#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 3.65 -0.24 0.54 0.74 -1.26 -5.09 119.66 118.00 1hvi s GLN 2 Ca 0.00 -0.49 -0.08 0.00 0.05 0.00 0.00 55.36 54.84 1hvi s GLN 2 Cb 0.00 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 1hvi s GLN 2 CO 0.00 -0.04 0.08 0.42 -0.55 0.00 0.00 175.29 175.20 1hvi s ILE 3 N 1.17 4.42 0.69 -2.34 1.01 -1.26 -5.09 121.20 119.80 1hvi s ILE 3 Ca 0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1hvi s ILE 3 Cb -0.14 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.28 1hvi s ILE 3 CO 0.02 0.35 1.05 0.42 0.00 0.00 0.00 174.94 176.78 1hvi s THR 4 N 1.49 3.33 -0.35 2.92 -4.23 -1.26 -5.01 115.64 112.52 1hvi s THR 4 Ca 0.06 0.29 0.15 0.00 -1.18 0.00 0.00 61.69 61.01 1hvi s THR 4 Cb -0.15 -3.40 0.48 0.00 1.34 0.00 0.00 72.50 70.76 1hvi s THR 4 CO 0.04 -0.50 1.38 0.18 -0.54 0.00 0.00 174.62 175.18 1hvi n LEU 5 N -2.93 3.66 -0.25 4.79 4.77 -1.26 -4.55 117.00 121.23 1hvi n LEU 5 Ca 0.06 -2.78 0.02 0.00 -0.03 0.00 0.00 56.01 53.29 1hvi n LEU 5 Cb 0.58 -0.47 0.25 0.00 -2.33 0.00 0.00 43.42 41.44 1hvi n LEU 5 CO 0.56 0.69 1.25 -0.50 -1.33 0.00 0.00 177.39 178.05 1hvi h TRP 6 N 1.85 0.98 -1.59 -1.77 4.06 -2.06 -3.43 115.95 113.99 1hvi h TRP 6 Ca 0.00 0.02 -0.55 0.00 2.06 0.00 0.00 58.89 60.43 1hvi h TRP 6 Cb 1.28 -0.33 -0.07 0.00 -1.00 0.00 0.00 29.16 29.04 1hvi h TRP 6 CO 0.43 0.57 -0.47 -0.65 -3.56 0.00 0.00 178.44 174.77 1hvi s GLN 7 N -5.87 2.31 0.26 0.49 1.11 -1.26 -5.09 119.66 111.61 1hvi s GLN 7 Ca -0.11 -1.75 -0.30 0.00 0.01 0.00 0.00 55.36 53.21 1hvi s GLN 7 Cb 0.19 -2.09 -0.11 0.00 -1.01 0.00 0.00 33.01 29.99 1hvi s GLN 7 CO 0.79 -0.12 1.52 1.03 0.01 0.00 0.00 175.29 178.52 1hvi s ARG 8 N -3.96 4.20 -0.99 2.91 0.52 -1.26 -4.84 118.95 115.53 1hvi s ARG 8 Ca 0.43 2.43 -0.20 0.00 -0.52 0.00 0.00 55.73 57.86 1hvi s ARG 8 Cb 0.02 -3.08 -0.10 0.00 0.52 0.00 0.00 34.95 32.31 1hvi s ARG 8 CO 0.24 -0.53 2.01 -0.35 0.02 0.00 0.00 175.30 176.69 1hvi n PRO 9 N 2.45 1.92 -2.91 3.54 -0.04 -1.26 -4.92 135.00 133.77 1hvi n PRO 9 Ca 0.08 -2.10 -0.41 0.00 -0.04 0.00 0.00 63.50 61.03 1hvi n PRO 9 Cb 0.39 -3.06 -0.04 0.00 -0.04 0.00 0.00 33.50 30.75 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 1.82 4.21 0.29 1.53 1.43 -1.26 -0.98 118.68 125.72 1hvi s LEU 10 Ca 0.55 1.20 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 1hvi s LEU 10 Cb 0.14 -3.22 -0.06 0.00 0.03 0.00 0.00 46.19 43.08 1hvi s LEU 10 CO 0.06 -0.33 0.02 0.68 0.23 0.00 0.00 176.35 177.00 1hvi s VAL 11 N 1.82 1.21 -0.02 -1.59 -7.23 0.52 -4.90 120.40 110.21 1hvi s VAL 11 Ca 0.39 -2.04 -0.27 0.00 -1.81 0.00 0.00 61.98 58.25 1hvi s VAL 11 Cb -0.17 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1hvi s VAL 11 CO 0.14 -0.16 0.84 -0.89 -0.31 0.00 0.00 175.10 174.73 1hvi s THR 12 N -3.29 4.93 0.15 5.32 2.01 -1.26 -0.53 115.64 122.97 1hvi s THR 12 Ca 0.33 1.76 0.10 0.00 0.31 0.00 0.00 61.69 64.19 1hvi s THR 12 Cb 0.07 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1hvi s THR 12 CO 0.13 0.22 -0.19 0.27 -0.69 0.00 0.00 174.62 174.36 1hvi s ILE 13 N 0.81 2.71 -0.17 1.82 -4.36 0.13 -2.77 121.20 119.38 1hvi s ILE 13 Ca 0.45 -1.70 -0.03 0.00 -0.26 0.00 0.00 60.65 59.11 1hvi s ILE 13 Cb -0.20 -2.27 -0.02 0.00 1.25 0.00 0.00 42.46 41.22 1hvi s ILE 13 CO 0.23 0.00 -0.05 -0.54 0.24 0.00 0.00 174.94 174.83 1hvi s LYS 14 N -2.40 3.57 -0.02 0.37 3.01 -0.41 0.05 119.74 123.91 1hvi s LYS 14 Ca 0.19 -0.57 -0.01 0.00 -1.01 0.00 0.00 55.97 54.58 1hvi s LYS 14 Cb -0.09 -2.90 0.01 0.00 -1.01 0.00 0.00 37.83 33.83 1hvi s LYS 14 CO 0.10 0.13 0.05 -1.50 0.51 0.00 0.00 175.35 174.65 1hvi s ILE 15 N 0.63 -0.02 -1.06 2.17 2.07 0.95 -1.46 121.20 124.49 1hvi s ILE 15 Ca -0.03 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 1hvi s ILE 15 Cb -0.15 -0.08 0.03 0.00 0.13 0.00 0.00 42.46 42.39 1hvi s ILE 15 CO 0.02 0.02 0.21 0.61 -1.91 0.00 0.00 174.94 173.90 1hvi n GLY 16 N 3.36 -0.49 3.51 1.50 0.00 -1.26 -0.37 105.19 111.44 1hvi n GLY 16 Ca -0.16 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.94 0.33 3.81 -0.02 0.00 -1.26 -4.99 105.19 102.13 1hvi n GLY 17 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1hvi n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hvi s GLN 18 N -0.73 3.21 0.02 1.61 -2.07 0.50 -5.10 119.66 117.11 1hvi s GLN 18 Ca 0.00 -0.37 -0.25 0.00 -1.82 0.00 0.00 55.36 52.92 1hvi s GLN 18 Cb 0.00 -2.97 -0.05 0.00 -1.09 0.00 0.00 33.01 28.90 1hvi s GLN 18 CO 0.00 0.69 0.77 -0.51 -1.32 0.00 0.00 175.29 174.91 1hvi s LEU 19 N -1.52 4.42 0.19 2.60 1.02 -1.26 -0.03 118.68 124.10 1hvi s LEU 19 Ca 0.21 1.42 0.01 0.00 0.02 0.00 0.00 54.13 55.78 1hvi s LEU 19 Cb -0.12 -3.22 -0.05 0.00 0.02 0.00 0.00 46.19 42.82 1hvi s LEU 19 CO 0.11 -0.02 0.05 -0.54 0.02 0.00 0.00 176.35 175.97 1hvi s LYS 20 N 0.14 1.17 0.01 1.70 1.02 0.11 -4.96 119.74 118.93 1hvi s LYS 20 Ca 0.39 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1hvi s LYS 20 Cb -0.20 -0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1hvi s LYS 20 CO 0.22 -0.22 0.07 -1.83 -0.92 0.00 0.00 175.35 172.67 1hvi s GLU 21 N -4.00 3.00 0.01 1.68 -1.05 -1.26 0.20 118.70 117.29 1hvi s GLU 21 Ca 0.29 -0.53 -0.08 0.00 -0.15 0.00 0.00 54.97 54.50 1hvi s GLU 21 Cb 0.07 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 1hvi s GLU 21 CO 0.07 0.63 0.16 0.00 0.95 0.00 0.00 175.26 177.07 1hvi s ALA 22 N -1.21 -0.35 -0.23 -0.84 0.00 0.31 -4.33 121.76 115.11 1hvi s ALA 22 Ca 0.23 -0.16 -0.20 0.00 0.00 0.00 0.00 51.96 51.83 1hvi s ALA 22 Cb -0.12 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1hvi s ALA 22 CO 0.15 -0.25 0.63 -1.17 0.00 0.00 0.00 175.76 175.11 1hvi s LEU 23 N -1.59 4.09 -0.39 0.00 2.96 0.12 -0.36 118.68 123.52 1hvi s LEU 23 Ca -0.12 0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 54.25 1hvi s LEU 23 Cb -0.06 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 43.78 1hvi s LEU 23 CO 0.00 -0.34 1.33 -0.76 -1.32 0.00 0.00 176.35 175.26 1hvi s LEU 24 N 2.30 3.69 -0.29 -0.68 1.43 -0.15 -0.25 118.68 124.74 1hvi s LEU 24 Ca 0.27 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 1hvi s LEU 24 Cb -0.16 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1hvi s LEU 24 CO 0.09 -1.28 -0.01 -0.62 0.23 0.00 0.00 176.35 174.76 1hvi s ASP 25 N 3.28 4.40 0.12 2.29 2.15 0.20 -4.78 116.67 124.33 1hvi