#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hpo s GLN 2 N 0.00 3.88 -0.16 0.54 0.74 -1.26 -5.09 119.66 118.31 1hpo s GLN 2 Ca 0.00 -0.28 -0.00 0.00 0.05 0.00 0.00 55.36 55.13 1hpo s GLN 2 Cb 0.00 -3.23 -0.00 0.00 1.10 0.00 0.00 33.01 30.87 1hpo s GLN 2 CO 0.00 0.40 -0.14 0.42 -0.55 0.00 0.00 175.29 175.41 1hpo s ILE 3 N 0.05 2.75 0.23 -2.34 1.01 -1.26 -5.11 121.20 116.53 1hpo s ILE 3 Ca 0.07 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 1hpo s ILE 3 Cb -0.12 -2.17 -0.07 0.00 0.01 0.00 0.00 42.46 40.12 1hpo s ILE 3 CO 0.00 0.51 0.52 0.42 0.00 0.00 0.00 174.94 176.40 1hpo s THR 4 N 0.81 4.99 -0.40 2.92 -4.23 -1.26 -5.00 115.64 113.47 1hpo s THR 4 Ca -0.05 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1hpo s THR 4 Cb -0.15 -3.64 0.37 0.00 1.34 0.00 0.00 72.50 70.41 1hpo s THR 4 CO 0.00 -0.10 1.87 0.18 -0.54 0.00 0.00 174.62 176.03 1hpo n LEU 5 N -0.26 6.43 0.18 4.79 4.77 -1.26 -4.41 117.00 127.24 1hpo n LEU 5 Ca -0.00 -3.40 0.08 0.00 -0.03 0.00 0.00 56.01 52.65 1hpo n LEU 5 Cb 0.53 -0.91 0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1hpo n LEU 5 CO 0.46 1.15 0.63 -0.50 -1.33 0.00 0.00 177.39 177.80 1hpo h TRP 6 N 1.30 0.00 -3.46 -1.77 4.06 -2.06 -3.46 115.95 110.56 1hpo h TRP 6 Ca 0.42 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 61.04 1hpo h TRP 6 Cb 1.42 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.43 1hpo h TRP 6 CO 1.07 0.21 -0.68 0.15 -3.56 0.00 0.00 178.44 175.63 1hpo s LYS 7 N -3.11 1.16 0.04 0.49 3.01 -1.26 -5.11 119.74 114.96 1hpo s LYS 7 Ca 0.05 -1.54 -0.32 0.00 -1.01 0.00 0.00 55.97 53.15 1hpo s LYS 7 Cb 0.06 -0.53 -0.11 0.00 -1.01 0.00 0.00 37.83 36.25 1hpo s LYS 7 CO 0.71 -0.03 1.87 0.54 0.51 0.00 0.00 175.35 178.94 1hpo n ARG 8 N -0.28 2.59 -1.05 1.68 1.74 -1.26 -4.82 116.66 115.27 1hpo n ARG 8 Ca -0.08 0.95 -0.39 0.00 -0.77 0.00 0.00 57.85 57.56 1hpo n ARG 8 Cb 0.62 -2.84 -0.05 0.00 -1.02 0.00 0.00 32.46 29.18 1hpo n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hpo n PRO 9 N 6.28 1.55 -3.06 5.56 -0.04 -1.26 -4.90 135.00 139.13 1hpo n PRO 9 Ca 0.20 -1.74 -0.39 0.00 -0.04 0.00 0.00 63.50 61.52 1hpo n PRO 9 Cb 0.35 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 30.94 1hpo n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hpo s LEU 10 N 0.94 4.52 0.15 1.53 1.43 -1.26 -1.99 118.68 124.00 1hpo s LEU 10 Ca 0.54 1.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.14 1hpo s LEU 10 Cb 0.14 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1hpo s LEU 10 CO 0.09 0.15 -0.08 0.68 0.23 0.00 0.00 176.35 177.43 1hpo s VAL 11 N -0.72 1.05 -0.25 -1.59 -7.23 0.97 -4.94 120.40 107.69 1hpo s VAL 11 Ca 0.35 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.32 1hpo s VAL 11 Cb -0.21 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 1hpo s VAL 11 CO 0.23 -0.72 0.45 -0.89 -0.31 0.00 0.00 175.10 173.86 1hpo s THR 12 N -3.41 5.12 0.17 5.32 2.01 -1.26 -1.02 115.64 122.58 1hpo s THR 12 Ca 0.17 0.76 0.06 0.00 0.31 0.00 0.00 61.69 63.00 1hpo s THR 12 Cb 0.03 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1hpo s THR 12 CO 0.00 0.14 0.06 0.27 -0.69 0.00 0.00 174.62 174.40 1hpo s ILE 13 N 2.04 4.05 -0.30 1.82 -4.36 0.86 -1.91 121.20 123.39 1hpo s ILE 13 Ca 0.19 -1.28 