#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 2.89 0.07 1.53 1.02 -1.26 -1.93 118.68 121.00 2wq4 s LEU 2 Ca 0.00 -0.14 0.10 0.00 0.02 0.00 0.00 54.13 54.11 2wq4 s LEU 2 Cb 0.00 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 2wq4 s LEU 2 CO 0.00 0.34 -0.26 -0.76 0.02 0.00 0.00 176.35 175.69 2wq4 s LEU 3 N -0.68 2.21 -0.21 1.79 1.43 0.01 -5.00 118.68 118.23 2wq4 s LEU 3 Ca 0.10 -0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 52.35 2wq4 s LEU 3 Cb -0.11 -1.26 0.06 0.00 0.03 0.00 0.00 46.19 44.91 2wq4 s LEU 3 CO 0.01 0.23 0.61 -0.94 0.23 0.00 0.00 176.35 176.49 2wq4 s SER 4 N -1.47 -0.63 0.02 2.29 1.04 -1.26 -1.00 113.70 112.69 2wq4 s SER 4 Ca 0.12 1.17 0.04 0.00 0.48 0.00 0.00 55.95 57.77 2wq4 s SER 4 Cb -0.10 1.19 -0.02 0.00 0.10 0.00 0.00 66.02 67.19 2wq4 s SER 4 CO 0.03 -0.24 -0.14 0.00 0.98 0.00 0.00 173.24 173.88 2wq4 s ALA 5 N 0.19 1.12 0.03 5.32 0.00 0.09 -5.01 121.76 123.52 2wq4 s ALA 5 Ca -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 2wq4 s ALA 5 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 2wq4 s ALA 5 CO 0.01 0.23 0.15 -1.54 0.00 0.00 0.00 175.76 174.62 2wq4 s SER 6 N -0.81 0.08 0.18 0.00 1.04 -1.26 -0.83 113.70 112.10 2wq4 s SER 6 Ca 0.03 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.08 2wq4 s SER 6 Cb -0.07 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2wq4 s SER 6 CO 0.01 -0.52 0.01 0.27 0.98 0.00 0.00 173.24 173.99 2wq4 s ILE 7 N -2.41 0.70 0.00 -1.02 -4.36 -0.39 -4.94 121.20 108.77 2wq4 s ILE 7 Ca -0.06 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 2wq4 s ILE 7 Cb -0.02 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.51 2wq4 s ILE 7 CO -0.03 -0.42 0.80 1.33 0.24 0.00 0.00 174.94 176.86 2wq4 n VAL 8 N -0.27 0.65 -3.53 8.37 0.24 -1.26 -1.30 118.33 121.23 2wq4 n VAL 8 Ca -0.06 -0.74 -0.08 0.00 -2.04 0.00 0.00 64.34 61.41 2wq4 n VAL 8 Cb 0.63 0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 33.69 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 -0.65 -0.34 0.01 -1.34 0.15 -1.26 -1.54 113.70 108.74 2wq4 s SER 9 Ca 0.00 0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 2wq4 s SER 9 Cb 0.00 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.66 2wq4 s SER 9 CO 0.00 -0.53 0.22 0.00 1.20 0.00 0.00 173.24 174.13 2wq4 s ALA 10 N -2.67 -0.49 0.59 5.45 0.00 -0.73 -4.95 121.76 118.96 2wq4 s ALA 10 Ca 0.04 -0.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 2wq4 s ALA 10 Cb -0.01 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2wq4 s ALA 10 CO -0.07 -0.29 1.32 -2.14 0.00 0.00 0.00 175.76 174.59 2wq4 s PRO 11 N -1.85 2.88 -0.06 0.00 0.02 -1.26 -4.51 135.00 130.22 2wq4 s PRO 11 Ca -0.11 2.13 -0.30 0.00 0.02 0.00 0.00 61.00 62.75 2wq4 s PRO 11 Cb -0.04 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 2wq4 s PRO 11 CO 0.00 -1.36 1.23 0.08 -0.33 0.00 0.00 177.00 176.62 2wq4 s VAL 12 N -1.36 4.18 0.06 3.83 1.01 -1.26 -4.86 120.40 122.00 2wq4 s VAL 12 Ca 0.77 1.51 0.03 0.00 0.00 0.00 0.00 61.98 64.28 2wq4 s VAL 12 Cb -0.38 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2wq4 s VAL 12 CO 0.43 -0.01 -0.09 0.68 0.00 0.00 0.00 175.10 176.11 2wq4 s VAL 13 N 2.35 0.68 -0.10 2.92 -7.23 -1.26 -5.09 120.40 112.67 2wq4 s VAL 13 Ca 0.57 -1.28 0.03 0.00 -1.81 0.00 0.00 61.98 59.50 2wq4 s VAL 13 Cb -0.25 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 35.81 2wq4 s VAL 13 CO 0.22 -0.44 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.47 2wq4 s THR 14 N -1.76 1.86 -0.22 5.32 2.01 -1.26 -4.48 115.64 117.11 2wq4 s THR 14 Ca -0.05 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 60.95 2wq4 s THR 14 Cb -0.07 -1.62 0.08 0.00 0.01 0.00 0.00 72.50 70.89 2wq4 s THR 14 CO -0.00 0.51 0.50 -0.55 -0.69 0.00 0.00 174.62 174.40 2wq4 s SER 15 N 0.47 -0.62 0.24 3.53 0.15 -1.26 -5.02 113.70 111.20 2wq4 s SER 15 Ca -0.17 1.14 0.01 0.00 0.70 0.00 0.00 55.95 57.63 2wq4 s SER 15 Cb -0.17 1.21 0.28 0.00 -1.71 0.00 0.00 66.02 65.62 2wq4 s SER 15 CO 0.07 -0.22 1.61 -0.08 1.20 0.00 0.00 173.24 175.82 2wq4 h GLU 16 N 7.43 0.44 -6.10 5.44 4.81 -1.96 0.17 114.58 124.81 2wq4 h GLU 16 Ca -0.28 -0.23 -0.56 0.00 -0.13 0.00 0.00 59.36 58.16 2wq4 h GLU 16 Cb 1.17 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.47 2wq4 h GLU 16 CO 0.20 0.80 -0.58 0.95 -0.73 0.00 0.00 179.01 179.65 2wq4 s THR 17 N -4.15 3.03 0.24 0.32 -4.23 -1.26 -4.65 115.64 104.94 2wq4 s THR 17 Ca -0.06 -1.81 -0.31 0.00 -1.18 0.00 0.00 61.69 58.32 2wq4 s THR 17 Cb 0.12 -2.90 -0.12 0.00 1.34 0.00 0.00 72.50 70.94 2wq4 s THR 17 CO 0.81 -0.23 1.63 -1.22 -0.54 0.00 0.00 174.62 175.06 2wq4 n TYR 18 N -1.04 2.70 -4.25 3.99 4.01 -1.26 -4.64 117.16 116.68 2wq4 n TYR 18 Ca -0.04 0.19 -0.18 0.00 -0.16 0.00 0.00 57.90 57.70 2wq4 n TYR 18 Cb 0.61 -2.61 -0.13 0.00 -0.31 0.00 0.00 39.34 36.90 2wq4 n TYR 18 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wq4 s VAL 19 N 0.53 0.96 0.44 -0.72 0.11 -0.51 -4.94 120.40 116.28 2wq4 s VAL 19 Ca 0.70 -1.