#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvh s GLN 2 N 0.00 2.75 -0.05 0.54 0.74 -1.26 -5.12 119.66 117.27 1hvh s GLN 2 Ca 0.00 -0.84 0.06 0.00 0.05 0.00 0.00 55.36 54.63 1hvh s GLN 2 Cb 0.00 -2.28 -0.01 0.00 1.10 0.00 0.00 33.01 31.82 1hvh s GLN 2 CO 0.00 0.36 -0.23 0.08 -0.55 0.00 0.00 175.29 174.94 1hvh s VAL 3 N -0.08 1.89 0.49 1.34 1.01 -1.26 -5.14 120.40 118.65 1hvh s VAL 3 Ca -0.05 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.01 1hvh s VAL 3 Cb -0.14 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.67 1hvh s VAL 3 CO 0.04 0.53 0.68 0.42 0.00 0.00 0.00 175.10 176.77 1hvh s THR 4 N -0.16 2.71 -0.68 3.92 -4.23 -1.26 -5.04 115.64 110.90 1hvh s THR 4 Ca -0.02 -0.92 0.14 0.00 -1.18 0.00 0.00 61.69 59.71 1hvh s THR 4 Cb -0.13 -2.79 0.47 0.00 1.34 0.00 0.00 72.50 71.39 1hvh s THR 4 CO 0.03 0.00 1.39 0.18 -0.54 0.00 0.00 174.62 175.68 1hvh n LEU 5 N -2.07 3.63 0.16 4.79 4.77 -1.26 -4.43 117.00 122.59 1hvh n LEU 5 Ca 0.10 -2.46 0.13 0.00 -0.03 0.00 0.00 56.01 53.75 1hvh n LEU 5 Cb 0.60 -0.41 0.68 0.00 -2.33 0.00 0.00 43.42 41.95 1hvh n LEU 5 CO 0.40 0.73 1.12 -0.50 -1.33 0.00 0.00 177.39 177.81 1hvh h TRP 6 N 2.33 0.00 -3.49 -1.77 4.06 -2.07 -3.42 115.95 111.59 1hvh h TRP 6 Ca 0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.64 1hvh h TRP 6 Cb 1.13 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.15 1hvh h TRP 6 CO 0.43 0.00 -0.70 -1.14 -3.56 0.00 0.00 178.44 173.47 1hvh s GLN 7 N -5.02 1.06 0.12 0.49 2.00 -1.26 -5.11 119.66 111.95 1hvh s GLN 7 Ca -0.05 -1.47 -0.35 0.00 -2.00 0.00 0.00 55.36 51.49 1hvh s GLN 7 Cb 0.18 -0.51 -0.15 0.00 0.80 0.00 0.00 33.01 33.32 1hvh s GLN 7 CO 0.68 0.01 1.44 0.54 -0.50 0.00 0.00 175.29 177.47 1hvh n ARG 8 N -0.20 1.62 -2.71 1.67 1.74 -1.26 -4.84 116.66 112.66 1hvh n ARG 8 Ca -0.09 0.58 -0.43 0.00 -0.77 0.00 0.00 57.85 57.14 1hvh n ARG 8 Cb 0.61 -2.28 -0.01 0.00 -1.02 0.00 0.00 32.46 29.77 1hvh n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hvh s PRO 9 N 0.64 3.92 -0.17 5.56 0.04 -1.26 -4.94 135.00 138.79 1hvh s PRO 9 Ca 0.81 -2.01 -0.08 0.00 0.04 0.00 0.00 61.00 59.76 1hvh s PRO 9 Cb -0.82 -5.32 -0.04 0.00 0.04 0.00 0.00 34.50 28.36 1hvh s PRO 9 CO 0.43 -2.06 0.11 -0.51 0.04 0.00 0.00 177.00 175.00 1hvh s LEU 10 N 3.44 4.13 0.19 -3.56 1.02 -1.26 -1.43 118.68 121.21 1hvh s LEU 10 Ca 0.48 0.25 0.08 0.00 0.02 0.00 0.00 54.13 54.96 1hvh s LEU 10 Cb 0.01 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 44.13 1hvh s LEU 10 CO 0.01 0.25 -0.16 0.68 0.02 0.00 0.00 176.35 177.15 1hvh s VAL 11 N -0.07 1.77 -0.18 -1.59 -7.23 0.27 -4.96 120.40 108.41 1hvh s VAL 11 Ca 0.09 -2.09 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 1hvh s VAL 11 Cb -0.12 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1hvh s VAL 11 CO 0.00 -0.48 0.48 -0.89 -0.31 0.00 0.00 175.10 173.89 1hvh s THR 12 N -2.60 5.15 -0.01 5.32 2.01 -1.26 -0.56 115.64 123.70 1hvh s THR 12 Ca 0.20 0.89 0.07 0.00 0.31 0.00 0.00 61.69 63.15 1hvh s THR 12 Cb -0.03 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1hvh s THR 12 CO 0.07 0.23 -0.23 0.27 -0.69 0.00 0.00 174.62 174.27 1hvh s ILE 13 N 1.34 2.37 -0.21 1.82 -4.36 -0.03 -1.98 121.20 120.15 1hvh s ILE 13 Ca 0.23 -1.09 -0.05 0.00 -0.26 0.00 0.00 60.65 59.48 1hvh s ILE 13 Cb -0.15 