#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hpv s GLN 2 N 0.00 3.38 -0.14 0.54 0.74 -1.26 -5.09 119.66 117.83 1hpv s GLN 2 Ca 0.00 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 54.78 1hpv s GLN 2 Cb 0.00 -2.68 0.02 0.00 1.10 0.00 0.00 33.01 31.44 1hpv s GLN 2 CO 0.00 0.26 -0.18 0.42 -0.55 0.00 0.00 175.29 175.25 1hpv s ILE 3 N 0.24 1.78 0.45 -2.34 1.01 -1.26 -5.13 121.20 115.95 1hpv s ILE 3 Ca -0.07 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 1hpv s ILE 3 Cb -0.15 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1hpv s ILE 3 CO 0.05 0.50 0.77 0.42 0.00 0.00 0.00 174.94 176.67 1hpv s THR 4 N 1.13 4.87 -0.39 2.92 -4.23 -1.26 -5.02 115.64 113.67 1hpv s THR 4 Ca -0.02 0.34 0.06 0.00 -1.18 0.00 0.00 61.69 60.89 1hpv s THR 4 Cb -0.14 -3.82 0.67 0.00 1.34 0.00 0.00 72.50 70.56 1hpv s THR 4 CO -0.06 -0.72 1.82 0.18 -0.54 0.00 0.00 174.62 175.29 1hpv n LEU 5 N -1.90 6.26 0.23 4.79 7.99 -1.26 -4.36 117.00 128.74 1hpv n LEU 5 Ca 0.01 -3.30 0.11 0.00 -0.01 0.00 0.00 56.01 52.82 1hpv n LEU 5 Cb 0.55 -0.78 0.48 0.00 -0.11 0.00 0.00 43.42 43.55 1hpv n LEU 5 CO 0.51 0.91 0.82 -0.50 -1.51 0.00 0.00 177.39 177.62 1hpv h TRP 6 N 1.73 0.00 -3.75 -1.77 4.06 -2.06 -3.44 115.95 110.72 1hpv h TRP 6 Ca 0.44 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 61.11 1hpv h TRP 6 Cb 2.54 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 30.53 1hpv h TRP 6 CO 1.38 0.20 -0.72 -0.65 -3.56 0.00 0.00 178.44 175.10 1hpv s GLN 7 N -3.65 0.82 0.20 0.49 -0.21 -1.26 -5.11 119.66 110.94 1hpv s GLN 7 Ca 0.01 -1.20 -0.32 0.00 0.02 0.00 0.00 55.36 53.87 1hpv s GLN 7 Cb 0.10 -0.40 -0.14 0.00 1.00 0.00 0.00 33.01 33.57 1hpv s GLN 7 CO 0.63 0.04 1.38 0.54 -2.12 0.00 0.00 175.29 175.76 1hpv n ARG 8 N 0.39 1.79 -2.39 2.91 1.74 -1.26 -4.83 116.66 115.01 1hpv n ARG 8 Ca -0.15 0.64 -0.41 0.00 -0.77 0.00 0.00 57.85 57.16 1hpv n ARG 8 Cb 0.59 -2.28 -0.01 0.00 -1.02 0.00 0.00 32.46 29.74 1hpv n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hpv n PRO 9 N 2.25 2.88 -3.48 5.56 -0.04 -1.26 -4.96 135.00 135.94 1hpv n PRO 9 Ca 0.14 -3.06 -0.36 0.00 -0.04 0.00 0.00 63.50 60.17 1hpv n PRO 9 Cb 0.28 -3.51 -0.06 0.00 -0.04 0.00 0.00 33.50 30.18 1hpv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hpv s LEU 10 N 5.08 4.40 0.03 1.53 1.43 -1.26 -1.18 118.68 128.71 1hpv s LEU 10 Ca 0.56 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1hpv s LEU 10 Cb 0.04 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 1hpv s LEU 10 CO 0.07 0.22 -0.03 0.54 0.23 0.00 0.00 176.35 177.38 1hpv s VAL 11 N -1.28 0.18 -0.08 -1.59 0.11 0.48 -4.94 120.40 113.29 1hpv s VAL 11 Ca 0.30 -1.14 -0.25 0.00 -2.93 0.00 0.00 61.98 57.96 1hpv s VAL 11 Cb -0.15 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1hpv s VAL 11 CO 0.17 -0.61 0.78 -0.89 -3.33 0.00 0.00 175.10 171.22 1hpv s THR 12 N -2.03 4.98 0.25 5.04 2.01 -1.26 -0.08 115.64 124.54 1hpv s THR 12 Ca -0.10 1.60 0.10 0.00 0.31 0.00 0.00 61.69 63.61 1hpv s THR 12 Cb -0.06 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 1hpv s THR 12 CO -0.03 0.18 -0.18 0.27 -0.69 0.00 0.00 174.62 174.17 1hpv s ILE 13 N 1.16 2.21 -0.14 1.82 -4.36 0.53 -2.08 121.20 120.34 1hpv s ILE 13 Ca 0.40 -2.32 -0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1hpv