#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvi s GLN 2 N 0.00 2.91 -0.21 0.54 0.74 -1.26 -5.09 119.66 117.29 1hvi s GLN 2 Ca 0.00 -1.00 -0.09 0.00 0.05 0.00 0.00 55.36 54.32 1hvi s GLN 2 Cb 0.00 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 1hvi s GLN 2 CO 0.00 -0.58 0.12 0.42 -0.55 0.00 0.00 175.29 174.71 1hvi s ILE 3 N 1.50 5.20 0.62 -2.34 1.01 -1.26 -5.09 121.20 120.85 1hvi s ILE 3 Ca 0.01 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.75 1hvi s ILE 3 Cb -0.18 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 38.94 1hvi s ILE 3 CO 0.04 0.41 0.89 0.42 0.00 0.00 0.00 174.94 176.70 1hvi s THR 4 N 0.65 2.60 -0.18 2.92 -4.23 -1.26 -5.02 115.64 111.12 1hvi s THR 4 Ca 0.07 -0.43 0.16 0.00 -1.18 0.00 0.00 61.69 60.31 1hvi s THR 4 Cb -0.12 -3.05 0.44 0.00 1.34 0.00 0.00 72.50 71.11 1hvi s THR 4 CO 0.01 -0.04 1.33 0.18 -0.54 0.00 0.00 174.62 175.55 1hvi n LEU 5 N -2.62 3.36 0.15 4.79 4.77 -1.26 -4.48 117.00 121.71 1hvi n LEU 5 Ca 0.07 -3.19 0.02 0.00 -0.03 0.00 0.00 56.01 52.88 1hvi n LEU 5 Cb 0.60 -0.52 0.35 0.00 -2.33 0.00 0.00 43.42 41.52 1hvi n LEU 5 CO 0.49 0.80 0.77 -0.50 -1.33 0.00 0.00 177.39 177.61 1hvi h TRP 6 N 1.06 0.13 -2.06 -1.77 4.06 -2.05 -3.42 115.95 111.90 1hvi h TRP 6 Ca 0.03 -0.02 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 1hvi h TRP 6 Cb 1.31 -0.03 -0.08 0.00 -1.00 0.00 0.00 29.16 29.35 1hvi h TRP 6 CO 0.42 0.41 -0.58 -0.65 -3.56 0.00 0.00 178.44 174.48 1hvi s GLN 7 N -4.37 2.41 0.14 0.49 -0.21 -1.26 -5.09 119.66 111.78 1hvi s GLN 7 Ca -0.04 -1.42 -0.34 0.00 0.02 0.00 0.00 55.36 53.57 1hvi s GLN 7 Cb 0.15 -2.22 -0.15 0.00 1.00 0.00 0.00 33.01 31.78 1hvi s GLN 7 CO 0.74 0.26 1.36 0.54 -2.12 0.00 0.00 175.29 176.06 1hvi n ARG 8 N -1.04 1.49 -1.50 2.91 1.74 -1.26 -4.82 116.66 114.17 1hvi n ARG 8 Ca -0.05 0.54 -0.41 0.00 -0.77 0.00 0.00 57.85 57.16 1hvi n ARG 8 Cb 0.60 -2.17 -0.02 0.00 -1.02 0.00 0.00 32.46 29.85 1hvi n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hvi n PRO 9 N 2.46 2.74 -3.04 5.56 -0.04 -1.26 -4.92 135.00 136.50 1hvi n PRO 9 Ca 0.16 -2.34 -0.40 0.00 -0.04 0.00 0.00 63.50 60.88 1hvi n PRO 9 Cb 0.24 -3.09 -0.05 0.00 -0.04 0.00 0.00 33.50 30.56 1hvi n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hvi s LEU 10 N 1.54 4.20 0.44 1.53 1.43 -1.26 -0.88 118.68 125.69 1hvi s LEU 10 Ca 0.52 1.02 0.03 0.00 -1.03 0.00 0.00 54.13 54.67 1hvi s LEU 10 Cb 0.15 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1hvi s LEU 10 CO -0.05 -0.26 0.04 0.68 0.23 0.00 0.00 176.35 176.99 1hvi s VAL 11 N 1.66 1.21 -0.14 -1.59 -7.23 0.86 -4.88 120.40 110.29 1hvi s VAL 11 Ca 0.33 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 1hvi s VAL 11 Cb -0.16 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1hvi s VAL 11 CO 0.13 0.00 0.39 -0.89 -0.31 0.00 0.00 175.10 174.41 1hvi s THR 12 N -2.97 5.25 0.20 5.32 2.01 -1.26 0.46 115.64 124.65 1hvi s THR 12 Ca 0.20 0.75 0.09 0.00 0.31 0.00 0.00 61.69 63.05 1hvi s THR 12 Cb 0.05 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1hvi s THR 12 CO 0.10 0.36 -0.09 0.27 -0.69 0.00 0.00 174.62 174.57 1hvi s ILE 13 N 0.56 3.15 -0.12 1.82 -4.36 0.12 -2.87 121.20 119.49 1hvi s ILE 13 Ca 0.21 -1.77 0.02 0.00 -0.26 0.00 0.00 60.65 58.85 1hvi s ILE 13 Cb -0.14 -2.59 -0.00 0.00 1.25 0.00 0.00 42.46 40.98 1hvi s ILE 13 CO 0.07 -0.18 -0.20 -0.75 0.24 0.00 0.00 174.94 174.12 1hvi s LYS 14 N -3.02 3.14 -0.07 0.37 2.20 0.07 -1.02 119.74 121.40 1hvi s LYS 14 Ca 0.26 -0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 55.00 1hvi s LYS 14 Cb -0.08 -2.44 0.02 0.00 -1.51 0.00 0.00 37.83 33.83 1hvi s LYS 14 CO 0.16 0.13 0.19 -1.50 -0.36 0.00 0.00 175.35 173.96 1hvi s ILE 15 N 0.50 -0.01 -1.24 5.43 2.07 0.07 -1.14 121.20 126.88 1hvi s ILE 15 Ca -0.13 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 1hvi s ILE 15 Cb -0.17 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.15 1hvi s ILE 15 CO 0.05 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1hvi n GLY 16 N 3.28 1.15 3.05 1.50 0.00 -1.26 0.44 105.19 113.34 1hvi n GLY 16 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1hvi n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvi n GLY 17 N -0.12 1.18 3.90 -0.02 0.00 -1.26 -5.04 105.19 103.82 1hvi n GLY 17 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1hvi n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvi s GLN 18 N -0.04 3.57 -0.16 1.61 -1.52 0.17 -5.09 119.66 118.20 1hvi s GLN 18 Ca 0.00 -0.17 -0.17 0.00 -1.95 0.00 0.00 55.36 53.07 1hvi s GLN 18 Cb 0.00 -2.97 -0.04 0.00 -0.22 0.00 0.00 33.01 29.78 1hvi s GLN 18 CO 0.00 0.56 0.43 -0.51 -0.25 0.00 0.00 175.29 175.52 1hvi s LEU 19 N -2.35 4.22 0.20 2.90 1.02 -1.26 -0.75 118.68 122.67 1hvi s LEU 19 Ca 0.35 0.67 0.00 0.00 0.02 0.00 0.00 54.13 55.17 1hvi s LEU 19 Cb -0.13 -2.59 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 1hvi s LEU 19 CO 0.23 -0.02 0.09 -0.54 0.02 0.00 0.00 176.35 176.12 1hvi s LYS 20 N 0.90 1.21 -0.07 1.70 1.02 -0.19 -4.97 119.74 119.35 1hvi s LYS 20 Ca 0.22 -1.63 -0.03 0.00 0.02 0.00 0.00 55.97 54.56 1hvi s LYS 20 Cb -0.15 0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 1hvi s LYS 20 CO 0.08 -0.30 0.06 -1.21 -0.92 0.00 0.00 175.35 173.07 1hvi s GLU 21 N -4.06 3.11 0.05 1.68 2.02 -1.26 0.14 118.70 120.38 1hvi s GLU 21 Ca 0.34 -0.37 -0.05 0.00 0.02 0.00 0.00 54.97 54.91 1hvi s GLU 21 Cb 0.07 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 1hvi s GLU 21 CO 0.10 0.70 0.07 0.00 0.02 0.00 0.00 175.26 176.15 1hvi s ALA 22 N -1.02 0.07 -0.18 5.21 0.00 0.17 -4.52 121.76 121.49 1hvi s ALA 22 Ca 0.17 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 1hvi s ALA 22 Cb -0.12 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1hvi s ALA 22 CO 0.07 -0.36 0.53 -1.17 0.00 0.00 0.00 175.76 174.82 1hvi s LEU 23 N -2.47 4.18 -0.42 0.00 2.96 0.10 -0.10 118.68 122.93 1hvi s LEU 23 Ca -0.00 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.36 1hvi s LEU 23 Cb 0.02 -2.74 0.02 0.00 0.50 0.00 0.00 46.19 43.99 1hvi s LEU 23 CO -0.07 -0.15 1.26 -0.76 -1.32 0.00 0.00 176.35 175.31 1hvi s LEU 24 N 1.43 3.67 -0.37 -0.68 1.43 -0.06 -0.58 118.68 123.53 1hvi s LEU 24 Ca 0.25 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1hvi s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 1hvi s LEU 24 CO 0.10 -1.27 0.11 -0.62 0.23 0.00 0.00 176.35 174.89 1hvi s ASP 25 N 3.02 4.43 0.38 2.29 2.15 -0.22 -4.83 116.67 123.88 1hvi s ASP 25 Ca 0.54 -2.19 0.27 0.00 0.43 0.00 0.00 52.55 51.61 1hvi s ASP 25 Cb -0.11 -1.39 1.27 