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 1hvh s ILE 13 CO 0.09 0.52 -0.01 -0.75 0.24 0.00 0.00 174.94 175.03 1hvh s LYS 14 N -0.85 3.54 -0.11 0.37 2.20 -0.49 -0.71 119.74 123.69 1hvh s LYS 14 Ca 0.11 -0.55 -0.05 0.00 -0.36 0.00 0.00 55.97 55.12 1hvh s LYS 14 Cb -0.10 -3.08 0.06 0.00 -1.51 0.00 0.00 37.83 33.19 1hvh s LYS 14 CO 0.01 -0.08 0.24 -1.50 -0.36 0.00 0.00 175.35 173.65 1hvh s ILE 15 N 1.23 -0.27 -1.63 5.43 1.10 0.04 -1.27 121.20 125.82 1hvh s ILE 15 Ca 0.03 0.25 0.00 0.00 -0.51 0.00 0.00 60.65 60.42 1hvh s ILE 15 Cb -0.15 -0.40 0.00 0.00 0.15 0.00 0.00 42.46 42.07 1hvh s ILE 15 CO 0.01 0.10 0.00 0.61 -2.11 0.00 0.00 174.94 173.55 1hvh n GLY 16 N 4.98 -0.00 2.14 1.50 0.00 -1.26 -1.63 105.19 110.91 1hvh n GLY 16 Ca -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 1hvh n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvh n GLY 17 N -0.97 0.60 3.18 -0.02 0.00 -1.26 -5.01 105.19 101.72 1hvh n GLY 17 Ca -0.21 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 1hvh n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvh s GLN 18 N -1.74 1.84 -0.14 1.61 -0.21 -0.65 -5.12 119.66 115.26 1hvh s GLN 18 Ca 0.00 -0.70 -0.14 0.00 0.02 0.00 0.00 55.36 54.55 1hvh s GLN 18 Cb 0.00 -1.65 -0.05 0.00 1.00 0.00 0.00 33.01 32.31 1hvh s GLN 18 CO 0.00 0.33 0.31 -0.51 -2.12 0.00 0.00 175.29 173.30 1hvh s LEU 19 N -0.18 4.28 0.29 2.90 1.43 -1.26 -0.78 118.68 125.35 1hvh s LEU 19 Ca 0.00 0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1hvh s LEU 19 Cb -0.10 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.70 1hvh s LEU 19 CO 0.01 0.14 0.31 -0.54 0.23 0.00 0.00 176.35 176.51 1hvh s LYS 20 N 0.20 1.61 -0.03 1.70 1.02 0.11 -5.01 119.74 119.36 1hvh s LYS 20 Ca 0.18 -1.74 0.07 0.00 0.02 0.00 0.00 55.97 54.50 1hvh s LYS 20 Cb -0.13 0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 37.52 1hvh s LYS 20 CO 0.05 -0.61 -0.25 -1.21 -0.92 0.00 0.00 175.35 172.41 1hvh s GLU 21 N -3.61 2.11 0.09 1.68 2.02 -1.26 -0.85 118.70 118.88 1hvh s GLU 21 Ca 0.35 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.46 1hvh s GLU 21 Cb 0.03 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 1hvh s GLU 21 CO 0.19 0.51 -0.05 0.00 0.02 0.00 0.00 175.26 175.93 1hvh s ALA 22 N -0.51 0.89 -0.26 5.21 0.00 0.28 -4.56 121.76 122.80 1hvh s ALA 22 Ca 0.07 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1hvh s ALA 22 Cb -0.10 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1hvh s ALA 22 CO -0.00 -0.27 0.22 -1.17 0.00 0.00 0.00 175.76 174.53 1hvh s LEU 23 N -3.02 4.06 -0.08 0.00 1.98 -0.03 -0.57 118.68 121.02 1hvh s LEU 23 Ca 0.12 0.10 -0.30 0.00 -2.89 0.00 0.00 54.13 51.16 1hvh s LEU 23 Cb 0.06 -2.18 -0.03 0.00 0.66 0.00 0.00 46.19 44.70 1hvh s LEU 23 CO -0.05 -0.03 1.35 -0.76 -1.89 0.00 0.00 176.35 174.97 1hvh s LEU 24 N 1.53 4.26 -0.29 -0.68 1.02 -0.52 -0.72 118.68 123.29 1hvh s LEU 24 Ca 0.09 1.91 -0.01 0.00 0.02 0.00 0.00 54.13 56.14 1hvh s LEU 24 Cb -0.15 -3.55 0.09 0.00 0.02 0.00 0.00 46.19 42.60 1hvh s LEU 24 CO 0.08 -0.74 0.08 -0.62 0.02 0.00 0.00 176.35 175.18 1hvh s ASP 25 N 2.08 3.80 0.52 2.29 -1.08 0.49 -4.83 116.67 119.94 1hvh s ASP 25 Ca 0.60 -1.46 0.35 0.00 -0.52 0.00 0.00 52.55 51.52 1hvh s ASP 25 Cb -0.27 -0.79 1.76 0.00 -1.46 0.00 0.00 42.92 42.17 1hvh s ASP 25 