#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hos s GLN 2 N 0.00 3.60 -0.25 -0.52 0.74 -1.26 -5.07 119.66 116.90 1hos s GLN 2 Ca 0.00 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 54.90 1hos s GLN 2 Cb 0.00 -3.14 0.04 0.00 1.10 0.00 0.00 33.01 31.02 1hos s GLN 2 CO 0.00 -0.06 -0.09 0.42 -0.55 0.00 0.00 175.29 175.01 1hos s ILE 3 N 1.21 2.50 0.66 -2.34 1.01 -1.26 -5.11 121.20 117.86 1hos s ILE 3 Ca 0.03 -1.33 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 1hos s ILE 3 Cb -0.15 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 1hos s ILE 3 CO 0.02 0.09 1.04 0.42 0.00 0.00 0.00 174.94 176.51 1hos s THR 4 N 1.21 4.34 -0.42 2.92 -4.23 -1.26 -5.01 115.64 113.20 1hos s THR 4 Ca -0.04 0.78 0.05 0.00 -1.18 0.00 0.00 61.69 61.30 1hos s THR 4 Cb -0.18 -3.62 0.64 0.00 1.34 0.00 0.00 72.50 70.68 1hos s THR 4 CO -0.05 -0.98 1.83 0.18 -0.54 0.00 0.00 174.62 175.06 1hos n LEU 5 N -2.90 6.24 0.17 4.79 4.77 -1.26 -4.48 117.00 124.33 1hos n LEU 5 Ca 0.07 -3.63 0.04 0.00 -0.03 0.00 0.00 56.01 52.46 1hos n LEU 5 Cb 0.54 -0.80 0.20 0.00 -2.33 0.00 0.00 43.42 41.03 1hos n LEU 5 CO 0.56 1.09 0.58 -0.50 -1.33 0.00 0.00 177.39 177.79 1hos h TRP 6 N 1.05 0.00 -2.13 -1.77 4.06 -2.06 -3.44 115.95 111.65 1hos h TRP 6 Ca 0.55 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.89 1hos h TRP 6 Cb 2.64 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 30.66 1hos h TRP 6 CO 1.49 0.44 -0.73 -1.14 -3.56 0.00 0.00 178.44 174.94 1hos s GLN 7 N -3.31 1.77 0.18 0.49 2.00 -1.26 -5.09 119.66 114.44 1hos s GLN 7 Ca 0.02 -1.79 -0.31 0.00 -2.00 0.00 0.00 55.36 51.28 1hos s GLN 7 Cb 0.09 -1.78 -0.09 0.00 0.80 0.00 0.00 33.01 32.03 1hos s GLN 7 CO 0.71 0.27 1.40 1.03 -0.50 0.00 0.00 175.29 178.20 1hos s ARG 8 N -3.55 4.32 -1.04 1.67 3.00 -1.26 -4.86 118.95 117.23 1hos s ARG 8 Ca 0.31 2.16 -0.23 0.00 0.00 0.00 0.00 55.73 57.97 1hos s ARG 8 Cb -0.03 -3.18 -0.12 0.00 0.00 0.00 0.00 34.95 31.62 1hos s ARG 8 CO 0.16 -0.39 1.93 -0.35 0.00 0.00 0.00 175.30 176.64 1hos n PRO 9 N 3.08 1.48 -3.77 3.54 -0.04 -1.26 -4.93 135.00 133.09 1hos n PRO 9 Ca 0.09 -2.23 -0.36 0.00 -0.04 0.00 0.00 63.50 60.95 1hos n PRO 9 Cb 0.41 -3.48 -0.07 0.00 -0.04 0.00 0.00 33.50 30.32 1hos n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hos s LEU 10 N 8.25 4.32 0.10 1.53 1.43 -1.26 -0.93 118.68 132.12 1hos s LEU 10 Ca 0.66 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 1hos s LEU 10 Cb 0.04 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1hos s LEU 10 CO 0.14 0.30 -0.09 -0.69 0.23 0.00 0.00 176.35 176.24 1hos s VAL 11 N -0.40 0.85 0.20 -1.59 1.01 0.16 -4.93 120.40 115.70 1hos s VAL 11 Ca 0.13 -1.74 -0.20 0.00 0.00 0.00 0.00 61.98 60.17 1hos s VAL 11 Cb -0.12 -1.46 -0.08 0.00 0.00 0.00 0.00 36.38 34.72 1hos s VAL 11 CO 0.02 -0.67 0.71 -0.89 0.00 0.00 0.00 175.10 174.28 1hos s THR 12 N -2.85 4.56 0.05 3.92 2.01 -1.26 -0.54 115.64 121.53 1hos s THR 12 Ca 0.08 1.32 0.04 0.00 0.31 0.00 0.00 61.69 63.43 1hos s THR 12 Cb -0.00 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1hos s THR 12 CO -0.01 0.27 -0.12 0.27 -0.69 0.00 0.00 174.62 174.34 1hos s ILE 13 N -1.44 0.89 -0.24 1.82 -4.36 -0.25 -0.83 121.20 116.77 1hos s ILE 13 Ca 0.41 -1.07 -0.01 0.00 -0.26 0.00 0.00 60.65 59.72 1hos s ILE 13 Cb -0.18 -0.86 0.03 0.00 1.25 0.00 0.00 42.46 42.70 1hos s ILE 13 CO 0.21 -0.18 -0.08 -0.75 0.24 0.00 0.00 174.94 174.39 1hos s LYS 14 N -1.40 2.79 -0.01 0.37 2.20 0.30 -0.73 119.74 123.26 1hos s LYS 14 Ca -0.03 -1.00 0.01 0.00 -0.36 0.00 0.00 55.97 54.59 1hos s LYS 14 Cb -0.09 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1hos s LYS 14 CO 0.01 -0.40 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.08 1hos s ILE 15 N 1.30 0.24 -1.40 5.43 2.07 -0.14 -1.80 121.20 126.90 1hos s ILE 15 Ca -0.00 -0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 1hos s ILE 15 Cb -0.17 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.20 1hos s ILE 15 CO -0.05 0.09 0.06 0.61 -1.91 0.00 0.00 174.94 173.73 1hos n GLY 16 N 3.25 -0.17 2.64 1.50 0.00 -1.26 0.54 105.19 111.68 1hos n GLY 16 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1hos n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hos n GLY 17 N -2.42 0.90 3.30 -0.02 0.00 -1.26 -4.98 105.19 100.71 1hos n GLY 17 Ca -0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1hos n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hos s GLN 18 N -0.08 1.30 -0.19 1.61 -0.21 0.19 -5.12 119.66 117.17 1hos s GLN 18 Ca 0.00 -1.14 -0.12 0.00 0.02 0.00 0.00 55.36 54.11 1hos s GLN 18 Cb 0.00 -1.58 -0.05 0.00 1.00 0.00 0.00 33.01 32.39 1hos s GLN 18 CO 0.00 0.38 0.23 -0.51 -2.12 0.00 0.00 175.29 173.27 1hos s LEU 19 N -1.70 4.21 0.26 2.90 2.01 -1.26 -0.97 118.68 124.12 1hos s LEU 19 Ca 0.09 0.36 0.01 0.00 0.01 0.00 0.00 54.13 54.60 1hos s LEU 19 Cb -0.10 -2.26 -0.05 0.00 0.01 0.00 0.00 46.19 43.79 1hos s LEU 19 CO 0.04 0.10 0.10 -0.54 1.01 0.00 0.00 176.35 177.06 1hos s LYS 20 N 0.60 1.44 -0.07 1.70 3.01 0.09 -5.00 119.74 121.51 1hos s LYS 20 Ca 0.13 -1.78 0.03 0.00 -1.01 0.00 0.00 55.97 53.34 1hos s LYS 20 Cb -0.13 -0.29 0.00 0.00 -1.01 0.00 0.00 37.83 36.40 1hos s LYS 20 CO 0.02 -0.30 -0.17 -2.00 0.51 0.00 0.00 175.35 173.42 1hos s GLU 21 N -4.02 2.09 0.08 1.68 2.12 -1.26 -1.09 118.70 118.30 1hos s GLU 21 Ca 0.38 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1hos s GLU 21 Cb 0.08 -1.70 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 1hos s GLU 21 CO 0.14 0.14 -0.04 0.00 -0.54 0.00 0.00 175.26 174.96 1hos s ALA 22 N 0.38 0.78 -0.14 6.30 0.00 0.30 -4.56 121.76 124.82 1hos s ALA 22 Ca -0.12 -1.31 -0.24 0.00 0.00 0.00 0.00 51.96 50.29 1hos s ALA 22 Cb -0.15 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1hos s ALA 22 CO 0.05 -0.32 0.75 -1.17 0.00 0.00 0.00 175.76 175.06 1hos s LEU 23 N -3.00 4.22 -0.50 0.00 0.20 -0.35 -0.66 118.68 118.59 1hos s LEU 23 Ca 0.11 1.11 -0.26 0.00 0.69 0.00 0.00 54.13 55.79 1hos s LEU 23 Cb 0.07 -3.12 0.03 0.00 -0.43 0.00 0.00 46.19 42.74 1hos s LEU 23 CO -0.06 -0.27 0.97 -0.76 -0.29 0.00 0.00 176.35 175.93 1hos s LEU 24 N 1.63 3.96 -0.38 -0.68 1.02 -0.11 -1.67 118.68 122.45 1hos s LEU 24 Ca 0.36 0.01 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 1hos s LEU 24 Cb -0.17 -3.11 0.10 0.00 0.02 0.00 0.00 46.19 43.03 1hos s LEU 24 CO 0.14 -1.15 0.15 -0.62 0.02 0.00 0.00 176.35 174.89 1hos s ASP 25 N 2.50 5.11 0.00 2.29 2.15 -0.80 -4.83 116.67 123.08 1hos s ASP 25 Ca 0.36 -1.97 0.16 0.00 