#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvl s GLN 2 N 0.00 3.44 -0.24 0.54 0.74 -1.26 -5.07 119.66 117.80 1hvl s GLN 2 Ca 0.00 -0.66 -0.12 0.00 0.05 0.00 0.00 55.36 54.62 1hvl s GLN 2 Cb 0.00 -3.67 -0.05 0.00 1.10 0.00 0.00 33.01 30.39 1hvl s GLN 2 CO 0.00 -0.41 0.24 0.42 -0.55 0.00 0.00 175.29 174.98 1hvl s ILE 3 N 1.67 5.30 0.53 -2.34 1.01 -1.26 -5.08 121.20 121.02 1hvl s ILE 3 Ca 0.05 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.95 1hvl s ILE 3 Cb -0.17 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1hvl s ILE 3 CO 0.08 0.29 0.89 0.42 0.00 0.00 0.00 174.94 176.62 1hvl s THR 4 N 1.36 4.81 -0.79 2.92 -4.23 -1.26 -5.01 115.64 113.45 1hvl s THR 4 Ca 0.11 0.53 0.16 0.00 -1.18 0.00 0.00 61.69 61.31 1hvl s THR 4 Cb -0.14 -3.86 0.62 0.00 1.34 0.00 0.00 72.50 70.46 1hvl s THR 4 CO 0.07 -0.95 1.54 0.18 -0.54 0.00 0.00 174.62 174.92 1hvl n LEU 5 N -2.38 4.37 -0.31 4.79 4.77 -1.26 -4.46 117.00 122.53 1hvl n LEU 5 Ca 0.03 -2.55 -0.02 0.00 -0.03 0.00 0.00 56.01 53.44 1hvl n LEU 5 Cb 0.55 -0.53 0.14 0.00 -2.33 0.00 0.00 43.42 41.25 1hvl n LEU 5 CO 0.55 0.75 1.23 -0.50 -1.33 0.00 0.00 177.39 178.08 1hvl h TRP 6 N 3.22 1.15 -1.85 -1.77 4.06 -2.05 -3.43 115.95 115.28 1hvl h TRP 6 Ca 0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 1hvl h TRP 6 Cb 1.39 -0.38 -0.07 0.00 -1.00 0.00 0.00 29.16 29.10 1hvl h TRP 6 CO 0.65 0.76 -0.51 -0.65 -3.56 0.00 0.00 178.44 175.13 1hvl s GLN 7 N -5.90 2.45 0.25 0.49 -0.21 -1.26 -5.09 119.66 110.38 1hvl s GLN 7 Ca -0.12 -1.51 -0.31 0.00 0.02 0.00 0.00 55.36 53.44 1hvl s GLN 7 Cb 0.17 -2.24 -0.12 0.00 1.00 0.00 0.00 33.01 31.82 1hvl s GLN 7 CO 0.81 0.09 1.57 0.54 -2.12 0.00 0.00 175.29 176.18 1hvl n ARG 8 N -1.22 2.48 -1.88 2.91 1.74 -1.26 -4.84 116.66 114.58 1hvl n ARG 8 Ca -0.02 0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 57.53 1hvl n ARG 8 Cb 0.61 -2.64 -0.02 0.00 -1.02 0.00 0.00 32.46 29.38 1hvl n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hvl n PRO 9 N 2.60 2.48 -3.07 5.56 -0.04 -1.26 -4.91 135.00 136.35 1hvl n PRO 9 Ca 0.12 -2.60 -0.40 0.00 -0.04 0.00 0.00 63.50 60.58 1hvl n PRO 9 Cb 0.34 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.42 1hvl n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hvl s LEU 10 N 3.77 4.25 0.31 1.53 1.43 -1.26 -0.79 118.68 127.91 1hvl s LEU 10 Ca 0.54 1.05 0.06 0.00 -1.03 0.00 0.00 54.13 54.75 1hvl s LEU 10 Cb 0.09 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 1hvl s LEU 10 CO 0.03 -0.18 -0.02 0.68 0.23 0.00 0.00 176.35 177.09 1hvl s VAL 11 N 1.26 1.58 -0.10 -1.59 -7.23 0.50 -4.91 120.40 109.91 1hvl s VAL 11 Ca 0.34 -2.08 -0.28 0.00 -1.81 0.00 0.00 61.98 58.15 1hvl s VAL 11 Cb -0.17 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 1hvl s VAL 11 CO 0.14 -0.19 0.93 -0.89 -0.31 0.00 0.00 175.10 174.79 1hvl s THR 12 N -3.04 4.85 0.09 5.32 2.01 -1.26 -0.39 115.64 123.22 1hvl s THR 12 Ca 0.32 1.89 0.06 0.00 0.31 0.00 0.00 61.69 64.27 1hvl s THR 12 Cb 0.06 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1hvl s THR 12 CO 0.14 0.06 -0.04 0.27 -0.69 0.00 0.00 174.62 174.36 1hvl s ILE 13 N 1.73 3.76 -0.20 1.82 -4.36 0.13 -3.25 121.20 120.83 1hvl s ILE 13 Ca 0.46 -1.09 -0.06 0.00 -0.26 0.00 0.00 60.65 59.69 1hvl s ILE 13 Cb -0.18 -2.77 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 1hvl s ILE 13 CO 0.19 0.12 0.03 -0.54 0.24 0.00 0.00 174.94 174.98 1hvl s LYS 14 N -2.25 3.73 -0.11 0.37 3.01 -0.17 0.22 119.74 124.55 1hvl s LYS 14 Ca 0.24 -0.46 -0.01 0.00 -1.01 0.00 0.00 55.97 54.73 1hvl s LYS 14 Cb -0.11 -3.15 0.03 0.00 -1.01 0.00 0.00 37.83 33.58 1hvl s LYS 14 CO 0.16 0.07 -0.04 -1.50 0.51 0.00 0.00 175.35 174.55 1hvl s ILE 15 N 0.89 0.79 -1.19 2.17 2.07 0.53 -1.53 121.20 124.93 1hvl s ILE 15 Ca 0.02 -0.19 -0.06 0.00 -1.41 0.00 0.00 60.65 59.01 1hvl s ILE 15 Cb -0.14 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.56 1hvl s ILE 15 CO 0.02 0.28 1.03 0.61 -1.91 0.00 0.00 174.94 174.98 1hvl n GLY 16 N 5.01 -0.37 4.56 1.50 0.00 -1.26 -2.49 105.19 112.14 1hvl n GLY 16 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1hvl n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvl n GLY 17 N -1.67 0.68 3.73 -0.02 0.00 -1.26 -4.94 105.19 101.70 1hvl n GLY 17 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1hvl n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvl s GLN 18 N 0.00 4.48 0.18 1.61 -0.21 -1.04 -5.06 119.66 119.62 1hvl s GLN 18 Ca 0.00 1.79 -0.30 0.00 0.02 0.00 0.00 55.36 56.87 1hvl s GLN 18 Cb 0.00 -3.30 -0.08 0.00 1.00 0.00 0.00 33.01 30.63 1hvl s GLN 18 CO 0.00 -0.14 0.99 -0.51 -2.12 0.00 0.00 175.29 173.50 1hvl s LEU 19 N 0.40 4.56 0.22 2.90 1.02 -1.26 -0.34 118.68 126.17 1hvl s LEU 19 Ca 0.55 1.93 0.01 0.00 0.02 0.00 0.00 54.13 56.65 1hvl s LEU 19 Cb -0.30 -3.60 -0.05 0.00 0.02 0.00 0.00 46.19 42.26 1hvl s LEU 19 CO 0.32 -0.02 0.06 -0.54 0.02 0.00 0.00 176.35 176.20 1hvl s LYS 20 N -0.58 1.29 0.09 1.70 1.02 0.13 -4.94 119.74 118.45 1hvl s LYS 20 Ca 0.45 -1.67 0.04 0.00 0.02 0.00 0.00 55.97 54.81 1hvl s LYS 20 Cb -0.26 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 1hvl s LYS 20 CO 0.32 -0.23 0.05 -1.83 -0.92 0.00 0.00 175.35 172.75 1hvl s GLU 21 N -3.99 2.75 0.06 1.68 -1.05 -1.26 0.22 118.70 117.11 1hvl s GLU 21 Ca 0.32 -0.77 -0.08 0.00 -0.15 0.00 0.00 54.97 54.29 1hvl s GLU 21 Cb 0.07 -2.64 -0.00 0.00 -0.44 0.00 0.00 34.13 31.11 1hvl s GLU 21 CO 0.10 0.55 0.17 0.00 0.95 0.00 0.00 175.26 177.03 1hvl s ALA 22 N -1.40 -0.24 -0.24 -0.84 0.00 0.48 -4.42 121.76 115.10 1hvl s ALA 22 Ca 0.28 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.61 1hvl s ALA 22 Cb -0.12 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1hvl s ALA 22 CO 0.21 -0.41 0.38 -1.17 0.00 0.00 0.00 175.76 174.77 1hvl s LEU 23 N -2.42 4.08 -0.31 0.00 2.96 0.16 -0.37 118.68 122.78 1hvl s LEU 23 Ca -0.01 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 53.99 1hvl s LEU 23 Cb 0.02 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.25 1hvl s LEU 23 CO -0.07 -0.14 1.23 -0.76 -1.32 0.00 0.00 176.35 175.29 1hvl s LEU 24 N 1.78 3.89 -0.30 -0.68 1.43 0.03 -0.28 118.68 124.55 1hvl s LEU 24 Ca 0.16 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1hvl s LEU 24 Cb -0.15 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 1hvl s LEU 24 CO 0.09 -1.03 0.06 -0.62 0.23 0.00 0.00 176.35 175.08 1hvl s ASP 25 N 2.45 4.16 0.15 2.29 2.15 0.10 -4.80 116.67 123.17 1hvl s ASP 25 Ca 0.53 -1.68 0.20 0.00 0.43 0.00 0.00 52.55 52.03 1hvl s ASP 25 Cb -0.15 -1.11 0.83 