#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wq4 s LEU 2 N 0.00 2.74 -0.03 1.53 2.96 -1.26 -2.18 118.68 122.43 2wq4 s LEU 2 Ca 0.00 -1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 52.83 2wq4 s LEU 2 Cb 0.00 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 2wq4 s LEU 2 CO 0.00 -0.13 0.16 -0.76 -1.32 0.00 0.00 176.35 174.31 2wq4 s LEU 3 N 1.24 4.33 -0.01 -0.68 1.43 -0.24 -4.97 118.68 119.78 2wq4 s LEU 3 Ca -0.03 0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 53.18 2wq4 s LEU 3 Cb -0.17 -2.46 0.05 0.00 0.03 0.00 0.00 46.19 43.65 2wq4 s LEU 3 CO -0.08 0.30 0.55 -0.94 0.23 0.00 0.00 176.35 176.41 2wq4 s SER 4 N -1.71 -0.49 -0.08 2.29 1.04 -1.26 -0.78 113.70 112.71 2wq4 s SER 4 Ca 0.24 0.42 -0.06 0.00 0.48 0.00 0.00 55.95 57.03 2wq4 s SER 4 Cb -0.12 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.50 2wq4 s SER 4 CO 0.15 -0.61 0.20 0.00 0.98 0.00 0.00 173.24 173.96 2wq4 s ALA 5 N -1.59 -0.47 0.08 5.32 0.00 0.08 -5.00 121.76 120.18 2wq4 s ALA 5 Ca -0.10 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.57 2wq4 s ALA 5 Cb -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2wq4 s ALA 5 CO 0.05 -0.13 -0.06 -1.54 0.00 0.00 0.00 175.76 174.08 2wq4 s SER 6 N 0.60 0.92 0.13 0.00 1.04 -1.26 -0.64 113.70 114.49 2wq4 s SER 6 Ca -0.04 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2wq4 s SER 6 Cb -0.06 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2wq4 s SER 6 CO -0.03 -0.45 0.02 0.27 0.98 0.00 0.00 173.24 174.03 2wq4 s ILE 7 N -3.26 0.35 0.00 -1.02 -4.36 -0.17 -4.93 121.20 107.81 2wq4 s ILE 7 Ca 0.06 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 2wq4 s ILE 7 Cb 0.03 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.78 2wq4 s ILE 7 CO -0.05 -0.59 0.82 1.33 0.24 0.00 0.00 174.94 176.70 2wq4 n VAL 8 N -0.10 0.68 -3.56 8.37 0.24 -1.26 -1.30 118.33 121.39 2wq4 n VAL 8 Ca -0.08 -0.75 -0.08 0.00 -2.04 0.00 0.00 64.34 61.40 2wq4 n VAL 8 Cb 0.63 0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 2wq4 n VAL 8 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wq4 s SER 9 N -0.68 -0.30 0.03 -1.34 0.15 -1.26 -2.10 113.70 108.21 2wq4 s SER 9 Ca 0.00 0.13 -0.09 0.00 0.70 0.00 0.00 55.95 56.69 2wq4 s SER 9 Cb 0.00 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2wq4 s SER 9 CO 0.00 -0.41 0.19 0.00 1.20 0.00 0.00 173.24 174.22 2wq4 s ALA 10 N -2.20 -0.37 0.45 5.45 0.00 -0.99 -4.97 121.76 119.14 2wq4 s ALA 10 Ca 0.04 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.52 2wq4 s ALA 10 Cb -0.01 0.24 -0.08 0.00 0.00 0.00 0.00 23.12 23.27 2wq4 s ALA 10 CO -0.04 -0.33 1.42 -2.14 0.00 0.00 0.00 175.76 174.66 2wq4 s PRO 11 N -2.32 3.68 0.09 0.00 0.02 -1.26 -4.56 135.00 130.65 2wq4 s PRO 11 Ca -0.07 2.39 -0.31 0.00 0.02 0.00 0.00 61.00 63.04 2wq4 s PRO 11 Cb -0.02 -2.65 -0.06 0.00 0.02 0.00 0.00 34.50 31.79 2wq4 s PRO 11 CO -0.03 -0.81 1.23 0.08 -0.33 0.00 0.00 177.00 177.14 2wq4 s VAL 12 N -1.21 3.83 0.02 3.83 1.01 -1.26 -4.87 120.40 121.75 2wq4 s VAL 12 Ca 0.61 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.95 2wq4 s VAL 12 Cb -0.43 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 2wq4 s VAL 12 CO 0.55 0.13 -0.04 -0.69 0.00 0.00 0.00 175.10 175.05 2wq4 s VAL 13 N 0.85 0.20 -0.08 2.92 1.01 -1.26 -5.09 120.40 118.95 2wq4 s VAL 13 Ca 0.59 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2wq4 s VAL 13 Cb -0.31 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 2wq4 s VAL 13 CO 0.31 -0.34 -0.22 -0.89 0.00 0.00 0.00 175.10 173.95 2wq4 s THR 14 N -1.09 1.91 -0.26 3.92 2.01 -1.26 -4.46 115.64 116.40 2wq4 s THR 14 Ca -0.11 -0.95 -0.18 0.00 0.31 0.00 0.00 61.69 60.77 2wq4 s THR 14 Cb -0.08 -1.64 0.07 0.00 0.01 0.00 0.00 72.50 70.86 2wq4 s THR 14 CO -0.00 0.53 0.65 -0.55 -0.69 0.00 0.00 174.62 174.56 2wq4 s SER 15 N 0.24 -0.82 0.39 3.53 0.15 -1.26 -5.01 113.70 110.91 2wq4 s SER 15 Ca -0.14 1.40 0.20 0.00 0.70 0.00 0.00 55.95 58.11 2wq4 s SER 15 Cb -0.16 1.31 0.71 0.00 -1.71 0.00 0.00 66.02 66.17 2wq4 s SER 15 CO 0.07 -0.23 1.74 -0.33 1.20 0.00 0.00 173.24 175.69 2wq4 h GLU 16 N 6.40 0.00 -6.47 5.44 5.08 -1.96 0.33 114.58 123.39 2wq4 h GLU 16 Ca -0.30 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.42 2wq4 h GLU 16 Cb 1.20 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.30 2wq4 h GLU 16 CO 0.15 0.34 -0.76 0.95 -1.00 0.00 0.00 179.01 178.69 2wq4 s THR 17 N -3.59 2.79 