0.00 -0.30 0.00 0.00 42.92 42.39 1hvi s ASP 25 CO 0.30 -0.36 1.82 0.71 -0.17 0.00 0.00 175.17 177.47 1hvi h THR 26 N 6.31 0.00 -0.30 1.71 1.35 -1.93 -2.29 112.91 117.75 1hvi h THR 26 Ca -0.07 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1hvi h THR 26 Cb 0.99 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1hvi h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1hvi n GLY 27 N -0.46 0.56 3.43 5.82 0.00 -1.26 -4.81 105.19 108.47 1hvi n GLY 27 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1hvi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvi s ALA 28 N -1.60 2.77 0.23 4.61 0.00 -0.86 -5.00 121.76 121.90 1hvi s ALA 28 Ca 0.27 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1hvi s ALA 28 Cb 0.14 -1.32 0.22 0.00 0.00 0.00 0.00 23.12 22.17 1hvi s ALA 28 CO 0.19 0.28 1.55 -0.44 0.00 0.00 0.00 175.76 177.34 1hvi h ASP 29 N 6.53 0.36 -2.07 0.00 5.19 -1.87 0.16 116.42 124.71 1hvi h ASP 29 Ca -0.30 -0.20 -0.60 0.00 -0.62 0.00 0.00 57.03 55.31 1hvi h ASP 29 Cb 1.20 -0.10 -0.13 0.00 0.18 0.00 0.00 39.33 40.47 1hvi h ASP 29 CO 0.58 0.86 -0.66 -1.81 -3.12 0.00 0.00 179.24 175.09 1hvi s ASP 30 N -6.91 3.57 -0.28 6.45 1.01 -1.26 -2.61 116.67 116.64 1hvi s ASP 30 Ca -0.05 -1.25 -0.11 0.00 0.71 0.00 0.00 52.55 51.85 1hvi s ASP 30 Cb 0.12 -0.32 -0.05 0.00 1.01 0.00 0.00 42.92 43.68 1hvi s ASP 30 CO 0.81 -0.30 0.20 -0.89 0.21 0.00 0.00 175.17 175.20 1hvi s THR 31 N -2.72 5.30 -0.21 -1.27 2.01 -1.26 -3.22 115.64 114.26 1hvi s THR 31 Ca 0.33 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.55 1hvi s THR 31 Cb 0.05 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 69.06 1hvi s THR 31 CO 0.16 0.25 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 1hvi s VAL 32 N 1.75 1.95 0.14 3.82 1.01 -0.87 -0.19 120.40 128.02 1hvi s VAL 32 Ca 0.08 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 60.90 1hvi s VAL 32 Cb -0.16 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1hvi s VAL 32 CO 0.11 0.21 0.11 -0.76 0.00 0.00 0.00 175.10 174.76 1hvi s LEU 33 N 1.26 3.76 0.77 3.92 1.43 0.13 -0.53 118.68 129.42 1hvi s LEU 33 Ca -0.02 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 1hvi s LEU 33 Cb -0.17 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.68 1hvi s LEU 33 CO -0.08 0.10 0.90 -1.84 0.23 0.00 0.00 176.35 175.65 1hvi n GLU 34 N -0.10 0.28 -1.53 1.70 0.28 -1.26 -1.28 120.64 118.73 1hvi n GLU 34 Ca -0.09 0.15 -0.63 0.00 -0.16 0.00 0.00 57.16 56.44 1hvi n GLU 34 Cb 0.54 -2.17 -0.10 0.00 1.43 0.00 0.00 31.44 31.13 1hvi n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1hvi n GLU 35 N -2.07 0.18 -3.81 3.44 -0.58 -1.13 -4.47 120.64 112.19 1hvi n GLU 35 Ca 0.12 0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.82 1hvi n GLU 35 Cb 0.50 -1.62 -0.05 0.00 -0.57 0.00 0.00 31.44 29.70 1hvi n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hvi s MET 36 N 4.43 1.21 -0.27 3.49 0.23 -1.26 -5.02 119.30 122.10 1hvi s MET 36 Ca 1.11 -0.96 -0.17 0.00 -1.03 0.00 0.00 55.69 54.64 1hvi s MET 36 Cb -1.42 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 32.30 1hvi s MET 36 CO 0.72 -0.48 0.45 -1.54 -2.03 0.00 0.00 175.02 172.14 1hvi s SER 37 N -2.89 6.34 0.07 -1.18 1.04 -1.26 -5.03 113.70 110.78 1hvi s SER 37 Ca 0.11 0.38 0.06 