0.00 -0.30 0.00 0.00 42.92 42.18 1hvl s ASP 25 CO 0.21 -0.37 1.60 0.35 -0.17 0.00 0.00 175.17 176.79 1hvl n THR 26 N 4.66 0.91 1.05 1.71 -2.24 -1.26 -2.18 114.28 116.93 1hvl n THR 26 Ca -0.02 0.24 0.12 0.00 -2.27 0.00 0.00 64.05 62.13 1hvl n THR 26 Cb 0.43 -1.10 0.32 0.00 -2.10 0.00 0.00 70.33 67.88 1hvl n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hvl n GLY 27 N -0.02 -1.18 3.71 3.38 0.00 -1.26 -4.83 105.19 104.99 1hvl n GLY 27 Ca 0.03 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 1hvl n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvl s ALA 28 N -2.91 3.47 0.25 4.61 0.00 -0.93 -4.96 121.76 121.29 1hvl s ALA 28 Ca 0.14 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 51.97 1hvl s ALA 28 Cb 0.18 -2.72 0.29 0.00 0.00 0.00 0.00 23.12 20.87 1hvl s ALA 28 CO 0.65 -0.09 1.59 -0.44 0.00 0.00 0.00 175.76 177.46 1hvl h ASP 29 N 6.86 0.26 -2.40 0.00 3.32 -1.88 0.12 116.42 122.70 1hvl h ASP 29 Ca -0.40 -0.14 -0.57 0.00 0.02 0.00 0.00 57.03 55.94 1hvl h ASP 29 Cb 1.18 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 1hvl h ASP 29 CO 0.75 0.77 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.58 1hvl s ASP 30 N -6.89 4.55 -0.13 6.45 1.01 -1.26 -2.86 116.67 117.54 1hvl s ASP 30 Ca -0.04 -0.60 -0.13 0.00 0.71 0.00 0.00 52.55 52.50 1hvl s ASP 30 Cb 0.12 -0.86 -0.05 0.00 1.01 0.00 0.00 42.92 43.15 1hvl s ASP 30 CO 0.79 0.03 0.27 -0.89 0.21 0.00 0.00 175.17 175.58 1hvl s THR 31 N -2.16 5.31 -0.12 -1.27 2.01 -1.26 -3.50 115.64 114.65 1hvl s THR 31 Ca 0.30 0.51 -0.00 0.00 0.31 0.00 0.00 61.69 62.80 1hvl s THR 31 Cb -0.07 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1hvl s THR 31 CO 0.19 0.46 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.81 1hvl s VAL 32 N -0.00 1.06 0.14 3.82 1.01 -0.49 -1.23 120.40 124.71 1hvl s VAL 32 Ca 0.17 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1hvl s VAL 32 Cb -0.13 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1hvl s VAL 32 CO 0.05 0.36 -0.10 -0.76 0.00 0.00 0.00 175.10 174.66 1hvl s LEU 33 N 1.69 3.01 0.72 3.92 1.43 0.14 -0.57 118.68 129.03 1hvl s LEU 33 Ca 0.05 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1hvl s LEU 33 Cb -0.13 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1hvl s LEU 33 CO -0.08 0.14 0.72 -1.84 0.23 0.00 0.00 176.35 175.52 1hvl n GLU 34 N 0.35 0.39 -1.64 1.70 0.28 -1.26 -1.88 120.64 118.58 1hvl n GLU 34 Ca -0.12 0.18 -0.50 0.00 -0.16 0.00 0.00 57.16 56.56 1hvl n GLU 34 Cb 0.54 -2.00 -0.05 0.00 1.43 0.00 0.00 31.44 31.36 1hvl n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1hvl n GLU 35 N -1.22 1.60 -3.61 3.44 4.07 -0.86 -4.48 120.64 119.58 1hvl n GLU 35 Ca 0.11 0.58 -0.14 0.00 -0.06 0.00 0.00 57.16 57.65 1hvl n GLU 35 Cb 0.50 -2.30 -0.06 0.00 -0.06 0.00 0.00 31.44 29.52 1hvl n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hvl s MET 36 N 1.47 0.97 -0.49 5.31 0.23 -1.26 -5.01 119.30 120.52 1hvl s MET 36 Ca 0.85 -0.18 -0.15 0.00 -1.03 0.00 0.00 55.69 55.19 1hvl s MET 36 Cb -0.85 0.44 0.09 0.00 -1.53 0.00 0.00 34.83 32.99 1hvl s MET 36 CO 0.47 -0.33 0.41 -1.54 -2.03 0.00 0.00 175.02 172.00 1hvl s SER 37 N -1.77 6.07 0.23 -1.18 1.04 -1.26 -5.02 113.70 111.81 1hvl s SER 37 Ca -0.07 -1.52 -0.12 0.00 0.48 0.00 0.00 55.95 54.72 