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.48 2wq4 s VAL 19 Cb -0.53 -0.90 -0.09 0.00 -1.53 0.00 0.00 36.38 33.33 2wq4 s VAL 19 CO 0.41 -0.10 1.40 0.47 -3.33 0.00 0.00 175.10 173.95 2wq4 n ASP 20 N 1.77 3.16 -4.61 3.54 8.00 -1.26 -1.10 116.55 126.05 2wq4 n ASP 20 Ca -0.19 1.12 -0.43 0.00 0.71 0.00 0.00 54.79 56.00 2wq4 n ASP 20 Cb 0.55 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.04 2wq4 n ASP 20 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wq4 s ILE 21 N -1.19 4.51 0.27 0.53 1.01 -0.32 -4.78 121.20 121.23 2wq4 s ILE 21 Ca 0.61 1.26 -0.30 0.00 0.00 0.00 0.00 60.65 62.21 2wq4 s ILE 21 Cb -0.46 -4.39 -0.12 0.00 0.01 0.00 0.00 42.46 37.49 2wq4 s ILE 21 CO 0.58 -0.61 1.52 -0.81 0.00 0.00 0.00 174.94 175.61 2wq4 n PRO 22 N 6.97 2.43 0.00 2.79 -0.04 -1.26 -1.72 135.00 144.17 2wq4 n PRO 22 Ca 0.09 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 2wq4 n PRO 22 Cb 0.48 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 2.16 2.85 3.38 0.55 0.00 -1.26 -4.93 105.19 107.93 2wq4 n GLY 23 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 2wq4 n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wq4 s LEU 24 N 0.00 5.96 -0.01 0.99 1.43 -0.70 -4.51 118.68 121.84 2wq4 s LEU 24 Ca 0.00 -3.33 -0.11 0.00 -1.03 0.00 0.00 54.13 49.65 2wq4 s LEU 24 Cb 0.00 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.96 2wq4 s LEU 24 CO 0.00 -0.46 0.23 -0.72 0.23 0.00 0.00 176.35 175.63 2wq4 s TYR 25 N -0.26 -0.08 -0.15 0.29 -0.85 -1.26 -1.40 117.35 113.64 2wq4 s TYR 25 Ca 0.34 0.09 0.01 0.00 -0.52 0.00 0.00 57.07 56.99 2wq4 s TYR 25 Cb -0.08 0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.31 2wq4 s TYR 25 CO -0.06 -0.34 -0.19 -0.51 -1.52 0.00 0.00 175.55 172.93 2wq4 s LEU 26 N -1.32 2.02 -0.94 -3.49 1.43 0.95 -4.67 118.68 112.67 2wq4 s LEU 26 Ca -0.14 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.19 2wq4 s LEU 26 Cb -0.06 -1.39 0.14 0.00 0.03 0.00 0.00 46.19 44.91 2wq4 s LEU 26 CO 0.03 0.02 1.12 -0.62 0.23 0.00 0.00 176.35 177.13 2wq4 s ASP 27 N 1.13 6.66 0.20 2.29 -1.08 -1.26 -1.48 116.67 123.12 2wq4 s ASP 27 Ca -0.00 -2.13 -0.06 0.00 -0.52 0.00 0.00 52.55 49.83 2wq4 s ASP 27 Cb -0.14 -2.39 0.14 0.00 -1.46 0.00 0.00 42.92 39.07 2wq4 s ASP 27 CO -0.08 -1.02 1.62 0.58 0.52 0.00 0.00 175.17 176.80 2wq4 h VAL 28 N 5.71 1.27 -0.21 1.11 2.07 -1.75 -2.16 116.25 122.30 2wq4 h VAL 28 Ca 0.16 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.42 2wq4 h VAL 28 Cb 1.02 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2wq4 h VAL 28 CO 1.09 0.44 0.06 0.00 0.02 0.00 0.00 177.57 179.18 2wq4 h ALA 29 N 1.03 0.22 0.00 1.67 0.00 -1.56 -2.41 119.26 118.22 2wq4 h ALA 29 Ca 0.12 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2wq4 h ALA 29 Cb 0.69 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2wq4 h ALA 29 CO 0.05 -0.37 -0.27 0.87 0.00 0.00 0.00 179.25 179.53 2wq4 h LYS 30 N 0.15 0.00 0.00 0.00 1.79 -1.79 -1.99 116.57 114.73 2wq4 h LYS 30 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2wq4 h LYS 30 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2wq4 h LYS 30 CO -0.10 0.27 0.00 0.00 -1.08 0.00 0.00 179.45 178.54 2wq4 h ALA 31 N 1.73 1.00 -0.93 3.86 0.00 -0.90 -3.47 119.26 120.56 2wq4 h ALA 31 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2wq4 h ALA 31 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wq4 h ALA 31 CO 0.04 0.00 -0.11 0.41 0.00 0.00 0.00 179.25 179.59 2wq4 n GLY 32 N 0.06 0.35 3.47 0.00 0.00 -0.75 -5.04 105.19 103.27 2wq4 n GLY 32 Ca 0.02 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.44 4.54 0.00 -0.61 1.01 -1.13 -4.95 121.20 117.62 2wq4 s ILE 33 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.49 