s ASP 25 Ca 0.57 -1.67 0.22 0.00 0.43 0.00 0.00 52.55 52.11 1hvi s ASP 25 Cb -0.13 -1.43 0.89 0.00 -0.30 0.00 0.00 42.92 41.95 1hvi s ASP 25 CO 0.29 -0.30 1.69 0.35 -0.17 0.00 0.00 175.17 177.04 1hvi n THR 26 N 4.46 0.66 1.27 1.71 -2.24 -1.26 -2.87 114.28 116.01 1hvi n THR 26 Ca -0.05 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 61.95 1hvi n THR 26 Cb 0.42 -0.86 0.37 0.00 -2.10 0.00 0.00 70.33 68.16 1hvi n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hvi n GLY 27 N 0.56 0.41 3.69 3.38 0.00 -1.26 -4.85 105.19 107.12 1hvi n GLY 27 Ca 0.04 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.96 3.57 0.28 4.61 0.00 -1.14 -4.96 121.76 122.16 1hvi s ALA 28 Ca 0.34 -0.55 0.14 0.00 0.00 0.00 0.00 51.96 51.90 1hvi s ALA 28 Cb 0.20 -2.52 0.61 0.00 0.00 0.00 0.00 23.12 21.42 1hvi s ALA 28 CO 0.32 -0.16 1.73 -0.44 0.00 0.00 0.00 175.76 177.21 1hvi h ASP 29 N 7.17 0.00 -1.97 0.00 3.32 -1.89 -0.86 116.42 122.19 1hvi h ASP 29 Ca -0.38 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.10 1hvi h ASP 29 Cb 1.16 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.61 1hvi h ASP 29 CO 0.72 0.45 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.27 1hvi s ASP 30 N -6.71 4.30 -0.22 6.45 1.01 -1.26 -3.11 116.67 117.13 1hvi s ASP 30 Ca -0.01 -0.90 -0.10 0.00 0.71 0.00 0.00 52.55 52.25 1hvi s ASP 30 Cb 0.13 -0.60 -0.05 0.00 1.01 0.00 0.00 42.92 43.41 1hvi s ASP 30 CO 0.72 -0.20 0.13 -0.89 0.21 0.00 0.00 175.17 175.14 1hvi s THR 31 N -2.47 5.18 -0.13 -1.27 2.01 -1.26 -3.24 115.64 114.45 1hvi s THR 31 Ca 0.35 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.46 1hvi s THR 31 Cb -0.02 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 69.13 1hvi s THR 31 CO 0.20 0.39 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.71 1hvi s VAL 32 N 0.79 1.39 0.15 3.82 1.01 -0.68 -0.64 120.40 126.23 1hvi s VAL 32 Ca 0.07 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1hvi s VAL 32 Cb -0.13 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1hvi s VAL 32 CO 0.02 0.43 -0.06 -0.76 0.00 0.00 0.00 175.10 174.73 1hvi s LEU 33 N 1.51 3.13 0.78 3.92 1.43 0.91 -0.37 118.68 129.99 1hvi s LEU 33 Ca 0.04 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1hvi s LEU 33 Cb -0.13 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.29 1hvi s LEU 33 CO -0.09 0.12 0.97 -1.84 0.23 0.00 0.00 176.35 175.74 1hvi n GLU 34 N 0.19 0.27 -1.63 1.70 0.28 -1.26 -1.82 120.64 118.37 1hvi n GLU 34 Ca -0.11 0.16 -0.49 0.00 -0.16 0.00 0.00 57.16 56.55 1hvi n GLU 34 Cb 0.54 -2.24 -0.05 0.00 1.43 0.00 0.00 31.44 31.12 1hvi n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1hvi n GLU 35 N -2.33 1.66 -3.47 3.44 4.07 -0.87 -4.54 120.64 118.60 1hvi n GLU 35 Ca 0.12 0.60 -0.11 0.00 -0.06 0.00 0.00 57.16 57.71 1hvi n GLU 35 Cb 0.50 -2.31 -0.03 0.00 -0.06 0.00 0.00 31.44 29.55 1hvi n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hvi s MET 36 N 0.74 1.05 -0.84 5.31 0.23 -1.26 -5.03 119.30 119.49 1hvi s MET 36 Ca 0.82 -0.30 -0.03 0.00 -1.03 0.00 0.00 55.69 55.14 1hvi s MET 36 Cb -0.81 0.48 0.21 0.00 -1.53 0.00 0.00 34.83 33.18 1hvi s MET 36 CO 0.42 -0.44 0.72 -1.54 -2.03 0.00 0.00 175.02 172.16 1hvi s SER 37 N -2.40 5.97 0.29 -1.18 1.04 -1.26 -5.03 113.70 111.14 1hvi s SER 37 Ca 0.01 -3.44 -0.29 0.00 0.48 0.00 0.00 55.95 52.71 1hvi s SER 37 Cb -0.01 -1.94 -0.10 0.00 0.10 0.00 0.00 66.02 64.07 1hvi s SER 37 CO -0.08 -0.26 1.35 -0.76 0.98 0.00 0.00 173.24 174.46 1hvi s LEU 38 N -0.93 4.41 0.71 2.42 1.43 -1.26 -5.03 118.68 120.43 1hvi s LEU 38 Ca 0.24 2.66 -0.13 0.00 -1.03 0.00 0.00 54.13 55.87 1hvi s LEU 38 Cb -0.11 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.50 1hvi s LEU 38 CO -0.10 -0.59 1.11 -2.16 0.23 0.00 0.00 176.35 174.84 1hvi s PRO 39 N -1.20 2.50 0.00 1.29 0.04 -1.26 -4.94 135.00 131.43 1hvi s PRO 39 Ca 0.53 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1hvi s PRO 39 Cb -0.40 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1hvi s PRO 39 CO 0.49 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1hvi n GLY 40 N -0.68 3.23 3.84 0.56 0.00 -1.26 -5.04 105.19 105.84 1hvi n GLY 40 Ca 0.10 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.78 4.06 0.20 1.61 3.00 -1.26 -5.08 118.95 118.70 1hvi s ARG 41 Ca 0.00 0.78 0.03 0.00 0.00 0.00 0.00 55.73 56.54 1hvi s ARG 41 Cb 0.00 -2.38 -0.05 0.00 0.00 0.00 0.00 34.95 32.52 1hvi s ARG 41 CO 0.00 0.12 -0.03 1.67 0.00 0.00 0.00 175.30 177.06 1hvi s TRP 42 N -2.02 1.43 0.04 -0.53 1.48 -1.26 -4.62 118.94 113.46 1hvi s TRP 42 Ca 0.56 -0.90 0.09 0.00 -1.06 0.00 0.00 56.10 54.79 1hvi s TRP 42 Cb -0.10 -0.80 -0.03 0.00 -1.16 0.00 0.00 33.47 31.38 1hvi s TRP 42 CO 0.16 -0.04 -0.25 0.15 -4.06 0.00 0.00 176.95 172.92 1hvi s LYS 43 N -3.84 1.86 0.46 3.25 1.02 -0.48 -4.90 119.74 117.11 1hvi s LYS 43 Ca 0.25 -1.09 -0.22 0.00 0.02 0.00 0.00 55.97 54.94 1hvi s LYS 43 Cb 0.05 -2.03 -0.08 0.00 -0.52 0.00 0.00 37.83 35.25 1hvi s LYS 43 CO 0.06 0.52 1.07 -1.25 -0.92 0.00 0.00 175.35 174.83 1hvi s PRO 44 N -1.29 3.85 0.05 -1.68 0.04 -1.26 0.26 135.00 134.96 1hvi s PRO 44 Ca 0.12 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.45 1hvi s PRO 44 Cb -0.10 -2.27 0.05 0.00 0.04 0.00 0.00 34.50 32.22 1hvi s PRO 44 CO 0.03 -0.41 0.49 0.21 0.04 0.00 0.00 177.00 177.35 1hvi s LYS 45 N -2.93 1.00 -0.15 4.56 2.20 0.46 -4.83 119.74 120.05 1hvi s LYS 45 Ca 0.64 -0.28 -0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1hvi s LYS 45 Cb -0.21 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1hvi s LYS 45 CO 0.25 -0.36 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.12 1hvi s MET 46 N -2.48 3.30 0.11 4.03 -1.94 -1.26 -0.25 119.30 120.82 1hvi s MET 46 Ca -0.05 -0.71 0.10 0.00 -1.71 0.00 0.00 55.69 53.32 1hvi s MET 46 Cb -0.01 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 1hvi s MET 46 CO -0.02 0.06 -0.26 0.96 -0.01 0.00 0.00 175.02 175.75 1hvi s ILE 47 N 0.73 2.20 0.26 2.53 -5.25 -0.45 -4.93 121.20 116.28 1hvi s ILE 47 Ca -0.06 -1.66 0.08 0.00 -0.99 0.00 0.00 60.65 58.02 1hvi s ILE 47 Cb -0.15 -1.93 -0.04 0.00 2.95 0.00 0.00 42.46 43.28 1hvi s ILE 47 CO 0.02 0.14 0.10 -0.83 -1.79 0.00 0.00 174.94 172.57 1hvi s GLY 48 N -1.87 1.53 0.00 6.27 0.00 -1.26 -0.42 107.32 111.57 1hvi s GLY 48 Ca 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1hvi