CO 0.21 -0.39 2.05 0.71 0.52 0.00 0.00 175.17 178.27 1hvh h THR 26 N 6.49 0.00 -0.01 1.71 1.35 -1.94 -2.20 112.91 118.32 1hvh h THR 26 Ca -0.15 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1hvh h THR 26 Cb 1.03 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1hvh h THR 26 CO 0.44 0.00 -0.17 0.61 -0.25 0.00 0.00 175.52 176.16 1hvh n GLY 27 N -0.80 -0.70 3.58 5.82 0.00 -1.26 -4.82 105.19 107.02 1hvh n GLY 27 Ca -0.01 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1hvh n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvh s ALA 28 N -2.44 3.53 0.19 4.61 0.00 -0.83 -4.97 121.76 121.85 1hvh s ALA 28 Ca 0.28 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 1hvh s ALA 28 Cb 0.20 -2.55 0.11 0.00 0.00 0.00 0.00 23.12 20.87 1hvh s ALA 28 CO 0.48 -0.65 1.74 -0.44 0.00 0.00 0.00 175.76 176.89 1hvh h ASP 29 N 8.37 0.94 -1.80 0.00 3.32 -1.88 0.65 116.42 126.02 1hvh h ASP 29 Ca -0.34 -0.18 -0.58 0.00 0.02 0.00 0.00 57.03 55.96 1hvh h ASP 29 Cb 1.18 -0.24 -0.10 0.00 0.22 0.00 0.00 39.33 40.39 1hvh h ASP 29 CO 0.58 0.86 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.58 1hvh s ASP 30 N -6.21 4.31 -0.20 6.45 1.01 -1.26 -1.85 116.67 118.91 1hvh s ASP 30 Ca -0.13 -1.01 -0.09 0.00 0.71 0.00 0.00 52.55 52.04 1hvh s ASP 30 Cb 0.14 -0.54 -0.05 0.00 1.01 0.00 0.00 42.92 43.49 1hvh s ASP 30 CO 0.81 -0.35 0.10 -0.89 0.21 0.00 0.00 175.17 175.06 1hvh s THR 31 N -2.54 5.09 -0.14 -1.27 2.01 -1.26 -3.48 115.64 114.05 1hvh s THR 31 Ca 0.37 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.44 1hvh s THR 31 Cb 0.01 -3.32 0.04 0.00 0.01 0.00 0.00 72.50 69.24 1hvh s THR 31 CO 0.21 0.42 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.83 1hvh s VAL 32 N 0.56 0.91 0.06 3.82 1.01 -0.88 -0.45 120.40 125.43 1hvh s VAL 32 Ca 0.06 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1hvh s VAL 32 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1hvh s VAL 32 CO 0.00 0.17 0.10 -0.76 0.00 0.00 0.00 175.10 174.62 1hvh s LEU 33 N 1.73 3.89 1.43 3.92 1.43 0.94 -0.79 118.68 131.23 1hvh s LEU 33 Ca 0.02 0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 52.94 1hvh s LEU 33 Cb -0.14 -2.51 0.37 0.00 0.03 0.00 0.00 46.19 43.94 1hvh s LEU 33 CO -0.07 0.19 0.94 -1.83 0.23 0.00 0.00 176.35 175.81 1hvh s GLU 34 N -2.29 -2.98 0.07 1.70 -1.05 -1.25 -0.50 118.70 112.40 1hvh s GLU 34 Ca 0.29 0.05 -0.31 0.00 -0.15 0.00 0.00 54.97 54.85 1hvh s GLU 34 Cb -0.12 -1.38 -0.06 0.00 -0.44 0.00 0.00 34.13 32.13 1hvh s GLU 34 CO 0.21 -4.89 1.20 -1.83 0.95 0.00 0.00 175.26 170.91 1hvh s GLU 35 N -5.17 4.43 0.18 -4.83 1.03 -0.85 -4.05 118.70 109.44 1hvh s GLU 35 Ca 0.69 1.78 -0.14 0.00 0.03 0.00 0.00 54.97 57.33 1hvh s GLU 35 Cb -0.12 -3.34 0.01 0.00 -0.80 0.00 0.00 34.13 29.88 1hvh s GLU 35 CO 0.57 -0.25 0.41 0.00 -1.33 0.00 0.00 175.26 174.66 1hvh s MET 36 N 1.01 1.25 -0.71 -4.83 0.23 -1.26 -5.04 119.30 109.95 1hvh s MET 36 Ca 0.58 -0.99 -0.27 0.00 -1.03 0.00 0.00 55.69 53.99 1hvh s MET 36 Cb -0.30 0.45 0.02 0.00 -1.53 0.00 0.00 34.83 33.47 1hvh s MET 36 CO 0.29 -0.50 1.45 -1.54 -2.03 0.00 0.00 175.02 172.70 1hvh s SER 37 N -2.91 5.91 -0.15 -1.18 1.04 -1.26 -4.97 113.70 110.17 1hvh s SER 37 Ca 0.12 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 1hvh s SER 37 Cb 0.01 