#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww9 s ALA 2 N 0.00 2.64 0.17 3.04 0.00 -1.26 -5.04 121.76 121.32 2ww9 s ALA 2 Ca 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 2ww9 s ALA 2 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 2ww9 s ALA 2 CO 0.00 -0.90 0.53 0.21 0.00 0.00 0.00 175.76 175.60 2ww9 s LYS 3 N -3.34 3.87 0.64 0.00 2.20 -1.26 -5.10 119.74 116.75 2ww9 s LYS 3 Ca 0.74 0.35 -0.16 0.00 -0.36 0.00 0.00 55.97 56.54 2ww9 s LYS 3 Cb -0.25 -2.82 -0.01 0.00 -1.51 0.00 0.00 37.83 33.24 2ww9 s LYS 3 CO 0.29 0.42 1.11 1.14 -0.36 0.00 0.00 175.35 177.95 2ww9 s GLN 4 N -2.33 2.94 -0.02 4.03 -2.07 -1.26 -4.89 119.66 116.06 2ww9 s GLN 4 Ca 0.41 1.40 -0.19 0.00 -1.82 0.00 0.00 55.36 55.17 2ww9 s GLN 4 Cb -0.13 -1.97 0.04 0.00 -1.09 0.00 0.00 33.01 29.86 2ww9 s GLN 4 CO 0.20 -1.14 0.41 0.45 -1.32 0.00 0.00 175.29 173.88 2ww9 s SER 5 N -2.49 -0.31 0.03 12.60 0.15 -1.26 -5.14 113.70 117.28 2ww9 s SER 5 Ca 0.67 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2ww9 s SER 5 Cb -0.20 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2ww9 s SER 5 CO 0.39 -0.51 0.00 -0.11 1.20 0.00 0.00 173.24 174.21 2ww9 n LEU 6 N 1.09 -0.31 -4.69 3.45 7.94 -1.26 -5.08 117.00 118.15 2ww9 n LEU 6 Ca -0.21 0.08 -0.42 0.00 -1.11 0.00 0.00 56.01 54.35 2ww9 n LEU 6 Cb 0.57 0.60 -0.03 0.00 0.53 0.00 0.00 43.42 45.09 2ww9 n LEU 6 CO 0.22 -0.28 1.00 -0.62 -1.11 0.00 0.00 177.39 176.60 2ww9 s ASP 7 N -1.10 7.00 -0.89 1.96 -1.08 -1.26 -4.95 116.67 116.35 2ww9 s ASP 7 Ca 0.00 1.90 0.01 0.00 -0.52 0.00 0.00 52.55 53.93 2ww9 s ASP 7 Cb 0.00 -2.56 0.31 0.00 -1.46 0.00 0.00 42.92 39.21 2ww9 s ASP 7 CO 0.00 -0.62 1.40 0.52 0.52 0.00 0.00 175.17 176.99 2ww9 n VAL 8 N 4.61 4.75 -3.27 1.11 0.31 -1.26 -4.93 118.33 119.65 2ww9 n VAL 8 Ca 0.11 -5.79 -0.42 0.00 -0.01 0.00 0.00 64.34 58.24 2ww9 n VAL 8 Cb 0.45 -1.71 -0.08 0.00 -0.91 0.00 0.00 33.84 31.59 2ww9 n VAL 8 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2ww9 s SER 9 N -2.10 6.26 0.05 4.52 0.01 -1.26 -5.02 113.70 116.17 2ww9 s SER 9 Ca 0.40 -0.31 -0.15 0.00 1.31 0.00 0.00 55.95 57.19 2ww9 s SER 9 Cb 0.17 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 64.09 2ww9 s SER 9 CO -0.06 -0.54 1.25 -1.28 0.41 0.00 0.00 173.24 173.02 2ww9 h SER 10 N 8.61 -0.80 0.00 2.44 0.87 -2.01 -3.43 113.55 119.24 2ww9 h SER 10 Ca -0.27 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2ww9 h SER 10 Cb 1.12 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2ww9 h SER 10 CO 0.79 -0.21 0.00 -0.67 -0.53 0.00 0.00 176.83 176.21 2ww9 n ASP 11 N -3.87 0.00 0.03 6.23 -0.08 -1.26 -4.95 116.55 112.64 2ww9 n ASP 11 Ca -0.03 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.39 2ww9 n ASP 11 Cb 0.17 0.00 0.45 0.00 2.34 0.00 0.00 41.12 44.08 2ww9 n ASP 11 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2ww9 n ARG 12 N -0.99 0.08 0.01 -0.67 3.00 -1.26 -2.86 116.66 113.97 2ww9 n ARG 12 Ca 0.00 0.05 -0.05 0.00 -0.00 0.00 0.00 57.85 57.85 2ww9 n ARG 12 Cb 0.00 -1.58 0.15 0.00 0.00 0.00 0.00 32.46 31.03 2ww9 n ARG 12 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2ww9 h ARG 13 N 0.00 0.50 -0.56 -0.14 2.43 -1.97 -1.58 114.38 113.07 2ww9 h ARG 13 Ca 0.00 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 58.85 2ww9 h ARG 13 Cb 0.57 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2ww9 h ARG 13 CO 0.00 0.79 0.02 -0.22 -1.51 0.00 0.00 179.97 179.05 2ww9 h LYS 14 N 0.42 0.96 -0.46 0.20 1.63 -1.81 -1.21 116.57 116.30 2ww9 h LYS 14 Ca 0.05 -0.28 -0.10 0.00 -0.85 0.00 0.00 60.65 59.47 2ww9 h LYS 14 Cb 0.82 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.33 2ww9 h LYS 14 CO 0.07 0.94 -0.11 0.00 -3.45 0.00 0.00 179.45 176.90 2ww9 h ALA 15 N 1.12 0.94 0.00 5.00 0.00 -1.58 -3.04 119.26 121.71 2ww9 h ALA 15 Ca 0.17 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2ww9 h ALA 15 Cb 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2ww9 h ALA 15 CO 0.02 0.62 -0.38 0.00 0.00 0.00 0.00 179.25 179.52 2ww9 h ARG 16 N 0.75 0.00 -0.52 0.00 3.08 -0.95 -1.75 114.38 114.99 2ww9 h ARG 16 Ca 0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 2ww9 h ARG 16 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2ww9 h ARG 16 CO 0.04 0.38 -0.04 0.87 -1.07 0.00 0.00 179.97 180.14 2ww9 h LYS 17 N 0.00 0.91 -0.30 0.04 1.57 -1.12 -1.35 116.57 116.33 2ww9 h LYS 17 Ca -0.00 