2wq4 s ILE 33 Cb -0.01 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2wq4 s ILE 33 CO 0.04 0.25 0.54 0.54 0.00 0.00 0.00 174.94 176.31 2wq4 n ARG 34 N 4.96 0.68 -4.00 2.79 3.00 -1.26 -4.58 116.66 118.24 2wq4 n ARG 34 Ca -0.15 -0.68 -0.10 0.00 -0.01 0.00 0.00 57.85 56.90 2wq4 n ARG 34 Cb 0.51 -0.73 -0.04 0.00 0.00 0.00 0.00 32.46 32.19 2wq4 n ARG 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2wq4 s ASP 35 N -0.29 0.15 0.00 0.55 3.68 -1.08 -4.05 116.67 115.63 2wq4 s ASP 35 Ca 0.00 -1.08 0.00 0.00 2.13 0.00 0.00 52.55 53.60 2wq4 s ASP 35 Cb 0.00 0.63 0.00 0.00 -1.45 0.00 0.00 42.92 42.10 2wq4 s ASP 35 CO 0.00 -1.23 0.00 0.61 0.13 0.00 0.00 175.17 174.68 2wq4 n GLY 36 N -0.44 -0.78 3.21 2.66 0.00 -1.26 -4.66 105.19 103.93 2wq4 n GLY 36 Ca -0.02 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 0.95 -0.11 1.61 1.02 0.59 -0.76 119.74 123.04 2wq4 s LYS 37 Ca 0.00 -1.22 0.03 0.00 0.02 0.00 0.00 55.97 54.80 2wq4 s LYS 37 Cb 0.00 -0.73 -0.00 0.00 -0.52 0.00 0.00 37.83 36.58 2wq4 s LYS 37 CO 0.00 0.13 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.83 2wq4 s LEU 38 N -2.51 2.21 -0.30 3.17 1.43 -0.26 -1.20 118.68 121.22 2wq4 s LEU 38 Ca 0.08 -0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 2wq4 s LEU 38 Cb -0.03 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 2wq4 s LEU 38 CO 0.02 0.15 0.79 -1.58 0.23 0.00 0.00 176.35 175.96 2wq4 s GLN 39 N 0.40 3.99 -0.12 1.70 0.74 -0.19 -0.89 119.66 125.28 2wq4 s GLN 39 Ca -0.16 0.63 -0.02 0.00 0.05 0.00 0.00 55.36 55.86 2wq4 s GLN 39 Cb -0.17 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 2wq4 s GLN 39 CO 0.07 -0.66 -0.04 0.08 -0.55 0.00 0.00 175.29 174.19 2wq4 s VAL 40 N 2.95 3.89 -0.13 1.34 1.01 0.98 -1.24 120.40 129.21 2wq4 s VAL 40 Ca 0.33 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2wq4 s VAL 40 Cb -0.14 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2wq4 s VAL 40 CO 0.12 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 174.95 2wq4 s ILE 41 N -0.15 1.74 -0.28 2.22 1.01 -0.04 -1.40 121.20 124.29 2wq4 s ILE 41 Ca 0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 2wq4 s ILE 41 Cb -0.13 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 2wq4 s ILE 41 CO 0.02 0.49 0.18 -0.22 0.00 0.00 0.00 174.94 175.41 2wq4 s LEU 42 N 0.99 3.97 -0.24 2.97 2.96 0.14 -1.11 118.68 128.36 2wq4 s LEU 42 Ca -0.05 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2wq4 s LEU 42 Cb -0.15 -2.10 0.05 0.00 0.50 0.00 0.00 46.19 44.49 2wq4 s LEU 42 CO -0.03 -0.05 -0.10 0.21 -1.32 0.00 0.00 176.35 175.06 2wq4 s ASN 43 N 1.75 4.02 -0.56 3.68 3.04 -0.00 -1.08 114.94 125.78 2wq4 s ASN 43 Ca 0.07 -1.20 0.04 0.00 0.04 0.00 0.00 52.86 51.81 2wq4 s ASN 43 Cb -0.16 -1.39 0.15 0.00 -1.54 0.00 0.00 41.25 38.30 2wq4 s ASN 43 CO 0.10 -0.18 0.34 -0.69 -3.04 0.00 0.00 177.10 173.63 2wq4 s VAL 44 N 1.24 2.32 -0.41 -5.21 1.01 0.56 -0.81 120.40 119.11 2wq4 s VAL 44 Ca -0.06 -3.44 0.25 0.00 0.00 0.00 0.00 61.98 58.73 2wq4 s VAL 44 Cb -0.19 -2.58 0.34 0.00 0.00 0.00 0.00 36.38 33.95 2wq4 s VAL 44 CO -0.06 -0.91 1.68 1.55 0.00 0.00 0.00 175.10 177.35 2wq4 h PRO 45 N 6.14 0.00 -0.88 2.72 0.13 -1.75 -0.13 132.00 138.23 2wq4 h PRO 45 Ca 0.03 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.79 2wq4 h PRO 45 Cb 0.85 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.58 2wq4 h PRO 45 CO 0.64 0.00 -1.10 2.41 -0.23 0.00 0.00 178.00 179.72 2wq4 n THR 46 N -2.99 1.34 -2.08 1.56 -1.04 -1.26 -3.36 114.28 106.45 2wq4 n THR 46 Ca 0.04 -3.32 -0.29 0.00 -2.04 0.00 0.00 64.05 58.44 2wq4 n THR 46 Cb 0.49 0.50 0.04 0.00 -1.82 0.00 0.00 70.33 69.53 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 -3.40 2.97 0.07 -2.82 0.04 -1.26 -4.67 135.00 125.93 2wq4 s PRO 47 Ca 0.31 0.32 -0.06 0.00 0.04 0.00 0.00 61.00 61.61 2wq4 s PRO 47 Cb 0.41 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2wq4 s PRO 47 CO -0.01 -0.85 0.13 1.52 0.04 0.00 0.00 177.00 177.82 2wq4 s TYR 48 N -3.20 0.24 0.07 0.56 -0.85 -0.88 -4.28 117.35 109.01 2wq4 s TYR 48 Ca 0.56 -0.68 0.10 0.00 -0.52 0.00 0.00 57.07 56.52 2wq4 s TYR 48 Cb -0.11 -0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.05 2wq4 s TYR 48 CO 0.49 -0.48 -0.26 0.00 -1.52 0.00 0.00 175.55 173.79 2wq4 s ALA 49 N -3.69 2.22 0.04 9.51 0.00 -1.26 -1.57 121.76 127.01 2wq4 s