0.13 1.13 -4.23 -1.26 -4.72 115.64 105.88 2wq4 s THR 17 Ca 0.00 -1.91 -0.34 0.00 -1.18 0.00 0.00 61.69 58.27 2wq4 s THR 17 Cb 0.11 -2.38 -0.13 0.00 1.34 0.00 0.00 72.50 71.43 2wq4 s THR 17 CO 0.68 -0.16 1.65 -1.22 -0.54 0.00 0.00 174.62 175.03 2wq4 n TYR 18 N 0.01 2.35 -4.29 3.99 4.01 -1.26 -4.59 117.16 117.38 2wq4 n TYR 18 Ca -0.11 0.18 -0.24 0.00 -0.16 0.00 0.00 57.90 57.58 2wq4 n TYR 18 Cb 0.56 -2.58 -0.13 0.00 -0.31 0.00 0.00 39.34 36.88 2wq4 n TYR 18 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2wq4 s VAL 19 N 1.50 1.70 0.32 -0.72 -7.23 -0.24 -4.91 120.40 110.83 2wq4 s VAL 19 Ca 0.81 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.15 2wq4 s VAL 19 Cb -0.65 -1.54 -0.11 0.00 0.56 0.00 0.00 36.38 34.64 2wq4 s VAL 19 CO 0.39 -0.06 1.46 -1.81 -0.31 0.00 0.00 175.10 174.78 2wq4 s ASP 20 N -1.89 6.50 -0.46 4.85 1.01 -1.26 -1.16 116.67 124.26 2wq4 s ASP 20 Ca 0.06 2.88 -0.25 0.00 0.71 0.00 0.00 52.55 55.95 2wq4 s ASP 20 Cb -0.10 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.21 2wq4 s ASP 20 CO 0.04 -0.78 0.89 -0.63 0.21 0.00 0.00 175.17 174.91 2wq4 s ILE 21 N -0.65 4.51 0.27 0.77 1.01 -0.50 -4.86 121.20 121.76 2wq4 s ILE 21 Ca 0.56 0.65 -0.31 0.00 0.00 0.00 0.00 60.65 61.55 2wq4 s ILE 21 Cb -0.44 -4.41 -0.12 0.00 0.01 0.00 0.00 42.46 37.50 2wq4 s ILE 21 CO 0.54 -0.82 1.60 -0.81 0.00 0.00 0.00 174.94 175.45 2wq4 n PRO 22 N 7.07 2.65 0.00 2.79 -0.04 -1.26 -1.97 135.00 144.24 2wq4 n PRO 22 Ca 0.05 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2wq4 n PRO 22 Cb 0.48 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 2wq4 n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wq4 n GLY 23 N 2.46 2.23 3.36 0.55 0.00 -1.26 -4.94 105.19 107.58 2wq4 n GLY 23 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 2wq4 n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wq4 n LEU 24 N 0.00 5.50 -3.72 0.99 4.77 -0.83 -4.38 117.00 119.33 2wq4 n LEU 24 Ca 0.00 -4.87 -0.12 0.00 -0.03 0.00 0.00 56.01 50.99 2wq4 n LEU 24 Cb 0.00 -1.51 -0.13 0.00 -2.33 0.00 0.00 43.42 39.45 2wq4 n LEU 24 CO 0.00 1.18 -0.10 -0.47 -1.33 0.00 0.00 177.39 176.67 2wq4 s TYR 25 N -0.47 -0.38 -0.17 -1.77 5.04 -1.26 -1.47 117.35 116.87 2wq4 s TYR 25 Ca 0.35 0.87 -0.00 0.00 -2.44 0.00 0.00 57.07 55.85 2wq4 s TYR 25 Cb -0.07 0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.32 2wq4 s TYR 25 CO -0.05 -0.26 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.24 2wq4 s LEU 26 N 1.38 2.41 -0.99 6.97 1.43 0.45 -4.71 118.68 125.62 2wq4 s LEU 26 Ca -0.08 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 2wq4 s LEU 26 Cb -0.10 -1.56 0.13 0.00 0.03 0.00 0.00 46.19 44.69 2wq4 s LEU 26 CO -0.09 0.04 1.22 -0.62 0.23 0.00 0.00 176.35 177.13 2wq4 s ASP 27 N 1.07 6.70 0.20 2.29 -1.08 -1.26 -1.71 116.67 122.87 2wq4 s ASP 27 Ca -0.00 -2.16 -0.07 0.00 -0.52 0.00 0.00 52.55 49.80 2wq4 s ASP 27 Cb -0.14 -2.42 0.12 0.00 -1.46 0.00 0.00 42.92 39.02 2wq4 s ASP 27 CO -0.05 -1.05 1.62 0.58 0.52 0.00 0.00 175.17 176.80 2wq4 h VAL 28 N 5.72 1.27 -0.28 1.11 2.07 -1.73 -2.36 116.25 122.04 2wq4 h VAL 28 Ca 0.19 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2wq4 h VAL 28 Cb 0.99 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2wq4 h VAL 28 CO 1.16 0.44 0.15 0.00 0.02 0.00 0.00 177.57 179.35 2wq4 h ALA 29 N 1.02 0.36 -0.11 1.67 0.00 -1.50 -2.57 119.26 118.12 2wq4 h ALA 29 Ca 0.13 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2wq4 h ALA 29 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2wq4 h ALA 29 CO 0.05 -0.12 -0.30 -0.22 0.00 0.00 0.00 179.25 178.66 2wq4 h LYS 30 N 0.34 0.20 0.00 0.00 3.64 -1.81 -2.17 116.57 116.77 2wq4 h LYS 30 Ca 0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wq4 h LYS 30 Cb 0.06 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2wq4 h LYS 30 CO -0.02 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 2wq4 h ALA 31 N 1.52 1.00 -4.91 5.00 0.00 -1.02 -3.46 119.26 117.39 2wq4 h ALA 31 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 2wq4 h ALA 31 Cb 0.63 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.54 2wq4 h ALA 31 CO 0.05 0.00 -0.58 0.41 0.00 0.00 0.00 179.25 179.12 2wq4 n GLY 32 N -0.57 -0.22 3.67 0.00 0.00 -0.82 -4.89 105.19 102.36 2wq4 n GLY 32 Ca -0.01 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2wq4 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wq4 s ILE 33 N -3.27 