#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a30 s GLN 2 N 0.00 3.54 -0.24 0.54 0.74 -1.26 -5.09 119.66 117.90 1a30 s GLN 2 Ca 0.00 -0.55 -0.05 0.00 0.05 0.00 0.00 55.36 54.81 1a30 s GLN 2 Cb 0.00 -3.08 -0.01 0.00 1.10 0.00 0.00 33.01 31.02 1a30 s GLN 2 CO 0.00 -0.08 0.00 0.42 -0.55 0.00 0.00 175.29 175.09 1a30 s ILE 3 N 1.22 3.72 0.66 -2.34 1.01 -1.26 -5.10 121.20 119.11 1a30 s ILE 3 Ca 0.03 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1a30 s ILE 3 Cb -0.15 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1a30 s ILE 3 CO 0.01 0.36 1.06 0.42 0.00 0.00 0.00 174.94 176.79 1a30 s THR 4 N 1.52 4.03 -0.28 2.92 -4.23 -1.26 -5.01 115.64 113.33 1a30 s THR 4 Ca 0.06 0.63 0.11 0.00 -1.18 0.00 0.00 61.69 61.30 1a30 s THR 4 Cb -0.15 -3.65 0.58 0.00 1.34 0.00 0.00 72.50 70.62 1a30 s THR 4 CO -0.01 -0.85 1.57 0.18 -0.54 0.00 0.00 174.62 174.98 1a30 n LEU 5 N -2.88 4.72 0.13 4.79 4.77 -1.26 -4.57 117.00 122.70 1a30 n LEU 5 Ca 0.06 -3.44 0.04 0.00 -0.03 0.00 0.00 56.01 52.64 1a30 n LEU 5 Cb 0.56 -0.65 0.44 0.00 -2.33 0.00 0.00 43.42 41.44 1a30 n LEU 5 CO 0.58 0.99 0.96 -0.50 -1.33 0.00 0.00 177.39 178.08 1a30 h TRP 6 N 1.52 0.23 -4.62 -1.77 4.06 -2.06 -3.44 115.95 109.87 1a30 h TRP 6 Ca 0.22 -0.01 -0.31 0.00 2.06 0.00 0.00 58.89 60.84 1a30 h TRP 6 Cb 1.86 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.81 1a30 h TRP 6 CO 0.99 0.29 -0.58 0.15 -3.56 0.00 0.00 178.44 175.73 1a30 s LYS 7 N -4.89 1.37 -0.03 0.49 1.02 -1.26 -5.11 119.74 111.32 1a30 s LYS 7 Ca -0.06 -1.75 -0.36 0.00 0.02 0.00 0.00 55.97 53.83 1a30 s LYS 7 Cb 0.16 0.25 -0.14 0.00 -0.52 0.00 0.00 37.83 37.58 1a30 s LYS 7 CO 0.72 -0.46 1.67 0.54 -0.92 0.00 0.00 175.35 176.90 1a30 n ARG 8 N -0.38 1.76 -1.77 1.68 1.74 -1.26 -4.85 116.66 113.58 1a30 n ARG 8 Ca 0.03 0.64 -0.38 0.00 -0.77 0.00 0.00 57.85 57.37 1a30 n ARG 8 Cb 0.65 -2.39 -0.04 0.00 -1.02 0.00 0.00 32.46 29.65 1a30 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1a30 n PRO 9 N 4.73 2.02 -3.32 5.56 -0.04 -1.26 -4.92 135.00 137.76 1a30 n PRO 9 Ca 0.21 -2.40 -0.38 0.00 -0.04 0.00 0.00 63.50 60.89 1a30 n PRO 9 Cb 0.24 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.30 1a30 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a30 s LEU 10 N 5.05 4.47 0.11 1.53 1.02 -1.26 -0.87 118.68 128.73 1a30 s LEU 10 Ca 0.59 1.13 0.01 0.00 0.02 0.00 0.00 54.13 55.88 1a30 s LEU 10 Cb 0.08 -2.80 -0.04 0.00 0.02 0.00 0.00 46.19 43.44 1a30 s LEU 10 CO 0.09 0.23 -0.04 0.68 0.02 0.00 0.00 176.35 177.33 1a30 s VAL 11 N -0.78 0.55 0.01 -1.59 -7.23 0.32 -4.95 120.40 106.74 1a30 s VAL 11 Ca 0.28 -1.92 -0.20 0.00 -1.81 0.00 0.00 61.98 58.33 1a30 s VAL 11 Cb -0.18 -1.77 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 1a30 s VAL 11 CO 0.16 -0.78 0.58 -0.89 -0.31 0.00 0.00 175.10 173.86 1a30 s THR 12 N -3.72 4.89 0.27 5.32 2.01 -1.26 -1.06 115.64 122.09 1a30 s THR 12 Ca 0.14 1.21 0.05 0.00 0.31 0.00 0.00 61.69 63.40 1a30 s THR 12 Cb 0.06 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1a30 s THR 12 CO -0.03 0.45 -0.01 0.27 -0.69 0.00 0.00 174.62 174.61 1a30 s ILE 13 N -0.39 1.28 -0.11 1.82 -4.36 0.58 -3.35 121.20 116.66 1a30 s ILE 13 Ca 0.30 -2.06 -0.01 0.00 -0.26 0.00 0.00 60.65 58.62 1a30 s ILE 13 Cb -0.18 -2.47 0.03 0.00 1.25 