1hvl s SER 37 Cb -0.01 -2.16 -0.08 0.00 0.10 0.00 0.00 66.02 63.87 1hvl s SER 37 CO 0.01 -0.70 0.59 -0.76 0.98 0.00 0.00 173.24 173.36 1hvl s LEU 38 N 1.59 4.18 0.62 2.42 1.43 -1.26 -5.08 118.68 122.58 1hvl s LEU 38 Ca 0.04 1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.03 1hvl s LEU 38 Cb -0.26 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 1hvl s LEU 38 CO 0.05 -0.06 1.06 -2.16 0.23 0.00 0.00 176.35 175.46 1hvl s PRO 39 N -2.67 3.21 0.00 1.29 0.04 -1.26 -4.96 135.00 130.65 1hvl s PRO 39 Ca 0.47 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1hvl s PRO 39 Cb -0.12 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1hvl s PRO 39 CO 0.20 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1hvl n GLY 40 N -1.30 3.22 3.81 0.56 0.00 -1.26 -5.05 105.19 105.17 1hvl n GLY 40 Ca 0.08 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 1hvl n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hvl s ARG 41 N -2.32 4.22 0.22 1.61 3.00 -1.26 -5.09 118.95 119.34 1hvl s ARG 41 Ca 0.00 0.78 0.08 0.00 0.00 0.00 0.00 55.73 56.59 1hvl s ARG 41 Cb 0.00 -3.10 -0.05 0.00 0.00 0.00 0.00 34.95 31.80 1hvl s ARG 41 CO 0.00 0.54 -0.13 1.67 0.00 0.00 0.00 175.30 177.38 1hvl s TRP 42 N -1.28 1.79 0.01 -0.53 1.48 -1.26 -4.56 118.94 114.59 1hvl s TRP 42 Ca 0.35 -0.59 0.07 0.00 -1.06 0.00 0.00 56.10 54.87 1hvl s TRP 42 Cb -0.18 -0.87 -0.03 0.00 -1.16 0.00 0.00 33.47 31.23 1hvl s TRP 42 CO 0.21 0.36 -0.21 0.15 -4.06 0.00 0.00 176.95 173.40 1hvl s LYS 43 N -3.66 2.11 0.35 3.25 1.02 -0.62 -4.90 119.74 117.30 1hvl s LYS 43 Ca 0.24 -0.94 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 1hvl s LYS 43 Cb -0.00 -2.15 -0.09 0.00 -0.52 0.00 0.00 37.83 35.06 1hvl s LYS 43 CO 0.08 0.56 1.25 -1.25 -0.92 0.00 0.00 175.35 175.07 1hvl s PRO 44 N -1.09 4.26 0.03 -1.68 0.04 -1.26 0.06 135.00 135.36 1hvl s PRO 44 Ca 0.12 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 63.13 1hvl s PRO 44 Cb -0.10 -2.95 0.01 0.00 0.04 0.00 0.00 34.50 31.49 1hvl s PRO 44 CO 0.02 -0.21 0.21 0.21 0.04 0.00 0.00 177.00 177.27 1hvl s LYS 45 N -1.93 0.68 -0.16 4.56 2.20 0.61 -4.85 119.74 120.85 1hvl s LYS 45 Ca 0.51 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 55.53 1hvl s LYS 45 Cb -0.36 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.22 1hvl s LYS 45 CO 0.47 -0.20 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.55 1hvl s MET 46 N -2.37 3.51 0.06 4.03 -1.94 -1.26 -0.27 119.30 121.06 1hvl s MET 46 Ca -0.07 -0.60 0.10 0.00 -1.71 0.00 0.00 55.69 53.41 1hvl s MET 46 Cb -0.02 -2.82 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 1hvl s MET 46 CO -0.03 0.16 -0.26 0.96 -0.01 0.00 0.00 175.02 175.83 1hvl s ILE 47 N 0.55 2.17 0.24 2.53 -5.25 -0.58 -4.96 121.20 115.90 1hvl s ILE 47 Ca -0.05 -1.45 0.07 0.00 -0.99 0.00 0.00 60.65 58.23 1hvl s ILE 47 Cb -0.15 -1.86 -0.04 0.00 2.95 0.00 0.00 42.46 43.36 1hvl s ILE 47 CO 0.03 0.32 0.17 -0.83 -1.79 0.00 0.00 174.94 172.84 1hvl s GLY 48 N -1.38 1.46 0.00 6.27 0.00 -1.26 -0.42 107.32 112.00 1hvl s GLY 48 Ca 0.12 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1hvl s GLY 48 CO 0.03 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.29 1hvl n GLY 49 N -1.05 3.85 0.40 0.20 0.00 0.74 -4.97 105.19 104.36 1hvl n