0.00 0.48 0.00 0.00 55.95 56.97 1hvi s SER 37 Cb 0.01 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1hvi s SER 37 CO -0.04 -0.25 -0.09 -0.76 0.98 0.00 0.00 173.24 173.08 1hvi s LEU 38 N 2.20 3.09 0.37 2.42 1.43 -1.26 -5.05 118.68 121.89 1hvi s LEU 38 Ca 0.18 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.73 1hvi s LEU 38 Cb -0.16 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.13 1hvi s LEU 38 CO 0.10 0.22 1.11 -2.16 0.23 0.00 0.00 176.35 175.84 1hvi s PRO 39 N -1.91 4.22 0.00 1.29 0.04 -1.26 -4.92 135.00 132.46 1hvi s PRO 39 Ca 0.20 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1hvi s PRO 39 Cb -0.11 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1hvi s PRO 39 CO 0.12 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1hvi n GLY 40 N 0.65 3.61 3.85 0.56 0.00 -1.26 -5.06 105.19 107.55 1hvi n GLY 40 Ca 0.03 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 1hvi n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hvi s ARG 41 N -2.81 3.92 0.09 1.61 3.00 -1.26 -5.08 118.95 118.42 1hvi s ARG 41 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 55.73 56.55 1hvi s ARG 41 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 34.95 32.69 1hvi s ARG 41 CO 0.00 -0.18 -0.02 1.67 0.00 0.00 0.00 175.30 176.77 1hvi s TRP 42 N -2.50 0.76 0.02 -0.53 1.48 -1.26 -4.68 118.94 112.23 1hvi s TRP 42 Ca 0.57 -1.06 0.09 0.00 -1.06 0.00 0.00 56.10 54.64 1hvi s TRP 42 Cb -0.10 -0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 31.71 1hvi s TRP 42 CO 0.30 -0.33 -0.25 0.15 -4.06 0.00 0.00 176.95 172.76 1hvi s LYS 43 N -3.92 1.93 0.29 3.25 1.02 -0.75 -4.88 119.74 116.68 1hvi s LYS 43 Ca 0.13 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 1hvi s LYS 43 Cb 0.07 -2.03 -0.11 0.00 -0.52 0.00 0.00 37.83 35.24 1hvi s LYS 43 CO -0.05 0.53 1.48 -2.14 -0.92 0.00 0.00 175.35 174.25 1hvi s PRO 44 N -1.08 4.21 0.14 -1.68 0.02 -1.26 0.02 135.00 135.36 1hvi s PRO 44 Ca 0.12 2.42 -0.00 0.00 0.02 0.00 0.00 61.00 63.55 1hvi s PRO 44 Cb -0.10 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 1hvi s PRO 44 CO 0.01 -0.48 0.05 0.21 -0.33 0.00 0.00 177.00 176.46 1hvi s LYS 45 N -0.81 0.97 -0.04 5.54 2.20 0.39 -4.85 119.74 123.14 1hvi s LYS 45 Ca 0.59 -1.46 0.04 0.00 -0.36 0.00 0.00 55.97 54.78 1hvi s LYS 45 Cb -0.44 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.00 1hvi s LYS 45 CO 0.49 -0.24 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.45 1hvi s MET 46 N -4.03 2.43 0.05 4.03 -1.94 -1.26 -0.57 119.30 118.01 1hvi s MET 46 Ca 0.24 -0.74 0.02 0.00 -1.71 0.00 0.00 55.69 53.50 1hvi s MET 46 Cb 0.07 -2.34 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 1hvi s MET 46 CO 0.02 0.61 -0.07 0.96 -0.01 0.00 0.00 175.02 176.54 1hvi s ILE 47 N -0.76 0.51 0.33 2.53 -5.25 -0.77 -4.97 121.20 112.82 1hvi s ILE 47 Ca 0.12 -1.25 0.08 0.00 -0.99 0.00 0.00 60.65 58.61 1hvi s ILE 47 Cb -0.11 -0.81 -0.06 0.00 2.95 0.00 0.00 42.46 44.43 1hvi s ILE 47 CO 0.01 -0.52 -0.07 -0.83 -1.79 0.00 0.00 174.94 171.75 1hvi s GLY 48 N -1.90 2.09 0.00 6.27 0.00 -1.26 -0.52 107.32 111.99 1hvi s GLY 48 Ca -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.62 1hvi s GLY 48 CO -0.01 -1.96 0.00 0.61 0.00 0.00 0.00 173.10 171.73 1hvi n GLY 49 N -0.73 2.56 3.74 