0.00 0.00 42.46 41.09 1a30 s ILE 13 CO 0.17 -0.25 -0.02 -0.75 0.24 0.00 0.00 174.94 174.32 1a30 s LYS 14 N -3.82 0.97 -0.02 0.37 2.20 -0.30 -1.05 119.74 118.09 1a30 s LYS 14 Ca 0.30 -0.15 -0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1a30 s LYS 14 Cb 0.06 -1.43 0.02 0.00 -1.51 0.00 0.00 37.83 34.96 1a30 s LYS 14 CO 0.11 -0.36 0.04 -1.50 -0.36 0.00 0.00 175.35 173.28 1a30 s ILE 15 N 1.84 -0.04 -1.72 5.43 2.07 -0.57 -1.34 121.20 126.88 1a30 s ILE 15 Ca 0.04 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1a30 s ILE 15 Cb -0.13 -0.08 0.00 0.00 0.13 0.00 0.00 42.46 42.37 1a30 s ILE 15 CO -0.07 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1a30 n GLY 16 N 3.87 -0.10 2.20 1.50 0.00 -1.26 -0.97 105.19 110.43 1a30 n GLY 16 Ca -0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1a30 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a30 n GLY 17 N -0.87 0.86 3.18 -0.02 0.00 -1.26 -5.02 105.19 102.06 1a30 n GLY 17 Ca -0.22 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 1a30 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a30 s GLN 18 N -2.75 2.06 -0.01 1.61 -0.21 -0.15 -5.12 119.66 115.08 1a30 s GLN 18 Ca 0.00 -0.71 -0.22 0.00 0.02 0.00 0.00 55.36 54.45 1a30 s GLN 18 Cb 0.00 -1.77 -0.05 0.00 1.00 0.00 0.00 33.01 32.19 1a30 s GLN 18 CO 0.00 0.29 0.64 -1.17 -2.12 0.00 0.00 175.29 172.93 1a30 s LEU 19 N -0.02 4.40 0.22 2.90 2.96 -1.26 -1.50 118.68 126.37 1a30 s LEU 19 Ca -0.04 1.20 -0.05 0.00 -0.22 0.00 0.00 54.13 55.02 1a30 s LEU 19 Cb -0.12 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.54 1a30 s LEU 19 CO 0.03 0.04 0.25 -0.54 -1.32 0.00 0.00 176.35 174.81 1a30 s LYS 20 N 0.06 1.33 -0.06 1.98 1.02 -0.22 -4.98 119.74 118.88 1a30 s LYS 20 Ca 0.33 -1.51 -0.00 0.00 0.02 0.00 0.00 55.97 54.81 1a30 s LYS 20 Cb -0.18 0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 1a30 s LYS 20 CO 0.18 -0.48 -0.02 -1.21 -0.92 0.00 0.00 175.35 172.89 1a30 s GLU 21 N -4.09 2.86 0.06 1.68 0.41 -1.26 -0.31 118.70 118.05 1a30 s GLU 21 Ca 0.33 -0.49 -0.08 0.00 -0.41 0.00 0.00 54.97 54.32 1a30 s GLU 21 Cb 0.04 -2.70 -0.00 0.00 -1.78 0.00 0.00 34.13 29.69 1a30 s GLU 21 CO 0.11 0.68 0.16 0.00 -0.49 0.00 0.00 175.26 175.72 1a30 s ALA 22 N -0.90 -0.21 -0.18 5.21 0.00 -0.22 -4.45 121.76 121.01 1a30 s ALA 22 Ca 0.14 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 1a30 s ALA 22 Cb -0.11 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1a30 s ALA 22 CO 0.03 -0.40 0.24 -1.17 0.00 0.00 0.00 175.76 174.46 1a30 s LEU 23 N -2.39 4.22 -0.57 0.00 2.96 0.06 -0.52 118.68 122.43 1a30 s LEU 23 Ca -0.01 0.38 -0.28 0.00 -0.22 0.00 0.00 54.13 54.00 1a30 s LEU 23 Cb 0.01 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1a30 s LEU 23 CO -0.07 0.11 1.36 -0.76 -1.32 0.00 0.00 176.35 175.68 1a30 s LEU 24 N 0.54 3.40 -0.51 -0.68 1.43 -0.05 -0.64 118.68 122.17 1a30 s LEU 24 Ca 0.13 0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1a30 s LEU 24 Cb -0.12 -3.06 0.13 0.00 0.03 0.00 0.00 46.19 43.17 1a30 s LEU 24 CO 0.02 -1.67 0.32 -0.62 0.23 0.00 0.00 176.35 174.64 1a30 s ASP 25 N 4.09 5.29 0.24 2.29 -1.08 -0.66 -4.80 116.67 122.04 1a30 s ASP 25 Ca 0.50 -2.39 0.22 0.00 -0.52 0.00 0.00 52.55 50.36 1a30 s ASP 25 Cb -0.10 -1.85 0.96 0.00 -1.46 0.00 0.00 42.92 