#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avs s GLN 2 N 0.00 4.04 -0.20 0.54 0.74 -1.26 -5.09 119.66 118.42 2avs s GLN 2 Ca 0.00 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.12 2avs s GLN 2 Cb 0.00 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.66 2avs s GLN 2 CO 0.00 0.09 -0.16 0.42 -0.55 0.00 0.00 175.29 175.09 2avs s ILE 3 N 0.95 2.28 0.83 -2.34 1.01 -1.26 -5.12 121.20 117.55 2avs s ILE 3 Ca 0.07 -1.00 -0.10 0.00 0.00 0.00 0.00 60.65 59.61 2avs s ILE 3 Cb -0.13 -2.04 0.13 0.00 0.01 0.00 0.00 42.46 40.43 2avs s ILE 3 CO 0.03 0.41 1.16 0.42 0.00 0.00 0.00 174.94 176.97 2avs s THR 4 N 1.28 2.09 -0.11 2.92 -4.23 -1.26 -5.03 115.64 111.30 2avs s THR 4 Ca 0.03 -0.17 0.15 0.00 -1.18 0.00 0.00 61.69 60.52 2avs s THR 4 Cb -0.14 -2.92 0.25 0.00 1.34 0.00 0.00 72.50 71.02 2avs s THR 4 CO -0.10 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.29 2avs n LEU 5 N -3.31 1.94 0.23 4.79 4.77 -1.26 -4.65 117.00 119.50 2avs n LEU 5 Ca 0.12 -2.77 0.09 0.00 -0.03 0.00 0.00 56.01 53.42 2avs n LEU 5 Cb 0.60 -0.35 0.58 0.00 -2.33 0.00 0.00 43.42 41.92 2avs n LEU 5 CO 0.49 0.68 0.89 -0.50 -1.33 0.00 0.00 177.39 177.62 2avs h TRP 6 N 0.11 0.00 -2.40 -1.77 4.06 -2.07 -3.43 115.95 110.45 2avs h TRP 6 Ca -0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 2avs h TRP 6 Cb 1.09 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.11 2avs h TRP 6 CO 0.09 0.20 -0.67 -1.59 -3.56 0.00 0.00 178.44 172.91 2avs s LYS 7 N -4.22 1.65 0.30 0.49 -2.85 -1.26 -5.11 119.74 108.74 2avs s LYS 7 Ca -0.03 -1.85 -0.30 0.00 -1.00 0.00 0.00 55.97 52.80 2avs s LYS 7 Cb 0.14 -1.33 -0.12 0.00 -2.06 0.00 0.00 37.83 34.45 2avs s LYS 7 CO 0.64 0.06 1.48 0.54 0.10 0.00 0.00 175.35 178.17 2avs n ARG 8 N -0.67 2.41 -2.25 1.78 1.74 -1.26 -4.85 116.66 113.57 2avs n ARG 8 Ca -0.05 0.86 -0.43 0.00 -0.77 0.00 0.00 57.85 57.46 2avs n ARG 8 Cb 0.64 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 2avs n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2avs n PRO 9 N 1.62 3.07 -3.38 5.56 -0.04 -1.26 -4.93 135.00 135.64 2avs n PRO 9 Ca 0.08 -3.03 -0.38 0.00 -0.04 0.00 0.00 63.50 60.13 2avs n PRO 9 Cb 0.35 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.35 2avs n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2avs s LEU 10 N 3.33 4.44 0.20 1.53 1.43 -1.26 -1.06 118.68 127.29 2avs s LEU 10 Ca 0.51 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 2avs s LEU 10 Cb 0.08 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 2avs s LEU 10 CO 0.01 0.22 0.05 0.68 0.23 0.00 0.00 176.35 177.54 2avs s VAL 11 N -0.62 0.53 -0.00 -1.59 -7.23 0.03 -4.95 120.40 106.57 2avs s VAL 11 Ca 0.26 -1.98 -0.19 0.00 -1.81 0.00 0.00 61.98 58.26 2avs s VAL 11 Cb -0.17 -2.30 -0.06 0.00 0.56 0.00 0.00 36.38 34.41 2avs s VAL 11 CO 0.14 -0.29 0.56 -0.89 -0.31 0.00 0.00 175.10 174.31 2avs s THR 12 N -3.77 4.92 0.29 5.32 2.01 -1.26 -0.80 115.64 122.35 2avs s THR 12 Ca 0.29 1.17 0.11 0.00 0.31 0.00 0.00 61.69 63.57 2avs s THR 12 Cb 0.07 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 2avs s THR 12 CO 0.07 0.45 -0.09 0.27 -0.69 0.00 0.00 174.62 174.63 2avs s ILE 13 N -0.37 2.86 -0.13 1.82 -4.36 0.43 -1.45 121.20 120.00 2avs s ILE 13 Ca 0.29 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 2avs s ILE 13 Cb -0.18 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 