0.20 0.00 0.04 -5.00 105.19 106.01 1hvi n GLY 49 Ca -0.05 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1hvi n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hvi s ILE 50 N -0.91 2.10 0.00 -0.61 -1.09 -1.26 -2.01 121.20 117.42 1hvi s ILE 50 Ca 0.00 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1hvi s ILE 50 Cb 0.00 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1hvi s ILE 50 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1hvi n GLY 51 N 2.58 3.28 0.00 6.18 0.00 -1.26 -4.91 105.19 111.06 1hvi n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1hvi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvi n GLY 52 N -1.59 0.53 3.60 -0.02 0.00 -0.85 -5.09 105.19 101.76 1hvi n GLY 52 Ca 0.00 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1hvi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hvi s PHE 53 N -1.73 2.91 0.23 1.61 0.40 -1.26 -0.78 117.98 119.35 1hvi s PHE 53 Ca 0.00 -0.02 0.10 0.00 -0.60 0.00 0.00 56.93 56.41 1hvi s PHE 53 Cb 0.00 -1.63 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 1hvi s PHE 53 CO 0.00 0.37 -0.18 0.96 0.70 0.00 0.00 175.22 177.07 1hvi s ILE 54 N -0.97 2.07 -0.10 0.64 -4.36 0.32 -4.98 121.20 113.82 1hvi s ILE 54 Ca 0.16 -2.23 -0.17 0.00 -0.26 0.00 0.00 60.65 58.15 1hvi s ILE 54 Cb -0.11 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.44 1hvi s ILE 54 CO 0.07 -0.45 0.44 -0.54 0.24 0.00 0.00 174.94 174.69 1hvi s LYS 55 N -3.41 4.26 0.18 0.37 1.02 -1.26 -1.85 119.74 119.05 1hvi s LYS 55 Ca 0.24 0.39 0.07 0.00 0.02 0.00 0.00 55.97 56.69 1hvi s LYS 55 Cb -0.04 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 1hvi s LYS 55 CO 0.10 0.26 -0.14 0.14 -0.92 0.00 0.00 175.35 174.79 1hvi s VAL 56 N 0.30 1.61 -0.19 3.17 -7.23 0.26 -4.44 120.40 113.89 1hvi s VAL 56 Ca 0.24 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 58.17 1hvi s VAL 56 Cb -0.15 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1hvi s VAL 56 CO 0.10 -0.56 0.38 -0.13 -0.31 0.00 0.00 175.10 174.58 1hvi s ARG 57 N -3.41 4.21 -0.25 4.82 0.52 0.11 -0.46 118.95 124.48 1hvi s ARG 57 Ca 0.19 0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 55.43 1hvi s ARG 57 Cb -0.01 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 1hvi s ARG 57 CO 0.05 0.04 0.41 -1.14 0.02 0.00 0.00 175.30 174.69 1hvi s GLN 58 N 1.06 4.06 -0.21 3.54 0.74 0.10 -0.73 119.66 128.22 1hvi s GLN 58 Ca 0.19 0.14 -0.04 0.00 0.05 0.00 0.00 55.36 55.70 1hvi s GLN 58 Cb -0.14 -3.63 -0.01 0.00 1.10 0.00 0.00 33.01 30.32 1hvi s GLN 58 CO 0.07 -0.25 -0.03 0.71 -0.55 0.00 0.00 175.29 175.24 1hvi s TYR 59 N 1.97 2.97 0.37 1.67 1.51 -0.21 -1.80 117.35 123.84 1hvi s TYR 59 Ca 0.17 -0.73 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1hvi s TYR 59 Cb -0.16 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.60 1hvi s TYR 59 CO 0.09 -0.40 0.56 -0.51 -1.11 0.00 0.00 175.55 174.18 1hvi s ASP 60 N 1.21 6.04 -1.56 2.29 1.01 -1.26 0.17 116.67 124.57 1hvi s ASP 60 Ca 0.03 0.20 -0.16 0.00 0.71 0.00 0.00 52.55 53.33 1hvi s ASP 60 Cb -0.14 -1.64 0.13 0.00 1.01 0.00 0.00 42.92 42.28 1hvi s ASP 60 CO -0.00 -0.46 0.74 0.00 0.21 0.00 0.00 175.17 175.65 1hvi n GLN 61 N -1.83 -3.52 -2.96 8.23 6.02 -1.14 -4.88 117.38 117.30 1hvi n GLN 61 Ca -0.02 0.42 -0.40 0.00 -0.01 0.00 0.00 57.00 56.99 1hvi n GLN 61 Cb 0.57 -5.17 -0.04 0.00 1.02 0.00 0.00 30.24 26.62 1hvi n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1hvi s ILE 62 N -3.17 4.91 -0.14 5.09 -1.09 0.23 -4.66 121.20 122.37 1hvi s ILE 62 Ca 0.65 1.62 -0.29 0.00 -2.23 0.00 0.00 60.65 60.40 1hvi s ILE 62 Cb -0.35 -4.12 -0.02 0.00 -1.58 0.00 0.00 42.46 36.39 1hvi s ILE 62 CO 0.80 0.27 1.28 -0.22 -1.23 0.00 0.00 174.94 175.84 1hvi s LEU 63 N 0.56 4.20 0.03 2.97 0.20 -1.26 -1.16 118.68 124.23 1hvi s LEU 63 Ca 0.41 1.75 0.04 0.00 0.69 0.00 0.00 54.13 57.01 1hvi s LEU 63 Cb -0.19 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.01 1hvi s LEU 63 CO 0.22 -0.75 -0.13 -0.51 -0.29 0.00 0.00 176.35 174.89 1hvi s ILE 64 N 3.34 0.98 -0.17 6.68 2.07 0.24 -4.49 121.20 129.85 1hvi s ILE 64 Ca 0.56 -0.87 0.01 0.00 -1.41 0.00 0.00 60.65 58.94 1hvi s ILE 64 Cb -0.23 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.49 1hvi s ILE 64 CO 0.17 0.02 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.32 1hvi s GLU 65 N -0.97 3.05 -0.28 3.50 2.12 -0.29 -0.14 118.70 125.68 1hvi s GLU 65 Ca 0.01 -0.81 -0.03 0.00 0.36 0.00 0.00 54.97 54.50 1hvi s GLU 65 Cb -0.07 -2.58 0.03 0.00 0.26 0.00 0.00 34.13 31.78 1hvi s GLU 65 CO 0.01 -0.14 -0.01 0.42 -0.54 0.00 0.00 175.26 175.00 1hvi s ILE 66 N 1.15 3.16 -1.52 -3.70 1.01 0.96 -0.75 121.20 121.51 1hvi s ILE 66 Ca 0.01 -1.09 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 1hvi s ILE 66 Cb -0.14 -2.69 0.05 0.00 0.01 0.00 0.00 42.46 39.69 1hvi s ILE 66 CO -0.09 0.06 0.46 0.00 0.00 0.00 0.00 174.94 175.37 1hvi n GLY 68 N -1.90 0.25 3.60 0.00 0.00 -1.26 -5.00 105.19 100.89 1hvi n GLY 68 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1hvi n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hvi s HIS 69 N -1.56 3.20 0.16 1.61 4.02 0.59 -5.08 115.29 118.23 1hvi s HIS 69 Ca 0.00 -0.02 -0.30 0.00 1.02 0.00 0.00 55.06 55.76 1hvi s HIS 69 Cb 0.00 -2.06 -0.07 0.00 -1.02 0.00 0.00 32.58 29.43 1hvi s HIS 69 CO 0.00 0.09 1.06 0.15 1.02 0.00 0.00 174.74 177.06 1hvi s LYS 70 N 0.43 4.63 0.03 1.40 1.02 -1.26 -0.03 119.74 125.95 1hvi s LYS 70 Ca 0.02 1.63 0.03 0.00 0.02 0.00 0.00 55.97 57.67 1hvi s LYS 70 Cb -0.13 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1hvi s LYS 70 CO 0.01 0.12 -0.09 0.00 -0.92 0.00 0.00 175.35 174.47 1hvi s ALA 71 N -0.18 0.72 -0.19 5.17 0.00 0.80 -4.74 121.76 123.34 1hvi s ALA 71 Ca 0.49 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1hvi s ALA 71 Cb -0.28 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 22.81 1hvi s ALA 71 CO 0.33 0.10 -0.06 0.42 0.00 0.00 0.00 175.76 176.55 1hvi s ILE 72 N -0.81 1.34 0.03 0.00 1.01 -1.26 -0.59 121.20 120.92 1hvi s ILE 72 Ca -0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1hvi s ILE 72 Cb -0.07 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1hvi s ILE 72 CO 0.00 0.07 0.13 0.61 0.00 0.00 0.00 174.94 175.75 1hvi n GLY 73 N 4.78 1.37 3.72 6.18 0.00 -0.31 -4.83 105.19 116.11 1hvi n GLY 73 Ca -0.13 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 1hvi n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hvi s THR 74 N -2.60 4.59 -0.08 2.61 2.01 -1.26 -0.60 115.64 120.32 1hvi s THR 74 Ca 0.03 2.01 0.03 0.00 0.31 0.00 0.00 61.69 