.00 0.02 0.00 0.00 54.97 56.49 2hb3 s GLU 34 Cb -0.10 -1.77 -0.15 0.00 0.10 0.00 0.00 34.13 32.21 2hb3 s GLU 34 CO 0.03 -2.28 1.54 -1.91 0.02 0.00 0.00 175.26 172.66 2hb3 n GLU 35 N -3.44 1.65 -3.51 1.61 4.07 -1.19 -4.60 120.64 115.23 2hb3 n GLU 35 Ca 0.13 0.60 -0.11 0.00 -0.06 0.00 0.00 57.16 57.72 2hb3 n GLU 35 Cb 0.51 -2.32 -0.02 0.00 -0.06 0.00 0.00 31.44 29.55 2hb3 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hb3 s MET 36 N 1.45 1.33 0.24 5.31 0.23 -1.26 -5.03 119.30 121.57 2hb3 s MET 36 Ca 0.85 -0.57 -0.28 0.00 -1.03 0.00 0.00 55.69 54.66 2hb3 s MET 36 Cb -0.83 0.58 -0.09 0.00 -1.53 0.00 0.00 34.83 32.96 2hb3 s MET 36 CO 0.46 -0.58 0.89 0.45 -2.03 0.00 0.00 175.02 174.21 2hb3 s SER 37 N -2.78 7.52 0.08 -1.18 0.15 -1.26 -5.02 113.70 111.20 2hb3 s SER 37 Ca 0.03 1.84 0.03 0.00 0.70 0.00 0.00 55.95 58.55 2hb3 s SER 37 Cb -0.01 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.69 2hb3 s SER 37 CO -0.10 0.13 -0.10 -0.76 1.20 0.00 0.00 173.24 173.61 2hb3 s LEU 38 N -1.35 2.34 0.60 3.45 1.43 -1.26 -4.94 118.68 118.95 2hb3 s LEU 38 Ca 0.41 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 2hb3 s LEU 38 Cb -0.24 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 2hb3 s LEU 38 CO 0.29 -0.22 1.03 -2.16 0.23 0.00 0.00 176.35 175.52 2hb3 s PRO 39 N -2.27 3.52 0.61 1.29 0.04 -1.26 -4.95 135.00 131.98 2hb3 s PRO 39 Ca -0.00 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2hb3 s PRO 39 Cb -0.06 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2hb3 s PRO 39 CO 0.00 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2hb3 n GLY 40 N -2.05 -1.89 3.84 0.56 0.00 -1.26 -4.98 105.19 99.41 2hb3 n GLY 40 Ca 0.07 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 2hb3 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hb3 s ARG 41 N 0.00 3.97 0.16 1.61 0.52 -1.26 -5.08 118.95 118.87 2hb3 s ARG 41 Ca 0.00 0.97 -0.07 0.00 -0.52 0.00 0.00 55.73 56.12 2hb3 s ARG 41 Cb 0.00 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 2hb3 s ARG 41 CO 0.00 -0.26 0.22 1.67 0.02 0.00 0.00 175.30 176.95 2hb3 s TRP 42 N -2.59 0.55 0.02 -0.53 1.48 -1.26 -4.46 118.94 112.16 2hb3 s TRP 42 Ca 0.59 -0.91 -0.00 0.00 -1.06 0.00 0.00 56.10 54.72 2hb3 s TRP 42 Cb -0.10 -0.19 -0.02 0.00 -1.16 0.00 0.00 33.47 32.00 2hb3 s TRP 42 CO 0.30 -0.67 -0.03 -1.59 -4.06 0.00 0.00 176.95 170.90 2hb3 s LYS 43 N -4.00 0.36 0.48 3.25 -2.85 -0.66 -4.91 119.74 111.40 2hb3 s LYS 43 Ca 0.20 -0.69 -0.20 0.00 -1.00 0.00 0.00 55.97 54.27 2hb3 s LYS 43 Cb 0.04 0.11 -0.09 0.00 -2.06 0.00 0.00 37.83 35.84 2hb3 s LYS 43 CO 0.01 -0.05 1.03 -1.25 0.10 0.00 0.00 175.35 175.19 2hb3 s PRO 44 N -1.78 3.84 0.02 1.78 0.04 -1.26 -0.41 135.00 137.23 2hb3 s PRO 44 Ca -0.13 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.11 2hb3 s PRO 44 Cb -0.08 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2hb3 s PRO 44 CO -0.02 -0.40 0.33 0.21 0.04 0.00 0.00 177.00 177.16 2hb3 s LYS 45 N -3.20 