40.96 2avs s ILE 13 CO 0.16 -0.35 -0.16 -0.75 0.24 0.00 0.00 174.94 174.08 2avs s LYS 14 N -3.61 2.38 -0.03 0.37 2.20 -0.05 -1.21 119.74 119.79 2avs s LYS 14 Ca 0.31 -0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 55.31 2avs s LYS 14 Cb -0.05 -2.08 0.03 0.00 -1.51 0.00 0.00 37.83 34.23 2avs s LYS 14 CO 0.18 -0.14 0.07 -1.50 -0.36 0.00 0.00 175.35 173.59 2avs s ILE 15 N 1.20 -0.06 -2.16 5.43 2.07 -0.22 -1.47 121.20 125.99 2avs s ILE 15 Ca -0.01 0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 2avs s ILE 15 Cb -0.14 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.32 2avs s ILE 15 CO -0.06 0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 2avs n GLY 16 N 4.22 1.76 1.96 1.50 0.00 -1.26 -1.25 105.19 112.11 2avs n GLY 16 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2avs n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avs n GLY 17 N -0.44 0.82 3.58 -0.02 0.00 -1.26 -4.98 105.19 102.89 2avs n GLY 17 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 2avs n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2avs s GLN 18 N -0.33 2.61 0.15 1.61 0.74 -0.38 -5.08 119.66 118.98 2avs s GLN 18 Ca 0.00 -0.66 -0.25 0.00 0.05 0.00 0.00 55.36 54.50 2avs s GLN 18 Cb 0.00 -2.52 -0.08 0.00 1.10 0.00 0.00 33.01 31.51 2avs s GLN 18 CO 0.00 0.63 0.78 -0.51 -0.55 0.00 0.00 175.29 175.64 2avs s LEU 19 N -1.12 4.57 0.10 3.68 1.43 -1.26 -1.06 118.68 125.02 2avs s LEU 19 Ca 0.15 1.63 -0.05 0.00 -1.03 0.00 0.00 54.13 54.83 2avs s LEU 19 Cb -0.11 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 2avs s LEU 19 CO 0.04 0.17 0.11 -0.54 0.23 0.00 0.00 176.35 176.37 2avs s LYS 20 N -0.96 0.85 -0.11 1.70 1.02 -0.35 -4.99 119.74 116.91 2avs s LYS 20 Ca 0.36 -1.19 -0.10 0.00 0.02 0.00 0.00 55.97 55.07 2avs s LYS 20 Cb -0.23 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2avs s LYS 20 CO 0.26 -0.25 0.21 -2.00 -0.92 0.00 0.00 175.35 172.65 2avs s GLU 21 N -3.94 3.69 0.05 1.68 2.12 -1.26 -0.43 118.70 120.61 2avs s GLU 21 Ca 0.12 -0.01 -0.06 0.00 0.36 0.00 0.00 54.97 55.39 2avs s GLU 21 Cb 0.06 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 2avs s GLU 21 CO -0.06 0.66 0.10 0.00 -0.54 0.00 0.00 175.26 175.43 2avs s ALA 22 N -0.76 -0.03 -0.22 6.30 0.00 0.02 -4.49 121.76 122.59 2avs s ALA 22 Ca 0.16 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 2avs s ALA 22 Cb -0.13 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2avs s ALA 22 CO 0.05 -0.37 0.31 -1.17 0.00 0.00 0.00 175.76 174.58 2avs s LEU 23 N -2.42 4.14 -0.38 0.00 2.96 0.21 -0.79 118.68 122.39 2avs s LEU 23 Ca -0.01 0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 2avs s LEU 23 Cb 0.02 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.37 2avs s LEU 23 CO -0.07 -0.03 1.15 -0.76 -1.32 0.00 0.00 176.35 175.32 2avs s LEU 24 N 1.23 3.79 -0.39 -0.68 1.43 -0.22 -0.71 118.68 123.14 2avs s LEU 24 Ca 0.15 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2avs s LEU 24 Cb -0.14 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.65 2avs s LEU 24 CO 0.07 -1.08 0.16 -0.62 0.23 0.00 0.00 176.35 175.11 2avs s ASP 25 N 2.23 4.07 0.50 2.29 -1.08 -0.19 -4.77 116.67 119.72 2avs s ASP 25 Ca 0.49 -2.29 0.33 0.00 -0.52 0.00 0.00 52.55 50.55 2avs s ASP 25 Cb -0.11 -1.18 1.40 0.00 -1.46 0.00 0.00 42.92 41.57 2avs s ASP 25 CO 0.23 -0.33 