#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 n ARG 3 N 0.00 0.72 0.29 0.00 0.63 -1.26 -4.27 116.66 112.77 2wh3 n ARG 3 Ca 0.00 0.23 -0.12 0.00 -0.92 0.00 0.00 57.85 57.04 2wh3 n ARG 3 Cb 0.00 -1.65 -0.06 0.00 0.45 0.00 0.00 32.46 31.20 2wh3 n ARG 3 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wh3 h LYS 4 N 0.05 -0.75 -0.03 -0.14 1.63 -2.00 -3.05 116.57 112.28 2wh3 h LYS 4 Ca -0.47 0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.39 2wh3 h LYS 4 Cb 2.00 0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 33.80 2wh3 h LYS 4 CO 0.04 -0.50 0.19 0.00 -3.45 0.00 0.00 179.45 175.72 2wh3 h ALA 5 N -1.32 1.29 0.04 5.00 0.00 -2.00 -2.55 119.26 119.72 2wh3 h ALA 5 Ca -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wh3 h ALA 5 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2wh3 h ALA 5 CO 0.13 -0.20 -0.02 -0.07 0.00 0.00 0.00 179.25 179.09 2wh3 h LEU 6 N 0.00 -0.05 -1.81 0.00 3.38 -1.73 -2.62 115.31 112.48 2wh3 h LEU 6 Ca 0.02 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2wh3 h LEU 6 Cb 0.39 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wh3 h LEU 6 CO -0.00 0.69 0.00 0.16 0.09 0.00 0.00 178.44 179.38 2wh3 h ILE 7 N -0.95 0.00 0.16 1.22 3.07 -1.40 1.21 117.51 120.82 2wh3 h ILE 7 Ca -0.01 -0.06 -0.30 0.00 1.55 0.00 0.00 64.86 66.05 2wh3 h ILE 7 Cb 0.59 0.75 0.02 0.00 -0.27 0.00 0.00 36.82 37.92 2wh3 h ILE 7 CO 0.01 0.00 -1.30 -0.08 -1.05 0.00 0.00 178.15 175.73 2wh3 h GLU 8 N 0.00 0.48 0.00 0.16 4.57 -1.47 -2.43 114.58 115.89 2wh3 h GLU 8 Ca 0.00 -0.72 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 2wh3 h GLU 8 Cb 0.08 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2wh3 h GLU 8 CO 0.00 1.33 -0.34 1.17 -1.18 0.00 0.00 179.01 179.99 2wh3 n LYS 9 N -3.69 0.26 -0.12 1.92 4.81 0.42 -3.33 118.16 118.43 2wh3 n LYS 9 Ca -0.13 0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.32 2wh3 n LYS 9 Cb 1.02 -1.73 -0.02 0.00 0.02 0.00 0.00 35.03 34.33 2wh3 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wh3 h ALA 10 N 2.54 0.55 0.74 3.14 0.00 0.15 -3.27 119.26 123.12 2wh3 h ALA 10 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2wh3 h ALA 10 Cb 0.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2wh3 h ALA 10 CO 0.00 0.59 -0.48 0.87 0.00 0.00 0.00 179.25 180.22 2wh3 h LYS 11 N 0.68 -1.11 -6.04 0.00 1.57 -1.44 -3.41 116.57 106.82 2wh3 h LYS 11 Ca 0.07 0.08 -0.70 0.00 -1.87 0.00 0.00 60.65 58.22 2wh3 h LYS 11 Cb 0.88 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2wh3 h LYS 11 CO 0.08 -0.74 1.25 0.54 -0.57 0.00 0.00 179.45 180.00 2wh3 n ARG 12 N -5.61 0.99 -0.80 3.15 1.74 -1.23 -4.82 116.66 110.08 2wh3 n ARG 12 Ca -0.14 0.31 0.05 0.00 -0.77 0.00 0.00 57.85 57.29 2wh3 n ARG 12 Cb 0.49 -2.24 0.34 0.00 -1.02 0.00 0.00 32.46 30.04 2wh3 n ARG 12 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2wh3 n THR 13 N 6.30 2.45 -1.28 0.55 -1.04 -1.26 -4.93 114.28 115.07 2wh3 n THR 13 Ca 0.38 -1.