64.07 1hvi s THR 74 Cb -0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1hvi s THR 74 CO 0.01 0.24 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.31 1hvi s VAL 75 N 0.46 1.56 -0.07 3.82 1.01 0.13 -4.55 120.40 122.75 1hvi s VAL 75 Ca 0.50 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 1hvi s VAL 75 Cb -0.23 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1hvi s VAL 75 CO 0.29 0.45 0.29 -0.76 0.00 0.00 0.00 175.10 175.38 1hvi s LEU 76 N 0.52 4.40 -0.09 3.92 1.43 0.74 -1.04 118.68 128.55 1hvi s LEU 76 Ca -0.16 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1hvi s LEU 76 Cb -0.17 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 1hvi s LEU 76 CO 0.06 0.30 -0.19 -0.69 0.23 0.00 0.00 176.35 176.07 1hvi s VAL 77 N -0.73 2.57 -0.88 -1.59 1.01 0.09 0.20 120.40 121.08 1hvi s VAL 77 Ca 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1hvi s VAL 77 Cb -0.14 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1hvi s VAL 77 CO 0.08 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1hvi n GLY 78 N 3.19 -1.30 2.28 4.51 0.00 -0.40 0.06 105.19 113.53 1hvi n GLY 78 Ca -0.18 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 1hvi n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hvi n PRO 79 N -0.04 3.54 -2.66 1.61 -0.04 -1.26 -2.85 135.00 133.30 1hvi n PRO 79 Ca 0.00 -2.15 -0.39 0.00 -0.04 0.00 0.00 63.50 60.92 1hvi n PRO 79 Cb 0.00 -2.67 -0.05 0.00 -0.04 0.00 0.00 33.50 30.74 1hvi n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hvi s THR 80 N 1.68 3.88 0.56 0.52 -1.32 -1.26 -4.94 115.64 114.76 1hvi s THR 80 Ca 0.68 1.82 0.27 0.00 -1.21 0.00 0.00 61.69 63.25 1hvi s THR 80 Cb 0.20 -4.13 0.38 0.00 -1.51 0.00 0.00 72.50 67.45 1hvi s THR 80 CO -0.06 0.38 2.00 -0.65 -2.21 0.00 0.00 174.62 174.08 1hvi h PRO 81 N 3.81 0.00 -2.82 7.08 0.11 -1.98 -3.44 132.00 134.75 1hvi h PRO 81 Ca -0.46 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 1hvi h PRO 81 Cb 1.20 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 1hvi h PRO 81 CO 0.67 0.00 -0.25 0.54 -0.21 0.00 0.00 178.00 178.75 1hvi s VAL 82 N -4.85 0.01 0.05 3.15 0.11 -1.26 -5.09 120.40 112.53 1hvi s VAL 82 Ca -0.05 -0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 58.58 1hvi s VAL 82 Cb 0.18 -0.58 -0.07 0.00 -1.53 0.00 0.00 36.38 34.37 1hvi s VAL 82 CO 0.65 -0.07 1.55 0.20 -3.33 0.00 0.00 175.10 174.11 1hvi s ASN 83 N -0.23 6.70 -0.15 3.54 0.01 -1.26 -4.73 114.94 118.82 1hvi s ASN 83 Ca -0.04 2.35 0.02 0.00 -0.71 0.00 0.00 52.86 54.48 1hvi s ASN 83 Cb -0.03 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1hvi s ASN 83 CO 0.02 -0.82 -0.19 -0.63 -1.51 0.00 0.00 177.10 173.97 1hvi s ILE 84 N 2.47 2.32 -0.37 0.60 -1.09 0.31 0.02 121.20 125.46 1hvi s ILE 84 Ca 0.70 -0.89 -0.15 0.00 -2.23 0.00 0.00 60.65 58.08 1hvi s ILE 84 Cb -0.37 -1.95 -0.00 0.00 -1.58 0.00 0.00 42.46 38.56 1hvi s ILE 84 CO 0.30 0.53 0.34 -0.63 -1.23 0.00 0.00 174.94 174.25 1hvi s ILE 85 N 0.81 5.20 0.57 2.92 -1.09 0.26 -2.05 121.20 127.82 1hvi s ILE 85 Ca -0.06 -0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.17 1hvi s ILE 85 Cb -0.15 -3.86 0.11 0.00 -1.58 0.00 0.00 42.46 36.98 1hvi s ILE 85 CO -0.01 -0.18 0.79 0.61 -1.23 0.00 0.00 174.94 174.92 1hvi n GLY 86 N 5.06 1.13 0.38 6.18 