GLY 49 Ca -0.08 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 1hvl n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1hvl h ILE 50 N 0.00 0.08 -0.60 -0.61 1.08 -2.04 -2.97 117.51 112.46 1hvl h ILE 50 Ca 0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.36 1hvl h ILE 50 Cb 0.00 0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 33.77 1hvl h ILE 50 CO 0.00 0.00 0.12 0.61 -0.69 0.00 0.00 178.15 178.19 1hvl n GLY 51 N -1.40 3.54 0.00 5.37 0.00 -1.26 -5.05 105.19 106.39 1hvl n GLY 51 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1hvl n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvl n GLY 52 N 0.02 0.54 3.56 -0.02 0.00 -1.12 -5.09 105.19 103.08 1hvl n GLY 52 Ca 0.33 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1hvl n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hvl s PHE 53 N -0.70 2.76 0.32 1.61 0.40 -1.26 -0.18 117.98 120.93 1hvl s PHE 53 Ca 0.00 -0.13 0.10 0.00 -0.60 0.00 0.00 56.93 56.30 1hvl s PHE 53 Cb 0.00 -1.52 -0.06 0.00 0.51 0.00 0.00 43.02 41.95 1hvl s PHE 53 CO 0.00 0.36 -0.12 0.96 0.70 0.00 0.00 175.22 177.12 1hvl s ILE 54 N -1.05 2.26 -0.12 0.64 -4.36 0.44 -4.95 121.20 114.05 1hvl s ILE 54 Ca 0.18 -2.26 -0.16 0.00 -0.26 0.00 0.00 60.65 58.15 1hvl s ILE 54 Cb -0.11 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 1hvl s ILE 54 CO 0.09 -0.27 0.41 -0.54 0.24 0.00 0.00 174.94 174.87 1hvl s LYS 55 N -3.59 4.28 0.20 0.37 1.02 -1.26 -1.52 119.74 119.24 1hvl s LYS 55 Ca 0.31 0.34 0.04 0.00 0.02 0.00 0.00 55.97 56.68 1hvl s LYS 55 Cb 0.00 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1hvl s LYS 55 CO 0.16 0.23 -0.04 0.14 -0.92 0.00 0.00 175.35 174.92 1hvl s VAL 56 N 0.42 1.09 -0.17 3.17 -7.23 0.63 -4.48 120.40 113.82 1hvl s VAL 56 Ca 0.23 -2.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 1hvl s VAL 56 Cb -0.15 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1hvl s VAL 56 CO 0.09 -0.47 0.03 -0.13 -0.31 0.00 0.00 175.10 174.30 1hvl s ARG 57 N -3.82 3.85 -0.27 4.82 0.52 0.37 -0.29 118.95 124.14 1hvl s ARG 57 Ca 0.24 -0.41 -0.15 0.00 -0.52 0.00 0.00 55.73 54.89 1hvl s ARG 57 Cb 0.04 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1hvl s ARG 57 CO 0.06 0.24 0.36 -1.14 0.02 0.00 0.00 175.30 174.85 1hvl s GLN 58 N 0.42 4.02 -0.14 3.54 0.74 0.11 -0.35 119.66 128.00 1hvl s GLN 58 Ca 0.00 0.03 -0.03 0.00 0.05 0.00 0.00 55.36 55.41 1hvl s GLN 58 Cb -0.13 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 1hvl s GLN 58 CO 0.01 -0.26 -0.03 0.71 -0.55 0.00 0.00 175.29 175.17 1hvl s TYR 59 N 2.01 3.05 0.29 1.67 2.02 0.60 -1.59 117.35 125.40 1hvl s TYR 59 Ca 0.15 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.66 1hvl s TYR 59 Cb -0.16 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1hvl s TYR 59 CO 0.10 0.05 0.47 -0.51 -1.57 0.00 0.00 175.55 174.08 1hvl s ASP 60 N 0.16 6.32 -1.69 2.29 1.01 -1.26 -0.59 116.67 122.91 1hvl s ASP 60 Ca -0.01 0.32 0.00 0.00 0.71 0.00 0.00 52.55 53.57 1hvl s ASP 60 Cb -0.14 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1hvl s ASP 60 CO 0.03 -0.19 0.00 0.00 0.21 0.00 0.00 175.17 175.22 1hvl n GLN 61 N -1.52 -1.51 -2.75 8.23 1.13 -1.00 -4.88 117.38 115.08 1hvl n GLN 61 Ca -0.06 0.96 -0.41 0.00 -1.94 0.00 0.00 57.00 55.54 1hvl n GLN 