#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro n PRO 2 N 0.00 0.00 0.00 0.03 -0.04 -1.26 -4.73 135.00 129.00 2wro n PRO 2 Ca 0.00 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 2wro n PRO 2 Cb 0.00 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 2wro n PRO 2 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wro n ARG 3 N 5.57 0.00 -4.39 0.54 5.12 -1.25 -4.66 116.66 117.59 2wro n ARG 3 Ca 0.19 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.77 2wro n ARG 3 Cb 0.23 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.41 2wro n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wro s LEU 4 N 0.00 3.37 -0.42 0.55 1.43 1.33 -2.42 118.68 122.53 2wro s LEU 4 Ca 0.00 -0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2wro s LEU 4 Cb 0.00 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.54 2wro s LEU 4 CO 0.00 0.25 0.16 -0.75 0.23 0.00 0.00 176.35 176.23 2wro s LYS 5 N -0.10 1.77 -0.11 1.70 2.36 0.35 0.99 119.74 126.71 2wro s LYS 5 Ca 0.03 -2.12 -0.04 0.00 -2.55 0.00 0.00 55.97 51.29 2wro s LYS 5 Cb -0.13 -3.33 -0.04 0.00 -1.05 0.00 0.00 37.83 33.28 2wro s LYS 5 CO 0.02 -1.02 0.04 0.14 1.55 0.00 0.00 175.35 176.08 2wro s VAL 6 N 0.55 4.60 -0.13 4.02 -7.23 -1.05 -1.18 120.40 119.98 2wro s VAL 6 Ca 0.13 -0.13 -0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2wro s VAL 6 Cb -0.21 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.73 2wro s VAL 6 CO -0.05 0.58 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.45 2wro s LYS 7 N -0.63 3.38 -1.35 4.82 2.20 0.21 -0.36 119.74 128.01 2wro s LYS 7 Ca 0.11 -0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 54.93 2wro s LYS 7 Cb -0.12 -2.65 0.11 0.00 -1.51 0.00 0.00 37.83 33.66 2wro s LYS 7 CO 0.02 0.24 1.97 -0.11 -0.36 0.00 0.00 175.35 177.11 2wro n LEU 8 N 3.47 6.46 -2.04 5.43 0.00 -1.06 0.71 117.00 129.98 2wro n LEU 8 Ca -0.18 -4.36 -0.21 0.00 0.00 0.00 0.00 56.01 51.25 2wro n LEU 8 Cb 0.53 -1.59 0.13 0.00 0.00 0.00 0.00 43.42 42.49 2wro n LEU 8 CO 0.31 1.10 1.19 1.33 0.00 0.00 0.00 177.39 181.33 2wro n VAL 9 N 4.42 2.92 -3.15 1.96 0.24 -1.04 -1.67 118.33 122.02 2wro n VAL 9 Ca 0.45 -1.76 0.04 0.00 -2.04 0.00 0.00 64.34 61.03 2wro n VAL 9 Cb 0.39 -0.71 -0.00 0.00 -1.47 0.00 0.00 33.84 32.05 2wro n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wro s LYS 10 N -2.78 0.47 0.05 7.34 2.36 -1.23 -4.94 119.74 121.01 2wro s LYS 10 Ca 0.48 0.39 -0.10 0.00 -2.55 0.00 0.00 55.97 54.18 2wro s LYS 10 Cb 0.40 0.19 -0.06 0.00 -1.05 0.00 0.00 37.83 37.31 2wro s LYS 10 CO 0.07 -0.86 0.22 0.45 1.55 0.00 0.00 175.35 176.77 2wro n SER 11 N 5.24 -0.32 0.08 1.43 2.88 -1.26 -4.65 113.62 117.02 2wro n SER 11 Ca 0.06 0.38 -0.05 0.00 -1.33 0.00 0.00 58.87 57.94 2wro n SER 11 Cb 0.55 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 2wro n SER 11 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2wro h PRO 12 N 0.49 -0.29 -2.50 -1.46 0.13 -1.98 -3.45 132.00 122.95 2wro h PRO 12 Ca -0.11 0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.79 2wro h PRO 12 Cb 0.48 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.63 2wro h PRO 12 CO 0.20 -0.16 0.89 -0.89 -0.23 0.00 0.00 178.00 177.81 2wro n ILE 13 N -4.97 0.00 0.00 -3.56 5.41 -1.26 -2.06 