s ILE 13 Cb -0.18 -2.20 0.04 0.00 1.25 0.00 0.00 42.46 41.37 1hpv s ILE 13 CO 0.19 -0.45 -0.03 -0.75 0.24 0.00 0.00 174.94 174.13 1hpv s LYS 14 N -3.50 1.13 -0.03 0.37 2.20 0.15 -1.76 119.74 118.29 1hpv s LYS 14 Ca 0.27 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.58 1hpv s LYS 14 Cb -0.04 -1.72 0.01 0.00 -1.51 0.00 0.00 37.83 34.57 1hpv s LYS 14 CO 0.12 -0.41 -0.07 0.42 -0.36 0.00 0.00 175.35 175.05 1hpv s ILE 15 N 1.76 0.63 -1.50 5.43 1.09 -0.57 -1.47 121.20 126.57 1hpv s ILE 15 Ca 0.02 -0.25 -0.15 0.00 -1.10 0.00 0.00 60.65 59.18 1hpv s ILE 15 Cb -0.14 -0.59 0.12 0.00 -1.06 0.00 0.00 42.46 40.78 1hpv s ILE 15 CO -0.07 0.22 0.69 0.61 -0.10 0.00 0.00 174.94 176.28 1hpv n GLY 16 N 3.53 -0.47 2.41 6.18 0.00 -1.26 -1.06 105.19 114.52 1hpv n GLY 16 Ca -0.20 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1hpv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hpv n GLY 17 N -1.32 0.67 3.40 -0.02 0.00 -1.26 -5.02 105.19 101.64 1hpv n GLY 17 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1hpv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hpv s GLN 18 N -0.05 1.67 -0.21 1.61 -0.21 -0.22 -5.12 119.66 117.12 1hpv s GLN 18 Ca 0.00 -1.20 -0.08 0.00 0.02 0.00 0.00 55.36 54.10 1hpv s GLN 18 Cb 0.00 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 1hpv s GLN 18 CO 0.00 0.48 0.08 -0.51 -2.12 0.00 0.00 175.29 173.23 1hpv s LEU 19 N -1.75 3.75 0.06 2.90 1.43 -1.26 -1.51 118.68 122.30 1hpv s LEU 19 Ca 0.14 -0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1hpv s LEU 19 Cb -0.10 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1hpv s LEU 19 CO 0.05 0.09 -0.04 -0.54 0.23 0.00 0.00 176.35 176.15 1hpv s LYS 20 N 0.85 0.65 -0.11 1.70 1.02 -0.72 -5.00 119.74 118.13 1hpv s LYS 20 Ca 0.04 -1.21 -0.04 0.00 0.02 0.00 0.00 55.97 54.78 1hpv s LYS 20 Cb -0.14 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 1hpv s LYS 20 CO 0.02 -0.08 0.04 -1.21 -0.92 0.00 0.00 175.35 173.20 1hpv s GLU 21 N -3.75 3.22 0.12 1.68 2.02 -1.26 -0.35 118.70 120.37 1hpv s GLU 21 Ca 0.07 -0.34 0.04 0.00 0.02 0.00 0.00 54.97 54.76 1hpv s GLU 21 Cb 0.06 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1hpv s GLU 21 CO -0.08 0.66 -0.10 0.00 0.02 0.00 0.00 175.26 175.77 1hpv s ALA 22 N -0.75 1.23 -0.23 5.21 0.00 0.88 -4.56 121.76 123.54 1hpv s ALA 22 Ca 0.12 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 1hpv s ALA 22 Cb -0.12 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1hpv s ALA 22 CO 0.02 -0.09 0.48 -1.17 0.00 0.00 0.00 175.76 175.00 1hpv s LEU 23 N -2.83 4.10 -0.26 0.00 2.96 -0.48 -0.39 118.68 121.79 1hpv s LEU 23 Ca 0.11 0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 54.28 1hpv s LEU 23 Cb 0.01 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1hpv s LEU 23 CO -0.01 -0.20 1.33 -0.76 -1.32 0.00 0.00 176.35 175.40 1hpv s LEU 24 N 1.85 3.95 -0.32 -0.68 1.43 -0.32 -1.44 118.68 123.15 1hpv s LEU 24 Ca 0.21 1.37 0.03 0.00 -1.03 0.00 0.00 54.13 54.71 1hpv s LEU 24 Cb -0.15 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 1hpv s LEU 24 CO 0.09 -1.02 0.04 -0.62 0.23 0.00 0.00 176.35 175.06 1hpv s ASP 25 N 2.76 4.59 0.48 2.29 -1.08 -0.59 -4.80 116.67 120.31 1hpv s ASP 25 Ca 0.58 -1.96 0.31 