ALA 49 Ca 0.04 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.78 2wq4 s ALA 49 Cb 0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2wq4 s ALA 49 CO -0.10 0.52 -0.23 0.95 0.00 0.00 0.00 175.76 176.90 2wq4 s THR 50 N -0.89 1.87 -0.98 0.00 -4.23 -0.73 -4.81 115.64 105.86 2wq4 s THR 50 Ca 0.12 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2wq4 s THR 50 Cb -0.10 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.14 2wq4 s THR 50 CO 0.03 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 2wq4 n GLY 51 N 1.88 -1.31 0.28 3.99 0.00 -1.26 -0.49 105.19 108.28 2wq4 n GLY 51 Ca -0.17 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 44.98 2wq4 n GLY 51 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wq4 n ASN 52 N 0.59 1.36 -3.02 1.61 0.23 -1.26 -4.81 115.26 109.95 2wq4 n ASN 52 Ca 0.00 -1.18 -0.03 0.00 -0.53 0.00 0.00 54.58 52.84 2wq4 n ASN 52 Cb 0.00 0.48 -0.01 0.00 -2.08 0.00 0.00 39.78 38.17 2wq4 n ASN 52 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2wq4 s ASN 53 N -1.57 -1.22 -0.69 0.53 2.47 -1.23 -4.75 114.94 108.47 2wq4 s ASN 53 Ca 0.10 -1.35 -0.07 0.00 0.42 0.00 0.00 52.86 51.96 2wq4 s ASN 53 Cb 0.10 1.76 0.01 0.00 -1.45 0.00 0.00 41.25 41.67 2wq4 s ASN 53 CO 0.31 -0.12 0.65 0.49 -3.72 0.00 0.00 177.10 174.71 2wq4 n PHE 54 N 3.68 -2.72 -1.04 0.43 3.72 0.07 -4.87 117.46 116.73 2wq4 n PHE 54 Ca 0.15 1.08 -0.31 0.00 -0.05 0.00 0.00 57.45 58.32 2wq4 n PHE 54 Cb 0.55 -3.39 0.13 0.00 -0.94 0.00 0.00 39.48 35.84 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 -3.52 1.45 -0.08 -1.08 0.02 -1.26 -4.55 135.00 125.97 2wq4 s PRO 55 Ca 0.08 1.17 -0.31 0.00 0.02 0.00 0.00 61.00 61.97 2wq4 s PRO 55 Cb -0.01 -1.80 0.10 0.00 0.02 0.00 0.00 34.50 32.80 2wq4 s PRO 55 CO 0.82 -2.21 1.36 0.20 -0.33 0.00 0.00 177.00 176.84 2wq4 s GLY 56 N -3.13 -0.22 -0.01 0.52 0.00 -1.26 -1.23 107.32 101.98 2wq4 s GLY 56 Ca 0.64 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.56 2wq4 s GLY 56 CO 0.57 6.23 -0.01 -0.42 0.00 0.00 0.00 173.10 179.47 2wq4 s ILE 57 N -2.01 0.17 0.04 0.90 1.01 -0.81 -2.03 121.20 118.47 2wq4 s ILE 57 Ca 0.31 -0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 2wq4 s ILE 57 Cb 0.00 -0.20 -0.06 0.00 0.01 0.00 0.00 42.46 42.21 2wq4 s ILE 57 CO -0.03 0.09 0.45 -0.31 0.00 0.00 0.00 174.94 175.14 2wq4 s TYR 58 N 0.43 3.70 0.03 3.97 2.02 0.01 -1.99 117.35 125.52 2wq4 s TYR 58 Ca -0.04 1.00 0.06 0.00 -0.37 0.00 0.00 57.07 57.73 2wq4 s TYR 58 Cb -0.07 -2.30 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 2wq4 s TYR 58 CO -0.01 0.59 -0.19 -0.06 -1.57 0.00 0.00 175.55 174.31 2wq4 s PHE 59 N -1.19 1.65 0.05 2.71 0.08 0.09 -1.60 117.98 119.77 2wq4 s PHE 59 Ca 0.28 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 56.99 2wq4 s PHE 59 Cb -0.16 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.26 2wq4 s PHE 59 CO 0.16 0.05 -0.07 0.00 -0.10 0.00 0.00 175.22 175.26 2wq4 s ALA 60 N -0.72 0.58 -0.21 5.36 0.00 -0.04 -1.34 121.76 125.39 2wq4 s ALA 60 Ca 0.06 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 2wq4 s ALA 60 Cb -0.08 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 2wq4 s ALA 60 CO 0.01 -0.05 0.12 0.42 0.00 0.00 0.00 175.76 176.26 2wq4 s ILE 61 N -1.61 5.10 0.12 0.00 1.01 -0.52 -1.17 121.20 124.13 2wq4 s ILE 61 Ca -0.08 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.71 2wq4 s ILE 61 Cb -0.08 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 2wq4 s ILE 61 CO -0.00 0.40 -0.15 0.00 0.00 0.00 0.00 174.94 175.19 2wq4 s ALA 62 N 0.75 1.51 0.24 9.38 0.00 -0.30 -0.69 121.76 132.66 2wq4 s ALA 62 Ca 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.74 2wq4 s ALA 62 Cb -0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 2wq4 s ALA 62 CO 0.02 0.12 0.00 0.25 0.00 0.00 0.00 175.76 176.15 2wq4 n THR 63 N 0.59 0.00 0.30 0.00 -2.24 -0.05 -0.33 114.28 112.55 2wq4 n THR 63 Ca -0.16 -1.14 0.19 0.00 -2.27 0.00 0.00 64.05 60.67 2wq4 n THR 63 Cb 0.57 0.23 0.99 0.00 -2.10 0.00 0.00 70.33 70.02 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 0.59 0.00 0.57 3.42 -1.07 -1.93 -1.83 115.58 115.33 2wq4 h ASN 64 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.17 2wq4 h ASN 64 Cb 0.61 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 2wq4 h ASN 64 CO 0.33 0.00 -0.53 0.00 0.07 0.00 0.00 177.43 177.31 2wq4 n GLN 