s GLY 48 CO 0.05 -1.59 0.00 0.61 0.00 0.00 0.00 173.10 172.17 1hvi n GLY 49 N -1.04 4.27 0.27 0.20 0.00 0.62 -4.98 105.19 104.54 1hvi n GLY 49 Ca -0.07 -0.99 -0.00 0.00 0.00 0.00 0.00 46.02 44.96 1hvi n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hvi h ILE 50 N 0.00 1.20 -0.36 -0.61 2.10 -2.04 -3.15 117.51 114.65 1hvi h ILE 50 Ca 0.00 -0.80 0.00 0.00 1.08 0.00 0.00 64.86 65.14 1hvi h ILE 50 Cb 0.00 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 1hvi h ILE 50 CO 0.00 0.27 0.00 0.61 -1.08 0.00 0.00 178.15 177.95 1hvi n GLY 51 N -0.86 1.67 0.00 8.18 0.00 -1.26 -5.06 105.19 107.86 1hvi n GLY 51 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 1.38 0.87 3.56 -0.02 0.00 -1.19 -5.12 105.19 104.66 1hvi n GLY 52 Ca 0.18 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.24 2.64 0.15 1.61 0.40 -1.26 -0.28 117.98 119.01 1hvi s PHE 53 Ca 0.00 -0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 1hvi s PHE 53 Cb 0.00 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 1hvi s PHE 53 CO 0.00 0.47 -0.11 0.96 0.70 0.00 0.00 175.22 177.24 1hvi s ILE 54 N -1.47 1.26 -0.06 0.64 -4.36 0.44 -4.95 121.20 112.70 1hvi s ILE 54 Ca 0.23 -2.07 -0.18 0.00 -0.26 0.00 0.00 60.65 58.37 1hvi s ILE 54 Cb -0.10 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.70 1hvi s ILE 54 CO 0.14 -0.71 0.50 -0.54 0.24 0.00 0.00 174.94 174.57 1hvi s LYS 55 N -3.68 4.25 0.19 0.37 1.02 -1.26 -1.34 119.74 119.28 1hvi s LYS 55 Ca 0.17 0.53 0.03 0.00 0.02 0.00 0.00 55.97 56.73 1hvi s LYS 55 Cb 0.02 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1hvi s LYS 55 CO 0.02 0.34 -0.03 0.14 -0.92 0.00 0.00 175.35 174.90 1hvi s VAL 56 N 0.01 0.97 -0.17 3.17 -7.23 0.66 -4.54 120.40 113.26 1hvi s VAL 56 Ca 0.27 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 1hvi s VAL 56 Cb -0.16 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1hvi s VAL 56 CO 0.13 -0.48 0.03 -0.13 -0.31 0.00 0.00 175.10 174.34 1hvi s ARG 57 N -3.85 3.83 -0.30 4.82 0.52 0.40 -0.40 118.95 123.98 1hvi s ARG 57 Ca 0.24 -0.40 -0.17 0.00 -0.52 0.00 0.00 55.73 54.88 1hvi s ARG 57 Cb 0.05 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.40 1hvi s ARG 57 CO 0.05 0.29 0.47 -1.14 0.02 0.00 0.00 175.30 174.99 1hvi s GLN 58 N 0.28 3.88 -0.13 3.54 0.74 0.14 -0.20 119.66 127.91 1hvi s GLN 58 Ca 0.01 0.04 -0.03 0.00 0.05 0.00 0.00 55.36 55.44 1hvi s GLN 58 Cb -0.13 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 1hvi s GLN 58 CO 0.01 -0.44 -0.04 0.71 -0.55 0.00 0.00 175.29 174.98 1hvi s TYR 59 N 2.26 3.03 0.25 1.67 1.51 -0.04 -1.38 117.35 124.65 1hvi s TYR 59 Ca 0.18 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.14 1hvi s TYR 59 Cb -0.16 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1hvi s TYR 59 CO 0.11 0.11 0.26 -0.51 -1.11 0.00 0.00 175.55 174.41 1hvi s ASP 60 N -0.05 5.85 -1.52 2.29 1.01 -1.26 -0.74 116.67 122.25 1hvi s ASP 60 Ca 0.02 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.16 1hvi s ASP 60 Cb -0.13 -1.59 0.00 0.00 1.01 0.00 0.00 42.92 42.20 1hvi s ASP 60 CO 0.03 -0.05 0.00 0.00 0.21 0.00 0.00 175.17 175.36 1hvi n GLN 61 N -1.26 -1.31 -2.84 