0.77 -0.09 4.56 2.20 -0.56 -4.86 119.74 118.56 2hb3 s LYS 45 Ca 0.67 -0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.96 2hb3 s LYS 45 Cb -0.16 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.49 2hb3 s LYS 45 CO 0.20 -0.24 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.12 2hb3 s MET 46 N -2.02 2.91 0.04 4.03 -1.94 -1.26 -0.69 119.30 120.37 2hb3 s MET 46 Ca -0.09 -0.78 0.05 0.00 -1.71 0.00 0.00 55.69 53.16 2hb3 s MET 46 Cb -0.03 -2.39 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 2hb3 s MET 46 CO 0.00 0.34 -0.14 0.96 -0.01 0.00 0.00 175.02 176.17 2hb3 s ILE 47 N -0.02 1.10 0.06 2.53 -4.36 -0.68 -4.97 121.20 114.85 2hb3 s ILE 47 Ca -0.06 -1.05 0.01 0.00 -0.26 0.00 0.00 60.65 59.29 2hb3 s ILE 47 Cb -0.15 -1.01 -0.03 0.00 1.25 0.00 0.00 42.46 42.52 2hb3 s ILE 47 CO 0.05 -0.04 -0.06 -0.83 0.24 0.00 0.00 174.94 174.29 2hb3 s GLY 48 N -1.25 0.53 0.00 6.27 0.00 -1.26 -0.82 107.32 110.79 2hb3 s GLY 48 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2hb3 s GLY 48 CO 0.01 -1.04 0.00 0.61 0.00 0.00 0.00 173.10 172.68 2hb3 n GLY 49 N 0.87 3.23 3.74 0.20 0.00 -0.26 -4.97 105.19 108.00 2hb3 n GLY 49 Ca -0.19 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 2hb3 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hb3 s ILE 50 N -1.26 2.43 0.00 -0.61 1.01 -1.26 -1.50 121.20 120.00 2hb3 s ILE 50 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.99 2hb3 s ILE 50 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2hb3 s ILE 50 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2hb3 n GLY 51 N 2.80 1.12 0.00 6.18 0.00 -1.26 -4.93 105.19 109.09 2hb3 n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2hb3 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hb3 n GLY 52 N -2.00 -0.24 3.61 -0.02 0.00 -0.56 -5.06 105.19 100.92 2hb3 n GLY 52 Ca 0.00 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 2hb3 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hb3 s PHE 53 N 0.00 2.72 0.10 1.61 0.40 -1.26 -1.11 117.98 120.44 2hb3 s PHE 53 Ca 0.00 -0.19 0.07 0.00 -0.60 0.00 0.00 56.93 56.21 2hb3 s PHE 53 Cb 0.00 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.18 2hb3 s PHE 53 CO 0.00 0.52 -0.16 0.96 0.70 0.00 0.00 175.22 177.24 2hb3 s ILE 54 N -1.77 1.41 0.00 0.64 -4.36 -0.00 -4.98 121.20 112.14 2hb3 s ILE 54 Ca 0.26 -1.55 -0.23 0.00 -0.26 0.00 0.00 60.65 58.88 2hb3 s ILE 54 Cb -0.09 -1.41 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 2hb3 s ILE 54 CO 0.17 -0.24 0.69 -0.75 0.24 0.00 0.00 174.94 175.05 2hb3 s LYS 55 N -2.15 4.42 0.21 0.37 2.20 -1.26 -1.69 119.74 121.84 2hb3 s LYS 55 Ca 0.05 0.91 0.03 0.00 -0.36 0.00 0.00 55.97 56.60 2hb3 s LYS 55 Cb -0.08 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 2hb3 s LYS 55 CO 0.03 0.26 -0.02 0.14 -0.36 0.00 0.00 175.35 175.40 2hb3 s VAL 56 N 0.10 1.01 -0.22 4.02 -7.23 0.13 -4.39 120.40 113.81 2hb3 s VAL 56 Ca 0.36 -2.