65 N -2.87 0.06 0.00 4.14 6.02 -1.26 -5.07 117.38 118.40 2wq4 n GLN 65 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2wq4 n GLN 65 Cb 0.10 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.83 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 1.47 0.72 3.72 1.08 0.00 -0.69 -5.06 105.19 106.42 2wq4 n GLY 66 Ca 0.05 -2.14 -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 -0.96 3.90 -0.20 1.61 1.01 -1.26 -0.87 120.40 123.63 2wq4 s VAL 67 Ca 0.00 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.43 2wq4 s VAL 67 Cb 0.00 -3.88 -0.21 0.00 0.00 0.00 0.00 36.38 32.28 2wq4 s VAL 67 CO 0.00 0.12 0.02 0.52 0.00 0.00 0.00 175.10 175.76 2wq4 n VAL 68 N 3.80 1.51 -3.54 2.92 0.31 0.14 -4.96 118.33 118.51 2wq4 n VAL 68 Ca 0.09 -0.69 -0.17 0.00 -0.01 0.00 0.00 64.34 63.56 2wq4 n VAL 68 Cb 0.46 -1.15 -0.06 0.00 -0.91 0.00 0.00 33.84 32.18 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 -2.52 -1.63 0.22 3.52 0.00 -1.17 -5.02 121.76 115.15 2wq4 s ALA 69 Ca -0.23 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.68 2wq4 s ALA 69 Cb 0.08 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2wq4 s ALA 69 CO 0.71 -0.40 0.52 0.16 0.00 0.00 0.00 175.76 176.76 2wq4 s ASP 70 N -1.36 -0.21 0.17 0.00 -4.77 -1.26 -1.44 116.67 107.80 2wq4 s ASP 70 Ca -0.10 -0.62 -0.17 0.00 -3.30 0.00 0.00 52.55 48.37 2wq4 s ASP 70 Cb -0.01 0.59 0.06 0.00 -1.09 0.00 0.00 42.92 42.47 2wq4 s ASP 70 CO 0.07 -1.10 0.80 0.61 0.70 0.00 0.00 175.17 176.25 2wq4 n GLY 71 N -0.36 0.80 3.37 2.12 0.00 -0.45 -5.00 105.19 105.67 2wq4 n GLY 71 Ca -0.07 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.85 2.76 0.01 0.00 -0.12 -0.84 -5.00 117.98 110.93 2wq4 s PHE 73 Ca 0.07 -0.16 -0.04 0.00 -0.05 0.00 0.00 56.93 56.75 2wq4 s PHE 73 Cb 0.01 -1.39 -0.01 0.00 -0.63 0.00 0.00 43.02 41.01 2wq4 s PHE 73 CO -0.08 0.48 0.06 0.95 -0.05 0.00 0.00 175.22 176.58 2wq4 s THR 74 N -1.50 0.08 0.77 -4.49 -4.23 -1.26 -1.92 115.64 103.09 2wq4 s THR 74 Ca 0.24 -0.70 -0.11 0.00 -1.18 0.00 0.00 61.69 59.94 2wq4 s THR 74 Cb -0.10 -0.32 0.05 0.00 1.34 0.00 0.00 72.50 73.47 2wq4 s THR 74 CO 0.16 -0.38 1.08 -0.31 -0.54 0.00 0.00 174.62 174.63 2wq4 s TYR 75 N -1.25 2.84 -1.86 3.99 2.02 -0.37 -5.00 117.35 117.74 2wq4 s TYR 75 Ca -0.14 1.29 0.18 0.00 -0.37 0.00 0.00 57.07 58.04 2wq4 s TYR 75 Cb -0.08 -3.04 0.36 0.00 -0.40 0.00 0.00 41.96 38.80 2wq4 s TYR 75 CO 0.00 -1.66 1.28 0.43 -1.57 0.00 0.00 175.55 174.04 2wq4 n SER 76 N -3.39 3.13 -4.26 2.29 7.64 -1.26 -4.75 113.62 113.02 2wq4 n SER 76 Ca 0.07 -1.91 -0.23 0.00 1.01 0.00 0.00 58.87 57.82 2wq4 n SER 76 Cb 0.55 -0.23 -0.13 0.00 -1.01 0.00 0.00 64.21 63.40 2wq4 n SER 76 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2wq4 s SER 77 N -1.22 2.38 0.11 6.43 0.01 -1.26 -5.06 113.70 115.09 2wq4 s SER 77 Ca 0.32 -0.66 -0.20 0.00 1.31 0.00 0.00 55.95 56.72 2wq4 s SER 77 Cb 0.18 -0.13 -0.08 0.00 0.21 0.00 0.00 66.02 66.20 2wq4 s SER 77 CO 0.25 0.05 1.75 0.50 0.41 0.00 0.00 173.24 176.19 2wq4 h LYS 78 N 4.20 0.25 -3.27 12.44 3.64 -1.95 -3.35 116.57 128.53 2wq4 h LYS 78 Ca -0.45 -0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.32 2wq4 h LYS 78 Cb 1.18 -0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 32.55 2wq4 h LYS 78 CO 0.40 0.19 -0.76 0.08 -2.27 0.00 0.00 179.45 177.09 2wq4 s VAL 79 N -6.07 1.02 0.57 2.00 1.01 -1.26 -0.75 120.40 116.91 2wq4 s VAL 79 Ca -0.13 -1.86 -0.21 0.00 0.00 0.00 0.00 61.98 59.78 2wq4 s VAL 79 Cb 0.08 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2wq4 s VAL 79 CO 0.69 -0.78 1.29 -2.65 0.00 0.00 0.00 175.10 173.65 2wq4 n PRO 80 N 4.29 1.48 -0.25 2.72 -0.02 -1.25 -4.87 135.00 137.09 2wq4 n PRO 80 Ca 0.03 0.55 0.05 0.00 -2.02 0.00 0.00 63.50 62.12 2wq4 n PRO 80 Cb 0.39 -2.51 0.18 0.00 -0.02 0.00 0.00 33.50 31.55 2wq4 n PRO 80 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wq4 h GLU 81 N 1.15 0.41 -3.34 -0.52 5.08 -2.00 -3.41 114.58 111.96 2wq4 h GLU 81 Ca -0.50 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 57.66 2wq4 h GLU 81 Cb 1.32 -0.09 -0.25 0.00 0.50 0.00 0.00 28.75 30.23 2wq4 h GLU 81 CO 0.56 0.27 -0.50 0.45 -1.00 0.00 0.00 179.01 178.79 2wq4 s SER 82 N -5.33 -0.14 -0.87 1.42 0.15 -1.26 -5.10 113.70 102.57 2wq4 s SER 82 Ca -0.12 0.23 -0.23 0.00 0.70 0.00 0.00 55.95 56.52 2wq4 s SER 82 Cb 0.21 0.33 