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 1hvh s SER 37 CO -0.02 -1.99 -0.14 -0.76 0.98 0.00 0.00 173.24 171.30 1hvh s LEU 38 N 6.70 2.56 0.55 2.42 1.43 -1.26 -5.00 118.68 126.08 1hvh s LEU 38 Ca 0.45 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 1hvh s LEU 38 Cb -0.09 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1hvh s LEU 38 CO 0.16 0.10 0.95 -2.16 0.23 0.00 0.00 176.35 175.62 1hvh s PRO 39 N 0.75 3.69 0.00 1.29 0.04 -1.26 -4.90 135.00 134.61 1hvh s PRO 39 Ca -0.06 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1hvh s PRO 39 Cb -0.15 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1hvh s PRO 39 CO 0.01 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1hvh n GLY 40 N -2.23 0.51 3.96 0.56 0.00 -1.26 -5.03 105.19 101.71 1hvh n GLY 40 Ca 0.05 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 1hvh n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hvh s ARG 41 N -1.36 3.44 0.04 1.61 3.00 -1.26 -5.13 118.95 119.30 1hvh s ARG 41 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 55.73 55.02 1hvh s ARG 41 Cb 0.00 -2.82 -0.00 0.00 0.00 0.00 0.00 34.95 32.13 1hvh s ARG 41 CO 0.00 0.33 0.14 1.67 0.00 0.00 0.00 175.30 177.44 1hvh s TRP 42 N -2.09 0.14 0.00 -0.53 1.48 -1.26 -4.69 118.94 111.99 1hvh s TRP 42 Ca 0.36 -0.42 -0.03 0.00 -1.06 0.00 0.00 56.10 54.95 1hvh s TRP 42 Cb -0.09 -0.09 -0.04 0.00 -1.16 0.00 0.00 33.47 32.08 1hvh s TRP 42 CO 0.31 -0.40 0.20 0.15 -4.06 0.00 0.00 176.95 173.15 1hvh s LYS 43 N -2.67 3.47 0.39 3.25 1.02 0.52 -4.81 119.74 120.92 1hvh s LYS 43 Ca -0.04 -0.28 -0.26 0.00 0.02 0.00 0.00 55.97 55.41 1hvh s LYS 43 Cb -0.01 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 1hvh s LYS 43 CO -0.05 0.66 1.19 -2.14 -0.92 0.00 0.00 175.35 174.09 1hvh s PRO 44 N -1.96 4.07 0.16 -1.68 0.01 -1.26 0.21 135.00 134.55 1hvh s PRO 44 Ca 0.28 1.89 -0.17 0.00 0.01 0.00 0.00 61.00 63.02 1hvh s PRO 44 Cb -0.13 -2.72 0.03 0.00 0.01 0.00 0.00 34.50 31.70 1hvh s PRO 44 CO 0.19 -0.32 0.46 0.21 0.01 0.00 0.00 177.00 177.55 1hvh s LYS 45 N -2.25 1.23 -0.27 5.54 2.20 0.22 -4.76 119.74 121.66 1hvh s LYS 45 Ca 0.56 -0.79 -0.01 0.00 -0.36 0.00 0.00 55.97 55.37 1hvh s LYS 45 Cb -0.32 0.50 0.08 0.00 -1.51 0.00 0.00 37.83 36.58 1hvh s LYS 45 CO 0.40 -0.51 0.05 0.00 -0.36 0.00 0.00 175.35 174.94 1hvh s MET 46 N -3.84 0.93 -0.01 4.03 0.23 -1.26 0.46 119.30 119.84 1hvh s MET 46 Ca 0.07 -0.94 -0.05 0.00 -1.03 0.00 0.00 55.69 53.74 1hvh s MET 46 Cb 0.00 -2.22 -0.04 0.00 -1.53 0.00 0.00 34.83 31.04 1hvh s MET 46 CO -0.07 -0.82 0.21 0.42 -2.03 0.00 0.00 175.02 172.74 1hvh s ILE 47 N 1.59 5.39 0.03 3.16 -1.09 -1.04 -4.91 121.20 124.32 1hvh s ILE 47 Ca 0.04 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 1hvh s ILE 47 Cb -0.18 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1hvh s ILE 47 CO -0.16 0.36 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.00 1hvh s GLY 48 N -1.77 0.51 0.00 6.18 0.00 -1.26 -0.59 107.32 110.38 1hvh s GLY 48 Ca 0.26 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1hvh s GLY 48 CO 0.16 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.27 1hvh n GLY 49 N 2.09 3.31 2.89 0.20 0.00 -1.04 -5.00 105.19 107.64 1hvh n GLY 49 Ca -0.18 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1hvh n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hvh