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 1hpo s ILE 13 Cb -0.16 -3.05 0.09 0.00 1.25 0.00 0.00 42.46 40.59 1hpo s ILE 13 CO 0.09 -0.11 0.03 -0.75 0.24 0.00 0.00 174.94 174.44 1hpo s LYS 14 N -3.01 1.37 0.08 0.37 2.20 -0.69 -1.17 119.74 118.89 1hpo s LYS 14 Ca 0.29 -1.41 0.06 0.00 -0.36 0.00 0.00 55.97 54.55 1hpo s LYS 14 Cb -0.10 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 1hpo s LYS 14 CO 0.21 -0.84 -0.17 -1.50 -0.36 0.00 0.00 175.35 172.69 1hpo s ILE 15 N 1.22 1.34 0.00 5.43 2.07 -0.73 -2.64 121.20 127.89 1hpo s ILE 15 Ca 0.05 -1.41 0.00 0.00 -1.41 0.00 0.00 60.65 57.88 1hpo s ILE 15 Cb -0.19 -1.27 0.00 0.00 0.13 0.00 0.00 42.46 41.14 1hpo s ILE 15 CO -0.12 -0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.35 1hpo n GLY 16 N 1.17 0.00 0.00 1.50 0.00 -1.26 -0.35 105.19 106.25 1hpo n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1hpo n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hpo n GLY 17 N 0.53 3.00 3.88 -0.02 0.00 -1.26 -5.05 105.19 106.27 1hpo n GLY 17 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1hpo n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hpo s GLN 18 N -0.13 3.67 -0.15 1.61 -0.21 0.52 -5.06 119.66 119.92 1hpo s GLN 18 Ca 0.00 0.54 -0.07 0.00 0.02 0.00 0.00 55.36 55.85 1hpo s GLN 18 Cb 0.00 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 1hpo s GLN 18 CO 0.00 -0.29 0.10 -0.51 -2.12 0.00 0.00 175.29 172.48 1hpo s LEU 19 N -4.57 4.13 0.08 2.90 1.43 -1.26 -1.77 118.68 119.62 1hpo s LEU 19 Ca 0.52 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 1hpo s LEU 19 Cb -0.10 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1hpo s LEU 19 CO 0.43 0.31 -0.06 -0.54 0.23 0.00 0.00 176.35 176.71 1hpo s LYS 20 N -0.42 0.76 -0.11 1.70 1.02 -0.32 -4.99 119.74 117.38 1hpo s LYS 20 Ca 0.11 -1.27 -0.09 0.00 0.02 0.00 0.00 55.97 54.74 1hpo s LYS 20 Cb -0.12 -0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.03 1hpo s LYS 20 CO 0.02 -0.03 0.20 -2.00 -0.92 0.00 0.00 175.35 172.61 1hpo s GLU 21 N -3.70 3.68 0.03 1.68 2.56 -1.26 -0.10 118.70 121.60 1hpo s GLU 21 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.97 54.99 1hpo s GLU 21 Cb 0.05 -3.24 -0.01 0.00 2.00 0.00 0.00 34.13 32.92 1hpo s GLU 21 CO -0.06 0.66 0.06 0.00 -0.56 0.00 0.00 175.26 175.36 1hpo s ALA 22 N -0.74 -0.00 -0.14 6.30 0.00 -0.19 -4.46 121.76 122.53 1hpo s ALA 22 Ca 0.16 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 1hpo s ALA 22 Cb -0.13 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1hpo s ALA 22 CO 0.05 -0.26 0.09 -1.17 0.00 0.00 0.00 175.76 174.47 1hpo s LEU 23 N -1.91 4.06 -0.37 0.00 2.96 0.69 -0.02 118.68 124.10 1hpo s LEU 23 Ca -0.08 0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 53.85 1hpo s LEU 23 Cb -0.04 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1hpo s LEU 23 CO -0.03 0.31 0.92 -0.76 -1.32 0.00 0.00 176.35 175.47 1hpo s LEU 24 N -0.46 4.01 -0.28 -0.68 1.43 -0.84 -1.08 118.68 120.78 1hpo s LEU 24 Ca 0.11 0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.80 1hpo s LEU 24 Cb -0.12 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 42.93 1hpo s LEU 24 CO 0.02 -0.85 -0.07 -0.62 0.23 0.00 0.00 176.35 175.06 1hpo s ASP 25 N 1.88 4.45 0.33 2.29 -1.08 -0.81 -4.84 116.67 118.89 