1.97 0.71 0.52 0.00 0.00 175.17 178.27 2avs h THR 26 N 5.91 0.00 -0.00 1.71 1.35 -1.93 -2.28 112.91 117.67 2avs h THR 26 Ca -0.06 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2avs h THR 26 Cb 0.97 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2avs h THR 26 CO 0.51 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 176.33 2avs n GLY 27 N -0.12 -0.94 3.67 5.82 0.00 -1.26 -4.81 105.19 107.56 2avs n GLY 27 Ca 0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2avs n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avs s ALA 28 N -2.38 3.60 0.22 4.61 0.00 -0.86 -4.97 121.76 121.98 2avs s ALA 28 Ca 0.33 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 2avs s ALA 28 Cb 0.20 -2.41 0.21 0.00 0.00 0.00 0.00 23.12 21.12 2avs s ALA 28 CO 0.45 -0.18 1.63 -0.44 0.00 0.00 0.00 175.76 177.21 2avs h ASP 29 N 7.35 0.73 -1.81 0.00 3.32 -1.87 0.83 116.42 124.98 2avs h ASP 29 Ca -0.38 -0.27 -0.60 0.00 0.02 0.00 0.00 57.03 55.80 2avs h ASP 29 Cb 1.17 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 2avs h ASP 29 CO 0.69 0.96 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.78 2avs s ASP 30 N -6.77 3.53 -0.18 6.45 1.01 -1.26 -2.47 116.67 116.97 2avs s ASP 30 Ca -0.09 -1.47 -0.05 0.00 0.71 0.00 0.00 52.55 51.66 2avs s ASP 30 Cb 0.13 -0.03 -0.03 0.00 1.01 0.00 0.00 42.92 44.01 2avs s ASP 30 CO 0.83 -0.63 -0.01 -0.89 0.21 0.00 0.00 175.17 174.69 2avs s THR 31 N -2.92 4.00 -0.05 -1.27 2.01 -1.26 -3.02 115.64 113.12 2avs s THR 31 Ca 0.27 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2avs s THR 31 Cb 0.07 -2.79 0.02 0.00 0.01 0.00 0.00 72.50 69.82 2avs s THR 31 CO 0.13 0.45 -0.02 0.54 -0.69 0.00 0.00 174.62 175.04 2avs s VAL 32 N 0.72 0.43 0.03 3.82 0.11 -0.46 -0.76 120.40 124.29 2avs s VAL 32 Ca -0.00 -0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.08 2avs s VAL 32 Cb -0.14 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 2avs s VAL 32 CO 0.02 0.22 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.26 2avs s ILE 33 N 1.24 3.22 0.88 7.04 -1.09 0.34 -0.82 121.20 132.00 2avs s ILE 33 Ca -0.06 -1.00 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 2avs s ILE 33 Cb -0.14 -2.39 0.06 0.00 -1.58 0.00 0.00 42.46 38.42 2avs s ILE 33 CO -0.02 0.35 0.79 -0.62 -1.23 0.00 0.00 174.94 174.21 2avs n GLU 34 N 1.49 -0.14 -1.62 2.79 1.02 -1.25 -1.08 120.64 121.86 2avs n GLU 34 Ca -0.16 0.02 -0.49 0.00 -0.02 0.00 0.00 57.16 56.51 2avs n GLU 34 Cb 0.52 -2.11 -0.05 0.00 -0.02 0.00 0.00 31.44 29.78 2avs n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2avs n GLU 35 N -2.54 1.50 -3.55 3.49 1.02 -1.16 -4.50 120.64 114.89 2avs n GLU 35 Ca 0.10 0.54 -0.09 0.00 -0.02 0.00 0.00 57.16 57.68 2avs n GLU 35 Cb 0.52 -2.18 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 2avs n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2avs s MET 36 N 0.27 1.27 -0.13 3.49 0.23 -1.26 -5.01 119.30 118.16 2avs s MET 36 Ca 0.78 -0.55 -0.25 0.00 -1.03 0.00 0.00 55.69 54.65 2avs s MET 36 Cb -0.83 0.53 -0.02 0.00 -1.53 0.00 0.00 34.83 32.98 2avs s MET 36 CO 0.46 -0.56 0.79 -1.12 -2.03 0.00 0.00 175.02 172.56 2avs s SER 37 N -2.74 6.98 -0.04 -1.18 0.01 -1.26 -5.05 113.70 110.42 2avs s SER 37 Ca 0.05 1.20 0.01 0.00 1.31 0.00 0.00 55.95 58.52 2avs s SER 37 Cb -0.02 -2.44 0.02 0.00 0.21 0.00 0.00 66.02 63.79 2avs s SER 37 