0.00 -0.52 0.00 0.00 52.55 50.96 1hpv s ASP 25 Cb -0.19 -1.49 1.32 0.00 -1.46 0.00 0.00 42.92 41.11 1hpv s ASP 25 CO 0.22 -0.36 1.93 0.71 0.52 0.00 0.00 175.17 178.19 1hpv h THR 26 N 6.61 0.00 -0.38 1.71 1.35 -1.93 -2.55 112.91 117.71 1hpv h THR 26 Ca -0.07 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1hpv h THR 26 Cb 1.02 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1hpv h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1hpv n GLY 27 N -0.05 1.11 3.41 5.82 0.00 -1.26 -4.79 105.19 109.43 1hpv n GLY 27 Ca 0.01 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1hpv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hpv s ALA 28 N -1.49 3.05 0.11 4.61 0.00 -0.96 -4.99 121.76 122.09 1hpv s ALA 28 Ca 0.34 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1hpv s ALA 28 Cb 0.18 -1.92 -0.14 0.00 0.00 0.00 0.00 23.12 21.25 1hpv s ALA 28 CO 0.25 -0.39 1.33 -0.44 0.00 0.00 0.00 175.76 176.51 1hpv h ASP 29 N 8.03 0.95 -2.01 0.00 3.32 -1.86 0.66 116.42 125.49 1hpv h ASP 29 Ca -0.39 -0.60 -0.57 0.00 0.02 0.00 0.00 57.03 55.49 1hpv h ASP 29 Cb 1.17 -0.28 -0.10 0.00 0.22 0.00 0.00 39.33 40.34 1hpv h ASP 29 CO 0.59 1.40 -0.62 -1.81 -1.72 0.00 0.00 179.24 177.08 1hpv s ASP 30 N -7.08 4.30 -0.21 6.45 1.01 -1.26 -2.48 116.67 117.38 1hpv s ASP 30 Ca -0.10 -0.87 -0.15 0.00 0.71 0.00 0.00 52.55 52.13 1hpv s ASP 30 Cb 0.09 -0.62 -0.04 0.00 1.01 0.00 0.00 42.92 43.36 1hpv s ASP 30 CO 0.90 -0.16 0.38 -0.89 0.21 0.00 0.00 175.17 175.61 1hpv s THR 31 N -2.45 5.21 -0.10 -1.27 2.01 -1.26 -3.69 115.64 114.08 1hpv s THR 31 Ca 0.34 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1hpv s THR 31 Cb -0.03 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.80 1hpv s THR 31 CO 0.20 0.24 -0.08 0.54 -0.69 0.00 0.00 174.62 174.83 1hpv s VAL 32 N 1.41 1.03 0.13 3.82 0.11 -0.82 -0.95 120.40 125.13 1hpv s VAL 32 Ca 0.18 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 58.97 1hpv s VAL 32 Cb -0.15 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1hpv s VAL 32 CO 0.08 0.36 0.01 -0.76 -3.33 0.00 0.00 175.10 171.46 1hpv s LEU 33 N 1.49 3.45 0.83 2.54 1.02 0.19 -0.20 118.68 128.00 1hpv s LEU 33 Ca 0.01 -0.25 -0.11 0.00 0.02 0.00 0.00 54.13 53.80 1hpv s LEU 33 Cb -0.13 -2.14 0.10 0.00 0.02 0.00 0.00 46.19 44.03 1hpv s LEU 33 CO -0.06 0.14 1.13 -1.83 0.02 0.00 0.00 176.35 175.75 1hpv s GLU 34 N -2.60 1.65 0.01 1.70 -1.05 -1.26 -1.20 118.70 115.95 1hpv s GLU 34 Ca 0.27 1.43 -0.37 0.00 -0.15 0.00 0.00 54.97 56.15 1hpv s GLU 34 Cb -0.11 -1.81 -0.16 0.00 -0.44 0.00 0.00 34.13 31.62 1hpv s GLU 34 CO 0.19 -2.14 1.51 0.39 0.95 0.00 0.00 175.26 176.16 1hpv n GLU 35 N -3.74 1.41 -3.80 -4.83 -0.58 -1.20 -4.52 120.64 103.38 1hpv n GLU 35 Ca 0.11 0.51 -0.09 0.00 -0.42 0.00 0.00 57.16 57.27 1hpv n GLU 35 Cb 0.52 -2.20 -0.04 0.00 -0.57 0.00 0.00 31.44 29.15 1hpv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hpv s MET 36 N 1.49 1.41 -0.63 3.49 0.23 -1.26 -5.04 119.30 118.99 1hpv s MET 36 Ca 0.87 -0.95 -0.28 0.00 -1.03 0.00 0.00 55.69 54.31 1hpv s MET 36 Cb -0.91 0.51 0.03 0.00 -1.53 0.00 0.00 34.83 32.93 1hpv s MET 36 CO 0.49 -0.60 1.24 0.45 -2.03 0.00 0.00 175.02 174.58 1hpv s SER 37 N -2.90 6.32 -0.02 -1.18 0.15 -1.26 -4.99 113.70 109.82 1hpv s SER 37 