3.48 0.80 -0.61 -1.09 -1.23 -4.97 121.20 114.31 2wq4 s ILE 33 Ca 0.22 0.70 -0.15 0.00 -2.23 0.00 0.00 60.65 59.18 2wq4 s ILE 33 Cb -0.09 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.32 2wq4 s ILE 33 CO 0.59 -0.04 0.50 0.54 -1.23 0.00 0.00 174.94 175.30 2wq4 n ARG 34 N 6.60 0.11 -1.76 2.79 1.74 -1.26 -4.78 116.66 120.10 2wq4 n ARG 34 Ca 0.16 0.08 -0.38 0.00 -0.77 0.00 0.00 57.85 56.95 2wq4 n ARG 34 Cb 0.42 -1.86 0.05 0.00 -1.02 0.00 0.00 32.46 30.05 2wq4 n ARG 34 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wq4 s ASP 35 N -1.67 5.11 0.00 0.55 -0.00 -1.26 -4.77 116.67 114.63 2wq4 s ASP 35 Ca 0.63 2.75 0.00 0.00 -0.00 0.00 0.00 52.55 55.93 2wq4 s ASP 35 Cb -0.30 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 39.99 2wq4 s ASP 35 CO 0.61 -1.67 0.00 0.61 -0.00 0.00 0.00 175.17 174.72 2wq4 n GLY 36 N 0.76 -0.01 3.14 0.21 0.00 -0.61 -4.86 105.19 103.81 2wq4 n GLY 36 Ca 0.12 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 2wq4 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wq4 s LYS 37 N -1.84 0.73 -0.12 1.61 -0.14 0.42 -0.32 119.74 120.08 2wq4 s LYS 37 Ca 0.00 -1.04 0.02 0.00 -1.36 0.00 0.00 55.97 53.59 2wq4 s LYS 37 Cb 0.00 -0.42 0.01 0.00 -1.68 0.00 0.00 37.83 35.75 2wq4 s LYS 37 CO 0.00 0.06 -0.16 -0.51 -0.76 0.00 0.00 175.35 173.98 2wq4 s LEU 38 N -2.20 1.78 -0.33 3.17 1.43 -0.11 -1.29 118.68 121.13 2wq4 s LEU 38 Ca 0.01 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 52.42 2wq4 s LEU 38 Cb -0.04 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 45.02 2wq4 s LEU 38 CO -0.01 0.02 0.76 -1.58 0.23 0.00 0.00 176.35 175.77 2wq4 s GLN 39 N 1.02 3.85 -0.13 1.70 0.74 -0.23 -0.92 119.66 125.68 2wq4 s GLN 39 Ca -0.05 0.40 -0.03 0.00 0.05 0.00 0.00 55.36 55.73 2wq4 s GLN 39 Cb -0.15 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2wq4 s GLN 39 CO -0.03 -0.74 -0.03 0.08 -0.55 0.00 0.00 175.29 174.01 2wq4 s VAL 40 N 2.97 3.95 -0.16 1.34 1.01 0.72 -1.45 120.40 128.78 2wq4 s VAL 40 Ca 0.31 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2wq4 s VAL 40 Cb -0.14 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.56 2wq4 s VAL 40 CO 0.14 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 174.94 2wq4 s ILE 41 N -0.02 2.00 -0.30 2.22 1.01 0.12 -1.37 121.20 124.85 2wq4 s ILE 41 Ca 0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 2wq4 s ILE 41 Cb -0.13 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 2wq4 s ILE 41 CO 0.03 0.53 0.18 -0.22 0.00 0.00 0.00 174.94 175.46 2wq4 s LEU 42 N 1.08 4.14 -0.18 2.97 2.96 0.02 -1.39 118.68 128.29 2wq4 s LEU 42 Ca -0.01 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2wq4 s LEU 42 Cb -0.14 -2.08 0.04 0.00 0.50 0.00 0.00 46.19 44.51 2wq4 s LEU 42 CO -0.07 -0.14 -0.11 0.21 -1.32 0.00 0.00 176.35 174.92 2wq4 s ASN 43 N 1.70 3.12 -0.57 3.68 3.84 -0.19 -0.91 114.94 125.62 2wq4 s ASN 43 Ca 0.06 -0.74 0.04 0.00 0.21 0.00 0.00 52.86 52.43 2wq4 s ASN 43 Cb -0.17 -1.18 0.15 0.00 -0.55 0.00 0.00 41.25 39.51 2wq4 s ASN 43 CO 0.09 -0.12 0.37 -0.69 -2.79 0.00 0.00 177.10 173.95 2wq4 s VAL 44 N 1.45 2.17 -0.46 -5.21 1.01 0.26 -1.07 120.40 118.54 2wq4 s VAL 44 Ca 0.01 -3.48 0.26 0.00 0.00 0.00 0.00 61.98 58.76 2wq4 s VAL 44 Cb -0.15 -2.46 0.32 0.00 0.00 0.00 0.00 36.38 34.08 2wq4 s VAL 44 CO -0.09 -0.97 1.74 1.55 0.00 0.00 0.00 175.10 177.33 2wq4 h PRO 45 N 5.96 0.00 -0.76 2.72 0.13 -1.75 -0.85 132.00 137.45 2wq4 h PRO 45 Ca 0.08 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.87 2wq4 h PRO 45 Cb 0.84 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.57 2wq4 h PRO 45 CO 0.62 0.00 -1.10 2.41 -0.23 0.00 0.00 178.00 179.70 2wq4 n THR 46 N -2.70 1.34 -1.88 1.56 -1.04 -1.26 -3.33 114.28 106.98 2wq4 n THR 46 Ca 0.04 -3.23 -0.30 0.00 -2.04 0.00 0.00 64.05 58.52 2wq4 n THR 46 Cb 0.42 0.66 0.05 0.00 -1.82 0.00 0.00 70.33 69.64 2wq4 n THR 46 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2wq4 s PRO 47 N -3.50 2.88 0.10 -2.82 0.04 -1.26 -4.66 135.00 125.78 2wq4 s PRO 47 Ca 0.31 0.47 -0.08 0.00 0.04 0.00 0.00 61.00 61.74 2wq4 s PRO 47 Cb 0.39 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.90 2wq4 s PRO 47 CO -0.01 -1.02 0.19 1.52 0.04 0.00 0.00 177.00 177.71 2wq4 s TYR 48 N -3.35 0.23 0.05 0.56 -0.85 -0.93 -4.31 117.35 108.75 2wq4 s TYR 48 Ca 0.58 -0.66 0.08 0.00 -0.52 0.00 0.00 57.07 56.55 2wq4 s TYR 48 Cb -0.11 -0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.11 