#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 3.03 0.05 1.53 1.43 -1.26 -1.87 118.68 121.59 2wq4 s LEU 2 Ca 0.00 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 2wq4 s LEU 2 Cb 0.00 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2wq4 s LEU 2 CO 0.00 0.25 -0.13 -0.76 0.23 0.00 0.00 176.35 175.94 2wq4 s LEU 3 N -1.65 2.21 -0.09 1.79 1.02 0.23 -5.00 118.68 117.19 2wq4 s LEU 3 Ca 0.18 -0.51 -0.25 0.00 0.02 0.00 0.00 54.13 53.58 2wq4 s LEU 3 Cb -0.11 -0.51 0.06 0.00 0.02 0.00 0.00 46.19 45.65 2wq4 s LEU 3 CO 0.09 -0.03 0.58 -0.94 0.02 0.00 0.00 176.35 176.07 2wq4 s SER 4 N -1.35 -0.55 -0.00 2.29 1.04 -1.26 -1.08 113.70 112.78 2wq4 s SER 4 Ca -0.01 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2wq4 s SER 4 Cb -0.09 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2wq4 s SER 4 CO 0.01 -0.47 -0.00 0.00 0.98 0.00 0.00 173.24 173.77 2wq4 s ALA 5 N -0.80 0.05 0.05 5.32 0.00 -0.02 -5.00 121.76 121.36 2wq4 s ALA 5 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2wq4 s ALA 5 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2wq4 s ALA 5 CO 0.06 -0.01 -0.05 -1.54 0.00 0.00 0.00 175.76 174.23 2wq4 s SER 6 N 0.13 0.64 0.17 0.00 1.04 -1.26 -0.56 113.70 113.86 2wq4 s SER 6 Ca -0.01 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.61 2wq4 s SER 6 Cb -0.02 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 2wq4 s SER 6 CO -0.00 -0.45 -0.01 0.27 0.98 0.00 0.00 173.24 174.02 2wq4 s ILE 7 N -2.95 0.78 -0.57 -1.02 -4.36 -0.28 -4.94 121.20 107.86 2wq4 s ILE 7 Ca 0.01 -1.99 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 2wq4 s ILE 7 Cb 0.01 -2.09 0.06 0.00 1.25 0.00 0.00 42.46 41.69 2wq4 s ILE 7 CO -0.05 -0.52 0.76 1.33 0.24 0.00 0.00 174.94 176.70 2wq4 n VAL 8 N -0.24 0.23 -3.59 8.37 0.24 -1.26 -1.55 118.33 120.52 2wq4 n VAL 8 Ca -0.07 -0.62 -0.05 0.00 -2.04 0.00 0.00 64.34 61.56 2wq4 n VAL 8 Cb 0.63 0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 2wq4 n VAL 8 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wq4 s SER 9 N -0.55 -0.24 0.05 -1.34 1.04 -1.26 -1.36 113.70 110.04 2wq4 s SER 9 Ca 0.07 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.41 2wq4 s SER 9 Cb 0.04 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2wq4 s SER 9 CO 0.06 -0.56 -0.06 0.00 0.98 0.00 0.00 173.24 173.67 2wq4 s ALA 10 N -2.92 0.52 0.37 5.32 0.00 -0.57 -4.96 121.76 119.53 2wq4 s ALA 10 Ca 0.08 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 50.88 2wq4 s ALA 10 Cb -0.00 0.12 -0.11 0.00 0.00 0.00 0.00 23.12 23.12 2wq4 s ALA 10 CO -0.05 -0.14 1.50 -2.30 0.00 0.00 0.00 175.76 174.77 2wq4 n PRO 11 N 1.06 2.69 -2.24 0.00 -0.02 -1.26 -4.55 135.00 130.67 2wq4 n PRO 11 Ca -0.20 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 2wq4 n PRO 11 Cb 0.57 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 2wq4 n PRO 11 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wq4 s VAL 12 N -1.00 3.82 0.06 -1.45 1.01 -1.26 -4.88 120.40 116.69 2wq4 s VAL 12 Ca 0.54 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 2wq4 s VAL 12 Cb -0.48 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2wq4 s VAL 12 CO 0.62 -0.03 0.03 0.68 0.00 0.00 0.00 175.10 176.41 2wq4 s VAL 13 N 2.72 0.20 0.10 2.92 -7.23 -1.26 -5.08 120.40 112.77 2wq4 s VAL 13 Ca 0.63 -1.61 0.08 0.00 -1.81 0.00 0.00 61.98 59.27 2wq4 s VAL 13 Cb -0.30 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2wq4 s VAL 13 CO 0.25 -0.89 -0.15 0.42 -0.31 0.00 0.00 175.10 174.42 2wq4 s THR 14 N -3.83 3.03 -0.29 5.32 -4.23 -1.26 -4.44 115.64 109.94 2wq4 s THR 14 Ca 0.06 -1.39 -0.17 0.00 -1.18 0.00 0.00 61.69 59.01 2wq4 s THR 14 Cb 0.07 -2.39 0.12 0.00 1.34 0.00 0.00 72.50 71.64 2wq4 s THR 14 CO -0.10 0.13 0.88 -0.55 -0.54 0.00 0.00 174.62 174.44 2wq4 s SER 15 N -2.09 -0.65 0.31 3.99 0.15 -1.26 -4.99 113.70 109.15 2wq4 s SER 15 Ca 0.19 1.05 0.26 0.00 0.70 0.00 0.00 55.95 58.15 2wq4 s SER 15 Cb -0.11 1.25 0.76 0.00 -1.71 0.00 0.00 66.02 66.21 2wq4 s SER 15 CO 0.11 -0.17 1.74 1.05 1.20 0.00 0.00 173.24 177.17 2wq4 h GLU 16 N 6.19 0.00 -6.27 5.44 9.09 -1.96 0.85 114.58 127.93 2wq4 h GLU 16 Ca -0.29 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.52 2wq4 h GLU 16 Cb 1.20 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.17 