CO -0.07 -0.29 -0.04 -0.22 0.41 0.00 0.00 173.24 173.02 2avs s LEU 38 N 1.64 1.34 -0.03 2.44 2.96 -1.26 -4.99 118.68 120.77 2avs s LEU 38 Ca 0.39 -0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.87 2avs s LEU 38 Cb -0.17 -0.44 -0.05 0.00 0.50 0.00 0.00 46.19 46.04 2avs s LEU 38 CO 0.15 -0.05 1.35 -2.84 -1.32 0.00 0.00 176.35 173.64 2avs s PRO 39 N 0.90 4.29 0.00 0.98 0.02 -1.26 -4.90 135.00 135.02 2avs s PRO 39 Ca -0.11 1.88 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2avs s PRO 39 Cb -0.14 -3.62 0.00 0.00 0.02 0.00 0.00 34.50 30.76 2avs s PRO 39 CO 0.00 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 2avs n GLY 40 N 3.60 4.23 3.73 0.52 0.00 -1.26 -5.02 105.19 110.99 2avs n GLY 40 Ca 0.13 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 2avs n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2avs s ARG 41 N -2.89 2.21 0.15 1.61 0.52 -1.26 -5.05 118.95 114.24 2avs s ARG 41 Ca 0.00 1.70 -0.08 0.00 -0.52 0.00 0.00 55.73 56.83 2avs s ARG 41 Cb 0.00 -1.85 -0.01 0.00 0.52 0.00 0.00 34.95 33.61 2avs s ARG 41 CO 0.00 -1.77 0.24 1.67 0.02 0.00 0.00 175.30 175.47 2avs s TRP 42 N -2.05 0.41 0.06 -0.53 1.48 -1.26 -4.45 118.94 112.60 2avs s TRP 42 Ca 0.73 -0.79 0.02 0.00 -1.06 0.00 0.00 56.10 55.00 2avs s TRP 42 Cb -0.28 -0.11 -0.03 0.00 -1.16 0.00 0.00 33.47 31.90 2avs s TRP 42 CO 0.45 -0.67 -0.08 -1.59 -4.06 0.00 0.00 176.95 171.00 2avs s LYS 43 N -3.96 0.63 0.52 3.25 -2.85 -0.59 -4.91 119.74 111.83 2avs s LYS 43 Ca 0.16 -0.92 -0.22 0.00 -1.00 0.00 0.00 55.97 53.99 2avs s LYS 43 Cb 0.04 -0.32 -0.06 0.00 -2.06 0.00 0.00 37.83 35.44 2avs s LYS 43 CO -0.02 0.04 1.29 -2.14 0.10 0.00 0.00 175.35 174.63 2avs s PRO 44 N -2.17 3.33 0.09 1.78 0.02 -1.26 -0.43 135.00 136.35 2avs s PRO 44 Ca -0.04 2.07 -0.14 0.00 0.02 0.00 0.00 61.00 62.92 2avs s PRO 44 Cb -0.06 -2.29 0.02 0.00 0.02 0.00 0.00 34.50 32.19 2avs s PRO 44 CO -0.01 -0.99 0.33 0.21 -0.33 0.00 0.00 177.00 176.22 2avs s LYS 45 N -2.86 0.94 -0.00 5.54 2.20 -0.55 -4.80 119.74 120.21 2avs s LYS 45 Ca 0.69 -0.69 0.07 0.00 -0.36 0.00 0.00 55.97 55.68 2avs s LYS 45 Cb -0.36 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 36.35 2avs s LYS 45 CO 0.43 -0.34 -0.21 1.41 -0.36 0.00 0.00 175.35 176.28 2avs s MET 46 N -3.40 1.63 0.11 4.03 -2.45 -1.26 -0.77 119.30 117.20 2avs s MET 46 Ca 0.01 -0.80 0.06 0.00 -1.25 0.00 0.00 55.69 53.71 2avs s MET 46 Cb 0.02 -1.62 -0.04 0.00 1.25 0.00 0.00 34.83 34.44 2avs s MET 46 CO -0.09 0.44 -0.14 0.96 1.05 0.00 0.00 175.02 177.24 2avs s ILE 47 N -0.56 1.30 0.03 10.11 -4.36 -0.64 -4.98 121.20 122.10 2avs s ILE 47 Ca 0.08 -1.66 0.06 0.00 -0.26 0.00 0.00 60.65 58.87 2avs s ILE 47 Cb -0.08 -1.47 -0.02 0.00 1.25 0.00 0.00 42.46 42.13 2avs s ILE 47 CO -0.00 -0.39 -0.18 -0.83 0.24 0.00 0.00 174.94 173.78 2avs s GLY 48 N -2.36 0.97 0.00 6.27 0.00 -1.26 -0.90 107.32 110.03 2avs s GLY 48 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2avs s GLY 48 CO 0.03 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.87 2avs n GLY 49 N 1.98 5.17 3.75 0.20 0.00 -0.37 -4.98 105.19 110.94 2avs n GLY 49 Ca -0.17 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 2avs n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2avs s VAL 50 N 0.24 2.51 0.00 1.61 1.01 -1.26 -2.19 120.40 122.32 2avs s VAL 50 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2avs