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.40 2ww9 h LYS 17 Cb 0.78 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2ww9 h LYS 17 CO 0.05 0.93 -0.16 0.00 -0.57 0.00 0.00 179.45 179.70 2ww9 h ALA 18 N 1.11 0.42 -0.46 3.86 0.00 -1.42 -2.83 119.26 119.95 2ww9 h ALA 18 Ca 0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2ww9 h ALA 18 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2ww9 h ALA 18 CO 0.03 0.33 -0.22 1.88 0.00 0.00 0.00 179.25 181.27 2ww9 h TYR 19 N 0.39 1.11 0.00 0.00 0.05 -1.16 -3.40 116.97 113.96 2ww9 h TYR 19 Ca 0.06 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.57 2ww9 h TYR 19 Cb 0.69 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2ww9 h TYR 19 CO 0.06 1.09 -0.82 1.19 -1.05 0.00 0.00 178.16 178.63 2ww9 n PHE 20 N -4.14 0.00 -3.58 4.88 3.01 -0.52 -4.92 117.46 112.19 2ww9 n PHE 20 Ca -0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 2ww9 n PHE 20 Cb 0.46 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.89 2ww9 n PHE 20 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2ww9 s THR 21 N -1.71 5.13 0.00 4.37 2.01 -1.07 -4.81 115.64 119.57 2ww9 s THR 21 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2ww9 s THR 21 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2ww9 s THR 21 CO 0.00 -0.13 0.00 0.00 -0.69 0.00 0.00 174.62 173.80 2ww9 n ALA 22 N -0.44 -0.39 -0.86 7.40 0.00 -1.26 -4.63 120.51 120.33 2ww9 n ALA 22 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 2ww9 n ALA 22 Cb 0.53 -0.33 0.02 0.00 0.00 0.00 0.00 19.45 19.67 2ww9 n ALA 22 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ww9 n PRO 23 N -1.04 0.00 0.00 0.00 -0.02 -1.26 -3.43 135.00 129.25 2ww9 n PRO 23 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2ww9 n PRO 23 Cb 0.35 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 2ww9 n PRO 23 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ww9 n SER 24 N 3.06 0.00 -1.28 2.55 7.64 -1.26 -1.81 113.62 122.52 2ww9 n SER 24 Ca -0.01 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.98 2ww9 n SER 24 Cb 0.55 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 64.06 2ww9 n SER 24 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ww9 n SER 25 N -2.90 3.71 -0.04 6.43 7.64 -1.26 -1.73 113.62 125.47 2ww9 n SER 25 Ca 0.00 -2.00 0.01 0.00 1.01 0.00 0.00 58.87 57.89 2ww9 n SER 25 Cb 0.00 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 62.75 2ww9 n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ww9 n GLN 26 N 1.53 1.79 0.00 1.43 6.02 -0.75 -4.19 117.38 123.21 2ww9 n GLN 26 Ca 0.23 -1.34 0.13 0.00 -0.01 0.00 0.00 57.00 56.02 2ww9 n GLN 26 Cb 0.59 -0.90 0.41 0.00 1.02 0.00 0.00 30.24 31.35 2ww9 n GLN 26 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ww9 n ARG 27 N -0.45 1.20 -0.09 -1.09 5.12 -1.02 -3.86 116.66 116.46 2ww9 n ARG 27 Ca 0.02 -0.73 -0.01 0.00 -1.93 0.00 0.00 57.85 55.19 2ww9 n ARG 27 Cb 0.40 -1.48 0.24 0.00 -1.16 0.00 0.00 32.46 30.45 2ww9 n ARG 27 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2ww9 h ARG 28 N 1.79 0.74 -0.57 5.56 1.12 -1.50 0.18 114.38 121.70 2ww9 h ARG 28 Ca 0.00 -0.14 -0.09 0.00 -1.11 0.00 0.00 59.98 58.64 2ww9 h ARG 28 Cb 0.53 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.35 2ww9 h ARG 28 CO 0.00 0.66 -0.02 0.28 -3.11 0.00 0.00 179.97 177.79 2ww9 h VAL 29 N 0.72 1.26 -0.40 0.20 2.07 -1.84 -3.07 116.25 115.18 2ww9 h VAL 29 Ca 0.16 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2ww9 h VAL 29 Cb 0.26 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2ww9 h VAL 29 CO -0.00 0.41 0.00 0.18 0.02 0.00 0.00 177.57 178.18 2ww9 n LEU 30 N -4.18 3.42 -0.40 2.57 4.77 -0.84 -3.37 117.00 118.97 2ww9 n LEU 30 Ca 0.03 -1.49 0.04 0.00 -0.03 0.00 0.00 56.01 54.57 2ww9 n LEU 30 Cb 0.35 -0.26 0.11 0.00 -2.33 0.00 0.00 43.42 41.29 2ww9 n LEU 30 CO 0.44 0.74 0.59 0.18 -1.33 0.00 0.00 177.39 178.01 2ww9 n LEU 31 N 1.46 2.67 -4.84 2.23 4.77 0.59 -4.62 117.00 119.25 2ww9 n LEU 31 Ca 0.20 -2.21 -0.35 0.00 -0.03 0.00 0.00 56.01 53.61 2ww9 n LEU 31 Cb 0.60 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 2ww9 n LEU 31 CO 0.16 0.64 0.29 -0.94 -1.33 0.00 0.00 177.39 176.21 2ww9 s SER 32 N -1.27 6.86 0.00 -1.43 1.04 -1.16 -2.23 113.70 115.50 2ww9 s SER 32 Ca 0.18 1.16 0.01 0.00 0.48 0.00 0.00 55.95 57.78 2ww9 s SER 32 Cb 0.12 -2.32 -0.01 0.00 0.10 0.00 0.00 66.02 63.92 2ww9 s SER 32 CO 0.08 0.06 -0.03 0.00 0.98 0.00 0.00 173.24 174.33 2ww9 s ALA 33 N -1.53 0.25 0.40 5.32 0.00 -1.21 -4.27 121.76 120.72 2ww9 s ALA 33 Ca 0.40 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 2ww9 s ALA 33 Cb -0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 23.12 22.83 2ww9 s ALA 33 CO 0.20 0.03 1.00 -0.35 0.00 0.00 0.00 175.76 176.64 2ww9 n PRO 34 N 2.79 1.34 -1.65 0.00 -0.04 -1.26 -3.32 135.00 132.85 2ww9 n PRO 34 Ca -0.14 0.48 -0.29 0.00 -0.04 0.00 0.00 63.50 63.51 2ww9 n PRO 34 Cb 0.58 -2.01 0.16 0.00 -0.04 0.00 0.00 33.50 32.19 2ww9 n PRO 34 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ww9 s LEU 35 N -0.34 2.12 0.00 1.53 1.43 -0.78 -2.23 118.68 120.41 2ww9 s LEU 35 Ca 0.62 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 2ww9 s LEU 35 Cb -0.58 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 42.76 2ww9 s LEU 35 CO 0.57 -2.70 0.00 -1.54 0.23 0.00 0.00 176.35 172.92 2ww9 n SER 36 N -3.82 0.00 0.00 2.29 3.41 -1.26 -4.83 113.62 109.42 2ww9 n SER 36 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2ww9 n SER 36 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2ww9 n SER 36 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2ww9 n LYS 37 N 0.00 2.81 0.11 4.33 0.00 -1.26 -4.27 118.16 119.88 2ww9 n LYS 37 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2ww9 n LYS 37 Cb 0.00 -0.68 -0.15 0.00 -0.00 0.00 0.00 35.03 34.19 2ww9 n LYS 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2ww9 h GLU 38 N 0.00 0.47 -0.00 -1.58 3.07 -1.99 -3.08 114.58 111.46 2ww9 h GLU 38 Ca 0.00 -0.80 0.00 0.00 -0.50 0.00 0.00 59.36 58.06 2ww9 h GLU 38 Cb 0.00 0.30 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2ww9 h GLU 38 CO 0.00 1.38 -0.70 1.28 -1.40 0.00 0.00 179.01 179.57 2ww9 n LEU 39 N -3.65 1.08 -0.07 1.33 4.32 -1.26 -2.50 117.00 116.24 2ww9 n LEU 39 Ca -0.20 -0.40 -0.15 0.00 -0.02 0.00 0.00 56.01 55.24 2ww9 n LEU 39 Cb 1.09 -0.07 -0.05 0.00 -1.62 0.00 0.00 43.42 42.77 2ww9 n LEU 39 CO 0.56 0.24 0.41 0.03 -1.22 0.00 0.00 177.39 177.42 2ww9 h ARG 40 N 0.59 0.83 -0.28 3.23 3.08 -1.74 -3.21 114.38 116.88 2ww9 h ARG 40 Ca 0.00 -0.55 -0.14 0.00 0.07 0.00 0.00 59.98 59.36 2ww9 h ARG 40 Cb 0.55 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2ww9 h ARG 40 CO 0.00 1.18 -0.38 0.00 -1.07 0.00 0.00 179.97 179.70 2ww9 h ALA 41 N 0.65 0.81 -0.73 0.04 0.00 -1.50 0.01 119.26 118.54 2ww9 h ALA 41 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2ww9 h ALA 41 Cb 1.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2ww9 h ALA 41 CO 0.12 0.65 0.24 0.37 0.00 0.00 0.00 179.25 180.64 2ww9 h GLN 42 N 0.54 1.13 -0.00 0.00 4.15 -1.55 -3.27 115.11 116.10 2ww9 h GLN 42 Ca 0.05 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2ww9 h GLN 42 Cb 0.90 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.42 2ww9 h GLN 42 CO 0.08 0.95 -0.05 0.66 -1.93 0.00 0.00 178.83 178.55 2ww9 n TYR 43 N -4.29 0.00 -0.99 3.99 4.01 -1.21 -5.02 117.16 113.65 2ww9 n TYR 43 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2ww9 n TYR 43 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2ww9 n TYR 43 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ww9 n GLY 44 N 0.60 0.61 0.00 2.72 0.00 -0.02 -4.99 105.19 104.11 2ww9 n GLY 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2ww9 n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ww9 n ILE 45 N -2.64 0.00 0.00 -0.61 5.41 -1.18 -4.99 119.36 115.35 2ww9 n ILE 45 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2ww9 n ILE 45 Cb 0.02 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 2ww9 n ILE 45 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2ww9 n LYS 46 N 0.00 0.00 -3.87 0.38 4.81 -1.26 -4.96 118.16 113.26 2ww9 n LYS 46 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2ww9 n LYS 46 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 2ww9 n LYS 46 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ww9 s ALA 47 N -1.69 -0.59 -0.10 3.14 0.00 -1.26 -1.87 121.76 119.39 2ww9 s ALA 47 Ca 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 2ww9 s ALA 47 Cb 0.00 0.93 0.03 0.00 0.00 0.00 0.00 23.12 24.08 2ww9 s ALA 47 CO 0.00 -0.82 0.24 -1.17 0.00 0.00 0.00 175.76 174.01 2ww9 s LEU 48 N -2.94 0.76 0.17 0.00 2.96 -1.21 -4.88 118.68 113.55 2ww9 s LEU 48 Ca 0.15 0.50 -0.33 0.00 -0.22 0.00 0.00 54.13 54.24 2ww9 s LEU 48 Cb -0.01 0.78 -0.13 0.00 0.50 0.00 