2wq4 h GLU 16 CO 0.18 0.00 -0.72 0.95 0.05 0.00 0.00 179.01 179.46 2wq4 s THR 17 N -3.21 2.87 0.19 -1.06 -4.23 -1.26 -4.77 115.64 104.17 2wq4 s THR 17 Ca 0.08 -2.13 -0.32 0.00 -1.18 0.00 0.00 61.69 58.14 2wq4 s THR 17 Cb 0.10 -2.50 -0.11 0.00 1.34 0.00 0.00 72.50 71.33 2wq4 s THR 17 CO 0.58 -0.34 1.64 -0.31 -0.54 0.00 0.00 174.62 175.65 2wq4 s TYR 18 N -2.29 2.99 0.11 3.99 1.51 -1.26 -4.58 117.35 117.81 2wq4 s TYR 18 Ca 0.29 0.51 0.09 0.00 -1.01 0.00 0.00 57.07 56.95 2wq4 s TYR 18 Cb -0.06 -4.02 -0.04 0.00 -0.11 0.00 0.00 41.96 37.73 2wq4 s TYR 18 CO 0.16 -3.82 -0.22 0.14 -1.11 0.00 0.00 175.55 170.71 2wq4 s VAL 19 N 1.12 1.79 0.33 0.71 -7.23 -0.41 -4.91 120.40 111.79 2wq4 s VAL 19 Ca 0.72 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2wq4 s VAL 19 Cb -0.46 -1.62 -0.11 0.00 0.56 0.00 0.00 36.38 34.75 2wq4 s VAL 19 CO 0.32 -0.04 1.48 -1.81 -0.31 0.00 0.00 175.10 174.74 2wq4 s ASP 20 N -1.92 6.47 -0.46 4.85 1.01 -1.26 -1.19 116.67 124.16 2wq4 s ASP 20 Ca 0.07 2.90 -0.25 0.00 0.71 0.00 0.00 52.55 55.99 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 -0.80 0.90 -0.63 0.21 0.00 0.00 175.17 174.89 2wq4 s ILE 21 N -0.64 4.50 0.29 0.77 1.01 -0.50 -4.85 121.20 121.78 2wq4 s ILE 21 Ca 0.56 0.65 -0.30 0.00 0.00 0.00 0.00 60.65 61.56 2wq4 s ILE 21 Cb -0.45 -4.42 -0.12 0.00 0.01 0.00 0.00 42.46 37.48 2wq4 s ILE 21 CO 0.54 -0.83 1.55 -2.65 0.00 0.00 0.00 174.94 173.55 2wq4 n PRO 22 N 7.10 2.56 0.00 2.79 -0.02 -1.26 -1.90 135.00 144.27 2wq4 n PRO 22 Ca 0.05 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2wq4 n PRO 22 Cb 0.48 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2wq4 n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wq4 n GLY 23 N 2.08 2.37 3.23 -1.23 0.00 -1.26 -4.94 105.19 105.44 2wq4 n GLY 23 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 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 5.81 -3.72 0.99 4.77 -0.80 -4.47 117.00 119.58 2wq4 n LEU 24 Ca 0.00 -4.99 -0.12 0.00 -0.03 0.00 0.00 56.01 50.87 2wq4 n LEU 24 Cb 0.00 -1.44 -0.13 0.00 -2.33 0.00 0.00 43.42 39.52 2wq4 n LEU 24 CO 0.00 1.36 -0.10 -0.47 -1.33 0.00 0.00 177.39 176.85 2wq4 s TYR 25 N -1.22 -0.37 -0.13 -1.77 5.04 -1.26 -1.33 117.35 116.32 2wq4 s TYR 25 Ca 0.33 0.85 0.03 0.00 -2.44 0.00 0.00 57.07 55.84 2wq4 s TYR 25 Cb -0.04 0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.34 2wq4 s TYR 25 CO -0.01 -0.25 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.22 2wq4 s LEU 26 N 1.36 2.16 -0.73 6.97 1.43 0.35 -4.80 118.68 125.42 2wq4 s LEU 26 Ca -0.09 -0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 52.25 2wq4 s LEU 26 Cb -0.10 -1.45 0.11 0.00 0.03 0.00 0.00 46.19 44.77 2wq4 s LEU 26 CO -0.09 0.11 0.92 -0.62 0.23 0.00 0.00 176.35 176.90 2wq4 s ASP 27 N 0.67 6.35 0.07 2.29 -1.08 -1.26 -1.87 116.67 121.83 2wq4 s ASP 27 Ca -0.10 -1.54 -0.17 0.00 -0.52 0.00 0.00 52.55 50.22 2wq4 s ASP 27 Cb -0.16 -2.37 -0.14 0.00 -1.46 0.00 0.00 42.92 38.80 2wq4 s ASP 27 CO 0.02 -1.18 1.32 0.58 0.52 0.00 0.00 175.17 176.43 2wq4 h VAL 28 N 5.85 1.34 -0.91 1.11 2.07 -1.61 -2.85 116.25 121.24 2wq4 h VAL 28 Ca -0.13 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2wq4 h VAL 28 Cb 1.06 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 2wq4 h VAL 28 CO 1.11 0.50 0.59 0.00 0.02 0.00 0.00 177.57 179.78 2wq4 h ALA 29 N 0.59 1.31 0.00 1.67 0.00 -1.51 -2.15 119.26 119.16 2wq4 h ALA 29 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2wq4 h ALA 29 Cb 0.98 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2wq4 h ALA 29 CO 0.08 0.62 -0.24 -0.22 0.00 0.00 0.00 179.25 179.50 2wq4 h LYS 30 N 1.25 0.00 0.00 0.00 3.64 -1.81 -0.07 116.57 119.58 2wq4 h LYS 30 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2wq4 h LYS 30 Cb -0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2wq4 h LYS 30 CO -0.07 0.24 0.00 0.00 -2.27 0.00 0.00 179.45 177.35 2wq4 n ALA 31 N -2.39 2.64 -1.10 5.00 0.00 -0.85 -4.91 120.51 118.90 2wq4 n ALA 31 Ca -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 2wq4 n ALA 31 Cb 0.32 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 2wq4 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wq4 n GLY 32 N 0.89 0.66 3.51 0.00 0.00 -0.04 -5.01 105.19 105.20 2wq4 n GLY 32 Ca 0.21 