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.15 2wh3 n THR 13 Cb 0.17 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 2wh3 n THR 13 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wh3 n PRO 14 N 0.46 0.89 -2.77 -2.82 -0.04 -1.26 -4.78 135.00 124.68 2wh3 n PRO 14 Ca 0.26 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2wh3 n PRO 14 Cb 1.11 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.55 2wh3 n PRO 14 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wh3 n LYS 15 N -0.59 -2.66 -2.29 0.54 4.76 -1.26 -4.73 118.16 111.92 2wh3 n LYS 15 Ca 0.00 2.12 0.00 0.00 -2.87 0.00 0.00 58.31 57.56 2wh3 n LYS 15 Cb 0.00 -2.59 0.00 0.00 -1.84 0.00 0.00 35.03 30.60 2wh3 n LYS 15 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2wh3 n PHE 16 N 2.16 -4.37 0.06 2.13 3.72 -1.26 -4.57 117.46 115.34 2wh3 n PHE 16 Ca -0.16 2.60 0.00 0.00 -0.05 0.00 0.00 57.45 59.85 2wh3 n PHE 16 Cb 0.24 -3.53 0.01 0.00 -0.94 0.00 0.00 39.48 35.27 2wh3 n PHE 16 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2wh3 n LYS 17 N 1.88 0.03 -0.09 -1.08 2.85 -1.26 -2.99 118.16 117.51 2wh3 n LYS 17 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2wh3 n LYS 17 Cb 0.00 -1.21 -0.07 0.00 -0.65 0.00 0.00 35.03 33.10 2wh3 n LYS 17 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2wh3 h VAL 18 N 0.00 0.48 -0.74 0.58 2.07 -1.92 -3.36 116.25 113.35 2wh3 h VAL 18 Ca 0.00 -1.62 0.21 0.00 0.82 0.00 0.00 66.70 66.12 2wh3 h VAL 18 Cb 0.00 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2wh3 h VAL 18 CO 0.00 0.16 0.68 0.03 0.02 0.00 0.00 177.57 178.46 2wh3 h ARG 19 N -1.00 0.00 -6.00 1.57 3.08 -1.78 -3.39 114.38 106.87 2wh3 h ARG 19 Ca -0.18 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.18 2wh3 h ARG 19 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 2wh3 h ARG 19 CO -0.11 0.00 1.39 0.00 -1.07 0.00 0.00 179.97 180.18 2wh3 n ALA 20 N -2.47 0.91 -2.51 0.04 0.00 -1.26 -4.87 120.51 110.35 2wh3 n ALA 20 Ca 0.15 -0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 2wh3 n ALA 20 Cb 0.94 -2.46 -0.11 0.00 0.00 0.00 0.00 19.45 17.83 2wh3 n ALA 20 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2wh3 s TYR 21 N 6.99 2.17 0.00 0.00 1.13 -1.26 -5.10 117.35 121.28 2wh3 s TYR 21 Ca 1.11 -0.85 0.00 0.00 -1.41 0.00 0.00 57.07 55.92 2wh3 s TYR 21 Cb -0.97 -1.47 0.00 0.00 -1.10 0.00 0.00 41.96 38.42 2wh3 s TYR 21 CO 0.52 0.17 0.00 2.41 -2.51 0.00 0.00 175.55 176.14 2wh3 n THR 22 N -0.79 0.00 0.00 -3.49 -1.04 -1.26 -5.00 114.28 102.69 2wh3 n THR 22 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2wh3 n THR 22 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 2wh3 n THR 22 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2wh3 n ARG 23 N 0.00 0.00 -1.73 -2.82 3.00 -1.26 -5.00 116.66 108.85 2wh3 n ARG 23 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 2wh3 n ARG 23 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.50 2wh3 n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wh3 h VAL 25 N 1.51 0.92 0.39 0.00 2.07 -1.84 -3.39 116.25 115.91 2wh3 h VAL 25 Ca -0.50 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 64.71 2wh3 h VAL 25 Cb 1.30 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 33.56 2wh3 h VAL 25 CO 0.57 0.58 -0.25 0.03 0.02 0.00 0.00 177.57 178.53 2wh3 h ARG 26 N -0.54 -0.58 -6.67 1.57 3.08 -1.92 -3.43 114.38 105.89 2wh3 h ARG 26 Ca -0.34 0.04 -0.45 0.00 0.07 0.00 0.00 59.98 59.30 2wh3 h ARG 26 Cb 1.60 0.13 