1hpo s ASP 25 Ca 0.38 -1.55 0.26 0.00 -0.52 0.00 0.00 52.55 51.12 1hpo s ASP 25 Cb -0.12 -1.52 0.95 0.00 -1.46 0.00 0.00 42.92 40.76 1hpo s ASP 25 CO 0.19 -0.24 1.78 0.71 0.52 0.00 0.00 175.17 178.12 1hpo h THR 26 N 6.72 0.00 0.00 1.71 1.35 -1.95 -2.93 112.91 117.81 1hpo h THR 26 Ca -0.16 -0.45 -0.13 0.00 -0.55 0.00 0.00 66.41 65.13 1hpo h THR 26 Cb 1.04 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 1hpo h THR 26 CO 0.47 0.00 -0.76 1.23 -0.25 0.00 0.00 175.52 176.21 1hpo h GLY 27 N 3.00 0.00 -4.76 5.82 0.00 -1.94 -3.45 103.07 101.74 1hpo h GLY 27 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1hpo h GLY 27 CO 0.00 0.00 0.63 0.00 0.00 0.00 0.00 176.54 177.17 1hpo s ALA 28 N -2.93 3.45 0.02 3.60 0.00 -1.10 -4.96 121.76 119.83 1hpo s ALA 28 Ca 0.02 0.46 -0.21 0.00 0.00 0.00 0.00 51.96 52.23 1hpo s ALA 28 Cb 0.08 -3.47 -0.17 0.00 0.00 0.00 0.00 23.12 19.56 1hpo s ALA 28 CO 0.77 -0.69 1.27 -0.44 0.00 0.00 0.00 175.76 176.67 1hpo h ASP 29 N 7.25 0.36 -1.77 0.00 3.32 -1.87 0.74 116.42 124.45 1hpo h ASP 29 Ca -0.32 -0.55 -0.54 0.00 0.02 0.00 0.00 57.03 55.64 1hpo h ASP 29 Cb 1.15 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.52 1hpo h ASP 29 CO 0.87 0.85 -0.51 -1.81 -1.72 0.00 0.00 179.24 176.92 1hpo s ASP 30 N -6.20 4.67 -0.25 6.45 1.01 -1.26 -1.52 116.67 119.56 1hpo s ASP 30 Ca -0.14 -0.84 -0.19 0.00 0.71 0.00 0.00 52.55 52.08 1hpo s ASP 30 Cb 0.04 -0.65 -0.02 0.00 1.01 0.00 0.00 42.92 43.30 1hpo s ASP 30 CO 0.76 -0.40 0.59 -0.89 0.21 0.00 0.00 175.17 175.44 1hpo s THR 31 N -2.47 5.02 -0.14 -1.27 2.01 -1.26 -3.45 115.64 114.07 1hpo s THR 31 Ca 0.40 1.05 -0.02 0.00 0.31 0.00 0.00 61.69 63.43 1hpo s THR 31 Cb -0.01 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1hpo s THR 31 CO 0.23 0.05 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.44 1hpo s VAL 32 N 2.40 3.45 0.03 3.82 1.01 -0.97 -0.62 120.40 129.53 1hpo s VAL 32 Ca 0.25 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1hpo s VAL 32 Cb -0.16 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1hpo s VAL 32 CO 0.09 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 174.89 1hpo s ILE 33 N 0.34 1.45 1.03 2.22 -1.09 0.18 -0.42 121.20 124.90 1hpo s ILE 33 Ca -0.08 -1.07 -0.11 0.00 -2.23 0.00 0.00 60.65 57.16 1hpo s ILE 33 Cb -0.15 -1.26 0.21 0.00 -1.58 0.00 0.00 42.46 39.67 1hpo s ILE 33 CO 0.04 0.17 1.09 -1.83 -1.23 0.00 0.00 174.94 173.18 1hpo s GLU 34 N -1.05 0.15 0.24 2.79 -1.05 -1.26 -1.37 118.70 117.15 1hpo s GLU 34 Ca 0.05 1.17 -0.31 0.00 -0.15 0.00 0.00 54.97 55.74 1hpo s GLU 34 Cb -0.08 -1.65 -0.14 0.00 -0.44 0.00 0.00 34.13 31.82 1hpo s GLU 34 CO 0.01 -3.10 1.36 -1.91 0.95 0.00 0.00 175.26 172.57 1hpo n GLU 35 N -4.52 1.94 -3.61 -4.83 4.07 -1.21 -4.62 120.64 107.86 1hpo n GLU 35 Ca 0.07 0.69 0.01 0.00 -0.06 0.00 0.00 57.16 57.88 1hpo n GLU 35 Cb 0.53 -2.32 -0.01 0.00 -0.06 0.00 0.00 31.44 29.59 1hpo n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hpo s MET 36 N -0.56 0.32 -0.20 5.31 0.23 -1.26 -5.06 119.30 118.07 1hpo s MET 36 Ca 0.67 -0.17 -0.24 0.00 -1.03 0.00 0.00 55.69 54.92 1hpo s MET 36 Cb -0.66 0.11 -0.01 0.00 -1.53 0.00 0.00 34.83 32.74 1hpo s MET 36 CO 0.51 -0.14 0.80 -1.12 -2.03 0.00 0.00 175.02 173.04 1hpo s SER 37 N -2.88 6.87 0.15 -1.18 