0.43 0.00 0.00 52.55 51.53 1hos s ASP 25 Cb -0.10 -1.77 0.86 0.00 -0.30 0.00 0.00 42.92 41.60 1hos s ASP 25 CO 0.25 -0.47 1.40 0.35 -0.17 0.00 0.00 175.17 176.53 1hos n THR 26 N 4.52 0.31 -0.33 1.71 -2.24 -1.26 -2.46 114.28 114.53 1hos n THR 26 Ca -0.02 0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 1hos n THR 26 Cb 0.42 -0.83 0.18 0.00 -2.10 0.00 0.00 70.33 68.00 1hos n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hos n GLY 27 N 0.01 2.96 3.37 3.38 0.00 -1.26 -4.91 105.19 108.73 1hos n GLY 27 Ca 0.09 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1hos n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hos s ALA 28 N -1.32 2.63 0.16 4.61 0.00 -1.03 -5.00 121.76 121.81 1hos s ALA 28 Ca 0.28 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1hos s ALA 28 Cb 0.17 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1hos s ALA 28 CO 0.16 0.21 1.37 -0.44 0.00 0.00 0.00 175.76 177.06 1hos h ASP 29 N 6.77 0.41 -1.67 0.00 3.32 -1.91 -1.51 116.42 121.84 1hos h ASP 29 Ca -0.27 -0.31 -0.58 0.00 0.02 0.00 0.00 57.03 55.89 1hos h ASP 29 Cb 1.21 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.54 1hos h ASP 29 CO 0.56 1.09 -0.54 -1.81 -1.72 0.00 0.00 179.24 176.82 1hos s ASP 30 N -6.99 4.25 -0.29 6.45 1.01 -1.26 -2.99 116.67 116.85 1hos s ASP 30 Ca -0.05 -1.13 -0.13 0.00 0.71 0.00 0.00 52.55 51.95 1hos s ASP 30 Cb 0.10 -0.47 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 1hos s ASP 30 CO 0.84 -0.47 0.28 -0.89 0.21 0.00 0.00 175.17 175.15 1hos s THR 31 N -2.61 5.24 -0.17 -1.27 2.01 -1.26 -3.15 115.64 114.42 1hos s THR 31 Ca 0.38 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.65 1hos s THR 31 Cb 0.05 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.94 1hos s THR 31 CO 0.21 0.15 -0.16 0.54 -0.69 0.00 0.00 174.62 174.67 1hos s VAL 32 N 1.90 1.80 0.09 3.82 0.11 -0.87 -1.27 120.40 125.98 1hos s VAL 32 Ca 0.10 -0.86 0.05 0.00 -2.93 0.00 0.00 61.98 58.34 1hos s VAL 32 Cb -0.16 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 1hos s VAL 32 CO 0.11 0.42 0.00 -0.76 -3.33 0.00 0.00 175.10 171.54 1hos s LEU 33 N 1.38 3.47 0.62 2.54 2.01 -0.13 -0.61 118.68 127.96 1hos s LEU 33 Ca 0.03 -0.17 -0.18 0.00 0.01 0.00 0.00 54.13 53.83 1hos s LEU 33 Cb -0.14 -2.20 -0.06 0.00 0.01 0.00 0.00 46.19 43.81 1hos s LEU 33 CO -0.11 0.18 0.69 -1.84 1.01 0.00 0.00 176.35 176.28 1hos n GLU 34 N 0.59 0.58 -1.68 1.70 0.28 -1.26 -1.80 120.64 119.05 1hos n GLU 34 Ca -0.11 0.23 -0.49 0.00 -0.16 0.00 0.00 57.16 56.63 1hos n GLU 34 Cb 0.52 -1.90 -0.05 0.00 1.43 0.00 0.00 31.44 31.43 1hos n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1hos n GLU 35 N -0.62 2.02 -4.05 3.44 0.00 -1.06 -4.48 120.64 115.90 1hos n GLU 35 Ca 0.12 0.74 -0.11 0.00 0.00 0.00 0.00 57.16 57.90 1hos n GLU 35 Cb 0.48 -2.59 -0.05 0.00 0.00 0.00 0.00 31.44 29.28 1hos n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1hos s MET 36 N 4.16 1.67 -0.38 5.31 0.23 -1.26 -5.00 119.30 124.03 1hos s MET 36 Ca 0.94 -1.49 -0.22 0.00 -1.03 0.00 0.00 55.69 53.89 1hos s MET 36 Cb -0.74 0.44 0.01 0.00 -1.53 0.00 0.00 34.83 33.02 1hos s MET 36 CO 0.53 -0.69 0.72 0.45 -2.03 0.00 0.00 175.02 174.01 1hos s SER 37 N -3.12 6.48 -0.00 -1.18 0.15 -1.26 -5.03 113.70 