#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqv s GLN 2 N 0.00 3.42 -0.16 0.54 0.74 -1.26 -5.10 119.66 117.83 2bqv s GLN 2 Ca 0.00 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 54.79 2bqv s GLN 2 Cb 0.00 -2.71 0.01 0.00 1.10 0.00 0.00 33.01 31.41 2bqv s GLN 2 CO 0.00 0.26 -0.17 0.42 -0.55 0.00 0.00 175.29 175.24 2bqv s ILE 3 N 0.27 2.42 0.56 -2.34 1.01 -1.26 -5.12 121.20 116.73 2bqv s ILE 3 Ca -0.07 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 2bqv s ILE 3 Cb -0.15 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 2bqv s ILE 3 CO 0.05 0.52 0.90 0.42 0.00 0.00 0.00 174.94 176.83 2bqv s THR 4 N 0.99 4.55 -0.26 2.92 -4.23 -1.26 -5.02 115.64 113.33 2bqv s THR 4 Ca -0.02 0.41 0.12 0.00 -1.18 0.00 0.00 61.69 61.01 2bqv s THR 4 Cb -0.15 -3.78 0.56 0.00 1.34 0.00 0.00 72.50 70.47 2bqv s THR 4 CO -0.04 -0.87 1.52 0.18 -0.54 0.00 0.00 174.62 174.87 2bqv n LEU 5 N -2.52 4.44 0.17 4.79 4.77 -1.26 -4.52 117.00 122.87 2bqv n LEU 5 Ca 0.03 -3.39 0.01 0.00 -0.03 0.00 0.00 56.01 52.64 2bqv n LEU 5 Cb 0.55 -0.63 0.31 0.00 -2.33 0.00 0.00 43.42 41.33 2bqv n LEU 5 CO 0.55 0.95 0.67 -0.50 -1.33 0.00 0.00 177.39 177.73 2bqv h TRP 6 N 1.52 0.02 -2.18 -1.77 4.06 -2.06 -3.44 115.95 112.10 2bqv h TRP 6 Ca 0.17 -0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.55 2bqv h TRP 6 Cb 1.74 -0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.76 2bqv h TRP 6 CO 0.88 0.44 -0.61 -0.65 -3.56 0.00 0.00 178.44 174.94 2bqv s GLN 7 N -4.07 1.81 0.24 0.49 -1.52 -1.26 -5.10 119.66 110.25 2bqv s GLN 7 Ca -0.03 -2.01 -0.30 0.00 -1.95 0.00 0.00 55.36 51.07 2bqv s GLN 7 Cb 0.14 -1.32 -0.10 0.00 -0.22 0.00 0.00 33.01 31.50 2bqv s GLN 7 CO 0.74 -0.09 1.49 1.03 -0.25 0.00 0.00 175.29 178.21 2bqv s ARG 8 N -3.77 4.23 -1.26 2.91 0.52 -1.26 -4.89 118.95 115.42 2bqv s ARG 8 Ca 0.35 2.36 -0.18 0.00 -0.52 0.00 0.00 55.73 57.74 2bqv s ARG 8 Cb 0.09 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.46 2bqv s ARG 8 CO 0.17 -0.50 1.92 -0.35 0.02 0.00 0.00 175.30 176.56 2bqv n PRO 9 N 2.68 2.65 -3.51 3.54 -0.04 -1.26 -4.95 135.00 134.11 2bqv n PRO 9 Ca 0.09 -2.81 -0.38 0.00 -0.04 0.00 0.00 63.50 60.35 2bqv n PRO 9 Cb 0.39 -3.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.37 2bqv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bqv s LEU 10 N 4.59 4.42 0.23 1.53 1.43 -1.26 -1.90 118.68 127.73 2bqv s LEU 10 Ca 0.55 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 2bqv s LEU 10 Cb 0.07 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2bqv s LEU 10 CO 0.05 0.27 0.11 0.68 0.23 0.00 0.00 176.35 177.69 2bqv s VAL 11 N -0.72 0.31 -0.08 -1.59 -7.23 -0.27 -4.95 120.40 105.87 2bqv s VAL 11 Ca 0.23 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 2bqv s VAL 11 Cb -0.16 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2bqv s VAL 11 CO 0.11 -0.00 0.37 -0.89 -0.31 0.00 0.00 175.10 174.38 2bqv s THR 12 N -3.94 5.17 0.11 5.32 2.01 -1.26 -1.10 115.64 121.96 2bqv s THR 12 Ca 0.38 0.73 0.07 0.00 0.31 0.00 0.00 61.69 63.18 2bqv s THR 12 Cb 0.07 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 2bqv s THR 12 CO 0.13 0.48 -0.16 0.27 -0.69 0.00 0.00 174.62 174.65 2bqv s ILE 13 N -0.33 1.42 -0.14 1.82 -4.36 0.55 -3.20 121.20 116.97 2bqv s ILE 13 Ca 0.21 -1.58 0.02 