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.11 5.18 0.00 -0.61 1.01 -0.98 -4.90 121.20 118.79 2wq4 s ILE 33 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2wq4 s ILE 33 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2wq4 s ILE 33 CO 0.00 -0.01 0.20 0.54 0.00 0.00 0.00 174.94 175.66 2wq4 n ARG 34 N 5.09 1.64 -0.70 2.79 3.00 -1.26 -4.05 116.66 123.17 2wq4 n ARG 34 Ca -0.13 -0.20 0.00 0.00 -0.01 0.00 0.00 57.85 57.52 2wq4 n ARG 34 Cb 0.49 -0.63 0.00 0.00 0.00 0.00 0.00 32.46 32.33 2wq4 n ARG 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2wq4 n ASP 35 N -0.29 0.00 0.00 0.55 5.68 -1.26 -4.50 116.55 116.73 2wq4 n ASP 35 Ca 0.00 -0.68 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 2wq4 n ASP 35 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 2wq4 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wq4 n GLY 36 N 0.00 -0.59 3.35 6.12 0.00 -1.26 -4.63 105.19 108.18 2wq4 n GLY 36 Ca 0.00 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 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 1.29 -0.09 1.61 1.02 0.09 -0.88 119.74 122.78 2wq4 s LYS 37 Ca 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.70 2wq4 s LYS 37 Cb 0.00 -1.66 0.02 0.00 -0.52 0.00 0.00 37.83 35.67 2wq4 s LYS 37 CO 0.00 0.39 -0.08 -0.51 -0.92 0.00 0.00 175.35 174.22 2wq4 s LEU 38 N -2.08 1.30 -0.34 3.17 1.43 -0.27 -1.12 118.68 120.77 2wq4 s LEU 38 Ca 0.12 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.70 2wq4 s LEU 38 Cb -0.10 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.35 2wq4 s LEU 38 CO 0.06 -0.07 0.83 -1.58 0.23 0.00 0.00 176.35 175.81 2wq4 s GLN 39 N 1.34 3.85 -0.15 1.70 0.74 -0.20 -1.16 119.66 125.78 2wq4 s GLN 39 Ca -0.02 0.49 -0.03 0.00 0.05 0.00 0.00 55.36 55.85 2wq4 s GLN 39 Cb -0.14 -3.78 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2wq4 s GLN 39 CO -0.04 -0.82 -0.05 0.08 -0.55 0.00 0.00 175.29 173.92 2wq4 s VAL 40 N 3.16 3.81 -0.16 1.34 1.01 0.18 -1.66 120.40 128.08 2wq4 s VAL 40 Ca 0.34 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2wq4 s VAL 40 Cb -0.13 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2wq4 s VAL 40 CO 0.16 0.50 -0.14 -0.63 0.00 0.00 0.00 175.10 174.99 2wq4 s ILE 41 N 0.32 1.64 -0.35 2.22 1.01 0.31 -1.08 121.20 125.27 2wq4 s ILE 41 Ca -0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 2wq4 s ILE 41 Cb -0.14 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 2wq4 s ILE 41 CO 0.03 0.40 0.29 -0.22 0.00 0.00 0.00 174.94 175.45 2wq4 s LEU 42 N 1.44 4.55 -0.26 2.97 2.96 0.50 -1.00 118.68 129.85 2wq4 s LEU 42 Ca 0.04 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2wq4 s LEU 42 Cb -0.14 -2.22 0.06 0.00 0.50 0.00 0.00 46.19 44.40 2wq4 s LEU 42 CO -0.10 -0.30 -0.11 0.21 -1.32 0.00 0.00 176.35 174.73 2wq4 s ASN 43 N 1.73 4.43 -0.57 3.68 3.04 0.00 -0.96 114.94 126.29 2wq4 s ASN 43 Ca 0.08 -1.39 0.04 0.00 0.04 0.00 0.00 52.86 51.63 2wq4 s ASN 43 Cb -0.17 -1.54 0.15 0.00 -1.54 0.00 0.00 41.25 38.14 2wq4 s ASN 43 CO 0.11 -0.19 0.35 -0.69 -3.04 0.00 0.00 177.10 173.64 2wq4 s VAL 44 N 1.11 2.40 -0.35 -5.21 1.01 0.38 -0.76 120.40 118.98 2wq4 s VAL 44 Ca -0.09 -3.54 0.26 0.00 0.00 0.00 0.00 61.98 58.62 2wq4 s VAL 44 Cb -0.20 -2.63 0.34 0.00 0.00 0.00 0.00 36.38 33.89 2wq4 s VAL 44 CO -0.05 -0.92 1.75 1.55 0.00 0.00 0.00 175.10 177.43 2wq4 h PRO 45 N 6.06 0.00 -0.89 2.72 0.13 -1.75 -0.27 132.00 138.00 2wq4 h PRO 45 Ca 0.04 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.80 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 0.65 0.00 -1.11 2.41 -0.23 0.00 0.00 178.00 179.72 2wq4 n THR 46 N -2.87 1.28 -2.10 1.56 -1.04 -1.26 -3.51 114.28 106.34 2wq4 n THR 46 Ca 0.03 -3.27 -0.29 0.00 -2.04 0.00 0.00 64.05 58.48 2wq4 n THR 46 Cb 0.43 0.55 0.03 0.00 -1.82 0.00 0.00 70.33 69.51 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 -3.37 3.06 0.13 -2.82 0.04 -1.26 -4.67 135.00 126.12 2wq4 s PRO 47 Ca 0.30 0.35 -0.04 0.00 0.04 0.00 0.00 61.00 61.65 2wq4 s PRO 47 Cb 0.41 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 2wq4 s PRO 47 CO -0.01 -0.78 0.14 1.52 0.04 0.00 0.00 177.00 177.91 2wq4 s TYR 48 N -3.17 0.64 0.04 0.56 -0.85 -0.82 -4.26 117.35 109.48 2wq4 s TYR 48 Ca 0.55 -1.02 0.06 0.00 -0.52 0.00 0.00 57.07 56.14 2wq4 s