8.23 1.13 -1.02 -4.90 117.38 115.41 1hvi n GLN 61 Ca -0.08 0.88 -0.41 0.00 -1.94 0.00 0.00 57.00 55.44 1hvi n GLN 61 Cb 0.57 -5.27 -0.04 0.00 0.11 0.00 0.00 30.24 25.61 1hvi n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hvi s ILE 62 N -2.80 4.77 -0.19 5.09 -1.09 0.34 -4.64 121.20 122.68 1hvi s ILE 62 Ca 0.00 1.85 -0.26 0.00 -2.23 0.00 0.00 60.65 60.01 1hvi s ILE 62 Cb 0.00 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1hvi s ILE 62 CO 0.00 0.27 0.89 -0.22 -1.23 0.00 0.00 174.94 174.65 1hvi s LEU 63 N 0.45 4.15 0.03 2.97 1.98 -1.26 -0.95 118.68 126.05 1hvi s LEU 63 Ca 0.45 1.23 0.08 0.00 -2.89 0.00 0.00 54.13 53.00 1hvi s LEU 63 Cb -0.21 -3.32 -0.02 0.00 0.66 0.00 0.00 46.19 43.29 1hvi s LEU 63 CO 0.25 -0.49 -0.24 -0.63 -1.89 0.00 0.00 176.35 173.36 1hvi s ILE 64 N 2.50 1.94 -0.21 6.68 1.01 -0.02 -4.53 121.20 128.58 1hvi s ILE 64 Ca 0.40 -1.23 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1hvi s ILE 64 Cb -0.16 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1hvi s ILE 64 CO 0.11 0.38 -0.05 -0.70 0.00 0.00 0.00 174.94 174.67 1hvi s GLU 65 N -1.02 3.38 -0.32 2.79 2.12 -0.53 -0.70 118.70 124.42 1hvi s GLU 65 Ca 0.10 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.75 1hvi s GLU 65 Cb -0.09 -2.98 0.04 0.00 0.26 0.00 0.00 34.13 31.35 1hvi s GLU 65 CO 0.01 -0.16 0.08 0.42 -0.54 0.00 0.00 175.26 175.07 1hvi s ILE 66 N 1.37 3.64 -1.48 -3.70 1.01 0.74 -1.29 121.20 121.49 1hvi s ILE 66 Ca 0.04 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1hvi s ILE 66 Cb -0.14 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1hvi s ILE 66 CO -0.03 -0.10 0.25 0.00 0.00 0.00 0.00 174.94 175.06 1hvi n GLY 68 N -2.21 2.75 3.66 0.00 0.00 -1.26 -5.00 105.19 103.13 1hvi n GLY 68 Ca -0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.19 3.34 0.36 1.61 4.02 0.21 -5.06 115.29 117.58 1hvi s HIS 69 Ca 0.00 0.47 -0.24 0.00 1.02 0.00 0.00 55.06 56.31 1hvi s HIS 69 Cb 0.00 -2.45 -0.10 0.00 -1.02 0.00 0.00 32.58 29.01 1hvi s HIS 69 CO 0.00 -0.01 0.95 0.15 1.02 0.00 0.00 174.74 176.85 1hvi s LYS 70 N 1.32 4.46 0.00 1.40 1.02 -1.26 -0.19 119.74 126.49 1hvi s LYS 70 Ca 0.15 1.28 -0.05 0.00 0.02 0.00 0.00 55.97 57.37 1hvi s LYS 70 Cb -0.14 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.56 1hvi s LYS 70 CO 0.07 0.17 0.08 0.00 -0.92 0.00 0.00 175.35 174.75 1hvi s ALA 71 N -1.78 -0.18 -0.07 5.17 0.00 0.12 -4.71 121.76 120.31 1hvi s ALA 71 Ca 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1hvi s ALA 71 Cb -0.16 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1hvi s ALA 71 CO 0.21 -0.18 -0.05 0.42 0.00 0.00 0.00 175.76 176.16 1hvi s ILE 72 N -1.29 0.68 0.00 0.00 1.09 -1.26 -0.84 121.20 119.58 1hvi s ILE 72 Ca -0.14 -0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.27 1hvi s ILE 72 Cb -0.08 -0.72 0.00 0.00 -1.06 0.00 0.00 42.46 40.60 1hvi s ILE 72 CO 0.01 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 175.74 1hvi n GLY 73 N 4.50 0.97 3.72 6.18 0.00 -0.12 -4.86 105.19 115.59 1hvi n GLY 73 Ca -0.17 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.14 4.77 -0.06 2.61 2.01 -1.26 -0.51 115.64 121.07 1hvi