Ca 0.12 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.74 1hpv s SER 37 Cb -0.01 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1hpv s SER 37 CO -0.00 -1.62 -0.14 -0.76 1.20 0.00 0.00 173.24 171.91 1hpv s LEU 38 N 5.32 1.96 0.24 3.45 1.43 -1.26 -4.92 118.68 124.90 1hpv s LEU 38 Ca 0.41 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1hpv s LEU 38 Cb -0.08 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.31 1hpv s LEU 38 CO 0.22 0.15 0.51 -2.16 0.23 0.00 0.00 176.35 175.31 1hpv s PRO 39 N -0.15 3.67 0.00 1.29 0.04 -1.26 -5.03 135.00 133.56 1hpv s PRO 39 Ca 0.02 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1hpv s PRO 39 Cb -0.08 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1hpv s PRO 39 CO 0.00 0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1hpv n GLY 40 N -0.52 1.37 3.89 0.56 0.00 -1.26 -5.03 105.19 104.20 1hpv n GLY 40 Ca -0.01 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 1hpv n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hpv s ARG 41 N -1.47 3.70 0.33 1.61 3.03 -1.26 -5.09 118.95 119.80 1hpv s ARG 41 Ca 0.00 0.18 0.04 0.00 2.03 0.00 0.00 55.73 57.97 1hpv s ARG 41 Cb 0.00 -2.58 -0.04 0.00 -1.03 0.00 0.00 34.95 31.31 1hpv s ARG 41 CO 0.00 0.17 0.16 1.67 -1.13 0.00 0.00 175.30 176.17 1hpv s TRP 42 N -2.11 1.66 -0.05 5.89 1.48 -1.26 -4.71 118.94 119.84 1hpv s TRP 42 Ca 0.46 -1.36 0.03 0.00 -1.06 0.00 0.00 56.10 54.18 1hpv s TRP 42 Cb -0.11 -0.92 0.01 0.00 -1.16 0.00 0.00 33.47 31.29 1hpv s TRP 42 CO 0.29 -0.48 -0.13 0.15 -4.06 0.00 0.00 176.95 172.71 1hpv s LYS 43 N -3.77 1.60 -0.54 3.25 1.02 -0.29 -4.91 119.74 116.10 1hpv s LYS 43 Ca 0.34 -0.46 -0.28 0.00 0.02 0.00 0.00 55.97 55.59 1hpv s LYS 43 Cb 0.05 -1.36 0.01 0.00 -0.52 0.00 0.00 37.83 36.00 1hpv s LYS 43 CO 0.18 0.12 1.44 -1.25 -0.92 0.00 0.00 175.35 174.91 1hpv s PRO 44 N 0.36 3.31 0.52 -1.68 0.04 -1.26 -0.02 135.00 136.27 1hpv s PRO 44 Ca -0.09 0.54 0.07 0.00 0.04 0.00 0.00 61.00 61.56 1hpv s PRO 44 Cb -0.13 -4.12 0.03 0.00 0.04 0.00 0.00 34.50 30.32 1hpv s PRO 44 CO 0.03 -1.92 0.49 0.21 0.04 0.00 0.00 177.00 175.84 1hpv s LYS 45 N 5.50 2.35 -0.09 4.56 2.20 0.06 -4.97 119.74 129.36 1hpv s LYS 45 Ca 0.55 -1.80 -0.05 0.00 -0.36 0.00 0.00 55.97 54.31 1hpv s LYS 45 Cb -0.11 -2.31 0.04 0.00 -1.51 0.00 0.00 37.83 33.94 1hpv s LYS 45 CO 0.26 -0.56 0.21 -1.64 -0.36 0.00 0.00 175.35 173.26 1hpv s MET 46 N -4.33 0.19 0.21 4.03 -1.94 -1.26 -1.09 119.30 115.09 1hpv s MET 46 Ca 0.44 0.43 0.08 0.00 -1.71 0.00 0.00 55.69 54.94 1hpv s MET 46 Cb -0.03 -0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.68 1hpv s MET 46 CO 0.27 -0.13 -0.15 0.96 -0.01 0.00 0.00 175.02 175.96 1hpv s ILE 47 N 0.95 1.81 0.20 2.53 -4.36 -0.50 -4.96 121.20 116.86 1hpv s ILE 47 Ca -0.07 -2.20 0.09 0.00 -0.26 0.00 0.00 60.65 58.21 1hpv s ILE 47 Cb -0.08 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 1hpv s ILE 47 CO -0.06 -0.55 -0.18 -0.83 0.24 0.00 0.00 174.94 173.56 1hpv s GLY 48 N -3.27 1.49 0.00 6.27 0.00 -1.26 -0.27 107.32 110.28 1hpv s GLY 48 Ca 0.22 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1hpv s GLY 48 CO 0.07 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.10 1hpv n GLY 49 N -0.07 2.53 3.76 0.20 0.00 0.09 -4.99 105.19 