119.36 112.92 2wro n ILE 13 Ca -0.04 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.70 2wro n ILE 13 Cb 0.13 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 2wro n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wro n GLY 14 N 3.23 0.89 3.39 7.39 0.00 -1.26 -5.13 105.19 113.70 2wro n GLY 14 Ca 0.33 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 2wro n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wro n TYR 15 N 0.00 -2.04 -0.58 1.61 4.02 -0.88 -4.98 117.16 114.31 2wro n TYR 15 Ca 0.00 -0.36 -0.14 0.00 -0.01 0.00 0.00 57.90 57.39 2wro n TYR 15 Cb 0.00 -1.59 0.11 0.00 -0.02 0.00 0.00 39.34 37.84 2wro n TYR 15 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2wro n PRO 16 N -5.25 -1.74 0.05 -0.72 -0.02 -1.26 -4.85 135.00 121.20 2wro n PRO 16 Ca 0.05 -0.52 -0.07 0.00 -2.02 0.00 0.00 63.50 60.95 2wro n PRO 16 Cb 0.56 -1.35 -0.04 0.00 -0.02 0.00 0.00 33.50 32.64 2wro n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wro h LYS 17 N -2.52 -0.22 -0.74 -0.52 1.79 -2.00 -3.31 116.57 109.05 2wro h LYS 17 Ca -0.19 0.01 0.22 0.00 -2.18 0.00 0.00 60.65 58.51 2wro h LYS 17 Cb 0.60 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.27 2wro h LYS 17 CO 0.11 0.03 0.66 0.38 -1.08 0.00 0.00 179.45 179.56 2wro h ASP 18 N -1.01 0.00 -0.03 0.86 2.03 -1.93 -2.11 116.42 114.22 2wro h ASP 18 Ca -0.02 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.26 2wro h ASP 18 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2wro h ASP 18 CO 0.04 0.00 -0.06 1.56 -1.03 0.00 0.00 179.24 179.75 2wro h GLN 19 N 0.00 0.09 0.00 4.15 4.20 -1.92 0.14 115.11 121.78 2wro h GLN 19 Ca 0.35 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2wro h GLN 19 Cb 1.68 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.47 2wro h GLN 19 CO -0.00 0.65 0.00 1.63 -0.67 0.00 0.00 178.83 180.44 2wro n LYS 20 N -4.72 0.18 -0.12 1.46 5.02 -0.83 0.14 118.16 119.30 2wro n LYS 20 Ca -0.08 0.16 0.06 0.00 -2.02 0.00 0.00 58.31 56.43 2wro n LYS 20 Cb 0.33 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.96 2wro n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wro n ALA 21 N -1.26 2.30 0.69 7.82 0.00 -0.91 -2.91 120.51 126.24 2wro n ALA 21 Ca 0.06 -0.94 0.11 0.00 0.00 0.00 0.00 53.44 52.66 2wro n ALA 21 Cb 0.09 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 2wro n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wro n ALA 22 N 0.61 4.00 -0.13 0.00 0.00 0.38 -3.72 120.51 121.65 2wro n ALA 22 Ca 0.10 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.83 2wro n ALA 22 Cb 0.38 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 2wro n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wro n LEU 23 N -1.76 2.90 -0.10 0.00 4.77 -1.06 -3.36 117.00 118.39 2wro n LEU 23 Ca 0.02 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2wro n LEU 23 Cb 0.40 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2wro n LEU 23 CO 0.43 0.90 0.20 1.17 -1.33 0.00 0.00 177.39 178.76 2wro n LYS 24 N -3.32 0.45 -0.01 3.23 4.81 -1.14 0.80 118.16 122.98 2wro n LYS 24 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 56.96 2wro n LYS 24 Cb 0.97 -1.04 -0.01 0.00 0.02 0.00 0.00 35.03 34.97 2wro n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wro