s ILE 50 N 2.24 0.08 -0.83 -0.61 1.01 -1.26 -4.14 121.20 117.69 1hvh s ILE 50 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1hvh s ILE 50 Cb 0.00 -0.08 0.21 0.00 0.01 0.00 0.00 42.46 42.61 1hvh s ILE 50 CO 0.00 0.02 0.73 0.61 0.00 0.00 0.00 174.94 176.31 1hvh n GLY 51 N 3.05 4.22 0.00 6.18 0.00 -1.26 -5.02 105.19 112.35 1hvh n GLY 51 Ca -0.12 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.28 1hvh n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvh n GLY 52 N 2.00 2.58 3.41 -0.02 0.00 -1.26 -5.12 105.19 106.79 1hvh n GLY 52 Ca 0.22 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1hvh n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hvh s PHE 53 N -2.00 2.97 0.49 1.61 -0.71 -1.26 -2.48 117.98 116.60 1hvh s PHE 53 Ca 0.00 -0.59 0.04 0.00 -1.04 0.00 0.00 56.93 55.35 1hvh s PHE 53 Cb 0.00 -2.02 0.02 0.00 -1.21 0.00 0.00 43.02 39.81 1hvh s PHE 53 CO 0.00 -0.27 0.68 0.96 -1.34 0.00 0.00 175.22 175.25 1hvh s ILE 54 N 0.87 2.85 -0.17 -4.49 -4.36 0.24 -4.95 121.20 111.19 1hvh s ILE 54 Ca -0.01 -0.81 -0.01 0.00 -0.26 0.00 0.00 60.65 59.56 1hvh s ILE 54 Cb -0.15 -3.01 -0.00 0.00 1.25 0.00 0.00 42.46 40.55 1hvh s ILE 54 CO 0.01 -0.01 -0.13 -0.75 0.24 0.00 0.00 174.94 174.31 1hvh s LYS 55 N -4.57 3.24 0.31 0.37 2.20 -1.26 -2.50 119.74 117.52 1hvh s LYS 55 Ca 0.56 -0.72 0.04 0.00 -0.36 0.00 0.00 55.97 55.49 1hvh s LYS 55 Cb -0.10 -2.72 -0.06 0.00 -1.51 0.00 0.00 37.83 33.44 1hvh s LYS 55 CO 0.36 -0.05 0.05 0.14 -0.36 0.00 0.00 175.35 175.49 1hvh s VAL 56 N 1.01 1.13 -0.26 4.02 -7.23 0.17 -4.62 120.40 114.61 1hvh s VAL 56 Ca -0.01 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.06 1hvh s VAL 56 Cb -0.15 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 1hvh s VAL 56 CO -0.02 -0.04 0.12 -0.13 -0.31 0.00 0.00 175.10 174.71 1hvh s ARG 57 N -3.90 3.73 -0.07 4.82 3.00 -0.22 0.69 118.95 127.00 1hvh s ARG 57 Ca 0.36 -0.44 -0.24 0.00 0.00 0.00 0.00 55.73 55.40 1hvh s ARG 57 Cb 0.08 -3.45 -0.03 0.00 0.00 0.00 0.00 34.95 31.54 1hvh s ARG 57 CO 0.15 -0.20 0.74 -1.14 0.00 0.00 0.00 175.30 174.84 1hvh s GLN 58 N 1.66 4.44 -0.02 3.54 0.74 0.57 -0.56 119.66 130.03 1hvh s GLN 58 Ca 0.06 0.94 0.06 0.00 0.05 0.00 0.00 55.36 56.48 1hvh s GLN 58 Cb -0.16 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.48 1hvh s GLN 58 CO 0.06 0.02 -0.19 0.71 -0.55 0.00 0.00 175.29 175.34 1hvh s TYR 59 N 0.93 1.70 0.43 1.67 1.51 -0.60 -0.35 117.35 122.63 1hvh s TYR 59 Ca 0.39 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 56.18 1hvh s TYR 59 Cb -0.18 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.52 1hvh s TYR 59 CO 0.19 -0.03 0.02 0.16 -1.11 0.00 0.00 175.55 174.77 1hvh s ASP 60 N -0.43 3.78 -1.50 2.29 1.47 -1.26 -1.27 116.67 119.75 1hvh s ASP 60 Ca 0.07 -1.45 -0.07 0.00 1.18 0.00 0.00 52.55 52.28 1hvh s ASP 60 Cb -0.07 -0.13 0.06 0.00 -0.34 0.00 0.00 42.92 42.44 1hvh s ASP 60 CO -0.01 -0.57 0.65 0.00 0.68 0.00 0.00 175.17 175.92 1hvh n GLN 61 N -1.01 -3.85 -3.75 2.11 1.13 -1.09 -4.89 117.38 106.02 1hvh n GLN 61 Ca -0.08 0.46 -0.35 0.00 -1.94 0.00 0.00 57.00 55.08 1hvh n GLN 61 Cb 0.67 -4.93 -0.09 0.00 0.11 0.00 0.00 30.24 26.00 1hvh n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hvh s ILE 62 N -3.63 5.27 -0.13 5.09 1.01 -0.17 -4.77 121.20 