0.01 -1.26 -5.04 113.70 110.37 1hpo s SER 37 Ca 0.14 1.07 0.06 0.00 1.31 0.00 0.00 55.95 58.53 1hpo s SER 37 Cb 0.05 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1hpo s SER 37 CO -0.04 -0.42 -0.14 -0.76 0.41 0.00 0.00 173.24 172.28 1hpo s LEU 38 N 2.37 2.46 0.30 2.44 1.43 -1.26 -4.95 118.68 121.47 1hpo s LEU 38 Ca 0.36 -0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 1hpo s LEU 38 Cb -0.16 -0.57 -0.09 0.00 0.03 0.00 0.00 46.19 45.40 1hpo s LEU 38 CO 0.10 -0.17 0.70 -2.16 0.23 0.00 0.00 176.35 175.05 1hpo s PRO 39 N -3.08 3.96 0.00 1.29 0.04 -1.26 -4.99 135.00 130.96 1hpo s PRO 39 Ca 0.14 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1hpo s PRO 39 Cb -0.03 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1hpo s PRO 39 CO 0.04 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.67 1hpo n GLY 40 N -0.33 -1.26 3.78 0.56 0.00 -1.26 -4.90 105.19 101.78 1hpo n GLY 40 Ca 0.03 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 1hpo n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hpo s ARG 41 N 0.00 2.83 0.37 1.61 0.52 -1.26 -5.13 118.95 117.88 1hpo s ARG 41 Ca 0.00 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.32 1hpo s ARG 41 Cb 0.00 -2.59 -0.06 0.00 0.52 0.00 0.00 34.95 32.82 1hpo s ARG 41 CO 0.00 0.47 0.05 1.67 0.02 0.00 0.00 175.30 177.51 1hpo s TRP 42 N -1.80 2.07 0.18 -0.53 1.48 -1.26 -4.70 118.94 114.38 1hpo s TRP 42 Ca 0.31 -0.93 0.08 0.00 -1.06 0.00 0.00 56.10 54.50 1hpo s TRP 42 Cb -0.10 -1.42 -0.04 0.00 -1.16 0.00 0.00 33.47 30.75 1hpo s TRP 42 CO 0.23 0.10 -0.15 0.15 -4.06 0.00 0.00 176.95 173.21 1hpo s LYS 43 N -3.83 1.25 0.27 3.25 3.01 -1.07 -4.94 119.74 117.68 1hpo s LYS 43 Ca 0.32 -1.47 -0.11 0.00 -1.01 0.00 0.00 55.97 53.70 1hpo s LYS 43 Cb 0.08 -1.13 -0.08 0.00 -1.01 0.00 0.00 37.83 35.69 1hpo s LYS 43 CO 0.15 0.20 0.61 -1.25 0.51 0.00 0.00 175.35 175.58 1hpo s PRO 44 N -3.23 3.85 0.02 -1.68 0.04 -1.26 -1.08 135.00 131.65 1hpo s PRO 44 Ca 0.18 0.38 -0.18 0.00 0.04 0.00 0.00 61.00 61.42 1hpo s PRO 44 Cb -0.03 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 31.97 1hpo s PRO 44 CO 0.06 0.25 0.39 0.21 0.04 0.00 0.00 177.00 177.95 1hpo s LYS 45 N -2.96 0.84 -0.09 4.56 2.20 -0.19 -4.88 119.74 119.22 1hpo s LYS 45 Ca 0.49 -0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 1hpo s LYS 45 Cb -0.11 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 1hpo s LYS 45 CO 0.21 -0.27 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.12 1hpo s MET 46 N -1.99 2.38 -0.04 4.03 -1.94 -1.26 0.21 119.30 120.69 1hpo s MET 46 Ca -0.08 -0.64 0.07 0.00 -1.71 0.00 0.00 55.69 53.32 1hpo s MET 46 Cb -0.02 -1.88 -0.02 0.00 2.01 0.00 0.00 34.83 34.92 1hpo s MET 46 CO 0.01 0.08 -0.25 0.96 -0.01 0.00 0.00 175.02 175.80 1hpo s ILE 47 N 0.58 2.02 -0.23 2.53 -4.36 -0.88 -4.96 121.20 115.89 1hpo s ILE 47 Ca -0.15 -1.07 -0.23 0.00 -0.26 0.00 0.00 60.65 58.94 1hpo s ILE 47 Cb -0.17 -1.69 -0.01 0.00 1.25 0.00 0.00 42.46 41.84 1hpo s ILE 47 CO 0.05 0.57 0.75 -0.83 0.24 0.00 0.00 174.94 175.72 1hpo s GLY 48 N -0.41 1.84 0.35 6.27 0.00 -1.26 -2.56 107.32 111.55 1hpo s GLY 48 Ca 0.04 -0.22 0.05 0.00 0.00 0.00 0.00 44.72 44.59 1hpo s GLY 48 CO 0.01 1.64 0.38 0.61 0.00 0.00 0.00 173.10 175.74 1hpo n GLY 49 N 3.85 2.40 0.15 