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.39 2hb3 s VAL 56 Cb -0.19 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 2hb3 s VAL 56 CO 0.20 -0.42 0.14 -0.13 -0.31 0.00 0.00 175.10 174.58 2hb3 s ARG 57 N -3.85 4.10 -0.35 4.82 0.52 0.19 -1.50 118.95 122.89 2hb3 s ARG 57 Ca 0.26 -0.26 -0.14 0.00 -0.52 0.00 0.00 55.73 55.06 2hb3 s ARG 57 Cb 0.05 -3.47 -0.01 0.00 0.52 0.00 0.00 34.95 32.04 2hb3 s ARG 57 CO 0.07 0.16 0.31 -1.14 0.02 0.00 0.00 175.30 174.72 2hb3 s GLN 58 N 0.75 3.50 -0.17 3.54 0.74 0.45 -0.50 119.66 127.98 2hb3 s GLN 58 Ca 0.07 -0.54 -0.04 0.00 0.05 0.00 0.00 55.36 54.90 2hb3 s GLN 58 Cb -0.12 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.14 2hb3 s GLN 58 CO 0.02 -0.51 -0.02 0.71 -0.55 0.00 0.00 175.29 174.94 2hb3 s TYR 59 N 1.89 3.05 0.24 1.67 1.51 -0.49 -1.66 117.35 123.57 2hb3 s TYR 59 Ca 0.09 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 2hb3 s TYR 59 Cb -0.17 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 2hb3 s TYR 59 CO 0.11 -0.06 0.37 -0.51 -1.11 0.00 0.00 175.55 174.35 2hb3 s ASP 60 N 0.51 6.32 -1.22 2.29 1.01 -1.26 -0.85 116.67 123.47 2hb3 s ASP 60 Ca -0.02 0.11 -0.00 0.00 0.71 0.00 0.00 52.55 53.34 2hb3 s ASP 60 Cb -0.14 -1.88 0.00 0.00 1.01 0.00 0.00 42.92 41.91 2hb3 s ASP 60 CO 0.02 -0.08 0.95 0.00 0.21 0.00 0.00 175.17 176.27 2hb3 n GLN 61 N -1.38 -6.34 -4.23 8.23 6.02 -1.14 -4.92 117.38 113.63 2hb3 n GLN 61 Ca -0.09 0.81 -0.34 0.00 -0.01 0.00 0.00 57.00 57.37 2hb3 n GLN 61 Cb 0.57 -5.75 -0.10 0.00 1.02 0.00 0.00 30.24 25.98 2hb3 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2hb3 s ILE 62 N -3.41 4.40 -0.02 5.09 -1.09 -0.26 -4.82 121.20 121.08 2hb3 s ILE 62 Ca 0.01 -0.19 -0.21 0.00 -2.23 0.00 0.00 60.65 58.03 2hb3 s ILE 62 Cb -0.00 -2.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.90 2hb3 s ILE 62 CO 0.74 0.52 0.61 -0.63 -1.23 0.00 0.00 174.94 174.96 2hb3 s ILE 63 N -0.07 4.95 0.02 2.92 1.01 -1.26 -1.46 121.20 127.32 2hb3 s ILE 63 Ca 0.04 1.28 0.05 0.00 0.00 0.00 0.00 60.65 62.02 2hb3 s ILE 63 Cb -0.13 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2hb3 s ILE 63 CO 0.02 0.38 -0.16 -0.63 0.00 0.00 0.00 174.94 174.54 2hb3 s ILE 64 N 0.07 1.30 -0.27 2.92 1.01 -0.23 -4.53 121.20 121.46 2hb3 s ILE 64 Ca 0.32 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.92 2hb3 s ILE 64 Cb -0.18 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 2hb3 s ILE 64 CO 0.17 0.16 0.17 -0.70 0.00 0.00 0.00 174.94 174.74 2hb3 s GLU 65 N -0.91 3.93 -0.27 2.79 2.12 -0.49 -1.35 118.70 124.53 2hb3 s GLU 65 Ca 0.05 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 55.04 2hb3 s GLU 65 Cb -0.08 -3.60 0.04 0.00 0.26 0.00 0.00 34.13 30.76 2hb3 s GLU 65 CO 0.01 -0.14 -0.05 0.42 -0.54 0.00 0.00 175.26 174.96 2hb3 s ILE 66 N 1.62 2.77 -1.70 -3.70 1.01 0.91 -0.80 121.20 121.31 2hb3 s ILE 66 Ca 0.07 -1.28 -0.17 0.00 0.00 0.00 0.00 60.65 59.27 2hb3 s ILE 66 Cb -0.15 -2.51 0.15 0.00 0.01 0.00 0.00 42.46 39.96 2hb3 s ILE 66 CO 0.09 0.05 0.70 