TYR 48 Cb -0.11 -0.30 -0.02 0.00 0.38 0.00 0.00 41.96 41.91 2wq4 s TYR 48 CO 0.50 -0.58 -0.16 0.00 -1.52 0.00 0.00 175.55 173.78 2wq4 s ALA 49 N -4.00 1.37 0.05 9.51 0.00 -1.26 -1.54 121.76 125.89 2wq4 s ALA 49 Ca 0.19 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.34 2wq4 s ALA 49 Cb 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 2wq4 s ALA 49 CO -0.00 0.29 -0.19 0.95 0.00 0.00 0.00 175.76 176.80 2wq4 s THR 50 N -0.78 2.73 -1.81 0.00 -4.23 -0.56 -4.82 115.64 106.17 2wq4 s THR 50 Ca 0.04 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 2wq4 s THR 50 Cb -0.08 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2wq4 s THR 50 CO 0.01 0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 2wq4 n GLY 51 N 1.52 -1.56 0.00 3.99 0.00 -1.26 -1.18 105.19 106.70 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 1.08 1.44 -3.01 1.61 3.02 -1.26 -4.78 115.26 113.36 2wq4 n ASN 52 Ca 0.00 -1.46 -0.14 0.00 -0.03 0.00 0.00 54.58 52.94 2wq4 n ASN 52 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.23 -2.00 -3.27 6.41 5.15 -1.17 -4.61 115.26 115.53 2wq4 n ASN 53 Ca 0.00 -2.77 -0.07 0.00 -0.60 0.00 0.00 54.58 51.13 2wq4 n ASN 53 Cb 0.12 0.75 0.00 0.00 -0.53 0.00 0.00 39.78 40.12 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 2.54 -2.72 -1.04 1.20 3.72 0.41 -4.85 117.46 116.72 2wq4 n PHE 54 Ca 0.21 1.06 -0.30 0.00 -0.05 0.00 0.00 57.45 58.36 2wq4 n PHE 54 Cb 0.54 -3.71 0.14 0.00 -0.94 0.00 0.00 39.48 35.50 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 -3.55 1.39 0.00 -1.08 0.02 -1.26 -4.61 135.00 125.91 2wq4 s PRO 55 Ca 0.01 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.17 2wq4 s PRO 55 Cb -0.00 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2wq4 s PRO 55 CO 0.79 -2.24 0.00 0.41 -0.33 0.00 0.00 177.00 175.63 2wq4 n GLY 56 N -0.65 -1.18 2.88 0.52 0.00 -1.26 -1.08 105.19 104.41 2wq4 n GLY 56 Ca 0.09 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.13 0.30 0.06 -0.61 1.01 -0.79 -2.36 121.20 116.68 2wq4 s ILE 57 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 2wq4 s ILE 57 Cb 0.00 -0.33 -0.06 0.00 0.01 0.00 0.00 42.46 42.07 2wq4 s ILE 57 CO 0.00 0.14 0.64 -0.31 0.00 0.00 0.00 174.94 175.41 2wq4 s TYR 58 N 0.61 3.78 0.09 3.97 2.02 -0.28 -2.32 117.35 125.21 2wq4 s TYR 58 Ca -0.07 1.34 0.09 0.00 -0.37 0.00 0.00 57.07 58.06 2wq4 s TYR 58 Cb -0.10 -2.62 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 2wq4 s TYR 58 CO -0.01 0.46 -0.23 -0.06 -1.57 0.00 0.00 175.55 174.15 2wq4 s PHE 59 N -0.69 1.96 0.03 2.71 0.08 0.97 -1.46 117.98 121.58 2wq4 s PHE 59 Ca 0.32 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.99 2wq4 s PHE 59 Cb -0.20 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.13 2wq4 s PHE 59 CO 0.20 0.21 -0.06 0.00 -0.10 0.00 0.00 175.22 175.47 2wq4 s ALA 60 N -1.03 0.44 -0.23 5.36 0.00 0.02 -1.04 121.76 125.27 2wq4 s ALA 60 Ca 0.09 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 2wq4 s ALA 60 Cb -0.10 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 2wq4 s ALA 60 CO 0.04 -0.06 0.14 0.42 0.00 0.00 0.00 175.76 176.30 2wq4 s ILE 61 N -1.38 5.18 0.09 0.00 1.01 -0.58 -1.04 121.20 124.47 2wq4 s ILE 61 Ca -0.12 0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.74 2wq4 s ILE 61 Cb -0.10 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 2wq4 s ILE 61 CO -0.00 0.36 -0.22 0.00 0.00 0.00 0.00 174.94 175.08 2wq4 s ALA 62 N 1.02 1.89 0.00 9.38 0.00 -0.24 -0.95 121.76 132.87 2wq4 s ALA 62 Ca 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2wq4 s ALA 62 Cb -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2wq4 s ALA 62 CO 0.04 0.40 0.00 0.25 0.00 0.00 0.00 175.76 176.45 2wq4 n THR 63 N 1.31 0.00 0.10 0.00 -2.24 -0.36 -0.85 114.28 112.25 2wq4 n THR 63 Ca -0.19 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.74 2wq4 n THR 63 Cb 0.53 0.00 0.66 0.00 -2.10 0.00 0.00 70.33 69.42 2wq4 n THR 63 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2wq4 h ASN 64 N 0.00 0.03 1.24 3.42 4.21 -1.80 -1.29 115.58 121.39 2wq4 h ASN 64 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2wq4 h ASN 64 Cb 0.00 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 2wq4 h ASN 64 CO 0.00 0.02 0.00 0.00 -1.29 0.00 0.00 177.43 176.16 2wq4 n