123.87 1hvh s ILE 62 Ca 0.32 0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.82 1hvh s ILE 62 Cb -0.17 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1hvh s ILE 62 CO 0.88 0.41 1.34 -0.22 0.00 0.00 0.00 174.94 177.35 1hvh s LEU 63 N 0.62 4.22 -0.07 2.97 0.20 -1.26 -2.06 118.68 123.30 1hvh s LEU 63 Ca 0.07 1.83 0.04 0.00 0.69 0.00 0.00 54.13 56.76 1hvh s LEU 63 Cb -0.12 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.10 1hvh s LEU 63 CO 0.01 -0.78 -0.18 -0.63 -0.29 0.00 0.00 176.35 174.47 1hvh s ILE 64 N 3.46 1.58 -0.36 6.68 1.09 0.42 -4.31 121.20 129.75 1hvh s ILE 64 Ca 0.59 -0.76 -0.08 0.00 -1.10 0.00 0.00 60.65 59.30 1hvh s ILE 64 Cb -0.25 -1.38 0.04 0.00 -1.06 0.00 0.00 42.46 39.82 1hvh s ILE 64 CO 0.19 0.45 0.15 -0.70 -0.10 0.00 0.00 174.94 174.93 1hvh s GLU 65 N 0.33 2.67 -0.21 2.79 2.12 -0.40 -0.42 118.70 125.59 1hvh s GLU 65 Ca -0.12 -1.18 -0.07 0.00 0.36 0.00 0.00 54.97 53.95 1hvh s GLU 65 Cb -0.15 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 1hvh s GLU 65 CO 0.05 -0.71 0.06 0.42 -0.54 0.00 0.00 175.26 174.54 1hvh s ILE 66 N 1.45 4.52 0.00 -3.70 1.01 0.27 -1.40 121.20 123.35 1hvh s ILE 66 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1hvh s ILE 66 Cb -0.20 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1hvh s ILE 66 CO 0.04 0.40 0.00 0.00 0.00 0.00 0.00 174.94 175.38 1hvh h GLY 68 N 0.00 0.00 -3.48 0.00 0.00 -1.90 -3.47 103.07 94.22 1hvh h GLY 68 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1hvh h GLY 68 CO 0.00 0.00 0.67 0.30 0.00 0.00 0.00 176.54 177.51 1hvh s HIS 69 N -3.24 2.63 0.00 5.60 3.76 -0.19 -5.00 115.29 118.85 1hvh s HIS 69 Ca 0.01 1.32 0.02 0.00 -0.15 0.00 0.00 55.06 56.26 1hvh s HIS 69 Cb 0.08 -3.82 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 1hvh s HIS 69 CO 0.77 -2.56 -0.03 0.15 -0.85 0.00 0.00 174.74 172.22 1hvh s LYS 70 N -2.32 2.66 0.10 1.40 1.02 -1.26 0.94 119.74 122.28 1hvh s LYS 70 Ca 0.58 -0.67 -0.10 0.00 0.02 0.00 0.00 55.97 55.80 1hvh s LYS 70 Cb -0.41 -2.58 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 1hvh s LYS 70 CO 0.54 0.61 0.24 0.00 -0.92 0.00 0.00 175.35 175.82 1hvh s ALA 71 N -1.05 -0.37 -0.03 5.17 0.00 0.44 -4.90 121.76 121.02 1hvh s ALA 71 Ca 0.19 -0.51 -0.00 0.00 0.00 0.00 0.00 51.96 51.63 1hvh s ALA 71 Cb -0.11 0.55 0.03 0.00 0.00 0.00 0.00 23.12 23.59 1hvh s ALA 71 CO 0.09 -0.55 0.01 0.42 0.00 0.00 0.00 175.76 175.74 1hvh s ILE 72 N -3.86 0.12 0.00 0.00 1.01 -1.26 -0.44 121.20 116.77 1hvh s ILE 72 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1hvh s ILE 72 Cb 0.04 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.26 1hvh s ILE 72 CO -0.11 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1hvh n GLY 73 N 4.40 0.81 3.67 6.18 0.00 -0.87 -4.84 105.19 114.53 1hvh n GLY 73 Ca -0.22 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1hvh n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hvh s THR 74 N -2.20 4.79 -0.08 2.61 2.01 -1.26 -1.00 115.64 120.52 1hvh s THR 74 Ca 0.00 1.87 0.05 0.00 0.31 0.00 0.00 61.69 63.92 1hvh s THR 74 Cb 0.00 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 1hvh s THR 74 CO 0.00 -0.04 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.95 1hvh s VAL 75 N 2.43 2.04 -0.19 3.82 1.01 -0.40 -4.49 120.40 124.62 1hvh s