2wq4 s TYR 48 CO 0.52 -0.56 -0.23 0.00 -1.52 0.00 0.00 175.55 173.76 2wq4 s ALA 49 N -3.89 1.97 -0.03 9.51 0.00 -1.26 -1.59 121.76 126.48 2wq4 s ALA 49 Ca 0.08 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 50.95 2wq4 s ALA 49 Cb 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2wq4 s ALA 49 CO -0.09 0.45 -0.24 0.95 0.00 0.00 0.00 175.76 176.84 2wq4 s THR 50 N -0.80 1.88 -1.73 0.00 -4.23 -0.57 -4.83 115.64 105.35 2wq4 s THR 50 Ca 0.09 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2wq4 s THR 50 Cb -0.09 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.18 2wq4 s THR 50 CO 0.02 0.53 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 2wq4 n GLY 51 N 2.59 -1.55 0.00 3.99 0.00 -1.26 -0.89 105.19 108.08 2wq4 n GLY 51 Ca -0.16 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2wq4 n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wq4 n ASN 52 N 1.04 1.53 -3.13 1.61 3.02 -1.26 -4.81 115.26 113.26 2wq4 n ASN 52 Ca 0.00 -1.73 -0.19 0.00 -0.03 0.00 0.00 54.58 52.62 2wq4 n ASN 52 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 2wq4 n ASN 52 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wq4 n ASN 53 N -0.37 -1.17 -3.29 6.41 5.15 -1.18 -4.60 115.26 116.22 2wq4 n ASN 53 Ca 0.00 -2.69 -0.09 0.00 -0.60 0.00 0.00 54.58 51.20 2wq4 n ASN 53 Cb 0.28 0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 2wq4 n ASN 53 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2wq4 n PHE 54 N 2.29 -2.72 -1.10 1.20 3.72 0.00 -4.83 117.46 116.03 2wq4 n PHE 54 Ca 0.22 1.06 -0.30 0.00 -0.05 0.00 0.00 57.45 58.38 2wq4 n PHE 54 Cb 0.53 -3.64 0.13 0.00 -0.94 0.00 0.00 39.48 35.56 2wq4 n PHE 54 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2wq4 s PRO 55 N -3.56 1.40 0.00 -1.08 0.02 -1.26 -4.62 135.00 125.90 2wq4 s PRO 55 Ca 0.02 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.10 2wq4 s PRO 55 Cb -0.00 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.71 2wq4 s PRO 55 CO 0.80 -2.21 0.00 0.41 -0.33 0.00 0.00 177.00 175.67 2wq4 n GLY 56 N -0.81 -1.29 2.83 0.52 0.00 -1.26 -1.03 105.19 104.16 2wq4 n GLY 56 Ca 0.08 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 2wq4 n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wq4 s ILE 57 N -2.09 0.12 0.02 -0.61 1.01 -0.72 -2.12 121.20 116.81 2wq4 s ILE 57 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.53 2wq4 s ILE 57 Cb 0.00 -0.19 -0.06 0.00 0.01 0.00 0.00 42.46 42.22 2wq4 s ILE 57 CO 0.00 0.10 0.52 -0.31 0.00 0.00 0.00 174.94 175.26 2wq4 s TYR 58 N 0.71 3.73 0.09 3.97 2.02 -0.17 -2.23 117.35 125.47 2wq4 s TYR 58 Ca -0.07 1.15 0.09 0.00 -0.37 0.00 0.00 57.07 57.87 2wq4 s TYR 58 Cb -0.10 -2.47 -0.03 0.00 -0.40 0.00 0.00 41.96 38.96 2wq4 s TYR 58 CO -0.01 0.51 -0.24 -0.06 -1.57 0.00 0.00 175.55 174.17 2wq4 s PHE 59 N -0.74 2.10 0.04 2.71 0.08 0.50 -1.21 117.98 121.46 2wq4 s PHE 59 Ca 0.28 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.95 2wq4 s PHE 59 Cb -0.18 -1.19 -0.03 0.00 -0.57 0.00 0.00 43.02 41.06 2wq4 s PHE 59 CO 0.16 0.22 -0.06 0.00 -0.10 0.00 0.00 175.22 175.44 2wq4 s ALA 60 N -0.98 0.52 -0.22 5.36 0.00 -0.10 -1.51 121.76 124.82 2wq4 s ALA 60 Ca 0.11 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 2wq4 s ALA 60 Cb -0.10 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 2wq4 s ALA 60 CO 0.04 -0.09 0.13 0.42 0.00 0.00 0.00 175.76 176.26 2wq4 s ILE 61 N -1.76 5.20 0.03 0.00 1.01 -0.51 -1.21 121.20 123.96 2wq4 s ILE 61 Ca -0.08 0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2wq4 s ILE 61 Cb -0.07 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2wq4 s ILE 61 CO -0.01 0.40 -0.12 0.00 0.00 0.00 0.00 174.94 175.20 2wq4 s ALA 62 N 0.74 1.03 0.46 9.38 0.00 -0.34 -0.55 121.76 132.48 2wq4 s ALA 62 Ca 0.07 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2wq4 s ALA 62 Cb -0.13 -0.16 0.04 0.00 0.00 0.00 0.00 23.12 22.88 2wq4 s ALA 62 CO 0.02 0.19 0.33 0.25 0.00 0.00 0.00 175.76 176.54 2wq4 n THR 63 N 2.01 0.00 0.30 0.00 -2.24 -0.26 -0.26 114.28 113.83 2wq4 n THR 63 Ca -0.18 -1.83 0.19 0.00 -2.27 0.00 0.00 64.05 59.97 2wq4 n THR 63 Cb 0.55 -0.09 1.00 0.00 -2.10 0.00 0.00 70.33 69.70 2wq4 n THR 63 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wq4 h ASN 64 N 0.56 0.00 0.11 3.42 -1.07 -1.92 -1.78 115.58 114.90 2wq4 h ASN 64 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.08 2wq4 h ASN 64 Cb 1.