40.47 1a30 s ASP 25 CO 0.25 -0.48 1.68 0.35 0.52 0.00 0.00 175.17 177.49 1a30 n THR 26 N 4.12 0.88 1.60 1.71 -2.24 -1.26 -1.93 114.28 117.15 1a30 n THR 26 Ca 0.02 0.29 0.14 0.00 -2.27 0.00 0.00 64.05 62.23 1a30 n THR 26 Cb 0.40 -1.22 0.64 0.00 -2.10 0.00 0.00 70.33 68.06 1a30 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a30 n GLY 27 N -0.16 -0.50 3.58 3.38 0.00 -1.26 -4.82 105.19 105.41 1a30 n GLY 27 Ca 0.02 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 1a30 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a30 s ALA 28 N -2.13 3.30 0.13 4.61 0.00 -0.81 -4.99 121.76 121.87 1a30 s ALA 28 Ca 0.38 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 1a30 s ALA 28 Cb 0.21 -1.90 -0.08 0.00 0.00 0.00 0.00 23.12 21.35 1a30 s ALA 28 CO 0.39 0.06 1.43 -0.44 0.00 0.00 0.00 175.76 177.19 1a30 h ASP 29 N 6.99 0.99 -0.80 0.00 3.32 -1.88 0.75 116.42 125.80 1a30 h ASP 29 Ca -0.36 -0.51 -0.57 0.00 0.02 0.00 0.00 57.03 55.60 1a30 h ASP 29 Cb 1.17 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.38 1a30 h ASP 29 CO 0.67 1.31 -0.34 -1.81 -1.72 0.00 0.00 179.24 177.35 1a30 s ASP 30 N -6.92 4.63 -0.20 6.45 1.01 -1.26 -3.15 116.67 117.23 1a30 s ASP 30 Ca -0.11 -1.18 -0.03 0.00 0.71 0.00 0.00 52.55 51.93 1a30 s ASP 30 Cb 0.10 0.19 -0.01 0.00 1.01 0.00 0.00 42.92 44.22 1a30 s ASP 30 CO 0.89 -0.97 -0.05 -0.89 0.21 0.00 0.00 175.17 174.36 1a30 s THR 31 N -2.72 3.44 -0.16 -1.27 2.01 -1.26 -2.38 115.64 113.29 1a30 s THR 31 Ca 0.35 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1a30 s THR 31 Cb -0.01 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.97 1a30 s THR 31 CO 0.21 0.44 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.72 1a30 s VAL 32 N 1.20 1.83 -0.01 3.82 1.01 -0.71 -1.15 120.40 126.39 1a30 s VAL 32 Ca 0.02 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1a30 s VAL 32 Cb -0.14 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1a30 s VAL 32 CO -0.01 0.50 -0.00 -0.63 0.00 0.00 0.00 175.10 174.96 1a30 s ILE 33 N 1.35 4.14 0.67 2.22 -1.09 0.61 -1.08 121.20 128.01 1a30 s ILE 33 Ca 0.04 -0.58 -0.17 0.00 -2.23 0.00 0.00 60.65 57.71 1a30 s ILE 33 Cb -0.13 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 1a30 s ILE 33 CO -0.11 0.40 1.25 -1.61 -1.23 0.00 0.00 174.94 173.64 1a30 s GLU 34 N -1.48 2.47 -0.36 2.79 2.02 -1.26 -1.68 118.70 121.20 1a30 s GLU 34 Ca 0.19 1.93 -0.33 0.00 0.02 0.00 0.00 54.97 56.77 1a30 s GLU 34 Cb -0.11 -1.85 -0.14 0.00 0.10 0.00 0.00 34.13 32.12 1a30 s GLU 34 CO 0.09 -1.63 1.28 -1.91 0.02 0.00 0.00 175.26 173.11 1a30 n GLU 35 N -2.14 0.00 -3.83 1.61 4.07 -1.10 -4.64 120.64 114.61 1a30 n GLU 35 Ca 0.15 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.17 1a30 n GLU 35 Cb 0.49 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 30.78 1a30 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a30 s MET 36 N 2.83 1.97 -0.12 5.31 0.23 -1.26 -5.02 119.30 123.24 1a30 s MET 36 Ca 0.79 -1.18 -0.05 0.00 -1.03 0.00 0.00 55.69 54.23 1a30 s MET 36 Cb -1.09 0.61 -0.04 0.00 -1.53 0.00 0.00 34.83 32.79 1a30 s MET 36 CO 0.56 -0.91 0.05 -1.54 -2.03 0.00 0.00 175.02 171.15 1a30 s SER 37 N -2.99 5.61 0.03 -1.18 1.04 -1.26 -5.00 113.70 109.95 1a30 s SER 37 Ca 0.13 0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.79 