0.00 -0.26 0.00 0.00 60.65 59.05 2bqv s ILE 13 Cb -0.15 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.13 2bqv s ILE 13 CO 0.09 -0.26 -0.21 -0.75 0.24 0.00 0.00 174.94 174.06 2bqv s LYS 14 N -2.22 3.06 -0.16 0.37 2.20 -0.42 -0.60 119.74 121.97 2bqv s LYS 14 Ca 0.06 -0.84 -0.09 0.00 -0.36 0.00 0.00 55.97 54.74 2bqv s LYS 14 Cb -0.08 -2.46 0.06 0.00 -1.51 0.00 0.00 37.83 33.83 2bqv s LYS 14 CO 0.04 -0.00 0.39 -1.50 -0.36 0.00 0.00 175.35 173.91 2bqv s ILE 15 N 0.80 -0.03 -1.35 5.43 2.07 0.19 -1.67 121.20 126.63 2bqv s ILE 15 Ca -0.07 0.09 -0.08 0.00 -1.41 0.00 0.00 60.65 59.18 2bqv s ILE 15 Cb -0.16 -0.57 0.01 0.00 0.13 0.00 0.00 42.46 41.87 2bqv s ILE 15 CO -0.01 0.04 1.17 0.61 -1.91 0.00 0.00 174.94 174.84 2bqv n GLY 16 N 4.13 -0.54 3.81 1.50 0.00 -1.26 -1.11 105.19 111.73 2bqv n GLY 16 Ca -0.23 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2bqv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bqv n GLY 17 N -1.96 0.58 3.83 -0.02 0.00 -1.26 -4.95 105.19 101.41 2bqv n GLY 17 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2bqv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bqv s GLN 18 N -0.45 3.27 -0.14 1.61 -0.21 -0.26 -5.10 119.66 118.37 2bqv s GLN 18 Ca 0.00 -0.33 -0.11 0.00 0.02 0.00 0.00 55.36 54.95 2bqv s GLN 18 Cb 0.00 -3.01 -0.05 0.00 1.00 0.00 0.00 33.01 30.95 2bqv s GLN 18 CO 0.00 0.70 0.21 -0.51 -2.12 0.00 0.00 175.29 173.57 2bqv s LEU 19 N -1.49 4.30 0.09 2.90 1.43 -1.26 -0.64 118.68 124.02 2bqv s LEU 19 Ca 0.21 0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.73 2bqv s LEU 19 Cb -0.12 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 2bqv s LEU 19 CO 0.11 0.25 0.07 -0.54 0.23 0.00 0.00 176.35 176.46 2bqv s LYS 20 N -0.20 0.80 -0.19 1.70 1.02 0.23 -4.98 119.74 118.12 2bqv s LYS 20 Ca 0.14 -1.23 -0.09 0.00 0.02 0.00 0.00 55.97 54.81 2bqv s LYS 20 Cb -0.12 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.40 2bqv s LYS 20 CO 0.03 -0.21 0.12 -2.00 -0.92 0.00 0.00 175.35 172.37 2bqv s GLU 21 N -3.95 4.06 0.06 1.68 2.12 -1.26 -0.33 118.70 121.07 2bqv s GLU 21 Ca 0.13 -0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.24 2bqv s GLU 21 Cb 0.07 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 2bqv s GLU 21 CO -0.06 0.36 -0.06 0.00 -0.54 0.00 0.00 175.26 174.96 2bqv s ALA 22 N 0.19 0.61 -0.21 6.30 0.00 -0.25 -4.47 121.76 123.92 2bqv s ALA 22 Ca 0.08 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 2bqv s ALA 22 Cb -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2bqv s ALA 22 CO -0.01 -0.15 0.28 -1.17 0.00 0.00 0.00 175.76 174.72 2bqv s LEU 23 N -2.14 4.15 -0.50 0.00 2.96 -0.09 -1.11 118.68 121.96 2bqv s LEU 23 Ca -0.03 0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 53.94 2bqv s LEU 23 Cb -0.04 -2.32 0.03 0.00 0.50 0.00 0.00 46.19 44.37 2bqv s LEU 23 CO -0.03 0.01 1.16 -0.76 -1.32 0.00 0.00 176.35 175.42 2bqv s LEU 24 N 1.07 3.58 -0.31 -0.68 1.43 -0.80 -0.94 118.68 122.03 2bqv s LEU 24 Ca 0.14 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2bqv s LEU 24 Cb -0.14 -3.46 0.07 0.00 0.03 0.00 0.00 46.19 42.69 2bqv s LEU 24 CO 0.06 -1.32 0.00 -0.62 0.23 0.00 0.00 176.35 174.70 2bqv s ASP 25 N 2.65 4.80 0.17 2.29 -1.08 -0.62 -4.83 116.67 120.04 2bqv s ASP 25 Ca 0.47 -1.53 0.24 0.00 -0.52 0.00 0.00 52.55 51.21 2bqv s ASP 25 Cb -0.07 -1.67 0.91 0.00 -1.46 0.00 0.00 42.92 40.63 2bqv s ASP 25 CO 0.30 -0.30 1.74 0.35 0.52 0.00 0.00 175.17 177.79 2bqv n THR 26 N 4.51 0.62 0.96 1.71 -2.24 -1.26 -2.63 114.28 115.96 2bqv n THR 26 Ca -0.09 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.77 2bqv n THR 26 Cb 0.43 -0.81 0.30 0.00 -2.10 0.00 0.00 70.33 68.15 2bqv n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bqv n GLY 27 N 0.76 0.64 3.50 3.38 0.00 -1.26 -4.83 105.19 107.38 2bqv n GLY 27 Ca 0.04 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2bqv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqv s ALA 28 N -1.66 3.13 0.11 4.61 0.00 -1.08 -4.99 121.76 121.88 2bqv s ALA 28 Ca 0.31 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 2bqv s ALA 28 Cb 0.17 -1.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.38 2bqv s ALA 28 CO 0.25 -0.07 1.40 -0.44 0.00 0.00 0.00 175.76 176.89 2bqv h ASP 29 N 7.30 0.84 -0.70 0.00 3.32 -1.88 -0.30 116.42 125.00 2bqv h ASP 29 Ca -0.35 -0.51 -0.65 0.00 0.02 0.00 0.00 57.03 55.54 2bqv h ASP 29 Cb 1.18 -0.24 -0.11 0.00 0.22 0.00 0.00 39.33 40.38 2bqv h ASP 29 CO 0.63 1.19 -0.49 -1.81 -1.72 0.00 0.00 179.24 177.03 2bqv s ASP 30 N -6.73 4.20 -0.18 6.45 1.01 -1.26 -3.28 116.67 116.88 2bqv s ASP 30 Ca -0.12 -1.50 -0.05 0.00 0.71 0.00 0.00 52.55 51.60 2bqv s ASP 30 Cb 0.09 0.27 -0.03 0.00 1.01 0.00 0.00 42.92 44.26 2bqv s ASP 30 CO 0.86 -0.80 -0.00 -0.89 0.21 0.00 0.00 175.17 174.54 2bqv s THR 31 N -2.81 4.09 -0.02 -1.27 2.01 -1.26 -3.42 115.64 112.96 2bqv s THR 31 Ca 0.18 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.94 2bqv s THR 31 Cb 0.03 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 2bqv s THR 31 CO 0.10 0.46 -0.12 0.54 -0.69 0.00 0.00 174.62 174.91 2bqv s VAL 32 N 0.63 1.01 0.18 3.82 0.11 -0.87 -0.96 120.40 124.31 2bqv s VAL 32 Ca -0.01 -0.50 0.09 0.00 -2.93 0.00 0.00 61.98 58.64 2bqv s VAL 32 Cb -0.14 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2bqv s VAL 32 CO 0.02 0.30 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.13 2bqv s LEU 33 N -0.01 2.45 0.82 2.54 1.43 0.49 -1.20 118.68 125.20 2bqv s LEU 33 Ca -0.01 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 2bqv s LEU 33 Cb -0.08 -0.93 0.09 0.00 0.03 0.00 0.00 46.19 45.30 2bqv s LEU 33 CO 0.00 0.01 1.18 -1.83 0.23 0.00 0.00 176.35 175.94 2bqv s GLU 34 N -2.81 1.63 -0.06 1.70 -1.05 -1.26 -1.52 118.70 115.33 2bqv s GLU 34 Ca 0.18 1.64 -0.40 0.00 -0.15 0.00 0.00 54.97 56.24 2bqv s GLU 34 Cb -0.06 -1.79 -0.18 0.00 -0.44 0.00 0.00 34.13 31.66 2bqv s GLU 34 CO 0.08 -2.20 1.29 0.39 0.95 0.00 0.00 175.26 175.78 2bqv n GLU 35 N -3.46 0.50 -3.79 -4.83 -0.58 -1.09 -4.57 120.64 102.81 2bqv n GLU 35 Ca 0.13 0.18 -0.04 0.00 -0.42 0.00 0.00 57.16 57.00 2bqv n GLU 35 Cb 0.51 -1.75 -0.01 0.00 -0.57 0.00 0.00 31.44 29.62 2bqv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bqv s MET 36 N 0.89 1.39 -0.15 3.49 0.23 -1.26 -5.03 119.30 118.85 2bqv s MET 36 Ca 0.91 -0.79 -0.06 0.00 -1.03 0.00 0.00 55.69 54.72 2bqv s MET 36 Cb -1.17 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 32.55 2bqv s MET 36 CO 0.58 -0.64 0.05 0.45 -2.03 0.00 0.00 175.02 173.42 2bqv s SER 37 N -2.99 5.53 0.05 -1.18 0.15 -1.26 -5.04 113.70 