109.73 1hos s SER 37 Ca 0.27 0.19 0.01 0.00 0.70 0.00 0.00 55.95 57.12 1hos s SER 37 Cb 0.00 -2.37 -0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1hos s SER 37 CO 0.14 -0.71 -0.03 -0.22 1.20 0.00 0.00 173.24 173.62 1hos s LEU 38 N 2.96 1.97 0.36 3.45 2.96 -1.26 -4.96 118.68 124.16 1hos s LEU 38 Ca 0.28 -0.06 -0.25 0.00 -0.22 0.00 0.00 54.13 53.88 1hos s LEU 38 Cb -0.14 -0.17 -0.10 0.00 0.50 0.00 0.00 46.19 46.29 1hos s LEU 38 CO 0.17 0.03 0.98 -2.16 -1.32 0.00 0.00 176.35 174.05 1hos s PRO 39 N -0.03 4.43 0.00 0.98 0.04 -1.26 -5.01 135.00 134.14 1hos s PRO 39 Ca 0.01 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1hos s PRO 39 Cb -0.02 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1hos s PRO 39 CO -0.00 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.57 1hos n GLY 40 N 0.38 1.80 3.94 0.56 0.00 -1.26 -5.04 105.19 105.56 1hos n GLY 40 Ca 0.03 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 1hos n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hos s ARG 41 N -1.37 3.49 0.18 1.61 3.00 -1.26 -5.10 118.95 119.50 1hos s ARG 41 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 55.73 55.31 1hos s ARG 41 Cb 0.00 -2.85 -0.05 0.00 0.00 0.00 0.00 34.95 32.05 1hos s ARG 41 CO 0.00 0.40 0.01 1.67 0.00 0.00 0.00 175.30 177.39 1hos s TRP 42 N -1.90 1.22 -0.04 -0.53 1.48 -1.26 -4.74 118.94 113.18 1hos s TRP 42 Ca 0.37 -1.04 0.04 0.00 -1.06 0.00 0.00 56.10 54.41 1hos s TRP 42 Cb -0.11 -0.70 -0.00 0.00 -1.16 0.00 0.00 33.47 31.50 1hos s TRP 42 CO 0.30 -0.24 -0.15 0.15 -4.06 0.00 0.00 176.95 172.94 1hos s LYS 43 N -3.93 1.56 0.28 3.25 1.02 -0.90 -4.91 119.74 116.11 1hos s LYS 43 Ca 0.25 -0.54 -0.30 0.00 0.02 0.00 0.00 55.97 55.39 1hos s LYS 43 Cb 0.06 -1.39 -0.12 0.00 -0.52 0.00 0.00 37.83 35.87 1hos s LYS 43 CO 0.05 0.23 1.63 -2.14 -0.92 0.00 0.00 175.35 174.20 1hos s PRO 44 N 0.02 4.11 0.29 -1.68 0.02 -1.26 -0.76 135.00 135.74 1hos s PRO 44 Ca -0.03 2.60 0.02 0.00 0.02 0.00 0.00 61.00 63.62 1hos s PRO 44 Cb -0.10 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 1hos s PRO 44 CO 0.01 -0.67 0.11 0.21 -0.33 0.00 0.00 177.00 176.33 1hos s LYS 45 N -0.12 1.52 -0.03 5.54 2.20 0.01 -4.91 119.74 123.95 1hos s LYS 45 Ca 0.66 -1.84 -0.01 0.00 -0.36 0.00 0.00 55.97 54.41 1hos s LYS 45 Cb -0.49 -0.31 0.02 0.00 -1.51 0.00 0.00 37.83 35.55 1hos s LYS 45 CO 0.44 -0.33 0.06 -1.64 -0.36 0.00 0.00 175.35 173.52 1hos s MET 46 N -3.95 0.04 0.14 4.03 -1.94 -1.26 -0.75 119.30 115.62 1hos s MET 46 Ca 0.36 0.16 0.10 0.00 -1.71 0.00 0.00 55.69 54.60 1hos s MET 46 Cb 0.07 -0.09 -0.04 0.00 2.01 0.00 0.00 34.83 36.78 1hos s MET 46 CO 0.15 -0.08 -0.23 0.96 -0.01 0.00 0.00 175.02 175.81 1hos s ILE 47 N 0.53 2.01 0.02 2.53 -4.36 0.12 -4.95 121.20 117.11 1hos s ILE 47 Ca -0.04 -1.78 0.04 0.00 -0.26 0.00 0.00 60.65 58.61 1hos s ILE 47 Cb -0.06 -1.85 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 1hos s ILE 47 CO -0.02 -0.09 -0.09 -0.83 0.24 0.00 0.00 174.94 174.16 1hos s GLY 48 N -2.26 1.73 0.00 6.27 0.00 -1.26 -0.01 107.32 111.77 1hos s GLY 48 Ca 0.13 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1hos s GLY 48 CO 0.06 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 172.83 1hos n GLY 49 N 1.49 5.46 3.79 