s THR 74 Ca 0.00 1.89 0.05 0.00 0.31 0.00 0.00 61.69 63.95 1hvi s THR 74 Cb 0.00 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 1hvi s THR 74 CO 0.00 0.25 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.27 1hvi s VAL 75 N 0.51 1.87 -0.16 3.82 1.01 0.08 -4.42 120.40 123.10 1hvi s VAL 75 Ca 0.46 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 1hvi s VAL 75 Cb -0.21 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1hvi s VAL 75 CO 0.26 0.52 0.12 -0.76 0.00 0.00 0.00 175.10 175.24 1hvi s LEU 76 N -0.06 4.17 -0.08 3.92 1.43 0.19 -0.86 118.68 127.39 1hvi s LEU 76 Ca -0.05 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1hvi s LEU 76 Cb -0.13 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1hvi s LEU 76 CO 0.04 0.27 -0.23 -0.69 0.23 0.00 0.00 176.35 175.96 1hvi s VAL 77 N -0.16 2.16 0.00 -1.59 1.01 0.72 -0.06 120.40 122.48 1hvi s VAL 77 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1hvi s VAL 77 Cb -0.12 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1hvi s VAL 77 CO 0.01 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1hvi n GLY 78 N 3.27 0.82 2.11 4.51 0.00 -0.76 -0.45 105.19 114.69 1hvi n GLY 78 Ca -0.18 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 1.63 -2.66 1.61 -0.04 -1.26 -2.05 135.00 132.23 1hvi n PRO 79 Ca 0.00 -0.83 -0.38 0.00 -0.04 0.00 0.00 63.50 62.25 1hvi n PRO 79 Cb 0.00 -1.92 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 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 1.45 3.93 0.36 0.52 -1.32 -1.26 -4.97 115.64 114.35 1hvi s THR 80 Ca 0.53 1.71 0.05 0.00 -1.21 0.00 0.00 61.69 62.77 1hvi s THR 80 Cb 0.25 -4.00 0.20 0.00 -1.51 0.00 0.00 72.50 67.45 1hvi s THR 80 CO -0.00 0.23 1.95 -0.65 -2.21 0.00 0.00 174.62 173.94 1hvi h PRO 81 N 3.36 0.57 -5.32 7.08 0.11 -1.99 -3.43 132.00 132.39 1hvi h PRO 81 Ca -0.47 -0.08 -0.47 0.00 0.11 0.00 0.00 66.00 65.09 1hvi h PRO 81 Cb 1.20 -0.10 -0.27 0.00 0.11 0.00 0.00 31.00 31.93 1hvi h PRO 81 CO 0.65 0.49 -0.81 0.54 -0.21 0.00 0.00 178.00 178.67 1hvi s VAL 82 N -5.23 1.12 0.05 3.15 0.11 -1.26 -5.04 120.40 113.30 1hvi s VAL 82 Ca -0.08 -0.76 -0.31 0.00 -2.93 0.00 0.00 61.98 57.91 1hvi s VAL 82 Cb 0.16 -0.97 -0.06 0.00 -1.53 0.00 0.00 36.38 33.99 1hvi s VAL 82 CO 0.75 0.20 1.29 0.20 -3.33 0.00 0.00 175.10 174.21 1hvi s ASN 83 N -0.64 6.97 -0.21 3.54 0.01 -1.26 -4.63 114.94 118.71 1hvi s ASN 83 Ca 0.04 2.08 -0.01 0.00 -0.71 0.00 0.00 52.86 54.26 1hvi s ASN 83 Cb -0.06 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1hvi s ASN 83 CO 0.00 -0.58 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.28 1hvi s ILE 84 N 1.50 2.75 -0.33 0.60 1.01 0.50 0.11 121.20 127.33 1hvi s ILE 84 Ca 0.61 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 1hvi s ILE 84 Cb -0.31 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1hvi s ILE 84 CO 0.28 0.41 0.56 -0.63 0.00 0.00 0.00 174.94 175.56 1hvi s ILE 85 N 1.37 4.98 0.60 2.92 -1.09 0.66 -1.69 121.20 128.94 1hvi s ILE 85 Ca 0.04 0.53 0.06 0.00 -2.23 0.00 0.00 60.65 59.05 1hvi s ILE 85 Cb -0.14 -3.98 0.11 0.00 -1.58 0.00 0.00 42.46 36.87 1hvi s ILE 85 CO -0.07 -0.19 0.82 0.61 -1.23 