106.70 1hpv n GLY 49 Ca -0.10 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1hpv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hpv s ILE 50 N -2.64 2.72 0.00 -0.61 1.01 -1.26 -2.40 121.20 118.02 1hpv s ILE 50 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1hpv s ILE 50 Cb 0.00 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1hpv s ILE 50 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1hpv n GLY 51 N 1.37 2.50 0.00 6.18 0.00 -1.26 -4.89 105.19 109.09 1hpv n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1hpv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hpv n GLY 52 N -2.00 0.65 3.44 -0.02 0.00 -1.01 -5.11 105.19 101.15 1hpv n GLY 52 Ca 0.00 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 1hpv n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hpv s PHE 53 N -3.14 2.23 0.02 1.61 -0.12 -1.26 -0.74 117.98 116.58 1hpv s PHE 53 Ca 0.00 -0.36 0.01 0.00 -0.05 0.00 0.00 56.93 56.53 1hpv s PHE 53 Cb 0.00 -1.02 -0.01 0.00 -0.63 0.00 0.00 43.02 41.35 1hpv s PHE 53 CO 0.00 0.60 -0.04 0.96 -0.05 0.00 0.00 175.22 176.70 1hpv s ILE 54 N -2.22 0.22 0.00 -4.49 -4.36 0.63 -4.99 121.20 105.99 1hpv s ILE 54 Ca 0.26 -0.60 -0.28 0.00 -0.26 0.00 0.00 60.65 59.77 1hpv s ILE 54 Cb -0.06 -0.28 -0.04 0.00 1.25 0.00 0.00 42.46 43.33 1hpv s ILE 54 CO 0.12 -0.25 0.88 -0.54 0.24 0.00 0.00 174.94 175.39 1hpv s LYS 55 N -0.90 4.54 0.05 0.37 -0.14 -1.26 -1.41 119.74 120.98 1hpv s LYS 55 Ca -0.08 1.24 0.02 0.00 -1.36 0.00 0.00 55.97 55.78 1hpv s LYS 55 Cb -0.06 -3.43 -0.03 0.00 -1.68 0.00 0.00 37.83 32.63 1hpv s LYS 55 CO -0.00 0.05 -0.06 0.54 -0.76 0.00 0.00 175.35 175.12 1hpv s VAL 56 N 0.70 0.46 -0.25 3.17 0.11 -0.25 -4.44 120.40 119.89 1hpv s VAL 56 Ca 0.46 -1.21 -0.09 0.00 -2.93 0.00 0.00 61.98 58.21 1hpv s VAL 56 Cb -0.20 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1hpv s VAL 56 CO 0.25 -0.51 0.12 -0.13 -3.33 0.00 0.00 175.10 171.49 1hpv s ARG 57 N -2.02 3.81 -0.23 1.54 0.52 -0.28 -0.76 118.95 121.53 1hpv s ARG 57 Ca -0.07 -0.40 -0.19 0.00 -0.52 0.00 0.00 55.73 54.56 1hpv s ARG 57 Cb -0.07 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 1hpv s ARG 57 CO -0.01 -0.13 0.54 -1.14 0.02 0.00 0.00 175.30 174.57 1hpv s GLN 58 N 1.53 4.14 -0.10 3.54 0.74 0.98 -1.71 119.66 128.77 1hpv s GLN 58 Ca 0.06 0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.90 1hpv s GLN 58 Cb -0.15 -3.60 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 1hpv s GLN 58 CO 0.06 -0.25 -0.17 0.71 -0.55 0.00 0.00 175.29 175.09 1hpv s TYR 59 N 1.97 2.71 0.32 1.67 1.51 -0.60 -1.14 117.35 123.79 1hpv s TYR 59 Ca 0.24 -0.65 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 1hpv s TYR 59 Cb -0.15 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1hpv s TYR 59 CO 0.09 -0.19 0.33 -0.51 -1.11 0.00 0.00 175.55 174.16 1hpv s ASP 60 N 0.13 5.58 -1.52 2.29 1.01 -1.26 -0.89 116.67 122.01 1hpv s ASP 60 Ca -0.08 -0.34 -0.13 0.00 0.71 0.00 0.00 52.55 52.71 1hpv s ASP 60 Cb -0.15 -1.17 0.08 0.00 1.01 0.00 0.00 42.92 42.69 1hpv s ASP 60 CO 0.05 -0.30 0.94 0.00 0.21 0.00 0.00 175.17 176.07 1hpv n GLN 61 N -1.41 -5.42 -3.31 8.23 1.13 -1.18 -4.91 117.38 110.51 1hpv n GLN 61 Ca -0.03 0.61 -0.38 0.00 -1.94 0.00 0.00 57.00 55.26 1hpv n GLN 61 Cb 0.59 -5.49 -0.06 0.00 0.11 0.00 0.00 30.24 25.38 1hpv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hpv s ILE 62 N -3.27 5.18 -0.02 5.09 -1.09 -0.25 -4.74 121.20 122.11 1hpv s ILE 62 Ca 0.64 0.93 -0.25 0.00 -2.23 0.00 0.00 60.65 59.74 1hpv s ILE 62 Cb -0.32 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1hpv s ILE 62 CO 0.78 0.29 0.78 -0.22 -1.23 0.00 0.00 174.94 175.35 1hpv s LEU 63 N 0.85 4.37 -0.02 2.97 1.98 -1.26 -1.02 118.68 126.54 1hpv s LEU 63 Ca 0.25 1.37 0.03 0.00 -2.89 0.00 0.00 54.13 52.89 1hpv s LEU 63 Cb -0.15 -3.23 0.00 0.00 0.66 0.00 0.00 46.19 43.47 1hpv s LEU 63 CO 0.10 -0.10 -0.09 -0.63 -1.89 0.00 0.00 176.35 173.73 1hpv s ILE 64 N 0.57 0.80 -0.33 6.68 1.01 0.64 -4.40 121.20 126.18 1hpv s ILE 64 Ca 0.41 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 1hpv s ILE 64 Cb -0.19 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.59 1hpv s ILE 64 CO 0.22 0.25 0.12 -1.61 0.00 0.00 0.00 174.94 173.91 1hpv s GLU 65 N 0.14 2.88 -0.32 2.79 2.02 -0.54 -0.65 118.70 125.01 1hpv s GLU 65 Ca -0.02 -1.01 -0.07 0.00 0.02 0.00 0.00 54.97 53.89 1hpv s GLU 65 Cb -0.08 -3.48 0.02 0.00 0.10 0.00 0.00 34.13 30.69 1hpv s GLU 65 CO 0.00 -0.57 0.10 0.42 0.02 0.00 0.00 175.26 175.23 1hpv s ILE 66 N 1.48 3.94 -1.29 -1.63 1.01 0.21 -0.68 121.20 124.24 1hpv s ILE 66 Ca 0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 1hpv s ILE 66 Cb -0.18 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 1hpv s ILE 66 CO 0.03 -0.03 0.59 0.00 0.00 0.00 0.00 174.94 175.53 1hpv n GLY 68 N -1.82 2.26 3.74 0.00 0.00 -1.26 -4.96 105.19 103.15 1hpv n GLY 68 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1hpv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hpv s HIS 69 N -0.41 3.77 0.27 1.61 4.02 -0.29 -5.03 115.29 119.23 1hpv s HIS 69 Ca 0.00 1.63 -0.03 0.00 1.02 0.00 0.00 55.06 57.68 1hpv s HIS 69 Cb 0.00 -2.93 -0.05 0.00 -1.02 0.00 0.00 32.58 28.58 1hpv s HIS 69 CO 0.00 0.24 0.50 0.15 1.02 0.00 0.00 174.74 176.65 1hpv s LYS 70 N -0.03 3.59 -0.11 1.40 1.02 -1.26 0.67 119.74 125.02 1hpv s LYS 70 Ca 0.43 -0.12 -0.27 0.00 0.02 0.00 0.00 55.97 56.02 1hpv s LYS 70 Cb -0.22 -2.71 0.06 0.00 -0.52 0.00 0.00 37.83 34.45 1hpv s LYS 70 CO 0.26 0.27 0.65 0.00 -0.92 0.00 0.00 175.35 175.61 1hpv s ALA 71 N -2.03 -1.65 -0.08 5.17 0.00 0.17 -4.90 121.76 118.44 1hpv s ALA 71 Ca 0.42 1.40 0.04 0.00 0.00 0.00 0.00 51.96 53.83 1hpv s ALA 71 Cb -0.11 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1hpv s ALA 71 CO 0.30 -0.35 -0.21 0.42 0.00 0.00 0.00 175.76 175.92 1hpv s ILE 72 N -0.75 1.82 0.00 0.00 1.01 -1.26 -0.26 121.20 121.76 1hpv s ILE 72 Ca -0.08 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1hpv s ILE 72 Cb -0.02 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1hpv s ILE 72 CO 0.07 0.51 0.10 0.61 0.00 0.00 0.00 174.94 176.23 1hpv n GLY 73 N 3.39 0.74 3.74 6.18 0.00 -0.19 -4.87 105.19 114.17 1hpv n GLY 73 Ca -0.19 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 1hpv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hpv s THR 74 N -2.23 4.22 -0.07 2.61 2.01 -1.26 -1.09 115.64 119.84 1hpv s THR 74 Ca 0.02 2.01 0.02 0.00 0.31 0.00 0.00 61.69 64.04 1hpv s THR 74 Cb -0.00 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.25 