61 Cb 0.56 -5.49 -0.04 0.00 0.11 0.00 0.00 30.24 25.38 1hvl n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hvl s ILE 62 N -2.93 4.76 -0.16 5.09 -1.09 0.51 -4.61 121.20 122.76 1hvl s ILE 62 Ca 0.00 2.00 -0.23 0.00 -2.23 0.00 0.00 60.65 60.19 1hvl s ILE 62 Cb 0.00 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 1hvl s ILE 62 CO 0.00 0.23 0.72 -0.22 -1.23 0.00 0.00 174.94 174.44 1hvl s LEU 63 N 0.62 4.19 0.13 2.97 1.98 -1.26 -0.97 118.68 126.34 1hvl s LEU 63 Ca 0.49 1.03 0.10 0.00 -2.89 0.00 0.00 54.13 52.85 1hvl s LEU 63 Cb -0.21 -3.05 -0.04 0.00 0.66 0.00 0.00 46.19 43.54 1hvl s LEU 63 CO 0.28 -0.29 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.58 1hvl s ILE 64 N 1.81 2.00 -0.12 6.68 1.01 -0.28 -4.52 121.20 127.77 1hvl s ILE 64 Ca 0.34 -1.72 0.03 0.00 0.00 0.00 0.00 60.65 59.30 1hvl s ILE 64 Cb -0.16 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.50 1hvl s ILE 64 CO 0.12 -0.04 -0.22 -0.70 0.00 0.00 0.00 174.94 174.11 1hvl s GLU 65 N -2.15 2.92 -0.27 2.79 2.12 -0.58 -0.63 118.70 122.90 1hvl s GLU 65 Ca 0.12 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.62 1hvl s GLU 65 Cb -0.09 -2.33 0.04 0.00 0.26 0.00 0.00 34.13 32.01 1hvl s GLU 65 CO 0.06 0.03 -0.06 0.42 -0.54 0.00 0.00 175.26 175.17 1hvl s ILE 66 N 0.71 2.72 -1.37 -3.70 1.01 0.91 -1.00 121.20 120.49 1hvl s ILE 66 Ca -0.10 -1.28 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 1hvl s ILE 66 Cb -0.16 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.84 1hvl s ILE 66 CO 0.01 0.06 0.39 0.00 0.00 0.00 0.00 174.94 175.40 1hvl n GLY 68 N -2.23 0.77 3.57 0.00 0.00 -1.26 -4.98 105.19 101.05 1hvl n GLY 68 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1hvl n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hvl s HIS 69 N -2.81 3.20 0.31 1.61 4.02 0.77 -5.08 115.29 117.31 1hvl s HIS 69 Ca 0.00 -0.04 -0.23 0.00 1.02 0.00 0.00 55.06 55.81 1hvl s HIS 69 Cb 0.00 -2.26 -0.10 0.00 -1.02 0.00 0.00 32.58 29.21 1hvl s HIS 69 CO 0.00 -0.12 0.88 0.15 1.02 0.00 0.00 174.74 176.67 1hvl s LYS 70 N 1.33 4.44 0.02 1.40 1.02 -1.26 -0.06 119.74 126.63 1hvl s LYS 70 Ca 0.06 1.16 -0.00 0.00 0.02 0.00 0.00 55.97 57.22 1hvl s LYS 70 Cb -0.15 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1hvl s LYS 70 CO 0.06 0.27 -0.03 0.00 -0.92 0.00 0.00 175.35 174.73 1hvl s ALA 71 N -1.67 0.15 -0.06 5.17 0.00 0.19 -4.74 121.76 120.80 1hvl s ALA 71 Ca 0.50 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1hvl s ALA 71 Cb -0.17 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1hvl s ALA 71 CO 0.22 -0.17 -0.03 0.42 0.00 0.00 0.00 175.76 176.20 1hvl s ILE 72 N -1.60 0.52 0.00 0.00 1.01 -1.26 -1.12 121.20 118.74 1hvl s ILE 72 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1hvl s ILE 72 Cb -0.09 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1hvl s ILE 72 CO -0.02 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1hvl n GLY 73 N 4.62 0.63 3.73 6.18 0.00 -0.14 -4.87 105.19 115.34 1hvl n GLY 73 Ca -0.16 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1hvl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hvl s THR 74 N -2.02 4.51 -0.04 2.61 2.01 -1.26 -0.37 115.64 121.09 1hvl s THR 74 Ca 0.00 1.98 0.04 0.00 0.31 0.00 0.00 61.69 64.02 1hvl s THR 74 Cb 