0.20 0.00 -1.04 -4.98 105.19 110.10 1hos n GLY 49 Ca -0.15 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1hos n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hos s ILE 50 N 1.25 4.81 0.00 -0.61 -4.36 -1.26 -3.81 121.20 117.22 1hos s ILE 50 Ca 0.00 1.21 0.00 0.00 -0.26 0.00 0.00 60.65 61.60 1hos s ILE 50 Cb 0.00 -3.90 0.00 0.00 1.25 0.00 0.00 42.46 39.81 1hos s ILE 50 CO 0.00 0.50 0.00 0.61 0.24 0.00 0.00 174.94 176.29 1hos n GLY 51 N 2.00 2.70 0.00 6.27 0.00 -1.26 -4.97 105.19 109.93 1hos n GLY 51 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1hos n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hos n GLY 52 N 0.00 -1.19 3.39 -0.02 0.00 -1.25 -5.13 105.19 100.99 1hos n GLY 52 Ca 0.00 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 1hos n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hos s PHE 53 N -3.00 2.93 0.21 1.61 -0.71 -1.26 -2.50 117.98 115.25 1hos s PHE 53 Ca 0.00 -0.88 -0.03 0.00 -1.04 0.00 0.00 56.93 54.99 1hos s PHE 53 Cb 0.00 -4.08 -0.05 0.00 -1.21 0.00 0.00 43.02 37.68 1hos s PHE 53 CO 0.00 -1.38 0.42 0.96 -1.34 0.00 0.00 175.22 173.89 1hos s ILE 54 N 2.99 5.15 -0.10 -4.49 -4.36 0.98 -4.81 121.20 116.56 1hos s ILE 54 Ca 0.14 -0.17 -0.16 0.00 -0.26 0.00 0.00 60.65 60.20 1hos s ILE 54 Cb -0.22 -3.70 -0.05 0.00 1.25 0.00 0.00 42.46 39.73 1hos s ILE 54 CO 0.07 -0.15 0.40 -0.75 0.24 0.00 0.00 174.94 174.75 1hos s LYS 55 N -3.20 4.20 0.07 0.37 2.20 -1.26 0.16 119.74 122.28 1hos s LYS 55 Ca 0.40 0.33 0.01 0.00 -0.36 0.00 0.00 55.97 56.35 1hos s LYS 55 Cb -0.11 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1hos s LYS 55 CO 0.28 0.32 -0.05 0.14 -0.36 0.00 0.00 175.35 175.68 1hos s VAL 56 N 0.14 0.47 -0.25 4.02 -7.23 0.08 -4.66 120.40 112.96 1hos s VAL 56 Ca 0.23 -1.64 -0.18 0.00 -1.81 0.00 0.00 61.98 58.57 1hos s VAL 56 Cb -0.15 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1hos s VAL 56 CO 0.09 -0.79 0.52 -0.13 -0.31 0.00 0.00 175.10 174.48 1hos s ARG 57 N -3.22 4.10 -0.09 4.82 0.52 -0.51 -0.81 118.95 123.75 1hos s ARG 57 Ca 0.04 0.35 -0.17 0.00 -0.52 0.00 0.00 55.73 55.43 1hos s ARG 57 Cb 0.02 -3.63 -0.05 0.00 0.52 0.00 0.00 34.95 31.81 1hos s ARG 57 CO -0.05 -0.31 0.45 -1.14 0.02 0.00 0.00 175.30 174.28 1hos s GLN 58 N 2.16 4.25 -0.09 3.54 0.74 0.06 -0.53 119.66 129.80 1hos s GLN 58 Ca 0.22 0.42 0.03 0.00 0.05 0.00 0.00 55.36 56.08 1hos s GLN 58 Cb -0.16 -3.39 0.01 0.00 1.10 0.00 0.00 33.01 30.57 1hos s GLN 58 CO 0.09 0.28 -0.19 0.71 -0.55 0.00 0.00 175.29 175.63 1hos s TYR 59 N 0.24 2.10 0.26 1.67 2.02 -0.02 -2.11 117.35 121.51 1hos s TYR 59 Ca 0.25 -0.87 0.08 0.00 -0.37 0.00 0.00 57.07 56.16 1hos s TYR 59 Cb -0.15 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 1hos s TYR 59 CO 0.11 -0.39 0.14 -0.51 -1.57 0.00 0.00 175.55 173.32 1hos s ASP 60 N 0.57 5.20 -1.44 2.29 1.11 -1.26 -0.63 116.67 122.51 1hos s ASP 60 Ca -0.15 -0.39 -0.01 0.00 0.18 0.00 0.00 52.55 52.18 1hos s ASP 60 Cb -0.17 -1.21 0.00 0.00 1.07 0.00 0.00 42.92 42.62 1hos s ASP 60 CO 0.05 -0.04 0.17 0.00 1.18 0.00 0.00 175.17 176.53 1hos n GLN 61 N -1.10 -2.30 -3.46 8.23 6.02 -0.97 -4.88 117.38 118.92 1hos n GLN 61 Ca -0.07 0.82 -0.38 0.00 -0.01 0.00 0.00 57.00 57.36 1hos n GLN 61 Cb 0.58 -5.33 -0.06 0.00 1.02 0.00 0.00 30.24 26.46 1hos n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1hos s ILE 62 N -2.94 5.03 -0.03 5.09 -1.09 0.23 -4.74 121.20 122.75 1hos s ILE 62 Ca 0.08 0.88 -0.23 0.00 -2.23 0.00 0.00 60.65 59.16 1hos s ILE 62 Cb -0.04 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1hos s ILE 62 CO 0.10 0.54 0.67 -0.22 -1.23 0.00 0.00 174.94 174.81 1hos s LEU 63 N -0.82 4.37 -0.03 2.97 2.96 -1.26 -1.40 118.68 125.47 1hos s LEU 63 Ca 0.24 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.39 1hos s LEU 63 Cb -0.17 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.49 1hos s LEU 63 CO 0.13 -0.02 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.45 1hos s ILE 64 N 0.34 0.61 -0.39 6.68 1.01 -0.55 -4.41 121.20 124.48 1hos s ILE 64 Ca 0.35 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.69 1hos s ILE 64 Cb -0.18 -0.59 0.05 0.00 0.01 0.00 0.00 42.46 41.75 1hos s ILE 64 CO 0.18 0.22 0.22 -1.61 0.00 0.00 0.00 174.94 173.96 1hos s GLU 65 N 0.56 2.73 -0.22 2.79 2.02 -0.74 -1.33 118.70 124.50 1hos s GLU 65 Ca -0.08 -1.24 -0.07 0.00 0.02 0.00 0.00 54.97 53.60 1hos s GLU 65 Cb -0.11 -3.74 -0.03 0.00 0.10 0.00 0.00 34.13 30.34 1hos s GLU 65 CO 0.00 -0.81 0.06 0.42 0.02 0.00 0.00 175.26 174.96 1hos s ILE 66 N 1.50 4.40 -1.70 -1.63 1.01 0.17 -0.54 121.20 124.39 1hos s ILE 66 Ca 0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 1hos s ILE 66 Cb -0.21 -3.02 0.11 0.00 0.01 0.00 0.00 42.46 39.35 1hos s ILE 66 CO 0.05 0.38 0.31 0.00 0.00 0.00 0.00 174.94 175.68 1hos n GLY 68 N -1.84 -0.31 2.89 0.00 0.00 -1.26 -5.00 105.19 99.66 1hos n GLY 68 Ca -0.11 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1hos n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hos s HIS 69 N -3.33 0.08 0.16 1.61 4.02 0.33 -5.15 115.29 113.01 1hos s HIS 69 Ca 0.06 -0.02 -0.02 0.00 1.02 0.00 0.00 55.06 56.10 1hos s HIS 69 Cb -0.03 -0.05 -0.05 0.00 -1.02 0.00 0.00 32.58 31.44 1hos s HIS 69 CO 0.67 -0.00 0.36 0.15 1.02 0.00 0.00 174.74 176.94 1hos s LYS 70 N -0.04 3.54 -0.00 1.40 1.02 -1.26 0.43 119.74 124.83 1hos s LYS 70 Ca 0.00 -0.27 -0.26 0.00 0.02 0.00 0.00 55.97 55.45 1hos s LYS 70 Cb -0.00 -2.87 0.06 0.00 -0.52 0.00 0.00 37.83 34.50 1hos s LYS 70 CO -0.00 0.45 0.59 0.00 -0.92 0.00 0.00 175.35 175.48 1hos s ALA 71 N -1.75 -1.54 -0.03 5.17 0.00 -0.44 -4.88 121.76 118.29 1hos s ALA 71 Ca 0.39 0.96 0.05 0.00 0.00 0.00 0.00 51.96 53.36 1hos s ALA 71 Cb -0.12 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1hos s ALA 71 CO 0.27 -0.43 -0.19 0.42 0.00 0.00 0.00 175.76 175.84 1hos s ILE 72 N -1.74 1.50 0.02 0.00 1.01 -1.26 -1.48 121.20 119.25 1hos s ILE 72 Ca -0.09 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 1hos s ILE 72 Cb -0.01 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.24 1hos s ILE 72 CO 0.04 0.43 0.58 0.61 0.00 0.00 0.00 174.94 176.60 1hos n GLY 73 N 2.82 0.61 3.72 6.18 0.00 -0.49 -4.90 105.19 113.14 1hos n GLY 73 Ca -0.16 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1hos n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hos s THR 74 N -2.17 4.49 -0.06 2.61 2.01 -1.26 -0.61 115.64 120.67 1hos s THR 74 Ca 0.13 1.96 0.04 0.00 0.31 0.00 0.00 61.69 64.13 1hos s THR 74 Cb -0.01 