1a30 s SER 37 Cb -0.05 -1.76 -0.02 0.00 0.10 0.00 0.00 66.02 64.29 1a30 s SER 37 CO 0.09 0.33 -0.09 -0.76 0.98 0.00 0.00 173.24 173.78 1a30 s LEU 38 N -0.55 2.19 0.57 2.42 1.43 -1.26 -4.95 118.68 118.53 1a30 s LEU 38 Ca 0.10 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1a30 s LEU 38 Cb -0.12 -0.31 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 1a30 s LEU 38 CO 0.02 -0.09 0.97 -2.16 0.23 0.00 0.00 176.35 175.33 1a30 s PRO 39 N -1.19 3.64 0.00 1.29 0.04 -1.26 -4.97 135.00 132.55 1a30 s PRO 39 Ca -0.04 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1a30 s PRO 39 Cb -0.08 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1a30 s PRO 39 CO 0.01 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1a30 n GLY 40 N -2.46 0.55 3.88 0.56 0.00 -1.26 -4.99 105.19 101.46 1a30 n GLY 40 Ca 0.05 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 1a30 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a30 s ARG 41 N -1.05 3.69 0.05 1.61 1.04 -1.26 -5.09 118.95 117.94 1a30 s ARG 41 Ca 0.00 0.52 -0.09 0.00 -1.04 0.00 0.00 55.73 55.12 1a30 s ARG 41 Cb 0.00 -2.28 0.00 0.00 -2.04 0.00 0.00 34.95 30.63 1a30 s ARG 41 CO 0.00 -0.25 0.19 1.67 -0.04 0.00 0.00 175.30 176.88 1a30 s TRP 42 N -2.71 0.07 0.02 5.89 1.48 -1.26 -4.53 118.94 117.91 1a30 s TRP 42 Ca 0.52 -0.32 0.04 0.00 -1.06 0.00 0.00 56.10 55.27 1a30 s TRP 42 Cb -0.10 -0.04 -0.02 0.00 -1.16 0.00 0.00 33.47 32.15 1a30 s TRP 42 CO 0.41 -0.44 -0.11 -1.59 -4.06 0.00 0.00 176.95 171.15 1a30 s LYS 43 N -2.75 0.79 0.57 3.25 -2.85 -0.99 -4.90 119.74 112.86 1a30 s LYS 43 Ca -0.04 -0.59 -0.20 0.00 -1.00 0.00 0.00 55.97 54.14 1a30 s LYS 43 Cb -0.00 -0.75 -0.04 0.00 -2.06 0.00 0.00 37.83 34.98 1a30 s LYS 43 CO -0.05 0.19 1.28 -1.25 0.10 0.00 0.00 175.35 175.62 1a30 s PRO 44 N -0.85 3.05 0.06 1.78 0.04 -1.26 -1.02 135.00 136.79 1a30 s PRO 44 Ca 0.01 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 1a30 s PRO 44 Cb -0.06 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.40 1a30 s PRO 44 CO 0.01 -1.19 0.35 0.21 0.04 0.00 0.00 177.00 176.41 1a30 s LYS 45 N -3.10 0.88 -0.14 4.56 2.20 -0.56 -4.86 119.74 118.73 1a30 s LYS 45 Ca 0.74 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 1a30 s LYS 45 Cb -0.35 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.36 1a30 s LYS 45 CO 0.40 -0.30 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.24 1a30 s MET 46 N -2.77 2.90 0.03 4.03 -1.94 -1.26 -0.69 119.30 119.59 1a30 s MET 46 Ca -0.03 -0.81 0.08 0.00 -1.71 0.00 0.00 55.69 53.22 1a30 s MET 46 Cb -0.00 -2.36 -0.02 0.00 2.01 0.00 0.00 34.83 34.45 1a30 s MET 46 CO -0.05 -0.03 -0.24 0.96 -0.01 0.00 0.00 175.02 175.65 1a30 s ILE 47 N 0.87 1.91 0.24 2.53 -4.36 -0.59 -4.95 121.20 116.85 1a30 s ILE 47 Ca -0.06 -1.23 0.04 0.00 -0.26 0.00 0.00 60.65 59.14 1a30 s ILE 47 Cb -0.15 -1.63 -0.05 0.00 1.25 0.00 0.00 42.46 41.88 1a30 s ILE 47 CO -0.03 0.35 -0.01 -0.83 0.24 0.00 0.00 174.94 174.66 1a30 s GLY 48 N -1.04 1.62 0.00 6.27 0.00 -1.26 -0.96 107.32 111.94 1a30 s GLY 48 Ca 0.10 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1a30 s GLY 48 CO 0.01 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.02 1a30 n GLY 49 N -0.46 1.65 3.70 0.20 0.00 -0.30 -4.98 105.19 104.99 1a30 n GLY 49 Ca -0.05 