1hpv s THR 74 CO 0.00 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.53 1hpv s VAL 75 N -0.52 0.97 -0.15 3.82 1.01 -0.07 -4.54 120.40 120.91 1hpv s VAL 75 Ca 0.45 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 1hpv s VAL 75 Cb -0.25 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1hpv s VAL 75 CO 0.32 0.32 0.12 -0.76 0.00 0.00 0.00 175.10 175.11 1hpv s LEU 76 N 0.88 4.25 -0.10 3.92 1.43 -0.12 -1.56 118.68 127.37 1hpv s LEU 76 Ca -0.11 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1hpv s LEU 76 Cb -0.15 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1hpv s LEU 76 CO 0.01 0.31 -0.23 -0.69 0.23 0.00 0.00 176.35 175.98 1hpv s VAL 77 N -0.40 1.99 -0.57 -1.59 1.01 -0.70 0.55 120.40 120.69 1hpv s VAL 77 Ca 0.11 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1hpv s VAL 77 Cb -0.12 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1hpv s VAL 77 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1hpv n GLY 78 N 3.57 -0.62 3.00 4.51 0.00 -0.34 -1.13 105.19 114.18 1hpv n GLY 78 Ca -0.19 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 1hpv n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hpv n PRO 79 N 0.00 1.56 -4.34 1.61 -0.02 -1.26 -3.26 135.00 129.28 1hpv n PRO 79 Ca 0.00 -1.72 -0.34 0.00 -2.02 0.00 0.00 63.50 59.42 1hpv n PRO 79 Cb 0.00 -2.79 -0.09 0.00 -0.02 0.00 0.00 33.50 30.60 1hpv n PRO 79 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1hpv s THR 80 N 4.72 4.22 0.18 3.45 2.01 -1.26 -5.01 115.64 123.95 1hpv s THR 80 Ca 0.53 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 1hpv s THR 80 Cb 0.13 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1hpv s THR 80 CO 0.09 0.50 1.52 -0.65 -0.69 0.00 0.00 174.62 175.39 1hpv h PRO 81 N 4.77 0.69 -5.39 4.92 0.11 -1.98 -3.44 132.00 131.69 1hpv h PRO 81 Ca -0.50 -0.38 -0.41 0.00 0.11 0.00 0.00 66.00 64.82 1hpv h PRO 81 Cb 1.18 0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.13 1hpv h PRO 81 CO 0.56 1.00 -0.76 0.08 -0.21 0.00 0.00 178.00 178.66 1hpv s VAL 82 N -4.20 1.27 0.04 3.15 1.01 -1.26 -5.06 120.40 115.35 1hpv s VAL 82 Ca -0.09 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 59.95 1hpv s VAL 82 Cb 0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1hpv s VAL 82 CO 0.85 -0.39 1.02 0.20 0.00 0.00 0.00 175.10 176.78 1hpv s ASN 83 N -2.33 7.34 -0.08 3.32 0.01 -1.26 -4.64 114.94 117.30 1hpv s ASN 83 Ca 0.07 1.77 0.04 0.00 -0.71 0.00 0.00 52.86 54.04 1hpv s ASN 83 Cb -0.06 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 1hpv s ASN 83 CO 0.03 -0.26 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.50 1hpv s ILE 84 N 0.76 2.24 -0.32 0.60 1.01 0.72 -1.38 121.20 124.83 1hpv s ILE 84 Ca 0.52 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 1hpv s ILE 84 Cb -0.23 -1.85 0.02 0.00 0.01 0.00 0.00 42.46 40.41 1hpv s ILE 84 CO 0.29 0.56 0.12 -0.63 0.00 0.00 0.00 174.94 175.28 1hpv s ILE 85 N 0.05 4.09 0.15 2.92 -1.09 -0.52 -1.94 121.20 124.85 1hpv s ILE 85 Ca -0.09 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 1hpv s ILE 85 Cb -0.15 -3.20 0.03 0.00 -1.58 0.00 0.00 42.46 37.56 1hpv s ILE 85 CO 0.06 -0.05 0.20 0.61 -1.23 0.00 0.00 174.94 174.52 1hpv n GLY 86 N 4.89 1.03 0.28 6.18 0.00 -1.24 -1.54 105.19 114.78 