108.96 2bqv s SER 37 Ca 0.13 0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.92 2bqv s SER 37 Cb -0.03 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 2bqv s SER 37 CO 0.04 0.24 -0.10 -0.76 1.20 0.00 0.00 173.24 173.86 2bqv s LEU 38 N -0.00 2.26 0.57 3.45 1.43 -1.26 -5.06 118.68 120.07 2bqv s LEU 38 Ca 0.05 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 2bqv s LEU 38 Cb -0.12 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.76 2bqv s LEU 38 CO 0.01 -0.16 1.02 -2.84 0.23 0.00 0.00 176.35 174.61 2bqv s PRO 39 N -1.62 3.62 0.00 1.29 0.02 -1.26 -4.97 135.00 132.09 2bqv s PRO 39 Ca -0.07 1.00 0.00 0.00 0.02 0.00 0.00 61.00 61.95 2bqv s PRO 39 Cb -0.10 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.34 2bqv s PRO 39 CO 0.01 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 2bqv n GLY 40 N -1.61 1.46 3.85 0.52 0.00 -1.26 -5.01 105.19 103.15 2bqv n GLY 40 Ca 0.07 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2bqv n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bqv s ARG 41 N -2.03 3.75 0.06 1.61 0.52 -1.26 -5.08 118.95 116.51 2bqv s ARG 41 Ca 0.00 0.88 0.00 0.00 -0.52 0.00 0.00 55.73 56.09 2bqv s ARG 41 Cb 0.00 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 2bqv s ARG 41 CO 0.00 -0.44 -0.04 1.67 0.02 0.00 0.00 175.30 176.50 2bqv s TRP 42 N -2.86 0.62 0.09 -0.53 1.48 -1.26 -4.67 118.94 111.82 2bqv s TRP 42 Ca 0.57 -0.92 0.10 0.00 -1.06 0.00 0.00 56.10 54.80 2bqv s TRP 42 Cb -0.11 -0.41 -0.04 0.00 -1.16 0.00 0.00 33.47 31.76 2bqv s TRP 42 CO 0.41 -0.26 -0.26 0.15 -4.06 0.00 0.00 176.95 172.93 2bqv s LYS 43 N -3.45 1.62 0.41 3.25 1.02 -0.90 -4.89 119.74 116.79 2bqv s LYS 43 Ca 0.05 -1.23 -0.23 0.00 0.02 0.00 0.00 55.97 54.58 2bqv s LYS 43 Cb 0.04 -1.96 -0.09 0.00 -0.52 0.00 0.00 37.83 35.29 2bqv s LYS 43 CO -0.07 0.48 1.02 -2.14 -0.92 0.00 0.00 175.35 173.72 2bqv s PRO 44 N -1.73 4.18 0.07 -1.68 0.02 -1.26 -0.65 135.00 133.95 2bqv s PRO 44 Ca 0.14 1.40 -0.17 0.00 0.02 0.00 0.00 61.00 62.39 2bqv s PRO 44 Cb -0.10 -2.45 0.04 0.00 0.02 0.00 0.00 34.50 32.00 2bqv s PRO 44 CO 0.05 -0.11 0.40 0.21 -0.33 0.00 0.00 177.00 177.22 2bqv s LYS 45 N -2.65 0.97 -0.14 5.54 2.20 -0.90 -4.88 119.74 119.88 2bqv s LYS 45 Ca 0.59 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.74 2bqv s LYS 45 Cb -0.19 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 2bqv s LYS 45 CO 0.24 -0.35 -0.22 1.41 -0.36 0.00 0.00 175.35 176.07 2bqv s MET 46 N -2.93 3.01 0.05 4.03 -2.45 -1.26 -1.34 119.30 118.41 2bqv s MET 46 Ca -0.02 -0.85 0.09 0.00 -1.25 0.00 0.00 55.69 53.66 2bqv s MET 46 Cb 0.00 -2.43 -0.03 0.00 1.25 0.00 0.00 34.83 33.62 2bqv s MET 46 CO -0.06 -0.02 -0.26 0.96 1.05 0.00 0.00 175.02 176.69 2bqv s ILE 47 N 0.82 2.16 0.09 10.11 -4.36 -0.80 -4.95 121.20 124.27 2bqv s ILE 47 Ca -0.07 -1.41 0.09 0.00 -0.26 0.00 0.00 60.65 59.00 2bqv s ILE 47 Cb -0.15 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 2bqv s ILE 47 CO -0.02 0.35 -0.22 -0.83 0.24 0.00 0.00 174.94 174.46 2bqv s GLY 48 N -1.29 1.58 0.00 6.27 0.00 -1.26 -1.63 107.32 110.98 2bqv s GLY 48 Ca 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2bqv s GLY 48 CO 0.02 -1.26 0.00 0.61 0.00 0.00 0.00 173.10 172.47 2bqv n GLY 49 N 1.22 4.29 3.67 0.20 0.00 -0.85 -4.99 105.19 