GLN 65 N -4.45 0.18 0.00 0.81 1.13 -1.26 -5.05 117.38 108.74 2wq4 n GLN 65 Ca 0.04 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 2wq4 n GLN 65 Cb 0.38 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2wq4 n GLN 65 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wq4 n GLY 66 N 1.16 0.11 3.69 1.08 0.00 -0.49 -5.01 105.19 105.74 2wq4 n GLY 66 Ca 0.05 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 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 0.00 3.93 -0.05 1.61 1.01 -1.26 -1.22 120.40 124.41 2wq4 s VAL 67 Ca 0.00 1.30 0.18 0.00 0.00 0.00 0.00 61.98 63.46 2wq4 s VAL 67 Cb 0.00 -3.83 -0.28 0.00 0.00 0.00 0.00 36.38 32.26 2wq4 s VAL 67 CO 0.00 0.01 0.35 1.33 0.00 0.00 0.00 175.10 176.79 2wq4 n VAL 68 N 4.56 0.21 -3.57 2.92 0.24 -0.12 -4.96 118.33 117.61 2wq4 n VAL 68 Ca 0.12 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.79 2wq4 n VAL 68 Cb 0.45 -0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.72 2wq4 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wq4 s ALA 69 N -3.16 -1.85 0.22 2.33 0.00 -1.18 -5.02 121.76 113.10 2wq4 s ALA 69 Ca -0.07 1.61 -0.05 0.00 0.00 0.00 0.00 51.96 53.45 2wq4 s ALA 69 Cb 0.11 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2wq4 s ALA 69 CO 0.78 -0.33 0.27 0.16 0.00 0.00 0.00 175.76 176.64 2wq4 s ASP 70 N -0.66 0.12 0.03 0.00 1.47 -1.26 -1.53 116.67 114.84 2wq4 s ASP 70 Ca -0.04 -1.23 -0.27 0.00 1.18 0.00 0.00 52.55 52.18 2wq4 s ASP 70 Cb -0.02 0.47 0.09 0.00 -0.34 0.00 0.00 42.92 43.12 2wq4 s ASP 70 CO 0.03 -0.97 1.23 -0.83 0.68 0.00 0.00 175.17 175.31 2wq4 s GLY 71 N -3.12 -0.10 0.14 2.12 0.00 -0.21 -4.99 107.32 101.17 2wq4 s GLY 71 Ca 0.33 0.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.86 2wq4 s GLY 71 CO 0.12 4.39 0.50 0.00 0.00 0.00 0.00 173.10 178.10 2wq4 s PHE 73 N -3.71 2.71 0.01 0.00 -0.12 -0.98 -5.01 117.98 110.88 2wq4 s PHE 73 Ca 0.02 -0.17 -0.03 0.00 -0.05 0.00 0.00 56.93 56.69 2wq4 s PHE 73 Cb 0.00 -1.39 -0.01 0.00 -0.63 0.00 0.00 43.02 40.99 2wq4 s PHE 73 CO -0.12 0.45 0.05 0.95 -0.05 0.00 0.00 175.22 176.50 2wq4 s THR 74 N -1.36 0.09 0.65 -4.49 -4.23 -1.26 -1.88 115.64 103.16 2wq4 s THR 74 Ca 0.22 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 2wq4 s THR 74 Cb -0.10 -0.33 -0.01 0.00 1.34 0.00 0.00 72.50 73.39 2wq4 s THR 74 CO 0.14 -0.43 1.05 -0.31 -0.54 0.00 0.00 174.62 174.53 2wq4 s TYR 75 N -1.37 3.18 -2.61 3.99 2.02 -0.24 -4.99 117.35 117.33 2wq4 s TYR 75 Ca -0.15 1.43 0.24 0.00 -0.37 0.00 0.00 57.07 58.21 2wq4 s TYR 75 Cb -0.09 -2.88 0.39 0.00 -0.40 0.00 0.00 41.96 38.99 2wq4 s TYR 75 CO 0.00 -1.07 1.38 0.43 -1.57 0.00 0.00 175.55 174.72 2wq4 n SER 76 N -2.74 3.26 -4.37 2.29 7.64 -1.26 -4.69 113.62 113.75 2wq4 n SER 76 Ca 0.07 -1.98 -0.27 0.00 1.01 0.00 0.00 58.87 57.71 2wq4 n SER 76 Cb 0.53 -0.18 -0.12 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.63 3.11 0.06 6.43 0.01 -1.26 -5.06 113.70 115.36 2wq4 s SER 77 Ca 0.36 -0.77 -0.21 0.00 1.31 0.00 0.00 55.95 56.63 2wq4 s SER 77 Cb 0.22 -0.20 -0.13 0.00 0.21 0.00 0.00 66.02 66.12 2wq4 s SER 77 CO 0.31 0.12 1.49 0.50 0.41 0.00 0.00 173.24 176.07 2wq4 h LYS 78 N 3.70 0.24 -3.39 12.44 3.64 -1.93 -3.34 116.57 127.92 2wq4 h LYS 78 Ca -0.48 -0.07 -0.61 0.00 -1.27 0.00 0.00 60.65 58.21 2wq4 h LYS 78 Cb 1.18 -0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.58 2wq4 h LYS 78 CO 0.42 0.47 -0.73 0.08 -2.27 0.00 0.00 179.45 177.43 2wq4 s VAL 79 N -5.00 1.54 0.32 2.00 1.01 -1.26 -0.45 120.40 118.56 2wq4 s VAL 79 Ca -0.14 -2.35 -0.28 0.00 0.00 0.00 0.00 61.98 59.21 2wq4 s VAL 79 Cb 0.06 -2.10 -0.13 0.00 0.00 0.00 0.00 36.38 34.20 2wq4 s VAL 79 CO 0.71 -0.79 1.16 -2.65 0.00 0.00 0.00 175.10 173.52 2wq4 n PRO 80 N 3.89 1.76 -0.19 2.72 -0.02 -1.26 -4.88 135.00 137.01 2wq4 n PRO 80 Ca 0.05 0.62 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 2wq4 n PRO 80 Cb 0.37 -2.10 0.10 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.26 0.40 -4.03 -0.52 4.81 -1.99 -3.40 114.58 112.10 2wq4 h GLU 81 Ca -0.43 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.50 2wq4 h GLU 81 Cb 1.31 -0.09 -0.28 0.00 0.63 0.00 0.00 28.75 30.32 2wq4 h GLU 81 CO 0.61 0.27 -0.73 0.45 -0.73 0.00 0.00 179.01 178.87 2wq4 s SER 82 N -5.40 0.31 -0.83 1.04 0.15 -1.26 -5.09 113.70 102.62 2wq4 s SER 82 Ca -0.13 -0.