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1a30 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a30 s ILE 50 N -0.38 2.51 0.00 -0.61 -1.09 -1.26 -1.92 121.20 118.45 1a30 s ILE 50 Ca 0.00 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1a30 s ILE 50 Cb 0.00 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1a30 s ILE 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 1a30 n GLY 51 N 4.11 0.97 0.00 6.18 0.00 -1.26 -4.93 105.19 110.26 1a30 n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1a30 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a30 n GLY 52 N -2.00 0.23 3.64 -0.02 0.00 -0.81 -5.06 105.19 101.17 1a30 n GLY 52 Ca 0.00 -2.11 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 1a30 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a30 s PHE 53 N 0.00 2.60 0.01 1.61 0.40 -1.26 -1.15 117.98 120.19 1a30 s PHE 53 Ca 0.00 -0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1a30 s PHE 53 Cb 0.00 -1.39 -0.01 0.00 0.51 0.00 0.00 43.02 42.13 1a30 s PHE 53 CO 0.00 0.51 0.03 0.96 0.70 0.00 0.00 175.22 177.43 1a30 s ILE 54 N -2.44 0.09 -0.05 0.64 -4.36 -0.14 -4.97 121.20 109.97 1a30 s ILE 54 Ca 0.34 -0.72 -0.18 0.00 -0.26 0.00 0.00 60.65 59.83 1a30 s ILE 54 Cb -0.03 -0.29 -0.05 0.00 1.25 0.00 0.00 42.46 43.34 1a30 s ILE 54 CO 0.20 -0.40 0.49 -0.75 0.24 0.00 0.00 174.94 174.72 1a30 s LYS 55 N -1.24 4.21 0.20 0.37 2.20 -1.26 -1.54 119.74 122.68 1a30 s LYS 55 Ca -0.13 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 1a30 s LYS 55 Cb -0.08 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1a30 s LYS 55 CO -0.00 0.38 0.02 0.14 -0.36 0.00 0.00 175.35 175.53 1a30 s VAL 56 N -0.14 0.69 -0.25 4.02 -7.23 0.13 -4.50 120.40 113.12 1a30 s VAL 56 Ca 0.26 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.35 1a30 s VAL 56 Cb -0.16 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1a30 s VAL 56 CO 0.13 -0.36 0.12 -0.13 -0.31 0.00 0.00 175.10 174.56 1a30 s ARG 57 N -3.93 3.84 -0.31 4.82 0.52 0.16 -1.49 118.95 122.56 1a30 s ARG 57 Ca 0.27 -0.38 -0.19 0.00 -0.52 0.00 0.00 55.73 54.92 1a30 s ARG 57 Cb 0.06 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 1a30 s ARG 57 CO 0.07 -0.11 0.54 -1.14 0.02 0.00 0.00 175.30 174.68 1a30 s GLN 58 N 1.49 3.85 -0.11 3.54 0.74 -0.19 -0.73 119.66 128.26 1a30 s GLN 58 Ca 0.06 0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.59 1a30 s GLN 58 Cb -0.15 -3.73 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 1a30 s GLN 58 CO 0.06 -0.53 -0.08 0.71 -0.55 0.00 0.00 175.29 174.91 1a30 s TYR 59 N 2.43 2.92 0.27 1.67 1.51 -0.26 -2.35 117.35 123.55 1a30 s TYR 59 Ca 0.21 -0.22 0.07 0.00 -1.01 0.00 0.00 57.07 56.12 1a30 s TYR 59 Cb -0.15 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1a30 s TYR 59 CO 0.12 0.10 0.28 -0.51 -1.11 0.00 0.00 175.55 174.42 1a30 s ASP 60 N -0.21 5.69 -1.26 2.29 1.01 -1.26 -0.34 116.67 122.59 1a30 s ASP 60 Ca 0.02 -0.23 -0.15 0.00 0.71 0.00 0.00 52.55 52.90 1a30 s ASP 60 Cb -0.13 -1.39 0.00 0.00 1.01 0.00 0.00 42.92 42.41 1a30 s ASP 60 CO 0.03 -0.15 0.61 0.00 0.21 0.00 0.00 175.17 175.86 1a30 n GLN 61 N -1.32 -1.73 -4.15 8.23 6.02 -1.10 -4.89 117.38 118.45 1a30 n GLN 61 Ca -0.06 0.35 -0.35 0.00 -0.01 0.00 0.00 57.00 56.93 1a30 n GLN 61 Cb 0.58 -3.95 -0.10 