0.00 0.00 0.00 0.00 174.94 175.78 2hb3 n ALA 67 N 4.61 -1.34 -0.60 9.38 0.00 -0.46 -0.31 120.51 131.79 2hb3 n ALA 67 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2hb3 n ALA 67 Cb 0.45 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.79 2hb3 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hb3 n GLY 68 N -1.44 0.78 3.32 0.00 0.00 -1.26 -5.03 105.19 101.56 2hb3 n GLY 68 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2hb3 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hb3 s HIS 69 N -3.01 2.86 0.08 1.61 4.02 0.58 -5.09 115.29 116.33 2hb3 s HIS 69 Ca 0.00 -0.87 -0.28 0.00 1.02 0.00 0.00 55.06 54.94 2hb3 s HIS 69 Cb 0.00 -1.94 -0.05 0.00 -1.02 0.00 0.00 32.58 29.56 2hb3 s HIS 69 CO 0.00 -0.40 0.88 0.21 1.02 0.00 0.00 174.74 176.45 2hb3 s LYS 70 N 0.85 4.61 0.02 1.40 2.20 -1.26 -0.06 119.74 127.50 2hb3 s LYS 70 Ca -0.03 1.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 2hb3 s LYS 70 Cb -0.15 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2hb3 s LYS 70 CO 0.00 0.22 -0.03 0.00 -0.36 0.00 0.00 175.35 175.18 2hb3 s ALA 71 N 0.05 0.18 0.03 3.13 0.00 -0.45 -4.86 121.76 119.83 2hb3 s ALA 71 Ca 0.44 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.84 2hb3 s ALA 71 Cb -0.22 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2hb3 s ALA 71 CO 0.27 -0.15 -0.20 -1.50 0.00 0.00 0.00 175.76 174.17 2hb3 s ILE 72 N -1.53 1.61 -1.61 0.00 2.07 -1.26 -1.07 121.20 119.40 2hb3 s ILE 72 Ca -0.15 -1.08 0.00 0.00 -1.41 0.00 0.00 60.65 58.01 2hb3 s ILE 72 Cb -0.09 -1.39 0.00 0.00 0.13 0.00 0.00 42.46 41.11 2hb3 s ILE 72 CO -0.01 0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 2hb3 n GLY 73 N 2.07 -0.94 3.76 1.50 0.00 -0.53 -4.91 105.19 106.13 2hb3 n GLY 73 Ca -0.17 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 2hb3 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hb3 s THR 74 N -3.00 4.06 -0.09 2.61 2.01 -1.26 -1.10 115.64 118.87 2hb3 s THR 74 Ca 0.00 2.01 0.02 0.00 0.31 0.00 0.00 61.69 64.02 2hb3 s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2hb3 s THR 74 CO 0.00 0.43 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.53 2hb3 s VAL 75 N -1.26 1.30 -0.04 3.82 1.01 -0.03 -4.43 120.40 120.77 2hb3 s VAL 75 Ca 0.43 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 2hb3 s VAL 75 Cb -0.25 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 2hb3 s VAL 75 CO 0.31 0.40 0.36 -0.76 0.00 0.00 0.00 175.10 175.41 2hb3 s LEU 76 N 0.87 4.43 -0.11 3.92 1.43 -0.26 -1.39 118.68 127.57 2hb3 s LEU 76 Ca -0.10 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2hb3 s LEU 76 Cb -0.15 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.59 2hb3 s LEU 76 CO 0.01 0.30 -0.17 -0.69 0.23 0.00 0.00 176.35 176.02 2hb3 s VAL 77 N -0.81 1.66 -0.54 -1.59 1.01 0.35 -0.56 120.40 119.91 2hb3 s VAL 77 Ca 0.22 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2hb3 s VAL 77 Cb -0.15 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2hb3 