n ALA 25 N -0.35 1.89 0.27 3.14 0.00 -1.24 -4.71 120.51 119.51 2wro n ALA 25 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 2wro n ALA 25 Cb 0.02 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 2wro n ALA 25 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wro h LEU 26 N -0.28 -0.86 0.00 0.00 3.38 -1.48 -3.47 115.31 112.60 2wro h LEU 26 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wro h LEU 26 Cb 0.28 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2wro h LEU 26 CO 0.00 -0.50 0.00 0.61 0.09 0.00 0.00 178.44 178.64 2wro n GLY 27 N -1.46 0.78 3.12 0.83 0.00 0.24 -5.09 105.19 103.61 2wro n GLY 27 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2wro n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wro s LEU 28 N 0.00 5.26 0.00 0.99 1.43 -0.93 -5.02 118.68 120.41 2wro s LEU 28 Ca 0.00 -2.09 0.00 0.00 -1.03 0.00 0.00 54.13 51.01 2wro s LEU 28 Cb 0.00 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2wro s LEU 28 CO 0.00 -0.53 0.00 0.54 0.23 0.00 0.00 176.35 176.59 2wro n ARG 29 N 4.52 0.00 -0.86 1.70 1.74 -1.26 -4.77 116.66 117.72 2wro n ARG 29 Ca -0.02 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.83 2wro n ARG 29 Cb 0.41 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.87 2wro n ARG 29 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wro n ARG 30 N 0.00 0.00 -2.24 5.56 1.74 -1.26 -4.93 116.66 115.53 2wro n ARG 30 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2wro n ARG 30 Cb 0.00 -0.95 0.03 0.00 -1.02 0.00 0.00 32.46 30.52 2wro n ARG 30 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wro s LEU 31 N 7.60 3.23 -0.67 0.55 0.20 -1.26 -3.88 118.68 124.44 2wro s LEU 31 Ca 0.21 0.95 0.00 0.00 0.69 0.00 0.00 54.13 55.99 2wro s LEU 31 Cb 0.07 -3.83 0.00 0.00 -0.43 0.00 0.00 46.19 42.00 2wro s LEU 31 CO 0.39 -1.01 0.00 0.00 -0.29 0.00 0.00 176.35 175.44 2wro n GLN 32 N -2.65 -1.76 -3.30 1.98 1.13 -0.67 -4.90 117.38 107.21 2wro n GLN 32 Ca 0.05 0.62 -0.43 0.00 -1.94 0.00 0.00 57.00 55.29 2wro n GLN 32 Cb 0.56 -4.80 -0.08 0.00 0.11 0.00 0.00 30.24 26.04 2wro n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2wro s GLN 33 N -2.29 3.08 0.42 -1.09 0.74 -1.25 -4.82 119.66 114.45 2wro s GLN 33 Ca 0.00 -0.88 -0.04 0.00 0.05 0.00 0.00 55.36 54.49 2wro s GLN 33 Cb 0.00 -4.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.05 2wro s GLN 33 CO 0.00 -0.96 0.71 -1.83 -0.55 0.00 0.00 175.29 172.66 2wro s GLU 34 N 2.16 3.56 -0.04 1.67 -1.05 -1.26 -2.56 118.70 121.18 2wro s GLU 34 Ca 0.11 0.09 -0.01 0.00 -0.15 0.00 0.00 54.97 55.01 2wro s GLU 34 Cb -0.19 -2.47 0.03 0.00 -0.44 0.00 0.00 34.13 31.07 2wro s GLU 34 CO 0.12 -0.07 0.09 0.50 0.95 0.00 0.00 175.26 176.85 2wro s ARG 35 N -4.43 0.03 -0.25 -4.83 3.52 0.52 -4.95 118.95 108.55 2wro s ARG 35 Ca 0.46 0.27 -0.18 0.00 -0.13 0.00 0.00 55.73 56.14 2wro s ARG 35 Cb -0.10 -0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.06 2wro s ARG 35 CO 0.40 -0.16 0.52 0.14 -0.81 0.00 0.00 175.30 175.40 2wro s VAL 36 N 1.06 5.07 0.24 7.11 -7.23 -1.26 -2.54 120.40 122.85 2wro s VAL 36 Ca -0.08 0.91 -0.16 0.00 -1.81 0.00 0.00 61.98 60.84 2wro s VAL 36 Cb -0.12 -3.84 0.01 0.00 0.56 0.00 0.00 36.38 33.00 2wro s VAL 36 CO -0.04 