0.00 46.19 47.34 2ww9 s LEU 48 CO 0.03 -0.12 1.69 -0.81 -1.32 0.00 0.00 176.35 175.81 2ww9 n PRO 49 N 3.56 2.53 -1.79 0.98 -0.04 -1.26 -3.32 135.00 135.65 2ww9 n PRO 49 Ca -0.19 0.91 -0.38 0.00 -0.04 0.00 0.00 63.50 63.80 2ww9 n PRO 49 Cb 0.56 -2.74 0.04 0.00 -0.04 0.00 0.00 33.50 31.32 2ww9 n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ww9 s ILE 50 N 1.35 2.10 0.32 0.52 1.01 -0.95 -4.97 121.20 120.59 2ww9 s ILE 50 Ca 0.78 0.08 0.07 0.00 0.00 0.00 0.00 60.65 61.57 2ww9 s ILE 50 Cb -0.57 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2ww9 s ILE 50 CO 0.36 -0.00 0.32 -0.60 0.00 0.00 0.00 174.94 175.01 2ww9 s ARG 51 N -2.92 2.88 0.00 2.79 6.06 -1.26 -5.02 118.95 121.48 2ww9 s ARG 51 Ca 0.72 -1.17 0.09 0.00 -2.50 0.00 0.00 55.73 52.86 2ww9 s ARG 51 Cb -0.40 -2.58 0.29 0.00 0.06 0.00 0.00 34.95 32.32 2ww9 s ARG 51 CO 0.47 0.15 1.22 -2.13 -2.50 0.00 0.00 175.30 172.52 2ww9 n ARG 52 N -1.40 1.48 0.00 5.12 0.63 -1.26 -3.39 116.66 117.84 2ww9 n ARG 52 Ca -0.03 -0.75 0.00 0.00 -0.92 0.00 0.00 57.85 56.15 2ww9 n ARG 52 Cb 0.59 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.31 2ww9 n ARG 52 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2ww9 n ASP 53 N 0.09 0.00 -4.79 6.15 8.00 -1.26 -4.30 116.55 120.43 2ww9 n ASP 53 Ca 0.08 -1.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.23 2ww9 n ASP 53 Cb 0.19 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 2ww9 n ASP 53 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2ww9 s ASP 54 N 0.00 6.46 -0.07 -2.24 1.01 -1.22 -4.54 116.67 116.07 2ww9 s ASP 54 Ca 0.00 1.97 0.01 0.00 0.71 0.00 0.00 52.55 55.24 2ww9 s ASP 54 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 2ww9 s ASP 54 CO 0.00 -0.70 -0.07 -1.61 0.21 0.00 0.00 175.17 173.00 2ww9 s GLU 55 N -2.99 2.77 -0.06 8.23 2.02 -0.64 -3.05 118.70 124.98 2ww9 s GLU 55 Ca 0.64 -0.55 -0.09 0.00 0.02 0.00 0.00 54.97 54.99 2ww9 s GLU 55 Cb -0.18 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.47 2ww9 s GLU 55 CO 0.23 0.65 0.23 0.08 0.02 0.00 0.00 175.26 176.47 2ww9 s VAL 56 N -0.78 0.02 0.07 2.63 1.01 -1.00 -1.56 120.40 120.80 2ww9 s VAL 56 Ca 0.12 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.98 2ww9 s VAL 56 Cb -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2ww9 s VAL 56 CO 0.01 -0.11 -0.24 -1.48 0.00 0.00 0.00 175.10 173.28 2ww9 s LEU 57 N -0.38 2.34 0.08 3.92 -0.00 -0.70 -2.42 118.68 121.52 2ww9 s LEU 57 Ca -0.05 -0.58 -0.20 0.00 -0.00 0.00 0.00 54.13 53.30 2ww9 s LEU 57 Cb -0.03 -1.35 -0.07 0.00 -0.00 0.00 0.00 46.19 44.74 2ww9 s LEU 57 CO 0.01 0.24 0.59 -0.69 -0.00 0.00 0.00 176.35 176.49 2ww9 s VAL 58 N -0.91 4.71 0.00 1.48 1.01 -0.89 -2.40 120.40 123.40 2ww9 s VAL 58 Ca 0.13 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.36 2ww9 s VAL 58 Cb -0.10 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2ww9 s VAL 58 CO 0.04 0.54 0.00 0.52 0.00 0.00 0.00 175.10 176.20 2ww9 n VAL 59 N 1.67 0.00 -3.70 2.92 0.31 -0.98 -2.95 118.33 115.60 2ww9 n VAL 59 Ca -0.10 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.96 2ww9 n VAL 59 Cb 0.51 -0.43 -0.11 0.00 -0.91 0.00 0.00 33.84 32.89 2ww9 n VAL 59 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2ww9 s ARG 60 N -1.62 1.84 0.00 5.55 1.81 -1.02 -4.82 118.95 120.69 2ww9 s ARG 60 Ca 0.00 -2.86 0.00 0.00 -1.72 0.00 0.00 55.73 51.15 2ww9 s ARG 60 Cb 0.00 -2.62 0.00 0.00 -0.45 0.00 0.00 34.95 31.88 2ww9 s ARG 60 CO 0.00 -1.33 0.00 0.41 -0.68 0.00 0.00 175.30 173.70 2ww9 n GLY 61 N 2.32 3.70 0.78 -3.53 0.00 -1.26 -4.93 105.19 102.27 2ww9 n GLY 61 Ca 0.24 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.74 2ww9 n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww9 n SER 62 N 0.00 2.81 -2.64 1.61 3.41 -1.26 -4.48 113.62 113.07 2ww9 n SER 62 Ca 0.00 -1.83 -0.19 0.00 -0.26 0.00 0.00 58.87 56.59 2ww9 n SER 62 Cb 0.00 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 63.80 2ww9 n SER 62 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ww9 n LYS 63 N 0.94 2.35 -0.62 4.33 4.76 -1.26 -4.98 118.16 123.69 2ww9 n LYS 63 Ca 0.13 -3.97 0.07 0.00 -2.87 0.00 0.00 58.31 51.67 2ww9 n LYS 63 Cb 0.45 -1.82 0.32 0.00 -1.84 0.00 0.00 35.03 32.14 2ww9 n LYS 63 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2ww9 n LYS 64 N -0.24 3.71 -2.70 1.97 0.00 -1.26 -4.29 118.16 115.35 2ww9 n LYS 64 Ca 0.26 -2.50 -0.07 0.00 -0.00 0.00 0.00 