0.00 -1.20 -1.06 105.19 115.68 1hvi n GLY 86 Ca -0.10 -2.09 0.20 0.00 0.00 0.00 0.00 46.02 44.03 1hvi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hvi h ARG 87 N 0.00 0.00 -0.86 1.61 3.08 -1.01 -1.59 114.38 115.61 1hvi h ARG 87 Ca -0.26 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.95 1hvi h ARG 87 Cb 1.04 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.03 1hvi h ARG 87 CO 0.31 0.00 0.56 -2.95 -1.07 0.00 0.00 179.97 176.82 1hvi h ASN 88 N 0.00 0.53 0.00 7.04 -1.07 -1.77 -2.48 115.58 117.83 1hvi h ASN 88 Ca 0.24 0.04 -0.29 0.00 0.07 0.00 0.00 56.30 56.36 1hvi h ASN 88 Cb 0.99 -0.06 -0.06 0.00 -2.07 0.00 0.00 38.32 37.12 1hvi h ASN 88 CO -0.00 0.25 -2.26 0.18 0.07 0.00 0.00 177.43 175.67 1hvi n LEU 89 N -4.53 0.00 -0.27 6.14 4.77 -0.79 -4.23 117.00 118.08 1hvi n LEU 89 Ca 0.17 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.25 1hvi n LEU 89 Cb 0.55 0.39 0.34 0.00 -2.33 0.00 0.00 43.42 42.37 1hvi n LEU 89 CO 0.30 0.39 1.22 -0.07 -1.33 0.00 0.00 177.39 177.91 1hvi h LEU 90 N 0.00 0.71 -0.80 2.23 3.38 -1.23 -2.22 115.31 117.38 1hvi h LEU 90 Ca -0.43 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1hvi h LEU 90 Cb 1.98 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 1hvi h LEU 90 CO 0.02 0.39 0.04 0.71 0.09 0.00 0.00 178.44 179.69 1hvi h THR 91 N 0.77 1.25 -0.89 0.22 1.35 -1.66 -1.21 112.91 112.75 1hvi h THR 91 Ca 0.42 -1.04 0.03 0.00 -0.55 0.00 0.00 66.41 65.27 1hvi h THR 91 Cb 0.55 0.78 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 1hvi h THR 91 CO -0.19 0.38 0.59 1.56 -0.25 0.00 0.00 175.52 177.61 1hvi h GLN 92 N 0.87 1.10 -0.49 4.72 4.20 -1.58 -2.34 115.11 121.60 1hvi h GLN 92 Ca 0.17 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1hvi h GLN 92 Cb 0.46 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1hvi h GLN 92 CO 0.02 0.73 0.00 0.44 -0.67 0.00 0.00 178.83 179.35 1hvi n ILE 93 N -4.43 0.68 -1.91 2.54 -5.35 -1.05 -4.91 119.36 104.93 1hvi n ILE 93 Ca 0.11 -0.49 -0.06 0.00 -0.27 0.00 0.00 62.75 62.05 1hvi n ILE 93 Cb 0.09 0.01 -0.01 0.00 -1.74 0.00 0.00 39.64 37.99 1hvi n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hvi n GLY 94 N 0.76 0.28 3.71 3.28 0.00 -0.88 -4.97 105.19 107.37 1hvi n GLY 94 Ca 0.11 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1hvi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvi s THR 96 N 1.02 1.74 -0.15 0.00 -4.23 -1.26 -4.74 115.64 108.02 1hvi s THR 96 Ca 0.55 -2.19 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 1hvi s THR 96 Cb -0.25 -2.20 -0.05 0.00 1.34 0.00 0.00 72.50 71.34 1hvi s THR 96 CO 0.29 -0.48 0.23 -0.76 -0.54 0.00 0.00 174.62 173.36 1hvi s LEU 97 N -3.37 4.28 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.44 1hvi s LEU 97 Ca 0.25 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 1hvi s LEU 97 Cb 0.01 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 1hvi s LEU 97 CO 0.09 0.20 -0.10 0.20 0.23 0.00 0.00 176.35 176.98 1hvi s ASN 98 N 0.01 1.20 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.02 1hvi s ASN 98 Ca 0.14 -0.19 0.00 0.00 -1.57 0.00 0.00 52.86 51.25 1hvi s ASN 98 Cb -0.13 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 1hvi s ASN 98 CO 0.03 0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.88