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 2wq4 s SER 82 CO 0.76 -0.14 1.27 0.42 1.20 0.00 0.00 173.24 176.76 2wq4 s THR 83 N -0.26 4.06 0.89 6.45 -4.23 -1.26 -4.99 115.64 116.29 2wq4 s THR 83 Ca -0.04 -0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.87 2wq4 s THR 83 Cb -0.03 -4.92 0.12 0.00 1.34 0.00 0.00 72.50 69.02 2wq4 s THR 83 CO 0.01 -1.77 1.09 -0.83 -0.54 0.00 0.00 174.62 172.58 2wq4 s GLY 84 N 4.20 1.61 0.72 3.99 0.00 -1.26 -4.83 107.32 111.75 2wq4 s GLY 84 Ca 0.37 -0.12 -0.10 0.00 0.00 0.00 0.00 44.72 44.87 2wq4 s GLY 84 CO 0.00 0.37 0.97 0.54 0.00 0.00 0.00 173.10 174.99 2wq4 n ARG 85 N -3.83 -0.77 -3.87 2.90 5.12 -1.26 -4.62 116.66 110.34 2wq4 n ARG 85 Ca 0.07 -1.71 -0.12 0.00 -1.93 0.00 0.00 57.85 54.15 2wq4 n ARG 85 Cb 0.56 -0.94 -0.14 0.00 -1.16 0.00 0.00 32.46 30.78 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 -5.08 0.00 -0.03 5.56 0.02 -1.21 -4.94 135.00 129.31 2wq4 s PRO 87 Ca 0.57 0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.60 2wq4 s PRO 87 Cb -0.02 -0.01 0.03 0.00 0.02 0.00 0.00 34.50 34.52 2wq4 s PRO 87 CO 0.39 -0.01 0.01 0.12 -0.33 0.00 0.00 177.00 177.19 2wq4 s PHE 88 N 0.03 0.28 0.02 6.54 5.36 -0.06 -4.98 117.98 125.17 2wq4 s PHE 88 Ca -0.00 0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.02 2wq4 s PHE 88 Cb -0.00 -0.41 -0.01 0.00 -0.34 0.00 0.00 43.02 42.25 2wq4 s PHE 88 CO -0.00 -0.14 -0.08 0.99 -1.46 0.00 0.00 175.22 174.53 2wq4 s THR 89 N 1.13 0.65 -0.03 0.12 2.01 -1.26 -0.32 115.64 117.92 2wq4 s THR 89 Ca -0.08 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.28 2wq4 s THR 89 Cb -0.13 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.80 2wq4 s THR 89 CO -0.02 -0.02 0.00 -0.22 -0.69 0.00 0.00 174.62 173.67 2wq4 s LEU 90 N -0.74 1.11 -0.09 4.42 2.96 -0.25 -5.00 118.68 121.09 2wq4 s LEU 90 Ca -0.01 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2wq4 s LEU 90 Cb -0.06 -0.24 0.01 0.00 0.50 0.00 0.00 46.19 46.41 2wq4 s LEU 90 CO 0.00 -0.11 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.10 2wq4 s VAL 91 N 1.10 1.32 0.01 1.68 1.01 -1.26 -0.69 120.40 123.58 2wq4 s VAL 91 Ca -0.09 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 2wq4 s VAL 91 Cb -0.13 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2wq4 s VAL 91 CO -0.02 0.40 0.18 0.00 0.00 0.00 0.00 175.10 175.66 2wq4 s ALA 92 N 0.93 -0.38 -0.13 5.51 0.00 -0.49 -5.00 121.76 122.19 2wq4 s ALA 92 Ca -0.09 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.74 2wq4 s ALA 92 Cb -0.15 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 2wq4 s ALA 92 CO 0.00 -0.27 -0.18 0.99 0.00 0.00 0.00 175.76 176.30 2wq4 s THR 93 N -1.85 2.55 0.09 0.00 2.01 -1.26 -0.01 115.64 117.18 2wq4 s THR 93 Ca -0.11 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.15 2wq4 s THR 93 Cb -0.05 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2wq4 s THR 93 CO -0.00 0.54 -0.22 0.27 -0.69 0.00 0.00 174.62 174.51 2wq4 s ILE 94 N 0.50 1.83 0.08 1.82 -4.36 -0.07 -4.97 121.20 116.03 2wq4 s ILE 94 Ca -0.12 -1.51 -0.29 0.00 -0.26 0.00 0.00 60.65 58.47 2wq4 s ILE 94 Cb -0.16 -1.64 -0.05 0.00 1.25 0.00 0.00 42.46 41.86 2wq4 s ILE 94 CO 0.05 0.04 0.92 -1.81 0.24 0.00 0.00 174.94 174.38 2wq4 s ASP 95 N -1.77 7.41 -0.15 4.36 1.01 -1.26 -1.10 116.67 125.17 2wq4 s ASP 95 Ca 0.08 1.69 0.16 0.00 0.71 0.00 0.00 52.55 55.19 2wq4 s ASP 95 Cb -0.10 -2.56 0.52 0.00 1.01 0.00 0.00 42.92 41.80 2wq4 s ASP 95 CO 0.04 -0.08 1.42 1.33 0.21 0.00 0.00 175.17 178.09 2wq4 n VAL 96 N 2.98 2.10 -0.05 -1.27 0.24 0.06 -4.15 118.33 118.25 2wq4 n VAL 96 Ca 0.02 -1.69 -0.07 0.00 -2.04 0.00 0.00 64.34 60.56 2wq4 n VAL 96 Cb 0.50 -0.13 -0.14 0.00 -1.47 0.00 0.00 33.84 32.60 2wq4 n VAL 96 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wq4 n GLY 97 N -0.22 -1.03 0.00 7.63 0.00 -1.24 -2.63 105.19 107.69 2wq4 n GLY 97 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.83 0.00 0.00 1.61 3.41 -1.26 -4.74 113.62 109.81 2wq4 n SER 98 Ca -0.22 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2wq4 n SER 98 Cb 1.04 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 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 -1.31 1.52 3.71 5.00 0.00 -1.26 -5.11 105.19 107.75 2wq4 n GLY 99 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.06 -0.02 1.61 1.01 -1.26 -4.91 120.40 118.89 2wq4 s VAL 