108.72 2bqv n GLY 49 Ca -0.17 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2bqv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqv s ILE 50 N -0.72 3.93 0.00 -0.61 -1.09 -1.26 -2.80 121.20 118.64 2bqv s ILE 50 Ca 0.00 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.60 2bqv s ILE 50 Cb 0.00 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 2bqv s ILE 50 CO 0.00 -0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.25 2bqv n GLY 51 N 3.76 2.63 0.00 6.18 0.00 -1.26 -5.01 105.19 111.48 2bqv n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2bqv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bqv n GLY 52 N -0.80 0.73 3.92 -0.02 0.00 -1.12 -5.10 105.19 102.79 2bqv n GLY 52 Ca 0.00 -2.06 -0.24 0.00 0.00 0.00 0.00 46.02 43.72 2bqv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bqv s PHE 53 N -1.39 3.38 0.04 1.61 0.40 -1.26 -2.00 117.98 118.76 2bqv s PHE 53 Ca 0.00 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2bqv s PHE 53 Cb 0.00 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 2bqv s PHE 53 CO 0.00 0.50 -0.05 0.96 0.70 0.00 0.00 175.22 177.32 2bqv s ILE 54 N -1.85 0.35 -0.09 0.64 -4.36 -0.65 -4.98 121.20 110.27 2bqv s ILE 54 Ca 0.34 -1.19 -0.13 0.00 -0.26 0.00 0.00 60.65 59.41 2bqv s ILE 54 Cb -0.10 -0.69 -0.05 0.00 1.25 0.00 0.00 42.46 42.87 2bqv s ILE 54 CO 0.27 -0.55 0.31 -0.75 0.24 0.00 0.00 174.94 174.46 2bqv s LYS 55 N -2.04 3.95 0.25 0.37 2.20 -1.26 -1.90 119.74 121.31 2bqv s LYS 55 Ca -0.08 0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 2bqv s LYS 55 Cb -0.06 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 2bqv s LYS 55 CO -0.02 0.53 0.11 0.14 -0.36 0.00 0.00 175.35 175.74 2bqv s VAL 56 N -0.44 0.47 -0.15 4.02 -7.23 -0.45 -4.57 120.40 112.04 2bqv s VAL 56 Ca 0.19 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.32 2bqv s VAL 56 Cb -0.14 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2bqv s VAL 56 CO 0.08 0.00 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.73 2bqv s ARG 57 N -4.03 3.64 -0.21 4.82 0.52 0.38 -2.12 118.95 121.94 2bqv s ARG 57 Ca 0.38 -0.46 -0.13 0.00 -0.52 0.00 0.00 55.73 55.00 2bqv s ARG 57 Cb 0.08 -2.96 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 2bqv s ARG 57 CO 0.14 0.32 0.26 -1.14 0.02 0.00 0.00 175.30 174.90 2bqv s GLN 58 N 0.17 4.15 -0.08 3.54 0.74 0.17 -0.93 119.66 127.42 2bqv s GLN 58 Ca 0.00 -0.04 0.04 0.00 0.05 0.00 0.00 55.36 55.41 2bqv s GLN 58 Cb -0.13 -3.51 -0.01 0.00 1.10 0.00 0.00 33.01 30.46 2bqv s GLN 58 CO 0.02 0.08 -0.22 0.71 -0.55 0.00 0.00 175.29 175.34 2bqv s TYR 59 N 0.97 2.57 0.26 1.67 1.51 -0.03 -2.13 117.35 122.17 2bqv s TYR 59 Ca 0.13 -0.78 0.06 0.00 -1.01 0.00 0.00 57.07 55.47 2bqv s TYR 59 Cb -0.14 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 2bqv s TYR 59 CO 0.05 -0.25 0.30 -0.51 -1.11 0.00 0.00 175.55 174.02 2bqv s ASP 60 N 0.06 5.86 -1.35 2.29 -0.00 -1.26 -0.84 116.67 121.42 2bqv s ASP 60 Ca -0.09 -0.14 -0.06 0.00 -0.00 0.00 0.00 52.55 52.26 2bqv s ASP 60 Cb -0.15 -1.53 0.02 0.00 -0.00 0.00 0.00 42.92 41.26 2bqv s ASP 60 CO 0.06 -0.11 0.98 0.00 -0.00 0.00 0.00 175.17 176.09 2bqv n GLN 61 N -1.33 -6.33 -3.74 8.23 1.13 -1.23 -4.93 117.38 109.18 2bqv n GLN 61 Ca -0.07 0.73 -0.37 0.00 -1.94 0.00 0.00 57.00 