0.20 0.00 0.23 -4.98 105.19 107.04 1hpo n GLY 49 Ca 0.03 -2.22 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 1hpo n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1hpo h ILE 50 N 0.33 1.21 -0.15 -0.61 3.07 -2.02 -2.99 117.51 116.35 1hpo h ILE 50 Ca -0.19 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.52 1hpo h ILE 50 Cb 0.79 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 1hpo h ILE 50 CO 0.29 0.22 0.00 0.61 -1.05 0.00 0.00 178.15 178.23 1hpo n GLY 51 N -0.54 -0.23 0.00 0.16 0.00 -1.26 -5.01 105.19 98.31 1hpo n GLY 51 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1hpo n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hpo n GLY 52 N 0.83 0.90 3.72 -0.02 0.00 -1.13 -5.10 105.19 104.39 1hpo n GLY 52 Ca 0.08 -1.95 -0.24 0.00 0.00 0.00 0.00 46.02 43.91 1hpo n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hpo s PHE 53 N -2.39 2.91 0.06 1.61 0.40 -1.26 0.78 117.98 120.08 1hpo s PHE 53 Ca 0.00 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1hpo s PHE 53 Cb 0.00 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 1hpo s PHE 53 CO 0.00 0.55 -0.04 0.96 0.70 0.00 0.00 175.22 177.40 1hpo s ILE 54 N -2.04 0.29 -0.13 0.64 -4.36 -1.06 -4.94 121.20 109.61 1hpo s ILE 54 Ca 0.31 -1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 58.78 1hpo s ILE 54 Cb -0.08 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.04 1hpo s ILE 54 CO 0.21 -0.98 0.16 -0.54 0.24 0.00 0.00 174.94 174.04 1hpo s LYS 55 N -3.90 3.68 0.07 0.37 1.02 -1.26 -2.08 119.74 117.64 1hpo s LYS 55 Ca 0.08 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 55.96 1hpo s LYS 55 Cb 0.08 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1hpo s LYS 55 CO -0.09 0.64 -0.05 0.14 -0.92 0.00 0.00 175.35 175.07 1hpo s VAL 56 N -0.64 0.44 -0.23 3.17 -7.23 0.13 -4.54 120.40 111.51 1hpo s VAL 56 Ca 0.14 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 1hpo s VAL 56 Cb -0.12 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1hpo s VAL 56 CO 0.03 -0.93 0.08 -0.13 -0.31 0.00 0.00 175.10 173.85 1hpo s ARG 57 N -3.82 3.81 -0.25 4.82 0.52 -0.88 -1.03 118.95 122.14 1hpo s ARG 57 Ca 0.09 -0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 54.75 1hpo s ARG 57 Cb 0.06 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1hpo s ARG 57 CO -0.07 -0.00 0.33 -1.14 0.02 0.00 0.00 175.30 174.43 1hpo s GLN 58 N 1.13 4.07 -0.08 3.54 0.74 -0.24 -1.03 119.66 127.79 1hpo s GLN 58 Ca 0.05 0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.48 1hpo s GLN 58 Cb -0.14 -3.60 -0.02 0.00 1.10 0.00 0.00 33.01 30.35 1hpo s GLN 58 CO 0.04 -0.14 -0.14 0.71 -0.55 0.00 0.00 175.29 175.20 1hpo s TYR 59 N 1.65 2.74 0.38 1.67 2.02 -0.50 -2.61 117.35 122.70 1hpo s TYR 59 Ca 0.14 -0.37 0.08 0.00 -0.37 0.00 0.00 57.07 56.55 1hpo s TYR 59 Cb -0.15 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1hpo s TYR 59 CO 0.08 0.02 0.31 -0.51 -1.57 0.00 0.00 175.55 173.88 1hpo s ASP 60 N -0.28 5.02 -1.81 2.29 1.01 -1.26 -0.76 116.67 120.89 1hpo s ASP 60 Ca 0.02 -0.70 0.00 0.00 0.71 0.00 0.00 52.55 52.57 1hpo s ASP 60 Cb -0.13 -0.70 0.00 0.00 1.01 0.00 0.00 42.92 43.10 1hpo s ASP 60 CO 0.03 -0.52 0.00 0.00 0.21 0.00 0.00 175.17 174.89 1hpo n GLN 61 N -1.43 -1.67 -2.94 8.23 1.13 -1.16 -4.90 