1hpv n GLY 86 Ca -0.13 -2.01 0.15 0.00 0.00 0.00 0.00 46.02 44.02 1hpv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hpv h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.81 -1.03 114.38 117.23 1hpv h ARG 87 Ca -0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1hpv h ARG 87 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1hpv h ARG 87 CO 0.08 0.06 -0.09 -2.95 -1.07 0.00 0.00 179.97 176.00 1hpv h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.76 -2.25 115.58 117.54 1hpv h ASN 88 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.19 1hpv h ASN 88 Cb 0.20 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.41 1hpv h ASN 88 CO 0.01 0.09 -1.76 0.18 0.07 0.00 0.00 177.43 176.02 1hpv n LEU 89 N -3.54 0.00 0.24 6.14 4.32 -0.82 -4.46 117.00 118.88 1hpv n LEU 89 Ca -0.02 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.05 1hpv n LEU 89 Cb 0.22 0.25 0.59 0.00 -1.62 0.00 0.00 43.42 42.86 1hpv n LEU 89 CO 0.29 0.25 0.95 -0.07 -1.22 0.00 0.00 177.39 177.58 1hpv h LEU 90 N 0.00 0.00 -0.19 2.23 3.38 -1.04 -1.95 115.31 117.73 1hpv h LEU 90 Ca -0.27 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.48 1hpv h LEU 90 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1hpv h LEU 90 CO 0.01 0.14 -0.94 0.71 0.09 0.00 0.00 178.44 178.45 1hpv h THR 91 N 0.00 1.49 0.00 0.22 1.35 -1.64 -1.59 112.91 112.74 1hpv h THR 91 Ca -0.00 -2.70 -0.07 0.00 -0.55 0.00 0.00 66.41 63.09 1hpv h THR 91 Cb 0.27 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1hpv h THR 91 CO 0.02 0.79 -0.33 1.56 -0.25 0.00 0.00 175.52 177.31 1hpv h GLN 92 N 0.12 0.00 -0.16 4.72 4.20 -1.58 -2.57 115.11 119.84 1hpv h GLN 92 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1hpv h GLN 92 Cb 1.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.37 1hpv h GLN 92 CO 0.15 0.33 0.00 0.44 -0.67 0.00 0.00 178.83 179.08 1hpv n ILE 93 N -4.02 0.19 -2.06 2.54 -5.35 -1.10 -4.96 119.36 104.60 1hpv n ILE 93 Ca -0.02 -0.42 -0.06 0.00 -0.27 0.00 0.00 62.75 61.98 1hpv n ILE 93 Cb 0.38 0.66 -0.00 0.00 -1.74 0.00 0.00 39.64 38.94 1hpv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hpv n GLY 94 N 1.24 0.16 3.70 3.28 0.00 -0.97 -5.02 105.19 107.58 1hpv n GLY 94 Ca 0.17 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1hpv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hpv s THR 96 N 1.50 1.32 -0.05 0.00 -4.23 -1.26 -4.74 115.64 108.17 1hpv s THR 96 Ca 0.51 -2.10 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1hpv s THR 96 Cb -0.21 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1hpv s THR 96 CO 0.24 -0.57 0.14 -0.76 -0.54 0.00 0.00 174.62 173.12 1hpv s LEU 97 N -3.26 4.23 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.48 1hpv s LEU 97 Ca 0.22 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1hpv s LEU 97 Cb 0.03 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1hpv s LEU 97 CO 0.05 0.33 0.07 0.20 0.23 0.00 0.00 176.35 177.23 1hpv s ASN 98 N -1.50 -0.06 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.25 1hpv s ASN 98 Ca 0.21 0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.65 1hpv s ASN 98 Cb -0.12 0.12 0.00 0.00 -0.02 0.00 0.00 41.25 41.23 1hpv s ASN 98 CO 0.11 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.81