55.35 2bqv n GLN 61 Cb 0.58 -5.61 -0.07 0.00 0.11 0.00 0.00 30.24 25.25 2bqv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqv s ILE 62 N -3.41 5.39 -0.05 5.09 -1.09 -0.11 -4.83 121.20 122.19 2bqv s ILE 62 Ca 0.33 0.35 -0.13 0.00 -2.23 0.00 0.00 60.65 58.97 2bqv s ILE 62 Cb -0.16 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 2bqv s ILE 62 CO 0.77 0.54 0.33 -0.22 -1.23 0.00 0.00 174.94 175.14 2bqv s LEU 63 N -0.53 4.42 -0.00 2.97 2.96 -1.26 -1.29 118.68 125.94 2bqv s LEU 63 Ca 0.15 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 54.78 2bqv s LEU 63 Cb -0.13 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.12 2bqv s LEU 63 CO 0.04 0.30 0.11 -0.63 -1.32 0.00 0.00 176.35 174.85 2bqv s ILE 64 N -0.79 0.07 -0.17 6.68 1.01 -0.25 -4.67 121.20 123.09 2bqv s ILE 64 Ca 0.21 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 2bqv s ILE 64 Cb -0.15 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 2bqv s ILE 64 CO 0.10 -0.33 -0.09 -1.61 0.00 0.00 0.00 174.94 173.00 2bqv s GLU 65 N -1.15 3.39 -0.29 2.79 2.02 -0.67 -0.91 118.70 123.88 2bqv s GLU 65 Ca -0.12 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.24 2bqv s GLU 65 Cb -0.07 -2.79 0.08 0.00 0.10 0.00 0.00 34.13 31.45 2bqv s GLU 65 CO 0.01 0.05 -0.03 0.42 0.02 0.00 0.00 175.26 175.73 2bqv s ILE 66 N 0.81 2.09 -1.36 -1.63 1.01 0.54 -1.30 121.20 121.35 2bqv s ILE 66 Ca -0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 60.65 58.70 2bqv s ILE 66 Cb -0.15 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 39.98 2bqv s ILE 66 CO 0.01 -0.30 0.83 0.00 0.00 0.00 0.00 174.94 175.48 2bqv n GLY 68 N -1.60 2.97 3.80 0.00 0.00 -1.26 -5.03 105.19 104.07 2bqv n GLY 68 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2bqv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bqv s HIS 69 N -1.78 3.81 0.05 1.61 4.02 -0.88 -5.05 115.29 117.06 2bqv s HIS 69 Ca 0.00 1.43 -0.10 0.00 1.02 0.00 0.00 55.06 57.41 2bqv s HIS 69 Cb 0.00 -2.62 -0.06 0.00 -1.02 0.00 0.00 32.58 28.88 2bqv s HIS 69 CO 0.00 0.50 0.37 0.15 1.02 0.00 0.00 174.74 176.79 2bqv s LYS 70 N -1.33 3.75 -0.00 1.40 -0.14 -1.26 -0.34 119.74 121.81 2bqv s LYS 70 Ca 0.35 0.16 -0.12 0.00 -1.36 0.00 0.00 55.97 55.00 2bqv s LYS 70 Cb -0.20 -3.05 0.02 0.00 -1.68 0.00 0.00 37.83 32.91 2bqv s LYS 70 CO 0.22 0.60 0.25 0.00 -0.76 0.00 0.00 175.35 175.67 2bqv s ALA 71 N -1.32 -0.62 -0.03 5.17 0.00 -0.09 -4.83 121.76 120.04 2bqv s ALA 71 Ca 0.30 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.43 2bqv s ALA 71 Cb -0.14 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2bqv s ALA 71 CO 0.16 -0.27 -0.17 0.42 0.00 0.00 0.00 175.76 175.91 2bqv s ILE 72 N -1.54 1.36 -0.73 0.00 1.01 -1.26 -1.09 121.20 118.95 2bqv s ILE 72 Ca -0.13 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2bqv s ILE 72 Cb -0.05 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.26 2bqv s ILE 72 CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.96 2bqv n GLY 73 N 2.99 -1.32 3.74 6.18 0.00 -0.41 -4.93 105.19 111.44 2bqv n GLY 73 Ca -0.17 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 2bqv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bqv s THR 74 N -2.38 4.06 -0.04 2.61 2.01 -1.26 -0.93 115.64 119.71 2bqv s THR 74 Ca 0.00 1.90 0.03 0.00 0.31 