0.00 0.00 174.94 174.88 1hvi n GLY 86 N 4.67 1.53 0.25 6.18 0.00 -1.20 -0.62 105.19 116.01 1hvi n GLY 86 Ca -0.03 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.49 1.61 3.08 -1.24 -1.63 114.38 115.71 1hvi h ARG 87 Ca -0.28 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.90 1hvi h ARG 87 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1hvi h ARG 87 CO 0.36 0.06 0.34 -2.95 -1.07 0.00 0.00 179.97 176.71 1hvi h ASN 88 N 0.00 0.10 0.00 7.04 -1.07 -1.81 -2.26 115.58 117.59 1hvi h ASN 88 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.01 1hvi h ASN 88 Cb 0.11 -0.02 -0.07 0.00 -2.07 0.00 0.00 38.32 36.27 1hvi h ASN 88 CO 0.01 0.06 -2.35 0.18 0.07 0.00 0.00 177.43 175.40 1hvi n LEU 89 N -4.43 0.15 -0.33 6.14 4.77 -0.75 -4.41 117.00 118.14 1hvi n LEU 89 Ca 0.08 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1hvi n LEU 89 Cb 0.48 0.42 0.16 0.00 -2.33 0.00 0.00 43.42 42.15 1hvi n LEU 89 CO 0.36 0.51 1.22 -0.07 -1.33 0.00 0.00 177.39 178.07 1hvi h LEU 90 N 0.00 0.91 -1.04 2.23 3.38 -1.17 -1.85 115.31 117.77 1hvi h LEU 90 Ca -0.53 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1hvi h LEU 90 Cb 2.19 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.72 1hvi h LEU 90 CO 0.02 0.57 0.60 0.71 0.09 0.00 0.00 178.44 180.44 1hvi h THR 91 N 1.04 1.25 0.00 0.22 1.35 -1.65 -2.08 112.91 113.03 1hvi h THR 91 Ca 0.40 -0.48 -0.05 0.00 -0.55 0.00 0.00 66.41 65.73 1hvi h THR 91 Cb 0.19 -0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.49 1hvi h THR 91 CO -0.18 0.25 -0.26 1.56 -0.25 0.00 0.00 175.52 176.64 1hvi h GLN 92 N 1.28 0.00 -0.13 4.72 4.20 -1.55 -2.18 115.11 121.45 1hvi h GLN 92 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1hvi h GLN 92 Cb -0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1hvi h GLN 92 CO -0.07 0.26 0.00 0.44 -0.67 0.00 0.00 178.83 178.79 1hvi n ILE 93 N -4.13 0.16 -1.92 2.54 -5.35 -1.00 -4.91 119.36 104.76 1hvi n ILE 93 Ca -0.02 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1hvi n ILE 93 Cb 0.32 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 1.04 0.38 3.73 3.28 0.00 -0.82 -5.00 105.19 107.80 1hvi n GLY 94 Ca 0.15 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 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 0.46 1.74 -0.20 0.00 -4.23 -1.26 -4.72 115.64 107.44 1hvi s THR 96 Ca 0.36 -2.15 -0.08 0.00 -1.18 0.00 0.00 61.69 58.63 1hvi s THR 96 Cb -0.18 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1hvi s THR 96 CO 0.18 -0.55 0.09 -0.76 -0.54 0.00 0.00 174.62 173.05 1hvi s LEU 97 N -3.19 3.95 -0.06 4.79 1.43 -1.26 -5.09 118.68 119.25 1hvi s LEU 97 Ca 0.21 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1hvi s LEU 97 Cb -0.02 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1hvi s LEU 97 CO 0.07 0.16 -0.11 0.20 0.23 0.00 0.00 176.35 176.89 1hvi s ASN 98 N 0.47 1.65 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.92 1hvi s ASN 98 Ca 0.05 -0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.07 1hvi s ASN 98 Cb -0.12 -0.74 0.00 0.00 -0.02 0.00 0.00 41.25 40.37 1hvi s ASN 98 CO 0.00 0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.78