117.38 114.65 1hpo n GLN 61 Ca 0.01 1.02 -0.41 0.00 -1.94 0.00 0.00 57.00 55.68 1hpo n GLN 61 Cb 0.61 -5.61 -0.04 0.00 0.11 0.00 0.00 30.24 25.32 1hpo n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hpo s ILE 62 N -2.92 4.97 0.03 5.09 -1.09 -0.34 -4.79 121.20 122.15 1hpo s ILE 62 Ca 0.00 1.62 -0.30 0.00 -2.23 0.00 0.00 60.65 59.73 1hpo s ILE 62 Cb 0.00 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 1hpo s ILE 62 CO 0.00 0.17 1.04 -0.63 -1.23 0.00 0.00 174.94 174.29 1hpo s ILE 63 N 1.22 4.60 -0.11 2.92 1.01 -1.26 -2.12 121.20 127.47 1hpo s ILE 63 Ca 0.41 1.89 -0.08 0.00 0.00 0.00 0.00 60.65 62.86 1hpo s ILE 63 Cb -0.18 -4.21 0.04 0.00 0.01 0.00 0.00 42.46 38.12 1hpo s ILE 63 CO 0.18 0.16 0.27 -0.51 0.00 0.00 0.00 174.94 175.04 1hpo s ILE 64 N 0.95 -0.02 -0.55 2.92 2.07 0.12 -4.62 121.20 122.08 1hpo s ILE 64 Ca 0.54 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.73 1hpo s ILE 64 Cb -0.24 -0.40 0.14 0.00 0.13 0.00 0.00 42.46 42.10 1hpo s ILE 64 CO 0.29 0.03 0.44 -0.70 -1.91 0.00 0.00 174.94 173.09 1hpo s GLU 65 N 0.68 2.74 -0.61 3.50 2.12 -1.08 0.92 118.70 126.97 1hpo s GLU 65 Ca -0.04 -1.92 -0.24 0.00 0.36 0.00 0.00 54.97 53.13 1hpo s GLU 65 Cb -0.06 -4.06 0.05 0.00 0.26 0.00 0.00 34.13 30.33 1hpo s GLU 65 CO -0.04 -1.24 1.00 0.42 -0.54 0.00 0.00 175.26 174.86 1hpo s ILE 66 N 1.12 4.27 -0.59 -3.70 1.01 0.23 -1.71 121.20 121.83 1hpo s ILE 66 Ca 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.77 1hpo s ILE 66 Cb -0.24 -4.64 0.01 0.00 0.01 0.00 0.00 42.46 37.60 1hpo s ILE 66 CO -0.01 -1.33 0.38 0.00 0.00 0.00 0.00 174.94 173.98 1hpo n GLY 68 N -1.36 2.77 3.73 0.00 0.00 -1.26 -5.00 105.19 104.07 1hpo n GLY 68 Ca -0.16 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1hpo n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hpo s HIS 69 N 0.00 3.57 -0.20 1.61 4.02 -0.52 -4.97 115.29 118.79 1hpo s HIS 69 Ca 0.00 1.54 -0.06 0.00 1.02 0.00 0.00 55.06 57.56 1hpo s HIS 69 Cb 0.00 -3.28 -0.03 0.00 -1.02 0.00 0.00 32.58 28.24 1hpo s HIS 69 CO 0.00 -0.67 0.04 -1.59 1.02 0.00 0.00 174.74 173.54 1hpo s LYS 70 N 0.18 3.76 0.34 1.40 0.00 -1.26 0.74 119.74 124.90 1hpo s LYS 70 Ca 0.52 -0.45 0.09 0.00 0.00 0.00 0.00 55.97 56.13 1hpo s LYS 70 Cb -0.28 -3.18 -0.05 0.00 0.00 0.00 0.00 37.83 34.33 1hpo s LYS 70 CO 0.32 0.08 0.09 0.00 0.00 0.00 0.00 175.35 175.84 1hpo s ALA 71 N 0.87 3.39 -0.22 0.59 0.00 0.26 -4.96 121.76 121.69 1hpo s ALA 71 Ca 0.02 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.09 1hpo s ALA 71 Cb -0.14 -0.63 0.08 0.00 0.00 0.00 0.00 23.12 22.44 1hpo s ALA 71 CO 0.02 0.06 0.14 0.42 0.00 0.00 0.00 175.76 176.40 1hpo s ILE 72 N -2.45 -0.15 0.00 0.00 1.01 -1.26 -0.70 121.20 117.65 1hpo s ILE 72 Ca 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1hpo s ILE 72 Cb -0.02 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.71 1hpo s ILE 72 CO 0.21 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.35 1hpo n GLY 73 N 5.28 2.80 3.75 6.18 0.00 -0.90 -4.86 105.19 117.44 1hpo n GLY 73 Ca -0.06 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1hpo n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hpo s THR 74 N -2.23 4.57 -0.03 2.61 2.01 -1.26 -1.20 115.64 120.12 1hpo s THR 74 Ca 0.00 1.73 0.03 0.00 0.31 0.00 0.00 