0.00 0.00 61.69 63.92 2bqv s THR 74 Cb 0.00 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2bqv s THR 74 CO 0.00 0.38 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.51 2bqv s VAL 75 N -0.63 0.97 -0.03 3.82 1.01 -0.02 -4.52 120.40 121.01 2bqv s VAL 75 Ca 0.45 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 2bqv s VAL 75 Cb -0.27 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2bqv s VAL 75 CO 0.33 0.30 0.03 -0.76 0.00 0.00 0.00 175.10 175.00 2bqv s LEU 76 N 0.31 3.68 -0.07 3.92 1.43 -0.13 -0.85 118.68 126.96 2bqv s LEU 76 Ca -0.06 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 2bqv s LEU 76 Cb -0.11 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.06 2bqv s LEU 76 CO 0.01 0.30 -0.17 -0.69 0.23 0.00 0.00 176.35 176.04 2bqv s VAL 77 N -1.07 1.47 0.00 -1.59 1.01 -0.11 -0.38 120.40 119.73 2bqv s VAL 77 Ca 0.19 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2bqv s VAL 77 Cb -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.96 2bqv s VAL 77 CO 0.09 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2bqv n GLY 78 N 3.61 0.69 2.29 4.51 0.00 -0.57 -0.47 105.19 115.25 2bqv n GLY 78 Ca -0.21 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 2bqv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bqv n PRO 79 N 0.00 2.95 -3.22 1.61 -0.04 -1.26 -2.69 135.00 132.35 2bqv n PRO 79 Ca 0.00 -1.74 -0.35 0.00 -0.04 0.00 0.00 63.50 61.37 2bqv n PRO 79 Cb 0.00 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.88 2bqv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bqv s THR 80 N 2.13 4.71 0.39 0.52 -1.32 -1.26 -4.98 115.64 115.83 2bqv s THR 80 Ca 0.62 1.01 0.15 0.00 -1.21 0.00 0.00 61.69 62.26 2bqv s THR 80 Cb 0.19 -3.76 0.14 0.00 -1.51 0.00 0.00 72.50 67.57 2bqv s THR 80 CO -0.04 0.13 1.90 -0.65 -2.21 0.00 0.00 174.62 173.75 2bqv h PRO 81 N 3.19 0.00 -3.16 7.08 0.11 -1.99 -3.43 132.00 133.80 2bqv h PRO 81 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2bqv h PRO 81 Cb 1.19 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.12 2bqv h PRO 81 CO 0.66 0.29 -0.24 0.54 -0.21 0.00 0.00 178.00 179.04 2bqv s VAL 82 N -4.33 0.07 0.10 3.15 0.11 -1.26 -5.08 120.40 113.17 2bqv s VAL 82 Ca -0.03 -0.57 -0.31 0.00 -2.93 0.00 0.00 61.98 58.14 2bqv s VAL 82 Cb 0.15 -0.83 -0.07 0.00 -1.53 0.00 0.00 36.38 34.10 2bqv s VAL 82 CO 0.70 -0.32 1.30 0.20 -3.33 0.00 0.00 175.10 173.65 2bqv s ASN 83 N -1.78 6.94 -0.11 3.54 0.01 -1.26 -4.77 114.94 117.51 2bqv s ASN 83 Ca -0.08 2.20 0.01 0.00 -0.71 0.00 0.00 52.86 54.28 2bqv s ASN 83 Cb -0.02 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2bqv s ASN 83 CO -0.00 -0.56 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.26 2bqv s ILE 84 N 0.98 1.45 -0.33 0.60 1.01 -0.34 -0.91 121.20 123.66 2bqv s ILE 84 Ca 0.61 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 2bqv s ILE 84 Cb -0.34 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2bqv s ILE 84 CO 0.30 0.43 0.39 -0.63 0.00 0.00 0.00 174.94 175.43 2bqv s ILE 85 N 1.10 5.15 0.62 2.92 -1.09 -0.12 -2.06 121.20 127.73 2bqv s ILE 85 Ca -0.04 0.20 0.06 0.00 -2.23 0.00 0.00 60.65 58.63 2bqv s ILE 85 Cb -0.14 -3.82 0.11 0.00 -1.58 0.00 0.00 42.46 37.03 2bqv s ILE 85 CO -0.03 -0.06 0.86 0.61 -1.23 0.00 0.00 174.94 175.09 2bqv n GLY 