0.00 1.02 0.00 0.00 30.24 27.80 1a30 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a30 s ILE 62 N -3.69 4.62 0.06 5.09 -1.09 0.45 -4.82 121.20 121.83 1a30 s ILE 62 Ca 0.30 -0.11 -0.21 0.00 -2.23 0.00 0.00 60.65 58.40 1a30 s ILE 62 Cb -0.12 -3.03 -0.06 0.00 -1.58 0.00 0.00 42.46 37.66 1a30 s ILE 62 CO 0.90 0.53 0.61 -0.63 -1.23 0.00 0.00 174.94 175.11 1a30 s ILE 63 N -0.15 4.73 0.00 2.92 1.01 -1.26 -1.75 121.20 126.71 1a30 s ILE 63 Ca 0.06 1.30 -0.00 0.00 0.00 0.00 0.00 60.65 62.01 1a30 s ILE 63 Cb -0.12 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.40 1a30 s ILE 63 CO 0.02 0.51 0.00 -0.63 0.00 0.00 0.00 174.94 174.84 1a30 s ILE 64 N -0.86 0.03 -0.19 2.92 1.01 -0.54 -4.46 121.20 119.12 1a30 s ILE 64 Ca 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 1a30 s ILE 64 Cb -0.20 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 1a30 s ILE 64 CO 0.20 -0.15 -0.02 -0.70 0.00 0.00 0.00 174.94 174.27 1a30 s GLU 65 N -0.43 3.61 -0.27 2.79 2.12 -0.45 -1.31 118.70 124.76 1a30 s GLU 65 Ca -0.05 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.76 1a30 s GLU 65 Cb -0.03 -3.02 0.08 0.00 0.26 0.00 0.00 34.13 31.42 1a30 s GLU 65 CO -0.00 0.06 0.00 0.42 -0.54 0.00 0.00 175.26 175.21 1a30 s ILE 66 N 0.84 1.56 -1.36 -3.70 1.01 -0.10 -1.15 121.20 118.31 1a30 s ILE 66 Ca -0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 60.65 59.05 1a30 s ILE 66 Cb -0.14 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1a30 s ILE 66 CO 0.02 -0.34 1.18 0.00 0.00 0.00 0.00 174.94 175.80 1a30 n GLY 68 N -2.01 0.53 3.23 0.00 0.00 -1.26 -5.00 105.19 100.69 1a30 n GLY 68 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1a30 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a30 s HIS 69 N -2.19 3.13 0.26 1.61 4.02 -0.80 -5.10 115.29 116.22 1a30 s HIS 69 Ca 0.00 -1.47 -0.29 0.00 1.02 0.00 0.00 55.06 54.32 1a30 s HIS 69 Cb 0.00 -2.12 -0.09 0.00 -1.02 0.00 0.00 32.58 29.35 1a30 s HIS 69 CO 0.00 -0.71 0.93 0.21 1.02 0.00 0.00 174.74 176.20 1a30 s LYS 70 N 1.36 4.77 0.17 1.40 2.36 -1.26 -0.92 119.74 127.61 1a30 s LYS 70 Ca -0.00 1.43 -0.11 0.00 -2.55 0.00 0.00 55.97 54.74 1a30 s LYS 70 Cb -0.17 -3.14 0.00 0.00 -1.05 0.00 0.00 37.83 33.46 1a30 s LYS 70 CO -0.02 0.45 0.33 0.00 1.55 0.00 0.00 175.35 177.66 1a30 s ALA 71 N -1.30 -0.22 -0.00 3.13 0.00 -0.42 -4.85 121.76 118.09 1a30 s ALA 71 Ca 0.43 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1a30 s ALA 71 Cb -0.24 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.72 1a30 s ALA 71 CO 0.29 -0.67 -0.01 -1.50 0.00 0.00 0.00 175.76 173.88 1a30 s ILE 72 N -3.94 0.06 -0.10 0.00 2.07 -1.26 -1.47 121.20 116.56 1a30 s ILE 72 Ca 0.15 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1a30 s ILE 72 Cb 0.02 -0.06 0.00 0.00 0.13 0.00 0.00 42.46 42.55 1a30 s ILE 72 CO -0.01 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1a30 n GLY 73 N 3.09 -1.22 3.73 1.50 0.00 -0.71 -4.91 105.19 106.66 1a30 n GLY 73 Ca -0.13 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1a30 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a30 s THR 74 N -2.84 4.25 -0.09 2.61 2.01 -1.26 -0.41 115.64 119.90 1a30 s THR 74 Ca 0.00 1.84 0.02 0.00 0.31 0.00 0.00 61.69 63.86 1a30 s THR 74 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.35 