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 2wq4 h ASN 64 CO 0.46 0.00 -0.18 0.00 0.07 0.00 0.00 177.43 177.78 2wq4 n GLN 65 N -2.84 1.26 0.00 4.14 6.02 -1.26 -5.06 117.38 119.64 2wq4 n GLN 65 Ca -0.02 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 2wq4 n GLN 65 Cb 0.12 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.89 2wq4 n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wq4 n GLY 66 N 1.29 0.84 3.71 1.08 0.00 -0.67 -5.03 105.19 106.41 2wq4 n GLY 66 Ca 0.14 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 2wq4 n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wq4 s VAL 67 N -0.92 3.52 -0.12 1.61 1.01 -1.26 -1.10 120.40 123.13 2wq4 s VAL 67 Ca 0.00 1.08 0.19 0.00 0.00 0.00 0.00 61.98 63.25 2wq4 s VAL 67 Cb 0.00 -3.69 -0.28 0.00 0.00 0.00 0.00 36.38 32.41 2wq4 s VAL 67 CO 0.00 0.08 0.24 0.52 0.00 0.00 0.00 175.10 175.93 2wq4 n VAL 68 N 4.01 0.76 -3.58 2.92 0.31 0.29 -4.95 118.33 118.08 2wq4 n VAL 68 Ca 0.11 -0.68 -0.13 0.00 -0.01 0.00 0.00 64.34 63.63 2wq4 n VAL 68 Cb 0.43 -0.26 -0.06 0.00 -0.91 0.00 0.00 33.84 33.04 2wq4 n VAL 68 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wq4 s ALA 69 N -2.90 -1.87 0.21 3.52 0.00 -1.16 -5.02 121.76 114.54 2wq4 s ALA 69 Ca -0.09 1.63 -0.13 0.00 0.00 0.00 0.00 51.96 53.37 2wq4 s ALA 69 Cb 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2wq4 s ALA 69 CO 0.83 -0.32 0.44 0.16 0.00 0.00 0.00 175.76 176.88 2wq4 s ASP 70 N -0.63 -0.10 0.06 0.00 -4.77 -1.26 -1.43 116.67 108.54 2wq4 s ASP 70 Ca -0.03 -0.79 -0.11 0.00 -3.30 0.00 0.00 52.55 48.32 2wq4 s ASP 70 Cb -0.02 0.55 0.04 0.00 -1.09 0.00 0.00 42.92 42.40 2wq4 s ASP 70 CO 0.02 -1.06 0.50 0.61 0.70 0.00 0.00 175.17 175.95 2wq4 n GLY 71 N -0.33 0.83 3.46 2.12 0.00 -0.57 -5.00 105.19 105.70 2wq4 n GLY 71 Ca -0.05 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2wq4 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wq4 s PHE 73 N -3.87 2.84 0.04 0.00 -0.12 -0.95 -5.00 117.98 110.92 2wq4 s PHE 73 Ca 0.09 -0.10 0.01 0.00 -0.05 0.00 0.00 56.93 56.89 2wq4 s PHE 73 Cb 0.00 -1.49 -0.02 0.00 -0.63 0.00 0.00 43.02 40.88 2wq4 s PHE 73 CO -0.04 0.44 -0.06 0.95 -0.05 0.00 0.00 175.22 176.45 2wq4 s THR 74 N -1.21 0.40 0.71 -4.49 -4.23 -1.26 -1.76 115.64 103.79 2wq4 s THR 74 Ca 0.22 -1.07 -0.11 0.00 -1.18 0.00 0.00 61.69 59.55 2wq4 s THR 74 Cb -0.11 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.19 2wq4 s THR 74 CO 0.14 -0.45 1.07 -0.31 -0.54 0.00 0.00 174.62 174.53 2wq4 s TYR 75 N -1.54 3.15 -1.73 3.99 2.02 -0.19 -4.99 117.35 118.05 2wq4 s TYR 75 Ca -0.11 1.30 0.20 0.00 -0.37 0.00 0.00 57.07 58.10 2wq4 s TYR 75 Cb -0.09 -2.93 0.58 0.00 -0.40 0.00 0.00 41.96 39.12 2wq4 s TYR 75 CO -0.00 -1.26 1.48 0.43 -1.57 0.00 0.00 175.55 174.63 2wq4 n SER 76 N -3.13 3.77 -4.16 2.29 7.64 -1.26 -4.73 113.62 114.04 2wq4 n SER 76 Ca 0.07 -2.01 -0.18 0.00 1.01 0.00 0.00 58.87 57.76 2wq4 n SER 76 Cb 0.55 -0.44 -0.12 0.00 -1.01 0.00 0.00 64.21 63.19 2wq4 n SER 76 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wq4 s SER 77 N -1.00 1.59 0.12 6.43 1.04 -1.26 -5.07 113.70 115.55 2wq4 s SER 77 Ca 0.44 -0.63 -0.19 0.00 0.48 0.00 0.00 55.95 56.05 2wq4 s SER 77 Cb 0.23 -0.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.25 2wq4 s SER 77 CO 0.30 -0.10 1.73 0.50 0.98 0.00 0.00 173.24 176.64 2wq4 h LYS 78 N 4.23 0.33 -3.20 4.02 3.64 -1.93 -3.35 116.57 120.32 2wq4 h LYS 78 Ca -0.40 -0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.33 2wq4 h LYS 78 Cb 1.19 -0.07 -0.40 0.00 -0.41 0.00 0.00 32.23 32.54 2wq4 h LYS 78 CO 0.41 0.28 -0.72 0.08 -2.27 0.00 0.00 179.45 177.23 2wq4 s VAL 79 N -5.94 1.55 0.36 2.00 1.01 -1.26 -0.82 120.40 117.30 2wq4 s VAL 79 Ca -0.13 -2.52 -0.27 0.00 0.00 0.00 0.00 61.98 59.06 2wq4 s VAL 79 Cb 0.08 -2.10 -0.12 0.00 0.00 0.00 0.00 36.38 34.25 2wq4 s VAL 79 CO 0.70 -0.84 1.18 -2.65 0.00 0.00 0.00 175.10 173.49 2wq4 n PRO 80 N 3.67 1.79 -0.26 2.72 -0.02 -1.26 -4.88 135.00 136.77 2wq4 n PRO 80 Ca 0.07 0.63 -0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2wq4 n PRO 80 Cb 0.35 -2.18 0.12 0.00 -0.02 0.00 0.00 33.50 31.77 2wq4 n PRO 80 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wq4 h GLU 81 N 2.16 0.74 -4.30 -0.52 4.81 -1.99 -3.40 114.58 112.08 2wq4 h GLU 81 Ca -0.45 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 58.49 2wq4 h GLU 81 Cb 1.31 -0.17 -0.23 0.00 0.63 