58.31 56.00 2ww9 n LYS 64 Cb 0.70 -1.95 0.09 0.00 -0.00 0.00 0.00 35.03 33.87 2ww9 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ww9 n GLY 65 N 0.80 0.38 3.15 2.58 0.00 -1.15 -3.82 105.19 107.13 2ww9 n GLY 65 Ca 0.22 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 2ww9 n GLY 65 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww9 s GLN 66 N 0.18 1.58 0.63 1.61 -2.07 -1.26 -4.94 119.66 115.39 2ww9 s GLN 66 Ca 0.19 -0.62 -0.03 0.00 -1.82 0.00 0.00 55.36 53.09 2ww9 s GLN 66 Cb 0.30 -1.45 0.05 0.00 -1.09 0.00 0.00 33.01 30.82 2ww9 s GLN 66 CO -0.08 0.32 0.90 -1.21 -1.32 0.00 0.00 175.29 173.90 2ww9 s GLU 67 N -0.21 2.34 0.00 9.60 2.02 -1.26 -2.10 118.70 129.08 2ww9 s GLU 67 Ca 0.02 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.47 2ww9 s GLU 67 Cb -0.09 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.81 2ww9 s GLU 67 CO 0.01 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.70 2ww9 n GLY 68 N -2.64 3.71 3.75 -1.39 0.00 -1.02 -4.84 105.19 102.76 2ww9 n GLY 68 Ca 0.08 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 2ww9 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww9 s LYS 69 N -2.23 2.94 -0.27 1.61 1.02 -1.26 -2.37 119.74 119.18 2ww9 s LYS 69 Ca 0.00 2.07 -0.27 0.00 0.02 0.00 0.00 55.97 57.79 2ww9 s LYS 69 Cb 0.00 -2.05 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 2ww9 s LYS 69 CO 0.00 -1.30 0.95 0.42 -0.92 0.00 0.00 175.35 174.50 2ww9 s ILE 70 N -1.41 4.70 0.05 2.17 1.01 -1.17 -1.38 121.20 125.18 2ww9 s ILE 70 Ca 0.76 1.70 0.09 0.00 0.00 0.00 0.00 60.65 63.20 2ww9 s ILE 70 Cb -0.37 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 37.65 2ww9 s ILE 70 CO 0.41 -0.23 1.11 0.77 0.00 0.00 0.00 174.94 177.00 2ww9 h SER 71 N 7.77 0.00 -4.70 3.58 4.64 -1.71 -3.40 113.55 119.73 2ww9 h SER 71 Ca -0.21 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.17 2ww9 h SER 71 Cb 1.07 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.01 2ww9 h SER 71 CO 0.95 0.96 0.41 -0.55 -0.87 0.00 0.00 176.83 177.73 2ww9 s SER 72 N -6.50 -0.43 -0.07 4.97 0.15 -1.22 -5.02 113.70 105.57 2ww9 s SER 72 Ca -0.00 0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 2ww9 s SER 72 Cb 0.09 0.44 0.03 0.00 -1.71 0.00 0.00 66.02 64.87 2ww9 s SER 72 CO 0.82 -0.68 0.30 0.54 1.20 0.00 0.00 173.24 175.42 2ww9 s VAL 73 N -2.97 0.03 -0.08 4.45 0.11 -1.26 -1.08 120.40 119.60 2ww9 s VAL 73 Ca 0.02 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2ww9 s VAL 73 Cb -0.01 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 2ww9 s VAL 73 CO -0.08 -0.12 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.11 2ww9 s TYR 74 N -0.47 2.70 0.06 1.54 1.51 -0.77 -4.98 117.35 116.94 2ww9 s TYR 74 Ca -0.06 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 55.46 2ww9 s TYR 74 Cb -0.04 -1.69 -0.26 0.00 -0.11 0.00 0.00 41.96 39.86 2ww9 s TYR 74 CO 0.02 -0.00 1.15 0.07 -1.11 0.00 0.00 175.55 175.68 2ww9 h ARG 75 N 5.89 0.66 0.00 -0.62 0.11 -1.98 -2.20 114.38 116.24 2ww9 h ARG 75 Ca -0.38 -0.78 -0.09 0.00 0.10 0.00 0.00 59.98 58.84 2ww9 h ARG 75 Cb 1.18 0.24 -0.01 0.00 1.11 0.00 0.00 29.97 32.48 2ww9 h ARG 75 CO 0.52 1.34 -0.42 -0.07 0.10 0.00 0.00 179.97 181.43 2ww9 h LEU 76 N 0.32 0.00 0.00 0.08 4.07 -1.96 -3.26 115.31 114.57 2ww9 h LEU 76 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2ww9 h LEU 76 Cb 1.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.51 2ww9 h LEU 76 CO 0.21 0.42 -0.74 1.17 -1.08 0.00 0.00 178.44 178.42 2ww9 n LYS 77 N -3.52 2.20 -4.14 1.13 4.81 -1.25 -4.93 118.16 112.45 2ww9 n LYS 77 Ca -0.00 -0.01 -0.30 0.00 -0.87 0.00 0.00 58.31 57.13 2ww9 n LYS 77 Cb 0.55 -1.18 -0.05 0.00 0.02 0.00 0.00 35.03 34.37 2ww9 n LYS 77 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2ww9 n PHE 78 N -1.39 -1.53 -3.84 5.64 1.16 -0.83 -4.97 117.46 111.71 2ww9 n PHE 78 Ca 0.02 0.72 -0.12 0.00 -1.87 0.00 0.00 57.45 56.20 2ww9 n PHE 78 Cb 0.23 -3.22 -0.11 0.00 -1.61 0.00 0.00 39.48 34.78 2ww9 n PHE 78 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2ww9 s ALA 79 N -3.91 -0.39 -0.12 1.98 0.00 -1.19 -4.50 121.76 113.64 2ww9 s ALA 79 Ca 0.20 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.35 2ww9 s ALA 79 Cb -0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2ww9 s ALA 79 CO 0.94 -0.15 -0.17 0.08 0.00 0.00 0.00 175.76 176.45 2ww9 s VAL 80 N -0.68 2.66 -0.03 0.00 1.01 -0.86 -1.85 