1a30 s THR 74 CO 0.00 0.27 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.36 1a30 s VAL 75 N 0.09 1.43 -0.18 3.82 1.01 0.54 -4.49 120.40 122.64 1a30 s VAL 75 Ca 0.49 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 1a30 s VAL 75 Cb -0.26 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1a30 s VAL 75 CO 0.31 0.42 0.16 -0.76 0.00 0.00 0.00 175.10 175.24 1a30 s LEU 76 N 0.79 4.25 -0.15 3.92 1.43 -0.30 -1.10 118.68 127.53 1a30 s LEU 76 Ca -0.11 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1a30 s LEU 76 Cb -0.16 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 1a30 s LEU 76 CO 0.02 0.21 -0.10 -0.69 0.23 0.00 0.00 176.35 176.02 1a30 s VAL 77 N 0.09 3.19 -0.02 -1.59 1.01 0.09 -0.29 120.40 122.89 1a30 s VAL 77 Ca 0.11 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1a30 s VAL 77 Cb -0.12 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.92 1a30 s VAL 77 CO 0.00 0.50 0.39 0.61 0.00 0.00 0.00 175.10 176.60 1a30 n GLY 78 N 3.80 0.43 2.29 4.51 0.00 -0.67 -0.67 105.19 114.88 1a30 n GLY 78 Ca -0.18 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 44.89 1a30 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a30 n PRO 79 N -0.28 1.02 -2.88 1.61 -0.04 -1.26 -2.71 135.00 130.46 1a30 n PRO 79 Ca 0.02 -0.54 -0.39 0.00 -0.04 0.00 0.00 63.50 62.55 1a30 n PRO 79 Cb 0.17 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 31.78 1a30 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1a30 s THR 80 N 2.18 4.26 0.42 0.52 -1.32 -1.26 -4.96 115.64 115.48 1a30 s THR 80 Ca 0.32 1.81 0.17 0.00 -1.21 0.00 0.00 61.69 62.78 1a30 s THR 80 Cb 0.15 -4.14 0.19 0.00 -1.51 0.00 0.00 72.50 67.18 1a30 s THR 80 CO -0.00 0.40 1.98 -0.65 -2.21 0.00 0.00 174.62 174.13 1a30 h PRO 81 N 3.91 0.00 -3.28 7.08 0.11 -1.98 -3.44 132.00 134.41 1a30 h PRO 81 Ca -0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1a30 h PRO 81 Cb 1.20 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.11 1a30 h PRO 81 CO 0.66 0.21 -0.38 0.54 -0.21 0.00 0.00 178.00 178.82 1a30 s VAL 82 N -4.44 0.07 0.09 3.15 0.11 -1.26 -5.10 120.40 113.02 1a30 s VAL 82 Ca -0.03 -0.58 -0.31 0.00 -2.93 0.00 0.00 61.98 58.12 1a30 s VAL 82 Cb 0.15 -0.52 -0.07 0.00 -1.53 0.00 0.00 36.38 34.41 1a30 s VAL 82 CO 0.68 -0.32 1.32 0.20 -3.33 0.00 0.00 175.10 173.65 1a30 s ASN 83 N -1.35 6.91 -0.03 3.54 0.01 -1.26 -4.77 114.94 117.99 1a30 s ASN 83 Ca -0.14 2.21 0.04 0.00 -0.71 0.00 0.00 52.86 54.26 1a30 s ASN 83 Cb -0.06 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.01 1a30 s ASN 83 CO 0.03 -0.59 -0.15 0.27 -1.51 0.00 0.00 177.10 175.15 1a30 s ILE 84 N 1.12 1.23 -0.37 0.60 -4.36 -0.24 -0.76 121.20 118.41 1a30 s ILE 84 Ca 0.62 -0.62 -0.13 0.00 -0.26 0.00 0.00 60.65 60.27 1a30 s ILE 84 Cb -0.34 -1.06 0.01 0.00 1.25 0.00 0.00 42.46 42.32 1a30 s ILE 84 CO 0.30 0.36 0.25 -0.63 0.24 0.00 0.00 174.94 175.46 1a30 s ILE 85 N 0.00 5.10 0.68 8.37 -1.09 0.18 -1.73 121.20 132.72 1a30 s ILE 85 Ca -0.02 -0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 57.85 1a30 s ILE 85 Cb -0.10 -3.75 0.14 0.00 -1.58 0.00 0.00 42.46 37.17 1a30 s ILE 85 CO 0.01 -0.17 0.94 0.61 -1.23 0.00 0.00 174.94 175.10 1a30 n GLY 86 N 5.10 0.30 0.33 6.18 0.00 -1.00 -1.65 105.19 114.45 1a30 n GLY 86 Ca -0.12 -1.97 