s VAL 77 CO 0.11 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2hb3 n GLY 78 N 4.11 -1.26 2.11 4.51 0.00 -0.54 -0.63 105.19 113.48 2hb3 n GLY 78 Ca -0.19 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 2hb3 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hb3 n PRO 79 N -0.00 2.55 -2.37 1.61 -0.04 -1.26 -3.18 135.00 132.31 2hb3 n PRO 79 Ca 0.00 -1.41 -0.40 0.00 -0.04 0.00 0.00 63.50 61.65 2hb3 n PRO 79 Cb 0.00 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.17 2hb3 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2hb3 s THR 80 N 1.28 3.26 -0.51 0.52 -1.32 -1.26 -4.95 115.64 112.66 2hb3 s THR 80 Ca 0.68 1.23 0.24 0.00 -1.21 0.00 0.00 61.69 62.63 2hb3 s THR 80 Cb 0.28 -3.77 0.26 0.00 -1.51 0.00 0.00 72.50 67.75 2hb3 s THR 80 CO -0.02 0.27 1.73 -2.65 -2.21 0.00 0.00 174.62 171.73 2hb3 n PRO 81 N 0.92 0.21 -3.79 7.08 -0.02 -1.26 -4.70 135.00 133.44 2hb3 n PRO 81 Ca -0.00 0.39 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 2hb3 n PRO 81 Cb 0.44 -1.87 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 2hb3 n PRO 81 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hb3 s VAL 82 N -3.29 0.04 0.09 -1.45 1.01 -1.26 -5.10 120.40 110.44 2hb3 s VAL 82 Ca 0.05 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2hb3 s VAL 82 Cb 0.10 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.94 2hb3 s VAL 82 CO 0.43 -0.18 1.17 0.20 0.00 0.00 0.00 175.10 176.73 2hb3 s ASN 83 N -0.70 7.13 -0.13 3.32 0.01 -1.26 -4.73 114.94 118.57 2hb3 s ASN 83 Ca -0.08 2.04 0.01 0.00 -0.71 0.00 0.00 52.86 54.12 2hb3 s ASN 83 Cb -0.04 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2hb3 s ASN 83 CO 0.02 -0.40 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.44 2hb3 s ILE 84 N 0.69 1.49 -0.45 0.60 1.01 0.26 -0.93 121.20 123.86 2hb3 s ILE 84 Ca 0.56 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 2hb3 s ILE 84 Cb -0.29 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 40.81 2hb3 s ILE 84 CO 0.31 0.44 0.59 -0.63 0.00 0.00 0.00 174.94 175.65 2hb3 s ILE 85 N 1.30 4.90 0.64 2.92 -1.09 0.40 -0.95 121.20 129.33 2hb3 s ILE 85 Ca 0.00 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 2hb3 s ILE 85 Cb -0.14 -4.19 0.12 0.00 -1.58 0.00 0.00 42.46 36.67 2hb3 s ILE 85 CO -0.07 -0.62 0.88 0.61 -1.23 0.00 0.00 174.94 174.51 2hb3 n GLY 86 N 5.09 1.00 0.34 6.18 0.00 -1.25 -1.26 105.19 115.28 2hb3 n GLY 86 Ca -0.04 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 44.02 2hb3 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hb3 h ARG 87 N 0.00 0.24 -0.10 1.61 3.08 -0.69 -1.12 114.38 117.40 2hb3 h ARG 87 Ca -0.29 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.77 2hb3 h ARG 87 Cb 1.14 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 2hb3 h ARG 87 CO 0.34 0.16 0.09 -2.95 -1.07 0.00 0.00 179.97 176.53 2hb3 h ASN 88 N 0.25 0.00 0.00 7.04 -0.00 -1.68 -1.78 115.58 119.41 2hb3 h ASN 88 Ca 0.20 