0.10 0.55 -0.76 -0.31 0.00 0.00 175.10 174.64 2wro s LEU 37 N 2.18 0.13 0.00 1.32 1.43 0.28 -4.92 118.68 119.10 2wro s LEU 37 Ca 0.22 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2wro s LEU 37 Cb -0.16 2.09 0.00 0.00 0.03 0.00 0.00 46.19 48.16 2wro s LEU 37 CO 0.09 -1.17 0.00 -0.62 0.23 0.00 0.00 176.35 174.88 2wro n GLU 38 N -0.39 1.39 -2.77 1.70 4.71 -1.26 0.40 120.64 124.42 2wro n GLU 38 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.01 2wro n GLU 38 Cb 0.61 0.00 0.06 0.00 -1.01 0.00 0.00 31.44 31.11 2wro n GLU 38 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2wro n ASP 39 N -0.55 -0.60 -4.84 1.62 2.03 -1.26 -3.36 116.55 109.59 2wro n ASP 39 Ca 0.00 -2.86 -0.33 0.00 0.52 0.00 0.00 54.79 52.11 2wro n ASP 39 Cb 0.00 0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 40.84 2wro n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wro s THR 40 N -1.15 4.58 0.50 5.18 -4.23 -1.26 -4.85 115.64 114.40 2wro s THR 40 Ca 0.26 1.15 0.43 0.00 -1.18 0.00 0.00 61.69 62.36 2wro s THR 40 Cb 0.39 -3.65 0.64 0.00 1.34 0.00 0.00 72.50 71.22 2wro s THR 40 CO -0.04 -0.16 1.49 -2.65 -0.54 0.00 0.00 174.62 172.72 2wro n PRO 41 N -0.27 -0.01 0.00 3.99 -0.02 -1.26 -1.23 135.00 136.20 2wro n PRO 41 Ca 0.04 1.09 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 2wro n PRO 41 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2wro n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wro n ALA 42 N -2.77 0.00 -0.19 3.55 0.00 -1.26 -3.79 120.51 116.05 2wro n ALA 42 Ca 0.42 0.00 0.19 0.00 0.00 0.00 0.00 53.44 54.04 2wro n ALA 42 Cb 1.80 0.00 0.29 0.00 0.00 0.00 0.00 19.45 21.55 2wro n ALA 42 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wro n ILE 43 N -0.25 0.00 0.24 0.00 2.08 -0.37 -1.68 119.36 119.38 2wro n ILE 43 Ca 0.00 0.73 -0.09 0.00 0.56 0.00 0.00 62.75 63.94 2wro n ILE 43 Cb 0.00 -1.28 -0.05 0.00 -0.75 0.00 0.00 39.64 37.56 2wro n ILE 43 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2wro h ARG 44 N 0.00 -0.60 -0.90 0.38 3.08 -1.39 -3.33 114.38 111.62 2wro h ARG 44 Ca 0.33 0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.64 2wro h ARG 44 Cb 1.74 0.14 -0.12 0.00 0.08 0.00 0.00 29.97 31.81 2wro h ARG 44 CO -0.00 -0.40 0.42 0.78 -1.07 0.00 0.00 179.97 179.70 2wro h GLY 45 N -0.76 1.56 0.89 0.04 0.00 -1.45 0.87 103.07 104.22 2wro h GLY 45 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2wro h GLY 45 CO 0.10 -0.24 0.00 -2.01 0.00 0.00 0.00 176.54 174.39 2wro n ASN 46 N -5.01 0.00 -0.06 0.19 4.05 -1.25 -0.52 115.26 112.65 2wro n ASN 46 Ca 0.22 -0.32 -0.09 0.00 0.45 0.00 0.00 54.58 54.85 2wro n ASN 46 Cb 0.64 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.60 2wro n ASN 46 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 2wro n VAL 47 N -0.95 0.72 0.08 3.44 0.31 0.25 -4.43 118.33 117.75 2wro n VAL 47 Ca 0.06 -0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 64.00 2wro n VAL 47 Cb 0.03 -0.97 -0.05 0.00 -0.91 0.00 0.00 33.84 31.94 2wro n VAL 47 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wro h GLU 48 N -0.02 -0.32 -0.00 5.55 4.39 -0.57 0.76 114.58 124.36 2wro h GLU 48 Ca -0.28 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2wro h GLU 48 Cb 1.43 