61.69 63.77 1hpo s THR 74 Cb 0.00 -4.16 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 1hpo s THR 74 CO 0.00 0.40 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 1hpo s VAL 75 N -0.38 1.09 -0.22 3.82 1.01 0.07 -4.42 120.40 121.35 1hpo s VAL 75 Ca 0.39 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 1hpo s VAL 75 Cb -0.22 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1hpo s VAL 75 CO 0.25 0.32 0.08 -0.76 0.00 0.00 0.00 175.10 174.99 1hpo s LEU 76 N 0.07 3.63 -0.28 3.92 1.43 0.21 -1.41 118.68 126.26 1hpo s LEU 76 Ca -0.02 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 1hpo s LEU 76 Cb -0.09 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1hpo s LEU 76 CO 0.01 0.05 0.13 -0.69 0.23 0.00 0.00 176.35 176.07 1hpo s VAL 77 N 1.13 4.65 0.00 -1.59 1.01 -0.20 -0.65 120.40 124.75 1hpo s VAL 77 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1hpo s VAL 77 Cb -0.14 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1hpo s VAL 77 CO 0.03 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1hpo n GLY 78 N 4.98 2.43 2.92 4.51 0.00 -0.47 -2.07 105.19 117.49 1hpo n GLY 78 Ca -0.15 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 1hpo n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hpo n PRO 79 N 0.00 3.32 -3.97 1.61 -0.04 -1.26 -3.30 135.00 131.36 1hpo n PRO 79 Ca 0.00 -3.24 -0.32 0.00 -0.04 0.00 0.00 63.50 59.91 1hpo n PRO 79 Cb 0.00 -3.09 -0.05 0.00 -0.04 0.00 0.00 33.50 30.31 1hpo n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hpo s THR 80 N 1.68 5.12 0.29 0.52 -1.32 -1.26 -5.02 115.64 115.65 1hpo s THR 80 Ca 0.43 -0.42 -0.01 0.00 -1.21 0.00 0.00 61.69 60.48 1hpo s THR 80 Cb 0.10 -3.45 0.18 0.00 -1.51 0.00 0.00 72.50 67.82 1hpo s THR 80 CO -0.02 0.21 1.87 -0.65 -2.21 0.00 0.00 174.62 173.82 1hpo h PRO 81 N 3.42 0.85 -2.82 7.08 0.11 -1.99 -3.45 132.00 135.21 1hpo h PRO 81 Ca -0.47 -0.14 -0.07 0.00 0.11 0.00 0.00 66.00 65.44 1hpo h PRO 81 Cb 1.17 -0.15 -0.17 0.00 0.11 0.00 0.00 31.00 31.97 1hpo h PRO 81 CO 0.70 0.71 -0.01 0.14 -0.21 0.00 0.00 178.00 179.33 1hpo s VAL 82 N -5.37 0.04 0.19 3.15 -7.23 -1.26 -5.11 120.40 104.80 1hpo s VAL 82 Ca -0.10 -0.31 -0.30 0.00 -1.81 0.00 0.00 61.98 59.46 1hpo s VAL 82 Cb 0.16 -0.95 -0.09 0.00 0.56 0.00 0.00 36.38 36.06 1hpo s VAL 82 CO 0.79 -0.17 1.33 0.20 -0.31 0.00 0.00 175.10 176.94 1hpo s ASN 83 N -1.90 6.87 0.03 4.85 0.01 -1.26 -4.80 114.94 118.74 1hpo s ASN 83 Ca -0.06 2.40 0.08 0.00 -0.71 0.00 0.00 52.86 54.57 1hpo s ASN 83 Cb -0.01 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 1hpo s ASN 83 CO -0.01 -0.56 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.17 1hpo s ILE 84 N 0.27 2.48 -0.27 0.60 -1.09 0.44 -0.22 121.20 123.40 1hpo s ILE 84 Ca 0.58 -1.24 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1hpo s ILE 84 Cb -0.37 -1.99 0.05 0.00 -1.58 0.00 0.00 42.46 38.57 1hpo s ILE 84 CO 0.37 0.39 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.78 1hpo s ILE 85 N -0.84 2.62 0.46 2.92 -1.09 -0.24 -2.29 121.20 122.74 1hpo s ILE 85 Ca 0.13 -1.43 0.02 0.00 -2.23 0.00 0.00 60.65 57.14 1hpo s ILE 85 Cb -0.10 -2.49 0.09 0.00 -1.58 0.00 0.00 42.46 38.37 1hpo s ILE 85 CO 0.03 -0.02 0.63 0.61 -1.23 0.00 0.00 174.94 174.96 1hpo n GLY 86 N 4.55 1.11 0.32 