120.40 120.64 2ww9 s VAL 80 Ca -0.08 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2ww9 s VAL 80 Cb -0.05 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 2ww9 s VAL 80 CO 0.01 0.54 0.36 -1.58 0.00 0.00 0.00 175.10 174.43 2ww9 s GLN 81 N 0.37 3.86 -0.06 2.72 0.74 -0.24 -1.37 119.66 125.68 2ww9 s GLN 81 Ca -0.14 0.31 0.04 0.00 0.05 0.00 0.00 55.36 55.63 2ww9 s GLN 81 Cb -0.17 -3.23 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 2ww9 s GLN 81 CO 0.07 0.68 -0.19 0.08 -0.55 0.00 0.00 175.29 175.37 2ww9 s VAL 82 N -0.96 2.58 -0.33 1.34 1.01 -1.26 -2.22 120.40 120.56 2ww9 s VAL 82 Ca 0.22 -0.88 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 2ww9 s VAL 82 Cb -0.16 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.24 2ww9 s VAL 82 CO 0.11 0.57 0.82 -0.62 0.00 0.00 0.00 175.10 175.98 2ww9 s ASP 83 N -0.36 6.64 0.00 3.32 2.15 -0.48 -4.45 116.67 123.50 2ww9 s ASP 83 Ca 0.03 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.58 2ww9 s ASP 83 Cb -0.12 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2ww9 s ASP 83 CO 0.02 -0.69 0.00 2.29 -0.17 0.00 0.00 175.17 176.62 2ww9 n LYS 84 N 6.37 0.00 0.00 4.34 2.85 -1.26 -4.19 118.16 126.27 2ww9 n LYS 84 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 2ww9 n LYS 84 Cb 0.48 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 2ww9 n LYS 84 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2ww9 n VAL 85 N -0.00 0.00 -2.37 0.58 0.24 -1.26 -5.07 118.33 110.44 2ww9 n VAL 85 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 2ww9 n VAL 85 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 2ww9 n VAL 85 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2ww9 n THR 86 N 0.22 0.00 0.00 3.34 5.66 -1.24 -4.82 114.28 117.43 2ww9 n THR 86 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2ww9 n THR 86 Cb 0.00 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 2ww9 n THR 86 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2ww9 n LYS 87 N -1.59 0.00 -2.63 1.09 3.00 -1.26 -4.96 118.16 111.81 2ww9 n LYS 87 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 2ww9 n LYS 87 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.09 2ww9 n LYS 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2ww9 s GLU 88 N 0.00 4.10 0.12 1.64 1.03 -1.26 -4.07 118.70 120.25 2ww9 s GLU 88 Ca 0.00 1.36 0.04 0.00 0.03 0.00 0.00 54.97 56.40 2ww9 s GLU 88 Cb 0.00 -2.34 -0.04 0.00 -0.80 0.00 0.00 34.13 30.95 2ww9 s GLU 88 CO 0.00 -0.17 0.09 0.15 -1.33 0.00 0.00 175.26 174.00 2ww9 s LYS 89 N -2.84 2.84 0.46 -4.83 3.01 -0.75 -5.04 119.74 112.59 2ww9 s LYS 89 Ca 0.61 -0.79 0.30 0.00 -1.01 0.00 0.00 55.97 55.08 2ww9 s LYS 89 Cb -0.17 -2.66 1.16 0.00 -1.01 0.00 0.00 37.83 35.15 2ww9 s LYS 89 CO 0.22 0.53 1.88 -0.39 0.51 0.00 0.00 175.35 178.09 2ww9 h VAL 90 N 2.39 0.00 -0.33 3.17 -1.51 -1.98 -2.25 116.25 115.75 2ww9 h VAL 90 Ca -0.47 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.51 2ww9 h VAL 90 Cb 1.18 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 2ww9 h VAL 90 CO 0.64 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.52 2ww9 n ASN 91 N -2.86 2.96 0.00 4.19 6.94 -1.26 -4.90 115.26 120.34 2ww9 n ASN 91 Ca 0.01 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.65 2ww9 n ASN 91 Cb 0.31 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 2ww9 n ASN 91 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ww9 n GLY 92 N 1.40 1.35 3.67 4.83 0.00 -0.85 -5.07 105.19 110.53 2ww9 n GLY 92 Ca 0.18 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2ww9 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww9 s ALA 93 N -2.00 3.50 0.10 4.61 0.00 -1.21 -4.98 121.76 121.78 2ww9 s ALA 93 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.06 2ww9 s ALA 93 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2ww9 s ALA 93 CO 0.00 -0.63 -0.09 -1.12 0.00 0.00 0.00 175.76 173.92 2ww9 s SER 94 N 1.14 1.40 0.03 0.00 0.01 -1.26 -1.81 113.70 113.21 2ww9 s SER 94 Ca 0.39 -0.84 0.08 0.00 1.31 0.00 0.00 55.95 56.89 2ww9 s SER 94 Cb -0.17 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 2ww9 s SER 94 CO 0.13 -0.29 -0.22 0.68 0.41 0.00 0.00 173.24 173.94 2ww9 s VAL 95 N -2.60 1.80 0.00 3.43 -7.23 -1.26 -5.03 120.40 109.52 2ww9 s VAL 95 Ca 0.06 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 2ww9 s VAL 95 Cb -0.02 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.38 