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 56.27 2hb3 h ASN 88 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.76 2hb3 h ASN 88 CO -0.04 0.00 -2.05 0.18 -0.00 0.00 0.00 177.43 175.52 2hb3 n LEU 89 N -4.13 0.00 -0.14 6.14 4.77 -0.67 -4.46 117.00 118.50 2hb3 n LEU 89 Ca -0.01 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2hb3 n LEU 89 Cb 0.20 0.32 0.26 0.00 -2.33 0.00 0.00 43.42 41.86 2hb3 n LEU 89 CO 0.31 0.32 1.13 -0.07 -1.33 0.00 0.00 177.39 177.74 2hb3 h LEU 90 N 0.00 0.75 -1.31 2.23 3.38 -0.85 -1.44 115.31 118.07 2hb3 h LEU 90 Ca -0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2hb3 h LEU 90 Cb 1.75 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 2hb3 h LEU 90 CO 0.02 0.62 0.32 0.71 0.09 0.00 0.00 178.44 180.19 2hb3 h THR 91 N 0.85 1.18 0.00 0.22 1.35 -1.56 -2.02 112.91 112.92 2hb3 h THR 91 Ca 0.21 -0.44 -0.05 0.00 -0.55 0.00 0.00 66.41 65.59 2hb3 h THR 91 Cb 0.05 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 2hb3 h THR 91 CO -0.03 0.19 -0.22 1.56 -0.25 0.00 0.00 175.52 176.77 2hb3 h GLN 92 N 0.80 0.00 -0.35 4.72 1.08 -1.48 -1.75 115.11 118.14 2hb3 h GLN 92 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2hb3 h GLN 92 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2hb3 h GLN 92 CO -0.03 0.22 0.00 0.44 -0.95 0.00 0.00 178.83 178.51 2hb3 n ILE 93 N -3.39 0.45 -1.69 2.54 -5.35 -1.04 -4.95 119.36 105.93 2hb3 n ILE 93 Ca 0.00 -0.63 -0.05 0.00 -0.27 0.00 0.00 62.75 61.80 2hb3 n ILE 93 Cb 0.43 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 39.05 2hb3 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hb3 n GLY 94 N 1.39 0.42 3.75 3.28 0.00 -0.66 -5.00 105.19 108.37 2hb3 n GLY 94 Ca 0.18 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2hb3 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hb3 s ALA 95 N -2.22 3.40 0.09 4.61 0.00 -0.79 -5.04 121.76 121.81 2hb3 s ALA 95 Ca 0.00 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.87 2hb3 s ALA 95 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2hb3 s ALA 95 CO 0.00 -0.19 -0.11 0.95 0.00 0.00 0.00 175.76 176.41 2hb3 s THR 96 N -0.78 0.99 -0.20 0.00 -4.23 -1.26 -4.73 115.64 105.44 2hb3 s THR 96 Ca 0.47 -1.52 -0.12 0.00 -1.18 0.00 0.00 61.69 59.33 2hb3 s THR 96 Cb -0.31 -1.24 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 2hb3 s THR 96 CO 0.39 -0.45 0.23 -0.76 -0.54 0.00 0.00 174.62 173.50 2hb3 s LEU 97 N -2.20 4.19 -0.04 4.79 1.43 -1.26 -5.09 118.68 120.49 2hb3 s LEU 97 Ca 0.03 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 2hb3 s LEU 97 Cb -0.05 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 2hb3 s LEU 97 CO 0.01 0.08 -0.15 0.20 0.23 0.00 0.00 176.35 176.72 2hb3 s ASN 98 N 0.68 1.90 0.00 2.29 0.01 -1.26 -5.30 114.94 113.26 2hb3 s ASN 98 Ca 0.12 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 2hb3 s ASN 98 Cb -0.13 -0.52 0.00 0.00 0.41 0.00 0.00 41.25 41.01 2hb3 s ASN 98 CO 0.03 0.13 0.00 2.22 -1.51 0.00 0.00 177.10 177.97