0.00 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 1hvl s THR 74 CO 0.00 0.34 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 1hvl s VAL 75 N -0.11 1.27 -0.13 3.82 1.01 0.24 -4.36 120.40 122.15 1hvl s VAL 75 Ca 0.45 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 1hvl s VAL 75 Cb -0.23 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1hvl s VAL 75 CO 0.29 0.37 0.07 -0.76 0.00 0.00 0.00 175.10 175.07 1hvl s LEU 76 N 0.06 3.96 -0.07 3.92 1.43 -0.36 -0.29 118.68 127.33 1hvl s LEU 76 Ca -0.03 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1hvl s LEU 76 Cb -0.11 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1hvl s LEU 76 CO 0.02 0.32 -0.23 -0.69 0.23 0.00 0.00 176.35 176.00 1hvl s VAL 77 N -0.49 1.90 -0.01 -1.59 1.01 0.53 0.27 120.40 122.03 1hvl s VAL 77 Ca 0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1hvl s VAL 77 Cb -0.12 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1hvl s VAL 77 CO 0.02 0.53 0.15 0.61 0.00 0.00 0.00 175.10 176.41 1hvl n GLY 78 N 3.23 0.48 1.74 4.51 0.00 -0.79 -0.48 105.19 113.88 1hvl n GLY 78 Ca -0.18 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.97 1hvl n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hvl n PRO 79 N -0.11 1.04 -2.15 1.61 -0.04 -1.26 -2.02 135.00 132.07 1hvl n PRO 79 Ca 0.01 -0.23 -0.41 0.00 -0.04 0.00 0.00 63.50 62.83 1hvl n PRO 79 Cb 0.07 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.18 1hvl n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hvl s THR 80 N 0.67 2.84 0.18 0.52 -1.32 -1.26 -4.94 115.64 112.31 1hvl s THR 80 Ca 0.16 0.81 0.32 0.00 -1.21 0.00 0.00 61.69 61.76 1hvl s THR 80 Cb 0.07 -3.51 0.35 0.00 -1.51 0.00 0.00 72.50 67.90 1hvl s THR 80 CO 0.00 0.18 1.99 1.55 -2.21 0.00 0.00 174.62 176.13 1hvl h PRO 81 N 3.80 0.00 -4.47 7.08 0.13 -1.98 -3.43 132.00 133.13 1hvl h PRO 81 Ca -0.48 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.37 1hvl h PRO 81 Cb 1.22 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 1hvl h PRO 81 CO 0.68 0.06 -0.74 0.54 -0.23 0.00 0.00 178.00 178.31 1hvl s VAL 82 N -3.75 0.49 -0.00 1.56 0.11 -1.26 -5.06 120.40 112.48 1hvl s VAL 82 Ca 0.00 -0.88 -0.30 0.00 -2.93 0.00 0.00 61.98 57.87 1hvl s VAL 82 Cb 0.10 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1hvl s VAL 82 CO 0.56 -0.28 1.07 0.20 -3.33 0.00 0.00 175.10 173.32 1hvl s ASN 83 N -1.25 7.24 -0.20 3.54 0.01 -1.26 -4.61 114.94 118.41 1hvl s ASN 83 Ca -0.08 1.76 0.01 0.00 -0.71 0.00 0.00 52.86 53.84 1hvl s ASN 83 Cb -0.08 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.04 1hvl s ASN 83 CO 0.00 -0.38 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.41 1hvl s ILE 84 N 1.31 2.12 -0.31 0.60 1.01 0.27 0.36 121.20 126.55 1hvl s ILE 84 Ca 0.54 -1.10 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1hvl s ILE 84 Cb -0.23 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 1hvl s ILE 84 CO 0.26 0.40 0.58 -0.63 0.00 0.00 0.00 174.94 175.56 1hvl s ILE 85 N 1.25 4.98 0.72 2.92 -1.09 0.62 -1.40 121.20 129.20 1hvl s ILE 85 Ca 0.02 0.76 0.02 0.00 -2.23 0.00 0.00 60.65 59.21 1hvl s ILE 85 Cb -0.15 -3.96 0.14 0.00 -1.58 0.00 0.00 42.46 36.91 1hvl s ILE 85 CO -0.11 -0.11 1.00 -0.83 -1.23 0.00 0.00 174.94 173.65 1hvl s GLY 86 N 1.65 1.73 