s VAL 50 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2avs s VAL 50 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2avs n GLY 51 N 2.25 1.99 0.00 4.51 0.00 -1.26 -4.94 105.19 107.74 2avs n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2avs n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2avs n GLY 52 N -2.00 0.72 3.74 -0.02 0.00 -0.93 -5.09 105.19 101.61 2avs n GLY 52 Ca 0.00 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 2avs n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2avs s PHE 53 N -1.32 3.12 0.08 1.61 0.40 -1.26 -1.23 117.98 119.38 2avs s PHE 53 Ca 0.00 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.44 2avs s PHE 53 Cb 0.00 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 2avs s PHE 53 CO 0.00 0.50 -0.16 0.96 0.70 0.00 0.00 175.22 177.23 2avs s ILE 54 N -1.33 1.26 0.03 0.64 -4.36 -0.08 -4.98 121.20 112.38 2avs s ILE 54 Ca 0.27 -1.34 -0.24 0.00 -0.26 0.00 0.00 60.65 59.08 2avs s ILE 54 Cb -0.12 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 2avs s ILE 54 CO 0.19 -0.17 0.73 -0.54 0.24 0.00 0.00 174.94 175.40 2avs s LYS 55 N -1.74 4.46 0.18 0.37 1.02 -1.26 -1.61 119.74 121.16 2avs s LYS 55 Ca 0.00 1.00 0.01 0.00 0.02 0.00 0.00 55.97 57.01 2avs s LYS 55 Cb -0.10 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 2avs s LYS 55 CO 0.03 0.28 0.03 0.14 -0.92 0.00 0.00 175.35 174.91 2avs s VAL 56 N -0.02 0.56 -0.26 3.17 -7.23 0.05 -4.37 120.40 112.30 2avs s VAL 56 Ca 0.37 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 2avs s VAL 56 Cb -0.20 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 2avs s VAL 56 CO 0.22 -0.38 0.23 -0.13 -0.31 0.00 0.00 175.10 174.73 2avs s ARG 57 N -3.96 4.02 -0.33 4.82 0.52 0.28 -1.48 118.95 122.82 2avs s ARG 57 Ca 0.27 -0.19 -0.16 0.00 -0.52 0.00 0.00 55.73 55.13 2avs s ARG 57 Cb 0.07 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 2avs s ARG 57 CO 0.05 -0.11 0.42 -1.14 0.02 0.00 0.00 175.30 174.54 2avs s GLN 58 N 1.55 3.70 -0.23 3.54 0.74 0.43 -0.60 119.66 128.79 2avs s GLN 58 Ca 0.10 -0.21 -0.06 0.00 0.05 0.00 0.00 55.36 55.24 2avs s GLN 58 Cb -0.15 -3.77 -0.02 0.00 1.10 0.00 0.00 33.01 30.17 2avs s GLN 58 CO 0.08 -0.50 0.03 0.71 -0.55 0.00 0.00 175.29 175.06 2avs s TYR 59 N 2.16 3.06 0.24 1.67 1.51 -0.33 -1.55 117.35 124.11 2avs s TYR 59 Ca 0.15 -0.49 -0.07 0.00 -1.01 0.00 0.00 57.07 55.64 2avs s TYR 59 Cb -0.16 -2.17 -0.06 0.00 -0.11 0.00 0.00 41.96 39.46 2avs s TYR 59 CO 0.12 -0.33 0.53 -0.51 -1.11 0.00 0.00 175.55 174.24 2avs s ASP 60 N 1.38 6.55 -1.29 2.29 1.01 -1.26 -0.85 116.67 124.49 2avs s ASP 60 Ca 0.05 0.81 -0.03 0.00 0.71 0.00 0.00 52.55 54.09 2avs s ASP 60 Cb -0.15 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.61 2avs s ASP 60 CO 0.02 -0.10 0.96 1.67 0.21 0.00 0.00 175.17 177.93 2avs n GLN 61 N -0.37 -6.39 -3.50 8.23 7.27 -1.10 -4.90 117.38 116.62 2avs n GLN 61 Ca -0.01 0.77 -0.37 0.00 0.07 0.00 0.00 57.00 57.46 2avs n GLN 61 Cb 0.53 -5.67 -0.07 0.00 2.41 0.00 0.00 30.24 27.44 2avs n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2avs s ILE 62 N -3.42 5.26 -0.03 1.69 -1.09 -0.06 -4.69 121.20 118.86 2avs s ILE 62 Ca 0.18 0.64 -0.30 0.00 -2.23 0.00 0.00 60.65 58.94 2avs s ILE 62 Cb -0.08 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 2avs s ILE 62 CO 0.76 0.40 1.13 -0.63 -1.23 0.00 0.00 174.94 175.38 2avs s ILE 63 N 0.29 4.39 -0.06 2.92 1.01 -1.26 -1.34 121.20 127.15 2avs s ILE 63 Ca 0.19 1.71 -0.05 0.00 0.00 0.00 0.00 60.65 62.50 2avs s ILE 63 Cb -0.14 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.26 2avs s ILE 63 CO 0.06 0.05 0.16 -0.51 0.00 0.00 0.00 174.94 174.70 2avs s ILE 64 N 1.77 -0.01 -0.18 2.92 2.07 -0.28 -4.35 121.20 123.15 2avs s ILE 64 Ca 0.54 0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.76 2avs s ILE 64 Cb -0.24 -0.24 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 2avs s ILE 64 CO 0.24 0.01 0.01 -0.70 -1.91 0.00 0.00 174.94 172.58 2avs s GLU 65 N 0.29 3.73 -0.26 3.50 2.12 -0.54 -1.07 118.70 126.46 2avs s GLU 65 Ca -0.02 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.87 2avs s GLU 65 Cb -0.03 -3.07 0.06 0.00 0.26 0.00 0.00 34.13 31.36 2avs s GLU 65 CO -0.01 0.15 -0.08 0.42 -0.54 0.00 0.00 175.26 175.19 2avs s ILE 66 N 0.65 2.04 -1.61 -3.70 1.01 0.46 -0.87 121.20 119.18 2avs s ILE 66 Ca 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 60.65 58.89 2avs s ILE 66 Cb -0.14 -2.21 0.12 0.00 0.01 0.00 0.00 42.46 40.24 2avs s ILE 66 CO 0.02 -0.09 0.84 0.00 0.00 0.00 0.00 174.94 175.70 2avs n ALA 67 N 4.47 -1.33 -0.78 9.38 0.00 -0.53 -0.89 120.51 130.82 2avs n ALA 67 Ca -0.12 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2avs n ALA 67 Cb 0.42 -3.71 0.00 0.00 0.00 0.00 0.00 19.45 16.17 2avs n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2avs n GLY 68 N -1.55 0.82 3.59 0.00 0.00 -1.26 -5.03 105.19 101.75 2avs n GLY 68 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2avs n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2avs s HIS 69 N -3.15 3.07 0.13 1.61 4.02 -0.07 -5.09 115.29 115.80 2avs s HIS 69 Ca 0.00 -0.04 -0.26 0.00 1.02 0.00 0.00 55.06 55.78 2avs s HIS 69 Cb 0.00 -1.85 -0.07 0.00 -1.02 0.00 0.00 32.58 29.64 2avs s HIS 69 CO 0.00 0.23 0.80 0.15 1.02 0.00 0.00 174.74 176.94 2avs s LYS 70 N -0.32 4.58 0.07 1.40 1.02 -1.26 -0.40 119.74 124.83 2avs s LYS 70 Ca 0.06 1.18 0.02 0.00 0.02 0.00 0.00 55.97 57.24 2avs s LYS 70 Cb -0.12 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 2avs s LYS 70 CO 0.02 0.45 -0.07 0.00 -0.92 0.00 0.00 175.35 174.83 2avs s ALA 71 N -0.71 0.79 -0.18 5.17 0.00 -0.24 -4.64 121.76 121.96 2avs s ALA 71 Ca 0.38 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2avs s ALA 71 Cb -0.22 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.07 2avs s ALA 71 CO 0.26 -0.14 0.08 0.42 0.00 0.00 0.00 175.76 176.38 2avs s ILE 72 N -2.66 -0.00 0.00 0.00 1.01 -1.26 -1.12 121.20 117.17 2avs s ILE 72 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2avs s ILE 72 Cb -0.01 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.81 2avs s ILE 72 CO -0.03 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.25 2avs n GLY 73 N 5.25 1.38 3.71 6.18 0.00 -0.45 -4.76 105.19 116.49 2avs n GLY 73 Ca -0.07 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2avs n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2avs s THR 74 N -2.36 4.84 -0.11 2.61 2.01 -1.26 -0.88 115.64 120.49 2avs s THR 74 Ca 0.00 2.04 0.02 0.00 0.31 0.00 0.00 61.69 64.06 2avs s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2avs s THR 74 CO 0.00 0.15 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.22 2avs s VAL 75 N 1.09 1.64 