6.18 0.00 -1.22 -1.92 105.19 114.20 1hpo n GLY 86 Ca -0.14 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 43.96 1hpo n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hpo h ARG 87 N 0.00 0.00 -0.97 1.61 3.08 -0.78 -1.40 114.38 115.91 1hpo h ARG 87 Ca -0.21 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.88 1hpo h ARG 87 Cb 0.83 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.82 1hpo h ARG 87 CO 0.25 0.00 0.64 -2.95 -1.07 0.00 0.00 179.97 176.83 1hpo h ASN 88 N 0.00 1.04 0.03 7.04 -1.07 -1.53 -2.29 115.58 118.80 1hpo h ASN 88 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.45 1hpo h ASN 88 Cb 0.41 -0.23 0.00 0.00 -2.07 0.00 0.00 38.32 36.43 1hpo h ASN 88 CO -0.00 0.70 -1.34 0.18 0.07 0.00 0.00 177.43 177.04 1hpo n LEU 89 N -4.45 0.63 0.17 6.14 4.77 -0.87 -4.29 117.00 119.09 1hpo n LEU 89 Ca 0.14 -0.30 0.05 0.00 -0.03 0.00 0.00 56.01 55.87 1hpo n LEU 89 Cb 0.12 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.35 1hpo n LEU 89 CO 0.34 0.15 0.58 -0.07 -1.33 0.00 0.00 177.39 177.07 1hpo h LEU 90 N 0.00 0.00 0.00 2.23 3.38 -0.90 -3.19 115.31 116.83 1hpo h LEU 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hpo h LEU 90 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1hpo h LEU 90 CO 0.00 0.39 -0.08 0.71 0.09 0.00 0.00 178.44 179.55 1hpo h THR 91 N 0.00 0.00 -0.03 0.22 1.35 -1.61 -2.44 112.91 110.40 1hpo h THR 91 Ca -0.00 -0.97 -0.17 0.00 -0.55 0.00 0.00 66.41 64.72 1hpo h THR 91 Cb 1.19 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 1hpo h THR 91 CO 0.05 0.00 -0.72 1.56 -0.25 0.00 0.00 175.52 176.16 1hpo h GLN 92 N 0.00 0.20 -0.01 4.72 4.20 -1.74 -3.22 115.11 119.25 1hpo h GLN 92 Ca 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1hpo h GLN 92 Cb 0.98 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1hpo h GLN 92 CO 0.00 0.83 -0.11 0.44 -0.67 0.00 0.00 178.83 179.33 1hpo n ILE 93 N -3.77 0.00 -0.70 2.54 -5.35 -1.22 -4.94 119.36 105.93 1hpo n ILE 93 Ca -0.03 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1hpo n ILE 93 Cb 0.70 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 1hpo n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hpo n GLY 94 N 1.24 0.58 3.75 3.28 0.00 -1.22 -5.05 105.19 107.78 1hpo n GLY 94 Ca 0.16 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1hpo n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hpo s THR 96 N -0.61 0.29 -0.14 0.00 -4.23 -1.26 -4.70 115.64 104.99 1hpo s THR 96 Ca 0.50 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1hpo s THR 96 Cb -0.35 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1hpo s THR 96 CO 0.42 -0.39 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.31 1hpo s LEU 97 N -3.11 3.27 0.11 4.79 1.43 -1.26 -5.11 118.68 118.80 1hpo s LEU 97 Ca 0.26 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.33 1hpo s LEU 97 Cb 0.07 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1hpo s LEU 97 CO 0.04 0.22 -0.13 0.20 0.23 0.00 0.00 176.35 176.92 1hpo s ASN 98 N 0.06 1.75 0.00 2.29 0.01 -1.26 -5.30 114.94 112.49 1hpo s ASN 98 Ca -0.00 -0.78 0.00 0.00 -0.71 0.00 0.00 52.86 51.37 1hpo s ASN 98 Cb -0.13 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1hpo s ASN 98 CO 0.03 -0.18 0.00 2.22 -1.51 0.00 0.00 177.10 177.66