0.00 0.00 28.75 30.29 2wq4 h GLU 81 CO 0.61 0.49 -0.73 0.45 -0.73 0.00 0.00 179.01 179.10 2wq4 s SER 82 N -5.63 0.58 -0.68 1.04 0.15 -1.26 -5.10 113.70 102.79 2wq4 s SER 82 Ca -0.13 -0.43 -0.23 0.00 0.70 0.00 0.00 55.95 55.87 2wq4 s SER 82 Cb 0.17 0.04 0.07 0.00 -1.71 0.00 0.00 66.02 64.59 2wq4 s SER 82 CO 0.77 -0.18 1.00 0.42 1.20 0.00 0.00 173.24 176.45 2wq4 s THR 83 N -1.12 4.30 0.83 6.45 -4.23 -1.26 -5.01 115.64 115.60 2wq4 s THR 83 Ca -0.09 -0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 59.92 2wq4 s THR 83 Cb -0.08 -4.71 0.09 0.00 1.34 0.00 0.00 72.50 69.14 2wq4 s THR 83 CO -0.00 -1.49 1.10 -0.83 -0.54 0.00 0.00 174.62 172.86 2wq4 s GLY 84 N 3.70 1.61 0.80 3.99 0.00 -1.26 -4.85 107.32 111.32 2wq4 s GLY 84 Ca 0.24 -0.25 -0.12 0.00 0.00 0.00 0.00 44.72 44.59 2wq4 s GLY 84 CO 0.09 0.21 1.09 0.54 0.00 0.00 0.00 173.10 175.04 2wq4 n ARG 85 N -3.56 -0.95 -3.83 2.90 5.12 -1.26 -4.64 116.66 110.45 2wq4 n ARG 85 Ca 0.07 -1.83 -0.13 0.00 -1.93 0.00 0.00 57.85 54.03 2wq4 n ARG 85 Cb 0.57 -1.08 -0.14 0.00 -1.16 0.00 0.00 32.46 30.65 2wq4 n ARG 85 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2wq4 s PRO 87 N -5.36 0.03 -0.03 5.56 0.02 -1.21 -4.96 135.00 129.05 2wq4 s PRO 87 Ca 0.63 0.12 0.01 0.00 0.02 0.00 0.00 61.00 61.78 2wq4 s PRO 87 Cb -0.02 -0.06 0.02 0.00 0.02 0.00 0.00 34.50 34.46 2wq4 s PRO 87 CO 0.44 -0.06 -0.03 0.12 -0.33 0.00 0.00 177.00 177.14 2wq4 s PHE 88 N 0.38 0.55 0.01 6.54 5.36 -0.33 -4.99 117.98 125.51 2wq4 s PHE 88 Ca -0.03 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 2wq4 s PHE 88 Cb -0.04 -0.53 -0.01 0.00 -0.34 0.00 0.00 43.02 42.09 2wq4 s PHE 88 CO -0.01 -0.15 -0.10 0.99 -1.46 0.00 0.00 175.22 174.49 2wq4 s THR 89 N 0.88 0.74 -0.03 0.12 2.01 -1.26 -0.57 115.64 117.53 2wq4 s THR 89 Ca -0.10 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.26 2wq4 s THR 89 Cb -0.13 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.73 2wq4 s THR 89 CO -0.01 0.04 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.74 2wq4 s LEU 90 N -0.67 1.23 -0.08 4.42 2.96 -0.09 -5.01 118.68 121.44 2wq4 s LEU 90 Ca 0.00 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 2wq4 s LEU 90 Cb -0.05 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.40 2wq4 s LEU 90 CO 0.00 -0.09 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.10 2wq4 s VAL 91 N 0.96 1.39 0.00 1.68 1.01 -1.26 -0.80 120.40 123.38 2wq4 s VAL 91 Ca -0.10 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 2wq4 s VAL 91 Cb -0.13 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2wq4 s VAL 91 CO -0.01 0.41 0.22 0.00 0.00 0.00 0.00 175.10 175.72 2wq4 s ALA 92 N 0.70 -0.53 -0.13 5.51 0.00 -0.47 -5.00 121.76 121.84 2wq4 s ALA 92 Ca -0.13 0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.88 2wq4 s ALA 92 Cb -0.16 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2wq4 s ALA 92 CO 0.03 -0.26 -0.20 0.99 0.00 0.00 0.00 175.76 176.32 2wq4 s THR 93 N -1.61 2.28 0.31 0.00 2.01 -1.26 -0.20 115.64 117.17 2wq4 s THR 93 Ca -0.12 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.06 2wq4 s THR 93 Cb -0.05 -1.92 -0.06 0.00 0.01 0.00 0.00 72.50 70.48 2wq4 s THR 93 CO 0.02 0.54 -0.12 0.27 -0.69 0.00 0.00 174.62 174.63 2wq4 s ILE 94 N 0.66 2.22 0.18 1.82 -4.36 -0.10 -4.96 121.20 116.66 2wq4 s ILE 94 Ca -0.10 -2.26 -0.14 0.00 -0.26 0.00 0.00 60.65 57.89 2wq4 s ILE 94 Cb -0.16 -2.49 -0.07 0.00 1.25 0.00 0.00 42.46 40.98 2wq4 s ILE 94 CO 0.02 -0.29 0.58 -1.81 0.24 0.00 0.00 174.94 173.68 2wq4 s ASP 95 N -3.55 6.81 -0.08 4.36 1.01 -1.26 -0.93 116.67 123.03 2wq4 s ASP 95 Ca 0.31 1.10 0.05 0.00 0.71 0.00 0.00 52.55 54.71 2wq4 s ASP 95 Cb 0.00 -2.30 -0.00 0.00 1.01 0.00 0.00 42.92 41.63 2wq4 s ASP 95 CO 0.15 0.05 -0.24 -0.69 0.21 0.00 0.00 175.17 174.65 2wq4 s VAL 96 N -1.56 2.03 0.00 -1.27 1.01 0.56 -4.55 120.40 116.62 2wq4 s VAL 96 Ca 0.41 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2wq4 s VAL 96 Cb -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2wq4 s VAL 96 CO 0.20 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.46 2wq4 n GLY 97 N 3.27 0.60 0.94 4.51 0.00 -1.26 -1.58 105.19 111.67 2wq4 n GLY 97 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.85 2wq4 n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wq4 n SER 98 N 0.00 2.14 0.00 1.61 3.41 -1.26 -4.96 113.62 114.57 2wq4 n SER 98 Ca 0.00 -3.68 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 