0.17 0.00 0.00 0.00 0.00 46.02 44.10 1a30 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a30 h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.94 -1.04 114.38 117.09 1a30 h ARG 87 Ca -0.31 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1a30 h ARG 87 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1a30 h ARG 87 CO 0.31 0.00 -0.11 -2.95 -1.07 0.00 0.00 179.97 176.14 1a30 h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.80 -2.59 115.58 117.16 1a30 h ASN 88 Ca 0.09 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.30 1a30 h ASN 88 Cb 0.48 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.70 1a30 h ASN 88 CO -0.00 0.11 -1.64 0.18 0.07 0.00 0.00 177.43 176.15 1a30 n LEU 89 N -3.57 0.00 -0.37 6.14 4.77 -0.83 -4.47 117.00 118.68 1a30 n LEU 89 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1a30 n LEU 89 Cb 0.25 0.21 0.15 0.00 -2.33 0.00 0.00 43.42 41.70 1a30 n LEU 89 CO 0.30 0.21 1.28 -0.07 -1.33 0.00 0.00 177.39 177.78 1a30 h LEU 90 N 0.00 1.09 -0.58 2.23 4.07 -1.16 -1.94 115.31 119.02 1a30 h LEU 90 Ca -0.23 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.66 1a30 h LEU 90 Cb 1.48 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.95 1a30 h LEU 90 CO 0.01 0.74 0.14 0.71 -1.08 0.00 0.00 178.44 178.96 1a30 h THR 91 N 1.25 1.25 -0.41 0.22 1.35 -1.71 -1.78 112.91 113.08 1a30 h THR 91 Ca 0.40 -0.90 0.03 0.00 -0.55 0.00 0.00 66.41 65.40 1a30 h THR 91 Cb 0.02 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 67.15 1a30 h THR 91 CO -0.13 0.33 0.28 1.56 -0.25 0.00 0.00 175.52 177.31 1a30 h GLN 92 N 0.83 0.44 -0.01 4.72 1.08 -1.58 -0.71 115.11 119.88 1a30 h GLN 92 Ca 0.18 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1a30 h GLN 92 Cb 0.35 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1a30 h GLN 92 CO 0.00 0.29 -0.05 0.44 -0.95 0.00 0.00 178.83 178.56 1a30 n ILE 93 N -4.48 0.00 -1.49 2.54 -5.35 -1.10 -4.92 119.36 104.56 1a30 n ILE 93 Ca 0.04 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1a30 n ILE 93 Cb 0.15 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 1a30 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a30 n GLY 94 N 1.18 0.51 3.72 3.28 0.00 -0.27 -5.04 105.19 108.57 1a30 n GLY 94 Ca 0.18 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1a30 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a30 s THR 96 N 0.48 0.52 -0.15 0.00 -4.23 -1.26 -4.60 115.64 106.39 1a30 s THR 96 Ca 0.47 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.92 1a30 s THR 96 Cb -0.21 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1a30 s THR 96 CO 0.27 -0.12 0.06 -0.76 -0.54 0.00 0.00 174.62 173.53 1a30 s LEU 97 N -3.26 3.85 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.12 1a30 s LEU 97 Ca 0.34 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 1a30 s LEU 97 Cb 0.07 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 1a30 s LEU 97 CO 0.11 0.26 -0.06 0.20 0.23 0.00 0.00 176.35 177.09 1a30 s ASN 98 N -0.13 0.73 0.00 2.29 0.01 -1.26 -5.30 114.94 111.29 1a30 s ASN 98 Ca 0.07 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 1a30 s ASN 98 Cb -0.12 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.42 1a30 s ASN 98 CO 0.01 0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.88