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 2wq4 s SER 82 Cb 0.16 -0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 2wq4 s SER 82 CO 0.74 0.01 1.28 0.42 1.20 0.00 0.00 173.24 176.89 2wq4 s THR 83 N -0.17 3.92 0.82 6.45 -4.23 -1.26 -4.99 115.64 116.18 2wq4 s THR 83 Ca -0.00 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.23 2wq4 s THR 83 Cb -0.02 -4.92 0.09 0.00 1.34 0.00 0.00 72.50 68.99 2wq4 s THR 83 CO -0.00 -1.81 1.09 -0.83 -0.54 0.00 0.00 174.62 172.53 2wq4 s GLY 84 N 4.10 1.63 0.77 3.99 0.00 -1.26 -4.81 107.32 111.74 2wq4 s GLY 84 Ca 0.37 -0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.86 2wq4 s GLY 84 CO 0.05 0.34 1.05 0.54 0.00 0.00 0.00 173.10 175.08 2wq4 n ARG 85 N -3.58 -0.95 -3.89 2.90 5.12 -1.26 -4.62 116.66 110.37 2wq4 n ARG 85 Ca 0.07 -1.71 -0.12 0.00 -1.93 0.00 0.00 57.85 54.16 2wq4 n ARG 85 Cb 0.55 -1.06 -0.14 0.00 -1.16 0.00 0.00 32.46 30.66 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 -5.28 0.03 -0.03 5.56 0.02 -1.23 -4.94 135.00 129.12 2wq4 s PRO 87 Ca 0.60 -0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.61 2wq4 s PRO 87 Cb -0.02 -0.02 0.03 0.00 0.02 0.00 0.00 34.50 34.51 2wq4 s PRO 87 CO 0.42 0.01 0.01 0.12 -0.33 0.00 0.00 177.00 177.23 2wq4 s PHE 88 N -0.02 0.27 -0.02 6.54 5.36 -0.11 -4.99 117.98 125.02 2wq4 s PHE 88 Ca 0.00 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.02 2wq4 s PHE 88 Cb -0.00 -0.41 0.00 0.00 -0.34 0.00 0.00 43.02 42.27 2wq4 s PHE 88 CO -0.00 -0.14 -0.07 0.99 -1.46 0.00 0.00 175.22 174.54 2wq4 s THR 89 N 1.17 0.58 -0.07 0.12 2.01 -1.26 -0.47 115.64 117.73 2wq4 s THR 89 Ca -0.08 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.66 2wq4 s THR 89 Cb -0.13 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 71.88 2wq4 s THR 89 CO -0.02 0.18 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.78 2wq4 s LEU 90 N 0.10 1.46 -0.07 4.42 2.96 -0.14 -5.00 118.68 122.42 2wq4 s LEU 90 Ca -0.01 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2wq4 s LEU 90 Cb -0.06 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.89 2wq4 s LEU 90 CO -0.00 -0.02 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.12 2wq4 s VAL 91 N 0.93 2.54 -0.08 1.68 1.01 -1.26 -0.37 120.40 124.84 2wq4 s VAL 91 Ca -0.10 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 2wq4 s VAL 91 Cb -0.15 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.29 2wq4 s VAL 91 CO 0.01 0.57 0.20 0.00 0.00 0.00 0.00 175.10 175.88 2wq4 s ALA 92 N -0.21 -0.47 -0.21 5.51 0.00 -0.24 -5.00 121.76 121.14 2wq4 s ALA 92 Ca -0.01 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 52.62 2wq4 s ALA 92 Cb -0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2wq4 s ALA 92 CO 0.03 -0.14 0.02 0.99 0.00 0.00 0.00 175.76 176.66 2wq4 s THR 93 N 0.69 4.05 0.15 0.00 2.01 -1.26 -0.64 115.64 120.63 2wq4 s THR 93 Ca -0.05 -0.28 0.09 0.00 0.31 0.00 0.00 61.69 61.77 2wq4 s THR 93 Cb -0.06 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2wq4 s THR 93 CO -0.04 0.41 -0.21 0.27 -0.69 0.00 0.00 174.62 174.36 2wq4 s ILE 94 N 1.16 1.93 -0.14 1.82 -4.36 -0.31 -4.94 121.20 116.36 2wq4 s ILE 94 Ca 0.03 -1.84 -0.26 0.00 -0.26 0.00 0.00 60.65 58.32 2wq4 s ILE 94 Cb -0.14 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.71 2wq4 s ILE 94 CO 0.02 -0.19 0.85 -0.62 0.24 0.00 0.00 174.94 175.24 2wq4 s ASP 95 N -2.45 7.02 -0.64 4.36 2.15 -1.26 -1.11 116.67 124.75 2wq4 s ASP 95 Ca 0.14 1.25 -0.27 0.00 0.43 0.00 0.00 52.55 54.10 2wq4 s ASP 95 Cb -0.07 -2.47 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 2wq4 s ASP 95 CO 0.07 -0.38 1.49 -0.69 -0.17 0.00 0.00 175.17 175.49 2wq4 s VAL 96 N 1.97 3.65 0.63 1.11 1.01 -0.06 -4.94 120.40 123.77 2wq4 s VAL 96 Ca 0.40 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 2wq4 s VAL 96 Cb -0.17 -4.47 0.06 0.00 0.00 0.00 0.00 36.38 31.80 2wq4 s VAL 96 CO 0.14 -1.34 0.90 -0.83 0.00 0.00 0.00 175.10 173.97 2wq4 s GLY 97 N 5.16 1.77 0.45 4.51 0.00 -1.26 -3.99 107.32 113.95 2wq4 s GLY 97 Ca 0.50 -1.22 0.20 0.00 0.00 0.00 0.00 44.72 44.21 2wq4 s GLY 97 CO 0.20 -0.85 1.88 1.48 0.00 0.00 0.00 173.10 175.81 2wq4 h SER 98 N -0.27 0.31 -0.34 1.64 4.64 -1.93 -0.81 113.55 116.78 2wq4 h SER 98 Ca -0.42 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2wq4 h SER 98 Cb 1.30 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2wq4 h SER 98 CO 0.54 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 2wq4 n GLY 99 N -1.56 0.94 3.45 -0.77 0.00 -1.26 -4.82 105.19 101.16 2wq4 n GLY 99 Ca 0.18 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.55 4.93 0.00 1.61 1.01 -0.31 -4.53 120.40 121.55 2wq4 s VAL 100 Ca 0.33 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2wq4 s VAL 100 Cb 0.18 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2wq4 s VAL 100 CO 0.25 -0.14 0.04 0.35 0.00 0.00 0.00 175.10 175.60 2wq4 n THR 101 N 5.06 0.00 -3.80 3.92 -2.24 -1.26 -4.69 114.28 111.27 2wq4 n THR 101 Ca -0.12 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 2wq4 n THR 101 Cb 0.48 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.87 0.07 0.01 4.78 -0.12 -1.26 -1.48 117.98 119.11 2wq4 s PHE 102 Ca 0.00 -0.43 0.03 0.00 -0.05 0.00 0.00 56.93 56.48 2wq4 s PHE 102 Cb 0.00 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 2wq4 s PHE 102 CO 0.00 -0.74 -0.08 0.08 -0.05 0.00 0.00 175.22 174.43 2wq4 s VAL 103 N -3.88 0.61 0.10 -2.49 1.01 -0.78 -4.16 120.40 110.81 2wq4 s VAL 103 Ca 0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 2wq4 s VAL 103 Cb 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.83 2wq4 s VAL 103 CO -0.06 -0.02 0.22 -1.59 0.00 0.00 0.00 175.10 173.65 2wq4 s LYS 104 N -0.69 0.89 -0.04 2.72 -2.85 -0.03 -0.50 119.74 119.24 2wq4 s LYS 104 Ca -0.01 -0.94 -0.09 0.00 -1.00 0.00 0.00 55.97 53.94 2wq4 s LYS 104 Cb -0.05 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 2wq4 s LYS 104 CO 0.00 -0.29 0.25 0.20 0.10 0.00 0.00 175.35 175.61 2wq4 s GLY 105 N -2.86 2.27 0.15 0.59 0.00 -0.44 -1.07 107.32 105.96 2wq4 s GLY 105 Ca 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.26 2wq4 s GLY 105 CO -0.11 -0.27 0.00 1.20 0.00 0.00 0.00 173.10 173.93 2wq4 s GLN 106 N -1.34 1.02 0.09 2.90 -0.21 -0.21 -1.41 119.66 120.51 2wq4 s GLN 106 Ca 0.22 -1.48 -0.11 0.00 0.02 0.00 0.00 55.36 54.01 2wq4 s GLN 106 Cb -0.14 -0.15 0.01 0.00 1.00 0.00 0.00 33.01 33.73 2wq4 s GLN 106 CO 0.11 -0.14 0.25 1.67 -2.12 0.00 0.00 175.29 175.07 2wq4 s TRP 107 N -3.73 0.03 0.09 0.91 -2.14 -0.33 -0.80 118.94 112.97 2wq4 s TRP 107 Ca 0.22 -0.40 -0.14 0.00 2.66 0.00 0.00 56.10 58.44 2wq4 s TRP 107 Cb 0.06 0.04 0.02 0.00 -3.10 0.00 0.00 33.47 30.50 2wq4 s TRP 107 CO 0.02 -0.57 0.34 -1.59 -2.66 0.00 0.00 176.95 172.49 2wq4 s LYS 108 N -3.66 0.95 0.44 3.25 -2.85 -0.53 -1.29 119.74 116.04 2wq4 s LYS 108 Ca 0.03 -0.66 -0.24 0.00 -1.00 0.00 0.00 55.97 54.10 2wq4 s LYS 108 Cb 0.03 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 36.14 2wq4 s LYS 108 CO -0.10 -0.34 1.20 -1.12 0.10 0.00 0.00 175.35 175.09 2wq4 s SER 109 N -2.52 6.25 -0.27 0.03 0.01 0.29 -1.13 113.70 116.35 2wq4 s SER 109 Ca 0.00 2.41 -0.12 0.00 1.31 0.00 0.00 55.95 59.55 2wq4 s SER 109 Cb 0.01 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2wq4 s SER 109 CO -0.08 -0.87 0.26 -0.69 0.41 0.00 0.00 173.24 172.26 2wq4 s VAL 110 N -1.44 5.26 -1.39 3.43 1.01 -1.00 -4.65 120.40 121.63 2wq4 s VAL 110 Ca 0.61 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.87 2wq4 s VAL 110 Cb -0.32 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.50 2wq4 s VAL 110 CO 0.39 0.23 0.72 0.54 0.00 0.00 0.00 175.10 176.98 2wq4 n ARG 111 N 5.06 -4.72 -0.99 2.72 1.74 -1.26 -1.90 116.66 117.30 2wq4 n ARG 111 Ca -0.12 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2wq4 n ARG 111 Cb 0.52 -5.14 0.00 0.00 -1.02 0.00 0.00 32.46 26.82 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 -1.67 0.68 3.76 -0.13 0.00 -1.26 -4.66 105.19 101.91 2wq4 n GLY 112 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2wq4 n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wq4 s SER 113 N -2.39 5.91 0.76 1.61 1.04 -0.80 -4.92 113.70 114.92 2wq4 s SER 113 Ca 0.00 2.76 -0.02 0.00 0.48 0.00 0.00 55.95 59.18 2wq4 s SER 113 Cb 0.00 -2.64 0.03 0.00 0.10 0.00 0.00 66.02 63.51 2wq4 s SER 113 CO 0.00 -1.13 0.20 0.00 0.98 0.00 0.00 173.24 173.29 2wq4 n ALA 114 N -0.28 -0.13 0.00 5.32 0.00 -0.32 -4.54 120.51 120.56 2wq4 n ALA 114 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2wq4 