2wq4 n SER 98 Cb 0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 2wq4 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wq4 n GLY 99 N -0.91 0.84 3.69 5.00 0.00 -1.26 -5.08 105.19 107.48 2wq4 n GLY 99 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2wq4 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wq4 s VAL 100 N -2.00 3.74 -0.03 1.61 1.01 -1.26 -4.89 120.40 118.58 2wq4 s VAL 100 Ca 0.00 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.19 2wq4 s VAL 100 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2wq4 s VAL 100 CO 0.00 0.01 0.11 0.35 0.00 0.00 0.00 175.10 175.57 2wq4 n THR 101 N 4.55 0.18 -3.71 3.92 -2.24 -1.26 -4.65 114.28 111.06 2wq4 n THR 101 Ca 0.13 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 2wq4 n THR 101 Cb 0.44 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 2wq4 n THR 101 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2wq4 s PHE 102 N -2.39 -0.10 0.00 4.78 -0.12 -1.26 -1.41 117.98 117.49 2wq4 s PHE 102 Ca -0.03 -0.24 0.05 0.00 -0.05 0.00 0.00 56.93 56.66 2wq4 s PHE 102 Cb 0.04 0.25 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 2wq4 s PHE 102 CO 0.30 -0.76 -0.15 0.08 -0.05 0.00 0.00 175.22 174.64 2wq4 s VAL 103 N -3.84 1.16 0.06 -2.49 1.01 -0.69 -3.51 120.40 112.09 2wq4 s VAL 103 Ca 0.06 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2wq4 s VAL 103 Cb 0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2wq4 s VAL 103 CO -0.08 0.24 0.12 -1.59 0.00 0.00 0.00 175.10 173.79 2wq4 s LYS 104 N -0.58 0.69 -0.06 2.72 -2.85 0.64 -0.41 119.74 119.89 2wq4 s LYS 104 Ca 0.05 -0.87 -0.12 0.00 -1.00 0.00 0.00 55.97 54.03 2wq4 s LYS 104 Cb -0.06 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.93 2wq4 s LYS 104 CO 0.00 -0.19 0.31 0.20 0.10 0.00 0.00 175.35 175.77 2wq4 s GLY 105 N -2.47 2.35 0.17 0.59 0.00 -0.54 -1.20 107.32 106.22 2wq4 s GLY 105 Ca -0.00 -0.38 0.03 0.00 0.00 0.00 0.00 44.72 44.36 2wq4 s GLY 105 CO -0.07 -0.00 -0.02 1.20 0.00 0.00 0.00 173.10 174.20 2wq4 s GLN 106 N -0.91 1.12 0.08 2.90 -0.21 -0.35 -1.41 119.66 120.88 2wq4 s GLN 106 Ca 0.20 -1.53 -0.11 0.00 0.02 0.00 0.00 55.36 53.94 2wq4 s GLN 106 Cb -0.15 -0.39 0.01 0.00 1.00 0.00 0.00 33.01 33.48 2wq4 s GLN 106 CO 0.09 -0.08 0.26 1.67 -2.12 0.00 0.00 175.29 175.11 2wq4 s TRP 107 N -3.55 0.02 0.10 0.91 1.48 -0.31 -0.92 118.94 116.66 2wq4 s TRP 107 Ca 0.23 -0.34 -0.13 0.00 -1.06 0.00 0.00 56.10 54.80 2wq4 s TRP 107 Cb 0.05 0.04 0.02 0.00 -1.16 0.00 0.00 33.47 32.42 2wq4 s TRP 107 CO 0.04 -0.56 0.31 -1.59 -4.06 0.00 0.00 176.95 171.09 2wq4 s LYS 108 N -3.44 0.95 0.35 3.25 -2.85 -0.35 -1.08 119.74 116.56 2wq4 s LYS 108 Ca 0.01 -0.77 -0.26 0.00 -1.00 0.00 0.00 55.97 53.96 2wq4 s LYS 108 Cb 0.02 0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 36.11 2wq4 s LYS 108 CO -0.09 -0.34 1.05 -1.12 0.10 0.00 0.00 175.35 174.95 2wq4 s SER 109 N -2.71 7.02 -0.23 0.03 0.01 0.10 -1.00 113.70 116.92 2wq4 s SER 109 Ca 0.02 2.08 -0.18 0.00 1.31 0.00 0.00 55.95 59.18 2wq4 s SER 109 Cb 0.03 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 2wq4 s SER 109 CO -0.10 -0.30 0.51 -0.69 0.41 0.00 0.00 173.24 173.06 2wq4 s VAL 110 N -1.48 5.09 -1.45 3.43 1.01 -0.90 -4.56 120.40 121.55 2wq4 s VAL 110 Ca 0.52 0.90 -0.04 0.00 0.00 0.00 0.00 61.98 63.36 2wq4 s VAL 110 Cb -0.25 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2wq4 s VAL 110 CO 0.31 0.14 0.59 0.54 0.00 0.00 0.00 175.10 176.68 2wq4 n ARG 111 N 5.13 -3.83 -1.04 2.72 1.74 -1.26 -1.58 116.66 118.54 2wq4 n ARG 111 Ca -0.05 0.46 -0.01 0.00 -0.77 0.00 0.00 57.85 57.48 2wq4 n ARG 111 Cb 0.50 -4.84 -0.01 0.00 -1.02 0.00 0.00 32.46 27.09 2wq4 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wq4 n GLY 112 N -1.79 0.50 3.77 -0.13 0.00 -1.26 -4.72 105.19 101.55 2wq4 n GLY 112 Ca -0.21 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 2wq4 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wq4 s SER 113 N -2.30 6.57 0.80 1.61 0.01 -0.61 -4.90 113.70 114.88 2wq4 s SER 113 Ca 0.00 2.63 0.00 0.00 1.31 0.00 0.00 55.95 59.89 2wq4 s SER 113 Cb 0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2wq4 s SER 113 CO 0.00 -0.67 0.00 0.00 0.41 0.00 0.00 173.24 172.98 2wq4 n ALA 114 N 0.46 0.00 0.00 1.44 0.00 -0.07 -4.52 120.51 117.82 2wq4 n ALA 114 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2wq4 n ALA 114 