2ww9 s VAL 95 CO -0.01 0.31 0.26 -2.65 -0.31 0.00 0.00 175.10 172.70 2ww9 n PRO 96 N 1.98 0.00 -1.33 4.82 -0.02 -1.26 -4.14 135.00 135.05 2ww9 n PRO 96 Ca -0.17 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2ww9 n PRO 96 Cb 0.53 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 2ww9 n PRO 96 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2ww9 n ILE 97 N -1.39 -6.27 -4.37 4.25 5.41 -1.26 -3.67 119.36 112.05 2ww9 n ILE 97 Ca 0.00 1.22 -0.20 0.00 1.00 0.00 0.00 62.75 64.77 2ww9 n ILE 97 Cb 0.00 -3.82 -0.10 0.00 -0.71 0.00 0.00 39.64 35.01 2ww9 n ILE 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2ww9 s ASN 98 N -0.21 2.79 0.32 4.38 0.02 -1.26 -4.22 114.94 116.76 2ww9 s ASN 98 Ca 0.00 -1.00 -0.05 0.00 -1.02 0.00 0.00 52.86 50.79 2ww9 s ASN 98 Cb 0.00 -0.17 -0.00 0.00 0.02 0.00 0.00 41.25 41.10 2ww9 s ASN 98 CO 0.00 -0.11 0.46 -0.76 0.02 0.00 0.00 177.10 176.71 2ww9 s LEU 99 N -3.28 0.87 -0.07 0.60 1.43 -0.47 -4.92 118.68 112.84 2ww9 s LEU 99 Ca 0.23 -1.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.00 2ww9 s LEU 99 Cb -0.02 1.49 0.00 0.00 0.03 0.00 0.00 46.19 47.69 2ww9 s LEU 99 CO 0.08 -1.25 -0.19 -2.28 0.23 0.00 0.00 176.35 172.95 2ww9 s HIS 100 N -3.29 1.96 0.46 0.29 5.65 -1.26 -2.03 115.29 117.07 2ww9 s HIS 100 Ca 0.29 -0.68 0.26 0.00 0.25 0.00 0.00 55.06 55.18 2ww9 s HIS 100 Cb -0.00 -1.34 1.48 0.00 -1.18 0.00 0.00 32.58 31.54 2ww9 s HIS 100 CO 0.17 -0.27 2.11 -1.35 -0.65 0.00 0.00 174.74 174.75 2ww9 h PRO 101 N 6.55 0.00 -0.47 2.88 0.11 -1.82 -2.60 132.00 136.64 2ww9 h PRO 101 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2ww9 h PRO 101 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ww9 h PRO 101 CO 0.47 0.10 0.00 0.43 -0.21 0.00 0.00 178.00 178.79 2ww9 n SER 102 N -3.79 2.45 -0.50 -2.05 7.64 -1.26 -2.82 113.62 113.29 2ww9 n SER 102 Ca -0.02 -2.09 0.06 0.00 1.01 0.00 0.00 58.87 57.83 2ww9 n SER 102 Cb 0.20 -0.33 0.15 0.00 -1.01 0.00 0.00 64.21 63.22 2ww9 n SER 102 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ww9 n LYS 103 N 0.65 2.68 -4.30 1.43 5.02 -0.98 -5.01 118.16 117.64 2ww9 n LYS 103 Ca 0.14 -2.25 -0.16 0.00 -2.02 0.00 0.00 58.31 54.02 2ww9 n LYS 103 Cb 0.42 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.91 2ww9 n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww9 s LEU 104 N -1.81 2.10 -0.01 -0.35 1.43 -1.13 -2.33 118.68 116.58 2ww9 s LEU 104 Ca 0.25 -1.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.13 2ww9 s LEU 104 Cb 0.18 -0.17 0.02 0.00 0.03 0.00 0.00 46.19 46.25 2ww9 s LEU 104 CO 0.09 -0.56 0.02 -0.69 0.23 0.00 0.00 176.35 175.44 2ww9 s VAL 105 N -3.53 -0.03 -0.09 -1.59 1.01 -1.01 -4.27 120.40 110.89 2ww9 s VAL 105 Ca 0.28 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 2ww9 s VAL 105 Cb 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.34 2ww9 s VAL 105 CO 0.08 0.05 0.40 0.27 0.00 0.00 0.00 175.10 175.90 2ww9 s ILE 106 N 0.57 5.17 -0.15 2.22 -4.36 -0.95 -1.72 121.20 121.99 2ww9 s ILE 106 Ca -0.05 0.80 -0.15 0.00 -0.26 0.00 0.00 60.65 60.99 2ww9 s ILE 106 Cb -0.07 -3.73 -0.05 0.00 1.25 0.00 0.00 42.46 39.86 2ww9 s ILE 106 CO -0.02 0.43 -0.29 0.35 0.24 0.00 0.00 174.94 175.65 2ww9 n THR 107 N 3.03 1.29 -5.15 8.37 -2.24 -0.60 -3.98 114.28 114.99 2ww9 n THR 107 Ca -0.11 0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.55 2ww9 n THR 107 Cb 0.52 -2.21 -0.15 0.00 -2.10 0.00 0.00 70.33 66.38 2ww9 n THR 107 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww9 s LYS 108 N -2.63 2.39 0.29 -0.78 3.01 -1.15 -4.92 119.74 115.96 2ww9 s LYS 108 Ca -0.24 -0.84 0.08 0.00 -1.01 0.00 0.00 55.97 53.95 2ww9 s LYS 108 Cb 0.03 -2.20 -0.03 0.00 -1.01 0.00 0.00 37.83 34.62 2ww9 s LYS 108 CO 0.36 0.52 0.20 -0.51 0.51 0.00 0.00 175.35 176.43 2ww9 s LEU 109 N -0.49 3.63 0.00 3.17 1.43 -1.26 -1.62 118.68 123.54 2ww9 s LEU 109 Ca 0.06 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2ww9 s LEU 109 Cb -0.11 -2.19 0.08 0.00 0.03 0.00 0.00 46.19 44.00 2ww9 s LEU 109 CO 0.01 -0.16 1.01 1.57 0.23 0.00 0.00 176.35 179.01 2ww9 n HIS 110 N -1.21 0.12 -1.59 0.29 -0.00 -1.26 -4.95 115.22 106.62 2ww9 n HIS 110 Ca -0.05 -0.43 -0.37 0.00 -0.00 0.00 0.00 57.72 56.86 2ww9 n HIS 110 Cb 0.59 -0.04 0.06 0.00 -0.00 0.00 0.00 29.99 30.60 2ww9 n HIS 110 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 2ww9 n LEU 111 N -0.15 3.97 -4.54 