VAL 75 Ca 0.43 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 1hvh s VAL 75 Cb -0.17 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1hvh s VAL 75 CO 0.12 0.56 0.06 -0.76 0.00 0.00 0.00 175.10 175.08 1hvh s LEU 76 N 0.08 3.78 -0.07 3.92 1.43 0.40 -1.56 118.68 126.67 1hvh s LEU 76 Ca -0.11 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1hvh s LEU 76 Cb -0.16 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1hvh s LEU 76 CO 0.06 0.15 0.01 -0.69 0.23 0.00 0.00 176.35 176.11 1hvh s VAL 77 N 0.49 4.33 -1.11 -1.59 1.01 0.27 -0.04 120.40 123.76 1hvh s VAL 77 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1hvh s VAL 77 Cb -0.13 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1hvh s VAL 77 CO 0.01 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1hvh n GLY 78 N 1.97 -1.08 3.48 4.51 0.00 0.34 -1.06 105.19 113.36 1hvh n GLY 78 Ca -0.18 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1hvh n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hvh s PRO 79 N -0.44 3.19 0.01 1.61 0.04 -1.26 -2.00 135.00 136.14 1hvh s PRO 79 Ca 0.00 -0.59 0.01 0.00 0.04 0.00 0.00 61.00 60.46 1hvh s PRO 79 Cb 0.00 -4.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.36 1hvh s PRO 79 CO 0.00 -1.75 -0.04 -0.08 0.04 0.00 0.00 177.00 175.17 1hvh s THR 80 N 4.21 0.27 -0.58 1.26 -1.32 -1.26 -5.00 115.64 113.22 1hvh s THR 80 Ca 0.26 -0.40 0.22 0.00 -1.21 0.00 0.00 61.69 60.55 1hvh s THR 80 Cb -0.15 -0.28 0.22 0.00 -1.51 0.00 0.00 72.50 70.79 1hvh s THR 80 CO 0.13 -0.09 1.66 -0.81 -2.21 0.00 0.00 174.62 173.30 1hvh n PRO 81 N 2.54 0.16 -3.87 7.08 -0.04 -1.26 -4.66 135.00 134.94 1hvh n PRO 81 Ca -0.16 0.39 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1hvh n PRO 81 Cb 0.58 -1.80 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 1hvh n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hvh s VAL 82 N -3.26 0.08 -0.27 0.52 1.01 -1.26 -5.08 120.40 112.14 1hvh s VAL 82 Ca 0.05 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1hvh s VAL 82 Cb 0.09 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1hvh s VAL 82 CO 0.37 -0.34 1.03 0.20 0.00 0.00 0.00 175.10 176.35 1hvh s ASN 83 N -1.23 7.00 -0.09 3.32 0.01 -1.26 -4.54 114.94 118.14 1hvh s ASN 83 Ca -0.13 1.20 0.02 0.00 -0.71 0.00 0.00 52.86 53.24 1hvh s ASN 83 Cb -0.07 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1hvh s ASN 83 CO 0.01 -0.74 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.07 1hvh s ILE 84 N 3.34 2.81 -0.31 0.60 1.01 0.03 -0.85 121.20 127.83 1hvh s ILE 84 Ca 0.43 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 1hvh s ILE 84 Cb -0.14 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 1hvh s ILE 84 CO 0.10 0.56 0.13 -0.63 0.00 0.00 0.00 174.94 175.09 1hvh s ILE 85 N -0.07 4.36 0.63 2.92 -1.09 0.10 -2.07 121.20 125.98 1hvh s ILE 85 Ca -0.04 -0.53 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1hvh s ILE 85 Cb -0.14 -3.23 0.10 0.00 -1.58 0.00 0.00 42.46 37.60 1hvh s ILE 85 CO 0.04 0.07 0.86 -0.83 -1.23 0.00 0.00 174.94 173.85 1hvh s GLY 86 N 1.57 1.76 0.58 6.18 0.00 -1.23 -0.38 107.32 115.80 1hvh s GLY 86 Ca 0.04 -1.93 0.33 0.00 0.00 0.00 0.00 44.72 43.16 1hvh s GLY 86 CO 0.05 -1.45 2.19 3.21 0.00 0.00 0.00 173.10 177.10 1hvh h ARG 87 N -0.09 0.00 0.00 2.90 3.08 0.48 -1.23 