100 Ca 0.00 1.48 0.07 0.00 0.00 0.00 0.00 61.98 63.54 2wq4 s VAL 100 Cb 0.00 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 2wq4 s VAL 100 CO 0.00 0.12 0.13 0.35 0.00 0.00 0.00 175.10 175.70 2wq4 n THR 101 N 3.88 0.10 -3.71 3.92 -2.24 -1.26 -4.68 114.28 110.29 2wq4 n THR 101 Ca 0.09 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2wq4 n THR 101 Cb 0.46 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.45 -0.10 -0.04 4.78 -0.12 -1.26 -1.63 117.98 117.16 2wq4 s PHE 102 Ca -0.03 -0.23 0.04 0.00 -0.05 0.00 0.00 56.93 56.66 2wq4 s PHE 102 Cb 0.04 0.27 -0.00 0.00 -0.63 0.00 0.00 43.02 42.70 2wq4 s PHE 102 CO 0.31 -0.78 -0.16 0.08 -0.05 0.00 0.00 175.22 174.62 2wq4 s VAL 103 N -3.85 1.31 0.06 -2.49 1.01 -0.55 -3.77 120.40 112.12 2wq4 s VAL 103 Ca 0.07 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2wq4 s VAL 103 Cb 0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2wq4 s VAL 103 CO -0.08 0.38 -0.13 -0.54 0.00 0.00 0.00 175.10 174.74 2wq4 s LYS 104 N 0.01 0.77 -0.12 2.72 1.02 0.56 -0.03 119.74 124.66 2wq4 s LYS 104 Ca -0.02 -0.86 -0.17 0.00 0.02 0.00 0.00 55.97 54.94 2wq4 s LYS 104 Cb -0.10 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 2wq4 s LYS 104 CO 0.02 0.16 0.42 0.20 -0.92 0.00 0.00 175.35 175.23 2wq4 s GLY 105 N -1.56 2.34 0.21 -3.33 0.00 -0.49 -1.14 107.32 103.35 2wq4 s GLY 105 Ca -0.03 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.49 2wq4 s GLY 105 CO 0.02 0.64 -0.10 1.20 0.00 0.00 0.00 173.10 174.86 2wq4 s GLN 106 N 0.49 1.33 0.07 2.90 -0.21 -0.32 -1.17 119.66 122.75 2wq4 s GLN 106 Ca 0.23 -1.62 -0.06 0.00 0.02 0.00 0.00 55.36 53.93 2wq4 s GLN 106 Cb -0.15 -0.97 -0.01 0.00 1.00 0.00 0.00 33.01 32.88 2wq4 s GLN 106 CO 0.08 0.09 0.12 1.67 -2.12 0.00 0.00 175.29 175.14 2wq4 s TRP 107 N -3.11 0.25 0.09 0.91 1.48 -0.26 -0.86 118.94 117.45 2wq4 s TRP 107 Ca 0.24 -0.69 -0.14 0.00 -1.06 0.00 0.00 56.10 54.45 2wq4 s TRP 107 Cb 0.02 -0.15 0.02 0.00 -1.16 0.00 0.00 33.47 32.20 2wq4 s TRP 107 CO 0.07 -0.48 0.32 -1.59 -4.06 0.00 0.00 176.95 171.22 2wq4 s LYS 108 N -3.68 0.94 0.39 3.25 -2.85 -0.62 -1.42 119.74 115.75 2wq4 s LYS 108 Ca 0.04 -0.71 -0.25 0.00 -1.00 0.00 0.00 55.97 54.05 2wq4 s LYS 108 Cb 0.05 0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 36.14 2wq4 s LYS 108 CO -0.10 -0.34 1.11 -1.12 0.10 0.00 0.00 175.35 175.00 2wq4 s SER 109 N -2.61 6.68 -0.20 0.03 0.01 0.05 -0.81 113.70 116.85 2wq4 s SER 109 Ca 0.01 2.20 -0.20 0.00 1.31 0.00 0.00 55.95 59.27 2wq4 s SER 109 Cb 0.02 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2wq4 s SER 109 CO -0.09 -0.55 0.58 -0.69 0.41 0.00 0.00 173.24 172.90 2wq4 s VAL 110 N -1.50 5.05 -1.48 3.43 1.01 -0.86 -4.57 120.40 121.48 2wq4 s VAL 110 Ca 0.56 1.09 -0.06 0.00 0.00 0.00 0.00 61.98 63.57 2wq4 s VAL 110 Cb -0.27 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.26 2wq4 s VAL 110 CO 0.34 0.13 0.60 0.54 0.00 0.00 0.00 175.10 176.71 2wq4 n ARG 111 N 5.02 -3.74 -1.00 2.72 1.74 -1.26 -1.47 116.66 118.66 2wq4 n ARG 111 Ca -0.03 0.45 -0.00 0.00 -0.77 0.00 0.00 57.85 57.50 2wq4 n ARG 111 Cb 0.50 -4.85 -0.00 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 -1.77 0.46 3.76 -0.13 0.00 -1.26 -4.68 105.19 101.57 2wq4 n GLY 112 Ca -0.18 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 5.88 0.93 1.61 0.01 -0.55 -4.91 113.70 114.68 2wq4 s SER 113 Ca 0.00 2.64 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2wq4 s SER 113 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2wq4 s SER 113 CO 0.00 -1.14 0.00 0.00 0.41 0.00 0.00 173.24 172.51 2wq4 n ALA 114 N -0.43 0.00 0.00 1.44 0.00 0.36 -4.52 120.51 117.36 2wq4 n ALA 114 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2wq4 n ALA 114 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.89 0.00 -4.26 0.00 8.25 -0.61 -1.77 115.22 114.93 2wq4 n HIS 116 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 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 1.59 -0.04 1.59 1.01 -1.26 -2.08 121.20 122.01 2wq4 s ILE 117 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.05 2wq4 s ILE 117 Cb 0.00 -1.47 0.12 0.00 0.01 0.00 0.00 42.46 41.12 2wq4 s ILE 117 CO 0.00 0.46 1.06 -0.90 0.00 0.00 0.00 174.94 175.56 2wq4 n ASP 118 N 4.47 0.70 -2.32 3.58 5.68 -1.26 -1.78 116.55 125.62 2wq4 n ASP 118 Ca -0.18 -2.32 -0.07 0.00 -0.50 0.00 