0.27 -0.00 -1.26 -4.98 117.00 110.31 2ww9 n LEU 111 Ca 0.03 0.77 -0.25 0.00 -0.00 0.00 0.00 56.01 56.56 2ww9 n LEU 111 Cb 0.27 -1.41 -0.11 0.00 -0.00 0.00 0.00 43.42 42.18 2ww9 n LEU 111 CO 0.02 -1.82 -0.32 -1.81 -0.00 0.00 0.00 177.39 173.46 2ww9 s ASP 112 N -1.35 3.37 0.00 1.45 1.11 -1.26 -5.02 116.67 114.98 2ww9 s ASP 112 Ca 0.77 -1.30 -0.01 0.00 0.18 0.00 0.00 52.55 52.18 2ww9 s ASP 112 Cb -0.40 -0.29 -0.01 0.00 1.07 0.00 0.00 42.92 43.30 2ww9 s ASP 112 CO 0.46 -0.40 1.02 0.50 1.18 0.00 0.00 175.17 177.93 2ww9 h LYS 113 N 1.98 -0.03 -0.13 8.23 3.64 -2.01 -2.74 116.57 125.51 2ww9 h LYS 113 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2ww9 h LYS 113 Cb 1.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2ww9 h LYS 113 CO 0.74 -0.02 0.00 -0.25 -2.27 0.00 0.00 179.45 177.65 2ww9 n ASP 114 N -2.47 2.74 -0.09 4.20 9.92 -1.26 -4.03 116.55 125.57 2ww9 n ASP 114 Ca -0.00 -1.82 -0.11 0.00 -0.53 0.00 0.00 54.79 52.33 2ww9 n ASP 114 Cb 0.02 -0.07 -0.04 0.00 -0.64 0.00 0.00 41.12 40.39 2ww9 n ASP 114 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2ww9 h ARG 115 N 3.63 0.49 0.00 -1.24 2.43 -1.99 -2.75 114.38 114.94 2ww9 h ARG 115 Ca 0.00 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 2ww9 h ARG 115 Cb 0.80 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2ww9 h ARG 115 CO 0.00 0.64 -0.30 1.57 -1.51 0.00 0.00 179.97 180.37 2ww9 h LYS 116 N 0.28 0.00 -0.12 0.20 2.10 -1.62 -3.16 116.57 114.24 2ww9 h LYS 116 Ca 0.08 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.64 2ww9 h LYS 116 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2ww9 h LYS 116 CO 0.01 0.30 -0.26 0.00 -2.00 0.00 0.00 179.45 177.51 2ww9 h ALA 117 N 1.70 0.20 -0.62 0.07 0.00 -1.68 -2.61 119.26 116.32 2ww9 h ALA 117 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2ww9 h ALA 117 Cb 1.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2ww9 h ALA 117 CO 0.04 0.19 0.08 -0.07 0.00 0.00 0.00 179.25 179.49 2ww9 h LEU 118 N -0.02 0.97 -0.88 0.00 4.07 -1.51 -2.20 115.31 115.74 2ww9 h LEU 118 Ca 0.00 -0.23 -0.09 0.00 0.08 0.00 0.00 57.88 57.64 2ww9 h LEU 118 Cb 0.85 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 2ww9 h LEU 118 CO 0.06 0.98 -0.11 0.40 -1.08 0.00 0.00 178.44 178.69 2ww9 h ILE 119 N 0.95 1.25 -0.43 1.22 2.04 -1.60 -2.82 117.51 118.12 2ww9 h ILE 119 Ca 0.19 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.92 2ww9 h ILE 119 Cb 0.44 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2ww9 h ILE 119 CO 0.01 0.38 0.00 1.67 0.00 0.00 0.00 178.15 180.22 2ww9 n GLN 120 N -4.17 2.15 -2.67 2.37 7.27 -0.98 -4.16 117.38 117.19 2ww9 n GLN 120 Ca 0.01 -1.78 -0.24 0.00 0.07 0.00 0.00 57.00 55.06 2ww9 n GLN 120 Cb 0.35 -1.42 -0.01 0.00 2.41 0.00 0.00 30.24 31.58 2ww9 n GLN 120 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2ww9 n ARG 121 N 0.95 2.98 0.00 3.69 5.12 -0.85 -4.91 116.66 123.64 2ww9 n ARG 121 Ca 0.17 -4.41 0.00 0.00 -1.93 0.00 0.00 57.85 51.69 2ww9 n ARG 121 Cb 0.44 -2.10 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 2ww9 n ARG 121 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2ww9 n LYS 122 N -0.32 0.00 0.00 5.56 0.00 -1.26 -4.95 118.16 117.18 2ww9 n LYS 122 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.64 2ww9 n LYS 122 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 2ww9 n LYS 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ww9 n GLY 123 N -0.10 1.87 7.00 3.14 0.00 -1.26 -5.04 105.19 110.79 2ww9 n GLY 123 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2ww9 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww9 n GLY 124 N 0.00 -0.72 1.16 -0.02 0.00 -1.26 -4.16 105.19 100.18 2ww9 n GLY 124 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2ww9 n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ww9 n LYS 125 N 0.00 0.00 -3.77 1.61 3.00 -1.26 -4.98 118.16 112.76 2ww9 n LYS 125 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 2ww9 n LYS 125 Cb 0.00 -1.94 -0.16 0.00 0.00 0.00 0.00 35.03 32.94 2ww9 n LYS 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ww9 s LEU 126 N -0.69 1.94 0.00 3.14 1.43 -1.26 -5.22 118.68 118.02 2ww9 s LEU 126 Ca 0.00 -1.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 2ww9 s LEU 126 Cb 0.00 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.39 2ww9 s LEU 126 CO 0.00 -0.35 0.11 -0.62 0.23 0.00 0.00 176.35 175.72