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.25 1hos s THR 74 CO 0.01 0.25 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.32 1hos s VAL 75 N 0.37 1.46 -0.08 3.82 1.01 0.20 -4.52 120.40 122.67 1hos s VAL 75 Ca 0.50 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1hos s VAL 75 Cb -0.24 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1hos s VAL 75 CO 0.30 0.42 0.02 -0.76 0.00 0.00 0.00 175.10 175.08 1hos s LEU 76 N 0.24 3.69 -0.05 3.92 1.43 -0.40 -0.83 118.68 126.68 1hos s LEU 76 Ca -0.09 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1hos s LEU 76 Cb -0.14 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1hos s LEU 76 CO 0.04 0.36 -0.19 -0.69 0.23 0.00 0.00 176.35 176.10 1hos s VAL 77 N -0.94 1.60 -1.82 -1.59 1.01 0.31 -0.96 120.40 118.02 1hos s VAL 77 Ca 0.15 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1hos s VAL 77 Cb -0.11 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1hos s VAL 77 CO 0.04 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1hos n GLY 78 N 3.19 -1.02 1.74 4.51 0.00 -0.74 -1.43 105.19 111.44 1hos n GLY 78 Ca -0.18 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 1hos n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hos n PRO 79 N 0.00 1.25 -2.11 1.61 -0.04 -1.26 -2.55 135.00 131.90 1hos n PRO 79 Ca 0.00 -0.35 -0.29 0.00 -0.04 0.00 0.00 63.50 62.82 1hos n PRO 79 Cb 0.00 -1.40 0.03 0.00 -0.04 0.00 0.00 33.50 32.09 1hos n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hos s THR 80 N 0.58 4.05 -0.23 0.52 -1.32 -1.26 -5.01 115.64 112.96 1hos s THR 80 Ca 0.23 0.43 0.21 0.00 -1.21 0.00 0.00 61.69 61.35 1hos s THR 80 Cb 0.11 -3.63 0.02 0.00 -1.51 0.00 0.00 72.50 67.50 1hos s THR 80 CO 0.00 -0.76 1.11 1.55 -2.21 0.00 0.00 174.62 174.31 1hos h PRO 81 N -0.33 0.00 -5.18 7.08 0.13 -1.98 -3.45 132.00 128.26 1hos h PRO 81 Ca -0.45 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.28 1hos h PRO 81 Cb 1.23 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.13 1hos h PRO 81 CO 0.62 0.10 -0.78 0.14 -0.23 0.00 0.00 178.00 177.86 1hos s VAL 82 N -3.21 1.00 0.18 1.56 -7.23 -1.26 -5.06 120.40 106.38 1hos s VAL 82 Ca 0.00 -1.12 -0.20 0.00 -1.81 0.00 0.00 61.98 58.86 1hos s VAL 82 Cb 0.08 -0.95 -0.08 0.00 0.56 0.00 0.00 36.38 36.00 1hos s VAL 82 CO 0.77 -0.15 0.68 0.20 -0.31 0.00 0.00 175.10 176.29 1hos s ASN 83 N -1.43 7.07 -0.05 4.85 0.01 -1.26 -4.70 114.94 119.43 1hos s ASN 83 Ca -0.02 1.37 0.05 0.00 -0.71 0.00 0.00 52.86 53.56 1hos s ASN 83 Cb -0.09 -2.40 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 1hos s ASN 83 CO 0.02 0.11 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.87 1hos s ILE 84 N -1.39 1.77 -0.41 0.60 1.01 0.22 -1.21 121.20 121.78 1hos s ILE 84 Ca 0.39 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1hos s ILE 84 Cb -0.18 -1.50 0.09 0.00 0.01 0.00 0.00 42.46 40.88 1hos s ILE 84 CO 0.21 0.50 0.23 -0.63 0.00 0.00 0.00 174.94 175.25 1hos s ILE 85 N -0.11 3.83 0.00 2.92 -1.09 -0.67 -2.05 121.20 124.03 1hos s ILE 85 Ca -0.03 -1.66 0.00 0.00 -2.23 0.00 0.00 60.65 56.73 1hos s ILE 85 Cb -0.12 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1hos s ILE 85 CO 0.03 -0.57 0.00 0.61 -1.23 0.00 0.00 174.94 173.77 1hos n GLY 86 N 4.79 -0.10 0.17 6.18 0.00 -1.19 -1.90 105.19 113.15 1hos n GLY 86 Ca -0.08 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.25 1hos n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hos h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -1.21 -2.40 114.38 115.45 1hos h ARG 87 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1hos h ARG 87 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1hos h ARG 87 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.17 1hos n ASN 88 N -2.53 0.20 0.00 7.04 6.94 -1.16 -2.97 115.26 122.79 1hos n ASN 88 Ca 0.03 0.54 0.00 0.00 -0.02 0.00 0.00 54.58 55.13 1hos n ASN 88 Cb 0.31 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.14 1hos n ASN 88 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1hos n LEU 89 N -1.72 0.00 -0.20 -4.53 4.77 -1.10 -4.66 117.00 109.56 1hos n LEU 89 Ca 0.04 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.07 1hos n LEU 89 Cb 0.22 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.63 1hos n LEU 89 CO 0.17 0.00 1.22 -0.07 -1.33 0.00 0.00 177.39 177.39 1hos h LEU 90 N 0.00 0.72 -0.67 2.23 3.38 -1.42 0.11 115.31 119.66 1hos h LEU 90 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hos h LEU 90 Cb 0.63 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1hos h LEU 90 CO 0.00 0.48 0.00 0.71 0.09 0.00 0.00 178.44 179.72 1hos h THR 91 N 0.82 0.00 0.00 0.22 1.35 -1.81 -2.38 112.91 111.11 1hos h THR 91 Ca 0.31 -0.59 -0.17 0.00 -0.55 0.00 0.00 66.41 65.41 1hos h THR 91 Cb 0.18 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 1hos h THR 91 CO -0.10 0.00 -0.83 1.56 -0.25 0.00 0.00 175.52 175.90 1hos h GLN 92 N 0.00 0.00 -0.24 4.72 4.20 -1.06 -2.82 115.11 119.91 1hos h GLN 92 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1hos h GLN 92 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1hos h GLN 92 CO 0.00 0.81 0.00 0.44 -0.67 0.00 0.00 178.83 179.41 1hos n ILE 93 N -3.30 0.31 -0.98 2.54 -5.35 -1.06 -4.93 119.36 106.60 1hos n ILE 93 Ca 0.01 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1hos n ILE 93 Cb 0.87 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 1hos n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hos n GLY 94 N 1.21 0.55 3.62 3.28 0.00 -1.06 -5.03 105.19 107.75 1hos n GLY 94 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1hos n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hos s THR 96 N -1.02 0.10 0.13 0.00 -4.23 -1.26 -4.79 115.64 104.56 1hos s THR 96 Ca 0.58 -0.80 -0.21 0.00 -1.18 0.00 0.00 61.69 60.09 1hos s THR 96 Cb -0.67 -0.25 -0.07 0.00 1.34 0.00 0.00 72.50 72.84 1hos s THR 96 CO 0.60 -0.44 0.65 -0.22 -0.54 0.00 0.00 174.62 174.67 1hos s LEU 97 N -1.30 4.51 -0.04 4.79 2.96 -1.26 -5.06 118.68 123.27 1hos s LEU 97 Ca -0.14 1.39 -0.01 0.00 -0.22 0.00 0.00 54.13 55.14 1hos s LEU 97 Cb -0.09 -3.15 0.03 0.00 0.50 0.00 0.00 46.19 43.48 1hos s LEU 97 CO -0.01 0.21 0.03 0.20 -1.32 0.00 0.00 176.35 175.46 1hos s ASN 98 N -1.25 0.99 0.00 3.68 0.01 -1.26 -5.27 114.94 111.84 1hos s ASN 98 Ca 0.34 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 1hos s ASN 98 Cb -0.20 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.25 1hos s ASN 98 CO 0.21 -0.20 0.00 2.22 -1.51 0.00 0.00 177.10 177.83