0.00 54.79 51.72 2wq4 n ASP 118 Cb 0.51 -0.27 0.02 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.34 -1.67 -4.60 -1.12 3.41 -0.59 -4.71 113.62 104.00 2wq4 n SER 119 Ca 0.05 -2.18 -0.47 0.00 -0.26 0.00 0.00 58.87 56.00 2wq4 n SER 119 Cb 0.72 2.79 -0.03 0.00 -0.26 0.00 0.00 64.21 67.43 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 -0.40 1.43 -3.77 7.33 9.36 -1.25 -4.11 117.16 125.75 2wq4 n TYR 120 Ca -0.06 0.64 -0.11 0.00 3.32 0.00 0.00 57.90 61.69 2wq4 n TYR 120 Cb 0.44 -2.30 -0.08 0.00 -0.63 0.00 0.00 39.34 36.77 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 -0.36 -0.62 0.06 2.98 0.00 -0.42 -4.30 121.76 119.11 2wq4 s ALA 121 Ca 0.69 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 2wq4 s ALA 121 Cb -0.79 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2wq4 s ALA 121 CO 0.53 -0.40 0.13 -1.54 0.00 0.00 0.00 175.76 174.49 2wq4 s SER 122 N -2.04 0.18 -0.08 0.00 1.04 0.01 -1.26 113.70 111.55 2wq4 s SER 122 Ca -0.05 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 2wq4 s SER 122 Cb -0.01 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2wq4 s SER 122 CO -0.03 -0.63 -0.03 -0.22 0.98 0.00 0.00 173.24 173.31 2wq4 s LEU 123 N -2.57 0.89 0.09 2.42 2.96 -0.01 -0.82 118.68 121.64 2wq4 s LEU 123 Ca 0.01 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.82 2wq4 s LEU 123 Cb 0.03 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 46.13 2wq4 s LEU 123 CO -0.08 -0.15 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.22 2wq4 s SER 124 N 1.70 1.84 -0.10 3.68 0.01 -0.27 -0.73 113.70 119.83 2wq4 s SER 124 Ca 0.02 -0.70 -0.10 0.00 1.31 0.00 0.00 55.95 56.49 2wq4 s SER 124 Cb -0.13 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.07 2wq4 s SER 124 CO -0.05 -0.10 0.28 0.00 0.41 0.00 0.00 173.24 173.78 2wq4 s ALA 125 N -1.61 -0.68 -0.13 1.44 0.00 -0.17 -0.86 121.76 119.75 2wq4 s ALA 125 Ca 0.03 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.77 2wq4 s ALA 125 Cb -0.08 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 2wq4 s ALA 125 CO 0.03 -0.13 -0.18 0.42 0.00 0.00 0.00 175.76 175.89 2wq4 s ILE 126 N 0.11 2.55 0.31 0.00 1.01 -0.37 -0.81 121.20 124.01 2wq4 s ILE 126 Ca -0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 2wq4 s ILE 126 Cb -0.02 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 40.31 2wq4 s ILE 126 CO 0.00 0.54 0.89 0.86 0.00 0.00 0.00 174.94 177.23 2wq4 s TRP 127 N 0.49 3.65 0.00 3.97 -0.00 -0.81 -1.02 118.94 125.22 2wq4 s TRP 127 Ca -0.12 1.67 0.00 0.00 -0.00 0.00 0.00 56.10 57.65 2wq4 s TRP 127 Cb -0.16 -2.84 0.00 0.00 -0.00 0.00 0.00 33.47 30.46 2wq4 s TRP 127 CO 0.05 0.22 0.00 0.41 -0.00 0.00 0.00 176.95 177.62 2wq4 n GLY 128 N 0.50 1.31 3.18 5.86 0.00 -0.34 -4.63 105.19 111.07 2wq4 n GLY 128 Ca 0.01 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 2wq4 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wq4 s THR 129 N -2.45 0.88 0.29 2.61 -4.23 -1.26 -0.30 115.64 111.19 2wq4 s THR 129 Ca 0.00 -1.78 -0.29 0.00 -1.18 0.00 0.00 61.69 58.44 2wq4 s THR 129 Cb 0.00 -1.51 -0.10 0.00 1.34 0.00 0.00 72.50 72.23 2wq4 s THR 129 CO 0.00 -0.68 1.15 0.00 -0.54 0.00 0.00 174.62 174.55 2wq4 s ALA 130 N -2.92 3.43 0.38 3.99 0.00 -1.26 -5.00 121.76 120.38 2wq4 s ALA 130 Ca 0.09 0.99 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 2wq4 s ALA 130 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 2wq4 s ALA 130 CO -0.01 -0.29 1.45 0.00 0.00 0.00 0.00 175.76 176.91 2wq4 s ALA 131 N -1.14 3.52 0.58 0.00 0.00 -1.26 -4.95 121.76 118.51 2wq4 s ALA 131 Ca 0.46 1.51 -0.19 0.00 0.00 0.00 0.00 51.96 53.74 2wq4 s ALA 131 Cb -0.34 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 2wq4 s ALA 131 CO 0.44 -1.00 1.17 -1.25 0.00 0.00 0.00 175.76 175.12 2wq4 s PRO 132 N -2.09 3.10 0.07 0.00 0.04 -1.26 -5.05 135.00 129.80 2wq4 s PRO 132 Ca 0.53 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.33 2wq4 s PRO 132 Cb -0.45 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 2wq4 s PRO 132 CO 0.61 -1.08 -0.03 0.45 0.04 0.00 0.00 177.00 176.99 2wq4 s SER 133 N -1.74 4.87 0.00 6.66 0.15 -1.26 -5.32 113.70 117.06 2wq4 s SER 133 Ca 0.75 -0.19 0.13 0.00 0.70 0.00 0.00 55.95 57.34 2wq4 s SER 133 Cb -0.27 -1.13 0.11 0.00 -1.71 0.00 0.00 66.02 63.01 2wq4 s SER 133 CO 0.31 0.20 0.93 -1.54 1.20 0.00 0.00 173.24 174.34