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 2wro h GLU 48 CO -0.05 -0.22 0.00 1.17 -1.16 0.00 0.00 179.01 178.75 2wro n LYS 49 N -5.32 0.12 0.00 2.33 4.81 0.32 -0.99 118.16 119.44 2wro n LYS 49 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2wro n LYS 49 Cb 0.23 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.28 2wro n LYS 49 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2wro n VAL 50 N -0.49 0.00 0.03 3.15 0.24 0.09 -4.89 118.33 116.46 2wro n VAL 50 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.31 2wro n VAL 50 Cb 0.00 0.76 0.05 0.00 -1.47 0.00 0.00 33.84 33.18 2wro n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wro n ALA 51 N 0.00 0.43 1.10 2.33 0.00 0.24 0.15 120.51 124.76 2wro n ALA 51 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.59 2wro n ALA 51 Cb 0.40 -0.45 0.41 0.00 0.00 0.00 0.00 19.45 19.81 2wro n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2wro n HIS 52 N -1.37 0.00 -0.80 0.00 1.44 -1.26 -3.67 115.22 109.55 2wro n HIS 52 Ca -0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 2wro n HIS 52 Cb 0.32 -0.28 0.05 0.00 0.12 0.00 0.00 29.99 30.21 2wro n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wro n LEU 53 N -1.30 1.62 -3.76 2.39 4.77 0.41 -4.84 117.00 116.28 2wro n LEU 53 Ca 0.08 -2.04 -0.12 0.00 -0.03 0.00 0.00 56.01 53.91 2wro n LEU 53 Cb 0.33 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 2wro n LEU 53 CO 0.30 0.48 0.01 -0.69 -1.33 0.00 0.00 177.39 176.17 2wro s VAL 54 N -1.46 0.08 -0.39 4.08 1.01 -1.18 -2.50 120.40 120.04 2wro s VAL 54 Ca 0.12 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2wro s VAL 54 Cb 0.11 -0.85 0.08 0.00 0.00 0.00 0.00 36.38 35.71 2wro s VAL 54 CO 0.01 -0.36 0.18 -0.13 0.00 0.00 0.00 175.10 174.80 2wro s ARG 55 N -2.25 2.40 1.12 2.72 0.52 0.22 -4.80 118.95 118.89 2wro s ARG 55 Ca -0.07 -1.50 -0.19 0.00 -0.52 0.00 0.00 55.73 53.45 2wro s ARG 55 Cb -0.02 -3.58 0.27 0.00 0.52 0.00 0.00 34.95 32.14 2wro s ARG 55 CO -0.01 -0.90 1.23 0.28 0.02 0.00 0.00 175.30 175.91 2wro n VAL 56 N 4.76 0.00 0.00 3.52 0.31 -1.26 0.65 118.33 126.31 2wro n VAL 56 Ca -0.09 -0.74 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 2wro n VAL 56 Cb 0.43 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 2wro n VAL 56 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wro n GLU 57 N -4.38 0.00 -3.51 5.55 2.13 -0.33 -4.80 120.64 115.31 2wro n GLU 57 Ca 0.16 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.57 2wro n GLU 57 Cb 0.59 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.25 2wro n GLU 57 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2wro s VAL 58 N -1.38 4.87 0.70 6.31 1.01 -1.26 0.13 120.40 130.79 2wro s VAL 58 Ca 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 61.98 58.79 2wro s VAL 58 Cb 0.00 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.46 2wro s VAL 58 CO 0.00 -1.04 0.98 -0.69 0.00 0.00 0.00 175.10 174.35 2wro s VAL 59 N -0.60 2.26 0.00 2.92 1.01 -1.01 -4.95 120.40 120.02 2wro s VAL 59 Ca 0.23 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2wro s VAL 59 Cb -0.12 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2wro s VAL 59 CO -0.08 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.40