114.38 119.53 1hvh h ARG 87 Ca -0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1hvh h ARG 87 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 1hvh h ARG 87 CO 0.41 0.05 -0.04 -2.95 -1.07 0.00 0.00 179.97 176.36 1hvh h ASN 88 N 0.00 0.00 0.06 7.04 -1.07 -1.61 -1.74 115.58 118.26 1hvh h ASN 88 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.00 1hvh h ASN 88 Cb 0.18 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.36 1hvh h ASN 88 CO 0.01 0.04 -2.33 0.18 0.07 0.00 0.00 177.43 175.40 1hvh n LEU 89 N -4.21 1.06 -0.02 6.14 7.99 -0.56 -4.30 117.00 123.10 1hvh n LEU 89 Ca -0.03 0.01 0.06 0.00 -0.01 0.00 0.00 56.01 56.05 1hvh n LEU 89 Cb 0.13 -0.01 0.45 0.00 -0.11 0.00 0.00 43.42 43.87 1hvh n LEU 89 CO 0.32 0.63 1.17 -0.07 -1.51 0.00 0.00 177.39 177.93 1hvh h LEU 90 N 0.00 0.43 -1.06 2.23 4.07 -1.07 0.18 115.31 120.09 1hvh h LEU 90 Ca -0.53 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.34 1hvh h LEU 90 Cb 2.12 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 43.74 1hvh h LEU 90 CO 0.00 0.30 -0.44 0.74 -1.08 0.00 0.00 178.44 177.97 1hvh h THR 91 N 0.51 1.19 0.06 0.22 2.02 -1.51 -0.30 112.91 115.10 1hvh h THR 91 Ca 0.18 -1.56 -0.25 0.00 0.77 0.00 0.00 66.41 65.54 1hvh h THR 91 Cb 0.09 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1hvh h THR 91 CO -0.04 0.43 -1.22 1.56 0.37 0.00 0.00 175.52 176.61 1hvh h GLN 92 N 0.00 0.13 -0.28 6.66 4.20 -1.18 -3.11 115.11 121.54 1hvh h GLN 92 Ca -0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1hvh h GLN 92 Cb 0.84 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1hvh h GLN 92 CO 0.06 1.05 0.00 0.44 -0.67 0.00 0.00 178.83 179.71 1hvh n ILE 93 N -3.40 0.37 -1.92 2.54 -5.35 -0.77 -4.91 119.36 105.92 1hvh n ILE 93 Ca -0.07 -0.39 -0.15 0.00 -0.27 0.00 0.00 62.75 61.87 1hvh n ILE 93 Cb 0.99 0.22 -0.03 0.00 -1.74 0.00 0.00 39.64 39.08 1hvh n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hvh n GLY 94 N 1.01 0.52 3.77 3.28 0.00 -1.08 -5.00 105.19 107.68 1hvh n GLY 94 Ca 0.11 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1hvh n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvh s ALA 95 N -2.66 3.14 0.06 4.61 0.00 -0.14 -5.01 121.76 121.75 1hvh s ALA 95 Ca 0.00 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.18 1hvh s ALA 95 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1hvh s ALA 95 CO 0.00 -0.83 -0.17 0.95 0.00 0.00 0.00 175.76 175.71 1hvh s THR 96 N -1.34 1.36 -0.06 0.00 -4.23 -1.26 -4.76 115.64 105.36 1hvh s THR 96 Ca 0.60 -1.19 -0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1hvh s THR 96 Cb -0.36 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 1hvh s THR 96 CO 0.45 0.01 0.05 -0.22 -0.54 0.00 0.00 174.62 174.38 1hvh s LEU 97 N -1.37 3.83 -0.01 4.79 0.20 -1.26 -5.08 118.68 119.78 1hvh s LEU 97 Ca 0.03 0.19 0.01 0.00 0.69 0.00 0.00 54.13 55.05 1hvh s LEU 97 Cb -0.09 -2.04 0.00 0.00 -0.43 0.00 0.00 46.19 43.64 1hvh s LEU 97 CO 0.02 0.34 -0.02 0.20 -0.29 0.00 0.00 176.35 176.60 1hvh s ASN 98 N -1.26 0.32 0.00 3.68 0.01 -1.26 -5.30 114.94 111.13 1hvh s ASN 98 Ca 0.17 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1hvh s ASN 98 Cb -0.12 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.47 1hvh s ASN 98 CO 0.07 0.00 0.00 2.22 -1.51 0.00 0.00 177.10 177.88