n ALA 114 Cb 0.43 0.02 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 -2.01 0.00 -3.98 0.00 8.25 -0.59 -1.49 115.22 115.39 2wq4 n HIS 116 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 2wq4 n HIS 116 Cb 0.10 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.04 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 1.43 -0.06 1.59 1.01 -1.26 -1.95 121.20 121.95 2wq4 s ILE 117 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.17 2wq4 s ILE 117 Cb 0.00 -1.38 0.14 0.00 0.01 0.00 0.00 42.46 41.23 2wq4 s ILE 117 CO 0.00 0.40 1.06 -0.90 0.00 0.00 0.00 174.94 175.50 2wq4 n ASP 118 N 4.81 1.22 -1.89 3.58 5.75 -1.26 -1.51 116.55 127.25 2wq4 n ASP 118 Ca -0.15 -2.51 -0.05 0.00 -0.01 0.00 0.00 54.79 52.07 2wq4 n ASP 118 Cb 0.50 -0.30 0.01 0.00 -1.03 0.00 0.00 41.12 40.30 2wq4 n ASP 118 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2wq4 n SER 119 N -0.73 -1.12 -4.59 -1.12 3.41 -0.46 -4.72 113.62 104.29 2wq4 n SER 119 Ca 0.08 -1.80 -0.48 0.00 -0.26 0.00 0.00 58.87 56.41 2wq4 n SER 119 Cb 0.65 1.87 -0.04 0.00 -0.26 0.00 0.00 64.21 66.44 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 -0.27 1.40 -3.80 7.33 9.36 -1.25 -4.07 117.16 125.87 2wq4 n TYR 120 Ca -0.04 0.65 -0.11 0.00 3.32 0.00 0.00 57.90 61.72 2wq4 n TYR 120 Cb 0.29 -2.30 -0.08 0.00 -0.63 0.00 0.00 39.34 36.63 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 -0.18 -0.50 0.06 2.98 0.00 -0.60 -4.29 121.76 119.23 2wq4 s ALA 121 Ca 0.72 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 2wq4 s ALA 121 Cb -0.83 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 2wq4 s ALA 121 CO 0.52 -0.41 0.11 -1.54 0.00 0.00 0.00 175.76 174.44 2wq4 s SER 122 N -2.20 0.20 -0.10 0.00 1.04 0.06 -1.12 113.70 111.58 2wq4 s SER 122 Ca -0.03 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.76 2wq4 s SER 122 Cb -0.00 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.40 2wq4 s SER 122 CO -0.05 -0.60 -0.09 -0.22 0.98 0.00 0.00 173.24 173.26 2wq4 s LEU 123 N -2.50 1.35 0.10 2.42 2.96 0.28 -0.82 118.68 122.48 2wq4 s LEU 123 Ca 0.00 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.67 2wq4 s LEU 123 Cb 0.02 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 2wq4 s LEU 123 CO -0.08 -0.07 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.30 2wq4 s SER 124 N 1.33 1.97 -0.10 3.68 0.01 -0.17 -0.84 113.70 119.59 2wq4 s SER 124 Ca -0.02 -0.71 -0.10 0.00 1.31 0.00 0.00 55.95 56.43 2wq4 s SER 124 Cb -0.14 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.05 2wq4 s SER 124 CO -0.04 -0.08 0.29 0.00 0.41 0.00 0.00 173.24 173.82 2wq4 s ALA 125 N -1.61 -0.73 -0.10 1.44 0.00 -0.25 -0.53 121.76 119.99 2wq4 s ALA 125 Ca 0.04 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2wq4 s ALA 125 Cb -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2wq4 s ALA 125 CO 0.03 -0.15 -0.21 0.42 0.00 0.00 0.00 175.76 175.85 2wq4 s ILE 126 N 0.05 1.85 0.32 0.00 1.01 -0.67 -0.60 121.20 123.17 2wq4 s ILE 126 Ca -0.01 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 2wq4 s ILE 126 Cb -0.02 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.73 2wq4 s ILE 126 CO 0.01 0.51 0.81 0.86 0.00 0.00 0.00 174.94 177.13 2wq4 s TRP 127 N 0.48 3.49 0.30 3.97 -0.00 -0.78 -1.04 118.94 125.36 2wq4 s TRP 127 Ca -0.16 1.44 -0.17 0.00 -0.00 0.00 0.00 56.10 57.21 2wq4 s TRP 127 Cb -0.17 -2.69 0.02 0.00 -0.00 0.00 0.00 33.47 30.63 2wq4 s TRP 127 CO 0.06 0.13 0.67 0.20 -0.00 0.00 0.00 176.95 178.02 2wq4 s GLY 128 N -1.97 0.24 0.24 5.86 0.00 -0.28 -4.65 107.32 106.76 2wq4 s GLY 128 Ca 0.52 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 44.61 2wq4 s GLY 128 CO 0.18 -0.31 0.46 -0.51 0.00 0.00 0.00 173.10 172.93 2wq4 s THR 129 N -3.54 5.12 0.34 0.90 -4.23 -1.26 -0.73 115.64 112.24 2wq4 s THR 129 Ca 0.16 -0.16 0.14 0.00 -1.18 0.00 0.00 61.69 60.65 2wq4 s THR 129 Cb -0.04 -3.73 0.09 0.00 1.34 0.00 0.00 72.50 70.16 2wq4 s THR 129 CO 0.09 -0.23 1.81 0.00 -0.54 0.00 0.00 174.62 175.75 2wq4 h ALA 130 N 1.90 1.29 0.00 3.99 0.00 -1.96 -3.46 119.26 121.01 2wq4 h ALA 130 Ca -0.48 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2wq4 h ALA 130 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wq4 h ALA 130 CO 0.67 0.48 0.00 0.00 0.00 0.00 0.00 179.25 180.41