86 N 4.88 1.47 0.41 6.18 0.00 -1.22 -1.59 105.19 115.32 2bqv n GLY 86 Ca -0.08 -2.15 0.21 0.00 0.00 0.00 0.00 46.02 43.99 2bqv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bqv h ARG 87 N 0.00 0.25 -0.02 1.61 3.08 -1.16 -1.35 114.38 116.78 2bqv h ARG 87 Ca -0.29 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.75 2bqv h ARG 87 Cb 1.22 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2bqv h ARG 87 CO 0.37 0.16 0.02 -2.95 -1.07 0.00 0.00 179.97 176.50 2bqv h ASN 88 N 0.25 0.00 0.00 7.04 -1.07 -1.81 -2.39 115.58 117.61 2bqv h ASN 88 Ca 0.41 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.54 2bqv h ASN 88 Cb 1.22 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.43 2bqv h ASN 88 CO -0.10 0.00 -1.92 0.18 0.07 0.00 0.00 177.43 175.66 2bqv n LEU 89 N -4.09 0.00 0.02 6.14 4.77 -0.62 -4.45 117.00 118.76 2bqv n LEU 89 Ca -0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.98 2bqv n LEU 89 Cb 0.11 0.32 0.39 0.00 -2.33 0.00 0.00 43.42 41.91 2bqv n LEU 89 CO 0.30 0.32 1.07 -0.07 -1.33 0.00 0.00 177.39 177.68 2bqv h LEU 90 N 0.00 0.44 -0.78 2.23 3.38 -1.13 -2.08 115.31 117.37 2bqv h LEU 90 Ca -0.35 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 2bqv h LEU 90 Cb 1.79 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 2bqv h LEU 90 CO 0.02 0.40 0.14 0.71 0.09 0.00 0.00 178.44 179.80 2bqv h THR 91 N 0.49 1.26 0.00 0.22 1.35 -1.66 -2.23 112.91 112.34 2bqv h THR 91 Ca 0.12 -0.97 -0.03 0.00 -0.55 0.00 0.00 66.41 64.99 2bqv h THR 91 Cb 0.09 0.59 -0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2bqv h THR 91 CO -0.01 0.37 -0.13 1.56 -0.25 0.00 0.00 175.52 177.05 2bqv h GLN 92 N 1.00 0.00 -0.45 4.72 1.08 -1.59 -2.05 115.11 117.82 2bqv h GLN 92 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2bqv h GLN 92 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2bqv h GLN 92 CO 0.00 0.13 0.00 0.44 -0.95 0.00 0.00 178.83 178.46 2bqv n ILE 93 N -3.87 0.59 -1.99 2.54 -5.35 -1.13 -4.94 119.36 105.20 2bqv n ILE 93 Ca -0.02 -0.73 -0.05 0.00 -0.27 0.00 0.00 62.75 61.68 2bqv n ILE 93 Cb 0.23 0.69 -0.00 0.00 -1.74 0.00 0.00 39.64 38.81 2bqv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bqv n GLY 94 N 1.46 0.23 3.73 3.28 0.00 -0.77 -5.02 105.19 108.10 2bqv n GLY 94 Ca 0.20 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2bqv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqv s THR 96 N -0.11 0.46 -0.19 0.00 -4.23 -1.26 -4.74 115.64 105.58 2bqv s THR 96 Ca 0.49 -1.80 -0.09 0.00 -1.18 0.00 0.00 61.69 59.11 2bqv s THR 96 Cb -0.27 -1.50 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 2bqv s THR 96 CO 0.33 -0.89 0.11 -0.76 -0.54 0.00 0.00 174.62 172.87 2bqv s LEU 97 N -2.86 4.14 0.00 4.79 1.43 -1.26 -5.10 118.68 119.82 2bqv s LEU 97 Ca 0.08 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2bqv s LEU 97 Cb 0.05 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 2bqv s LEU 97 CO -0.07 0.21 -0.08 0.20 0.23 0.00 0.00 176.35 176.84 2bqv s ASN 98 N 0.20 0.94 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.94 2bqv s ASN 98 Ca 0.08 -0.19 0.00 0.00 -1.57 0.00 0.00 52.86 51.18 2bqv s ASN 98 Cb -0.11 -0.09 0.00 0.00 -0.02 0.00 0.00 41.25 41.03 2bqv s ASN 98 CO -0.01 0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.81