0.48 6.18 0.00 -1.23 -0.72 107.32 115.41 1hvl s GLY 86 Ca 0.23 -1.95 0.13 0.00 0.00 0.00 0.00 44.72 43.14 1hvl s GLY 86 CO 0.12 -1.34 2.11 3.21 0.00 0.00 0.00 173.10 177.20 1hvl h ARG 87 N -0.49 0.16 -0.39 2.90 3.08 -1.02 -1.22 114.38 117.40 1hvl h ARG 87 Ca -0.33 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.82 1hvl h ARG 87 Cb 1.27 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 1hvl h ARG 87 CO 0.37 0.12 0.30 -2.95 -1.07 0.00 0.00 179.97 176.74 1hvl h ASN 88 N 0.16 0.00 0.00 7.04 -1.07 -1.79 -1.87 115.58 118.05 1hvl h ASN 88 Ca 0.04 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.21 1hvl h ASN 88 Cb 0.02 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.23 1hvl h ASN 88 CO -0.01 0.00 -2.02 0.18 0.07 0.00 0.00 177.43 175.65 1hvl n LEU 89 N -4.31 0.00 -0.28 6.14 4.77 -0.88 -4.38 117.00 118.07 1hvl n LEU 89 Ca 0.06 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1hvl n LEU 89 Cb 0.48 0.27 0.16 0.00 -2.33 0.00 0.00 43.42 42.01 1hvl n LEU 89 CO 0.35 0.27 1.21 -0.07 -1.33 0.00 0.00 177.39 177.82 1hvl h LEU 90 N 0.00 1.00 -0.80 2.23 3.38 -0.99 -2.34 115.31 117.79 1hvl h LEU 90 Ca -0.29 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1hvl h LEU 90 Cb 1.60 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1hvl h LEU 90 CO 0.02 0.77 0.53 0.71 0.09 0.00 0.00 178.44 180.55 1hvl h THR 91 N 1.15 1.19 0.00 0.22 1.35 -1.59 -1.40 112.91 113.83 1hvl h THR 91 Ca 0.30 -0.37 -0.04 0.00 -0.55 0.00 0.00 66.41 65.75 1hvl h THR 91 Cb -0.05 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.40 1hvl h THR 91 CO -0.06 0.19 -0.20 1.56 -0.25 0.00 0.00 175.52 176.77 1hvl h GLN 92 N 1.07 0.00 -0.15 4.72 4.20 -1.63 -1.71 115.11 121.61 1hvl h GLN 92 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1hvl h GLN 92 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1hvl h GLN 92 CO -0.07 0.20 0.00 0.44 -0.67 0.00 0.00 178.83 178.73 1hvl n ILE 93 N -4.14 0.19 -2.11 2.54 -5.35 -1.00 -4.91 119.36 104.58 1hvl n ILE 93 Ca -0.02 -0.28 -0.02 0.00 -0.27 0.00 0.00 62.75 62.16 1hvl n ILE 93 Cb 0.27 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1hvl n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hvl n GLY 94 N 1.03 0.35 3.74 3.28 0.00 -0.64 -5.00 105.19 107.94 1hvl n GLY 94 Ca 0.14 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1hvl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvl s THR 96 N 0.13 1.58 -0.17 0.00 -4.23 -1.26 -4.74 115.64 106.95 1hvl s THR 96 Ca 0.39 -1.92 -0.13 0.00 -1.18 0.00 0.00 61.69 58.85 1hvl s THR 96 Cb -0.20 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 1hvl s THR 96 CO 0.23 -0.45 0.28 -0.76 -0.54 0.00 0.00 174.62 173.38 1hvl s LEU 97 N -2.77 4.22 -0.07 4.79 1.43 -1.26 -5.07 118.68 119.94 1hvl s LEU 97 Ca 0.15 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1hvl s LEU 97 Cb -0.04 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.86 1hvl s LEU 97 CO 0.05 0.09 -0.09 0.20 0.23 0.00 0.00 176.35 176.82 1hvl s ASN 98 N 0.56 1.67 0.00 2.29 -0.87 -1.26 -5.30 114.94 112.03 1hvl s ASN 98 Ca 0.15 -0.26 0.00 0.00 -1.57 0.00 0.00 52.86 51.19 1hvl s ASN 98 Cb -0.13 -0.74 0.00 0.00 -0.02 0.00 0.00 41.25 40.37 1hvl s ASN 98 CO 0.04 -0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.76