0.06 3.82 1.01 -0.03 -4.50 120.40 123.49 2avs s VAL 75 Ca 0.52 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 2avs s VAL 75 Cb -0.21 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 2avs s VAL 75 CO 0.27 0.47 0.38 -0.76 0.00 0.00 0.00 175.10 175.46 2avs s LEU 76 N 0.90 4.36 -0.09 3.92 1.43 0.06 -1.18 118.68 128.08 2avs s LEU 76 Ca -0.08 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 2avs s LEU 76 Cb -0.15 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.19 2avs s LEU 76 CO -0.01 0.20 -0.10 -0.69 0.23 0.00 0.00 176.35 175.98 2avs s VAL 77 N -1.36 1.08 -1.05 -1.59 1.01 0.24 -0.51 120.40 118.22 2avs s VAL 77 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2avs s VAL 77 Cb -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2avs s VAL 77 CO 0.17 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2avs n GLY 78 N 4.38 -1.28 2.24 4.51 0.00 -0.24 -0.56 105.19 114.24 2avs n GLY 78 Ca -0.18 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 2avs n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2avs n PRO 79 N -0.01 3.24 -2.47 1.61 -0.04 -1.26 -2.99 135.00 133.07 2avs n PRO 79 Ca 0.00 -1.95 -0.36 0.00 -0.04 0.00 0.00 63.50 61.15 2avs n PRO 79 Cb 0.00 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 30.89 2avs n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2avs s THR 80 N 1.45 3.58 0.38 0.52 -1.32 -1.26 -4.96 115.64 114.02 2avs s THR 80 Ca 0.68 1.16 0.15 0.00 -1.21 0.00 0.00 61.69 62.47 2avs s THR 80 Cb 0.23 -3.58 0.13 0.00 -1.51 0.00 0.00 72.50 67.77 2avs s THR 80 CO -0.05 -0.04 1.87 -0.65 -2.21 0.00 0.00 174.62 173.54 2avs h PRO 81 N 2.23 0.00 -3.72 7.08 0.11 -1.97 -3.45 132.00 132.28 2avs h PRO 81 Ca -0.49 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 2avs h PRO 81 Cb 1.22 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.15 2avs h PRO 81 CO 0.61 0.32 -0.53 0.14 -0.21 0.00 0.00 178.00 178.33 2avs s VAL 82 N -4.23 0.12 0.11 3.15 -7.23 -1.26 -5.11 120.40 105.95 2avs s VAL 82 Ca -0.03 -0.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.88 2avs s VAL 82 Cb 0.14 -0.70 -0.08 0.00 0.56 0.00 0.00 36.38 36.30 2avs s VAL 82 CO 0.71 -0.53 1.33 0.20 -0.31 0.00 0.00 175.10 176.50 2avs s ASN 83 N -1.85 6.90 -0.13 4.85 0.01 -1.26 -4.77 114.94 118.69 2avs s ASN 83 Ca -0.09 2.26 0.01 0.00 -0.71 0.00 0.00 52.86 54.34 2avs s ASN 83 Cb -0.04 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2avs s ASN 83 CO -0.02 -0.59 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.20 2avs s ILE 84 N 0.95 1.52 -0.37 0.60 1.01 0.00 -0.62 121.20 124.29 2avs s ILE 84 Ca 0.62 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 60.48 2avs s ILE 84 Cb -0.35 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.71 2avs s ILE 84 CO 0.31 0.45 0.42 -0.63 0.00 0.00 0.00 174.94 175.49 2avs s ILE 85 N 1.24 5.11 0.24 2.92 -1.09 0.11 -1.36 121.20 128.38 2avs s ILE 85 Ca -0.01 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 2avs s ILE 85 Cb -0.14 -3.93 0.03 0.00 -1.58 0.00 0.00 42.46 36.84 2avs s ILE 85 CO -0.06 -0.24 0.29 0.61 -1.23 0.00 0.00 174.94 174.30 2avs n GLY 86 N 4.99 2.28 0.24 6.18 0.00 -1.17 -1.02 105.19 116.69 2avs n GLY 86 Ca -0.08 -2.19 0.07 0.00 0.00 0.00 0.00 46.02 43.83 2avs n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2avs h ARG 87 N 0.00 0.00 -0.71 1.61 3.08 -0.81 -0.49 114.38 117.06 2avs h ARG 87 Ca -0.13 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.02 2avs h ARG 87 Cb 0.54 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 2avs h ARG 87 CO 0.19 0.13 0.47 -2.95 -1.07 0.00 0.00 179.97 176.74 2avs h ASN 88 N 0.00 0.53 0.01 7.04 -1.07 -1.75 -1.47 115.58 118.87 2avs h ASN 88 Ca -0.00 0.01 -0.29 0.00 0.07 0.00 0.00 56.30 56.09 2avs h ASN 88 Cb 0.24 -0.10 -0.05 0.00 -2.07 0.00 0.00 38.32 36.34 2avs h ASN 88 CO 0.02 0.31 -2.29 0.18 0.07 0.00 0.00 177.43 175.72 2avs n LEU 89 N -4.49 0.02 -0.22 6.14 4.77 -0.73 -4.07 117.00 118.41 2avs n LEU 89 Ca 0.12 0.01 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2avs n LEU 89 Cb 0.35 0.38 0.22 0.00 -2.33 0.00 0.00 43.42 42.05 2avs n LEU 89 CO 0.33 0.39 1.20 -0.07 -1.33 0.00 0.00 177.39 177.91 2avs h LEU 90 N 0.00 0.89 -0.89 2.23 3.38 -0.93 -1.53 115.31 118.46 2avs h LEU 90 Ca -0.42 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2avs h LEU 90 Cb 1.97 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 2avs h LEU 90 CO 0.02 0.68 0.37 0.71 0.09 0.00 0.00 178.44 180.31 2avs h THR 91 N 1.03 1.25 -0.63 0.22 1.35 -1.46 -1.21 112.91 113.46 2avs h THR 91 Ca 0.27 -0.74 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 2avs h THR 91 Cb -0.06 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 66.57 2avs h THR 91 CO -0.05 0.31 0.30 1.56 -0.25 0.00 0.00 175.52 177.39 2avs h GLN 92 N 1.16 0.89 -0.13 4.72 4.20 -1.44 -2.35 115.11 122.16 2avs h GLN 92 Ca 0.28 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2avs h GLN 92 Cb 0.14 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2avs h GLN 92 CO -0.03 0.69 0.00 0.44 -0.67 0.00 0.00 178.83 179.25 2avs n ILE 93 N -4.35 0.17 -1.43 2.54 -5.35 -0.96 -4.92 119.36 105.05 2avs n ILE 93 Ca 0.06 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2avs n ILE 93 Cb 0.13 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 2avs n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2avs n GLY 94 N 1.11 0.42 3.74 3.28 0.00 -0.88 -5.02 105.19 107.84 2avs n GLY 94 Ca 0.16 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 2avs n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2avs s ALA 95 N -2.00 3.33 0.11 4.61 0.00 -0.49 -5.03 121.76 122.30 2avs s ALA 95 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.70 2avs s ALA 95 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2avs s ALA 95 CO 0.00 -0.04 -0.10 0.95 0.00 0.00 0.00 175.76 176.57 2avs s THR 96 N -0.54 1.03 0.02 0.00 -4.23 -1.26 -4.69 115.64 105.97 2avs s THR 96 Ca 0.46 -1.80 -0.16 0.00 -1.18 0.00 0.00 61.69 59.01 2avs s THR 96 Cb -0.27 -1.55 -0.06 0.00 1.34 0.00 0.00 72.50 71.96 2avs s THR 96 CO 0.33 -0.63 0.45 -0.76 -0.54 0.00 0.00 174.62 173.48 2avs s LEU 97 N -2.72 4.49 -0.00 4.79 1.43 -1.26 -5.09 118.68 120.31 2avs s LEU 97 Ca 0.10 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.25 2avs s LEU 97 Cb -0.01 -2.68 -0.00 0.00 0.03 0.00 0.00 46.19 43.54 2avs s LEU 97 CO 0.00 0.31 -0.02 0.20 0.23 0.00 0.00 176.35 177.07 2avs s ASN 98 N -1.10 0.23 0.00 2.29 0.01 -1.26 -5.29 114.94 109.83 2avs s ASN 98 Ca 0.25 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 2avs s ASN 98 Cb -0.17 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.46 2avs s ASN 98 CO 0.15 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.98