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2wq4 n ALA 114 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wq4 n HIS 116 N -1.70 0.00 -4.34 0.00 8.25 -0.62 -1.51 115.22 115.30 2wq4 n HIS 116 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2wq4 n HIS 116 Cb 0.00 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 2wq4 n HIS 116 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wq4 s ILE 117 N 0.00 1.54 -0.05 1.59 1.01 -1.26 -2.18 121.20 121.86 2wq4 s ILE 117 Ca 0.00 -0.65 0.11 0.00 0.00 0.00 0.00 60.65 60.11 2wq4 s ILE 117 Cb 0.00 -1.42 0.21 0.00 0.01 0.00 0.00 42.46 41.26 2wq4 s ILE 117 CO 0.00 0.45 1.10 -0.90 0.00 0.00 0.00 174.94 175.59 2wq4 n ASP 118 N 4.36 0.88 -2.55 3.58 5.68 -1.26 -2.35 116.55 124.88 2wq4 n ASP 118 Ca -0.18 -2.41 -0.06 0.00 -0.50 0.00 0.00 54.79 51.64 2wq4 n ASP 118 Cb 0.51 -0.30 0.02 0.00 -1.14 0.00 0.00 41.12 40.21 2wq4 n ASP 118 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wq4 n SER 119 N -0.26 -1.75 -4.57 -1.12 3.41 -0.89 -4.73 113.62 103.70 2wq4 n SER 119 Ca 0.07 -2.15 -0.52 0.00 -0.26 0.00 0.00 58.87 56.01 2wq4 n SER 119 Cb 0.80 2.90 -0.06 0.00 -0.26 0.00 0.00 64.21 67.59 2wq4 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wq4 n TYR 120 N -0.47 1.33 -3.78 7.33 9.36 -1.25 -4.19 117.16 125.48 2wq4 n TYR 120 Ca -0.06 0.71 -0.11 0.00 3.32 0.00 0.00 57.90 61.76 2wq4 n TYR 120 Cb 0.48 -2.28 -0.07 0.00 -0.63 0.00 0.00 39.34 36.83 2wq4 n TYR 120 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wq4 s ALA 121 N 0.27 -0.58 0.12 2.98 0.00 -0.42 -4.28 121.76 119.84 2wq4 s ALA 121 Ca 0.83 -0.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 2wq4 s ALA 121 Cb -0.97 0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.50 2wq4 s ALA 121 CO 0.49 -0.41 0.36 -1.54 0.00 0.00 0.00 175.76 174.66 2wq4 s SER 122 N -2.13 -0.16 -0.10 0.00 1.04 -0.23 -1.00 113.70 111.12 2wq4 s SER 122 Ca -0.04 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.01 2wq4 s SER 122 Cb -0.01 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2wq4 s SER 122 CO -0.04 -0.83 -0.09 -0.22 0.98 0.00 0.00 173.24 173.04 2wq4 s LEU 123 N -2.82 1.37 0.05 2.42 2.96 0.19 -1.02 118.68 121.83 2wq4 s LEU 123 Ca 0.03 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2wq4 s LEU 123 Cb 0.02 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 2wq4 s LEU 123 CO -0.12 -0.06 -0.02 -0.94 -1.32 0.00 0.00 176.35 173.89 2wq4 s SER 124 N 1.32 0.46 -0.12 3.68 1.04 -0.48 -0.74 113.70 118.85 2wq4 s SER 124 Ca -0.02 -0.96 -0.12 0.00 0.48 0.00 0.00 55.95 55.33 2wq4 s SER 124 Cb -0.14 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.22 2wq4 s SER 124 CO -0.04 -0.60 0.34 0.00 0.98 0.00 0.00 173.24 173.92 2wq4 s ALA 125 N -3.83 -0.84 -0.09 5.32 0.00 0.04 -0.70 121.76 121.66 2wq4 s ALA 125 Ca 0.06 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.99 2wq4 s ALA 125 Cb 0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2wq4 s ALA 125 CO -0.10 -0.16 -0.20 0.42 0.00 0.00 0.00 175.76 175.72 2wq4 s ILE 126 N 0.12 2.47 0.26 0.00 1.01 -0.53 -1.08 121.20 123.45 2wq4 s ILE 126 Ca -0.01 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 2wq4 s ILE 126 Cb -0.02 -1.96 -0.09 0.00 0.01 0.00 0.00 42.46 40.40 2wq4 s ILE 126 CO 0.01 0.56 0.75 0.86 0.00 0.00 0.00 174.94 177.11 2wq4 s TRP 127 N 0.09 3.57 0.29 3.97 -0.00 -0.93 -1.06 118.94 124.86 2wq4 s TRP 127 Ca -0.09 1.37 -0.20 0.00 -0.00 0.00 0.00 56.10 57.18 2wq4 s TRP 127 Cb -0.15 -2.62 0.04 0.00 -0.00 0.00 0.00 33.47 30.73 2wq4 s TRP 127 CO 0.06 0.25 0.79 0.20 -0.00 0.00 0.00 176.95 178.25 2wq4 s GLY 128 N -1.83 0.02 0.64 5.86 0.00 -0.41 -4.65 107.32 106.95 2wq4 s GLY 128 Ca 0.47 -0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.70 2wq4 s GLY 128 CO 0.20 -0.01 1.04 -0.51 0.00 0.00 0.00 173.10 173.83 2wq4 s THR 129 N -3.31 4.27 0.69 0.90 -4.23 -1.26 -0.44 115.64 112.26 2wq4 s THR 129 Ca 0.13 0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 61.30 2wq4 s THR 129 Cb -0.05 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.23 2wq4 s THR 129 CO 0.07 -0.91 1.10 0.00 -0.54 0.00 0.00 174.62 174.35 2wq4 s ALA 130 N -2.99 2.43 0.00 3.99 0.00 -1.26 -4.77 121.76 119.16 2wq4 s ALA 130 Ca 0.58 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2wq4 s ALA 130 Cb -0.13 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2wq4 s ALA 130 CO 0.51 -1.39 0.00 0.00 0.00 0.00 0.00 175.76 174.88