0.03 0.00 0.08 0.00 0.00 29.97 31.81 2wh3 h ARG 26 CO -0.05 -0.38 -0.12 0.00 -1.07 0.00 0.00 179.97 178.34 2wh3 n GLY 28 N -2.06 -0.66 3.05 0.00 0.00 -1.26 -4.22 105.19 100.04 2wh3 n GLY 28 Ca 0.02 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2wh3 n GLY 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wh3 n ARG 29 N -0.60 -0.10 0.00 1.61 0.63 -1.26 -4.47 116.66 112.48 2wh3 n ARG 29 Ca 0.22 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 2wh3 n ARG 29 Cb 0.20 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 32.00 2wh3 n ARG 29 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wh3 n ALA 30 N -2.95 1.00 -2.30 5.13 0.00 -1.26 -0.33 120.51 119.81 2wh3 n ALA 30 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 2wh3 n ALA 30 Cb 0.61 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 2wh3 n ALA 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wh3 s ARG 31 N -1.00 4.09 -1.33 0.00 0.52 -1.26 -4.18 118.95 115.78 2wh3 s ARG 31 Ca 0.00 0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 55.78 2wh3 s ARG 31 Cb 0.00 -3.03 0.02 0.00 0.52 0.00 0.00 34.95 32.45 2wh3 s ARG 31 CO 0.00 0.53 0.95 -1.13 0.02 0.00 0.00 175.30 175.67 2wh3 n SER 32 N 1.12 -3.30 -4.40 0.23 3.41 -1.26 -4.64 113.62 104.78 2wh3 n SER 32 Ca -0.07 -0.69 -0.45 0.00 -0.26 0.00 0.00 58.87 57.41 2wh3 n SER 32 Cb 0.51 -4.57 -0.03 0.00 -0.26 0.00 0.00 64.21 59.87 2wh3 n SER 32 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wh3 s VAL 33 N -3.43 4.95 0.26 -3.33 1.01 -1.26 -1.56 120.40 117.03 2wh3 s VAL 33 Ca 0.26 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 2wh3 s VAL 33 Cb -0.12 -4.63 -0.14 0.00 0.00 0.00 0.00 36.38 31.49 2wh3 s VAL 33 CO 0.77 -1.30 1.21 -1.22 0.00 0.00 0.00 175.10 174.56 2wh3 n TYR 34 N 5.91 1.71 -0.01 5.22 4.02 0.22 -4.81 117.16 129.41 2wh3 n TYR 34 Ca 0.12 0.59 -0.18 0.00 -0.01 0.00 0.00 57.90 58.43 2wh3 n TYR 34 Cb 0.47 -2.35 -0.08 0.00 -0.02 0.00 0.00 39.34 37.36 2wh3 n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wh3 h ARG 35 N 3.08 0.75 0.29 -0.72 3.08 -1.96 -2.21 114.38 116.67 2wh3 h ARG 35 Ca -0.43 -0.64 -0.00 0.00 0.07 0.00 0.00 59.98 58.98 2wh3 h ARG 35 Cb 1.31 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 2wh3 h ARG 35 CO 0.68 1.24 -0.45 0.35 -1.07 0.00 0.00 179.97 180.72 2wh3 h PHE 36 N 0.46 -1.28 0.00 3.04 3.04 -1.94 -2.82 116.94 117.44 2wh3 h PHE 36 Ca -0.06 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2wh3 h PHE 36 Cb 1.42 0.52 0.00 0.00 2.56 0.00 0.00 35.95 40.45 2wh3 h PHE 36 CO 0.09 -0.56 -0.15 1.19 -2.02 0.00 0.00 178.31 176.87 2wh3 n PHE 37 N -5.09 0.07 -2.12 0.41 0.99 -1.26 -4.89 117.46 105.58 2wh3 n PHE 37 Ca -0.09 0.02 -0.17 0.00 -0.00 0.00 0.00 57.45 57.21 2wh3 n PHE 37 Cb 0.38 -0.46 -0.02 0.00 -1.00 0.00 0.00 39.48 38.38 2wh3 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2wh3 n GLY 38 N 1.49 0.15 3.45 1.37 0.00 -0.85 -4.97 105.19 105.83 2wh3 n GLY 38 Ca 0.06 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 2wh3 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh3 s LEU 39 N -4.55 2.57 0.46 0.99 1.43 -1.10 -2.73 118.68 115.75 2wh3 s LEU 39 Ca 0.00 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 2wh3 s LEU 39 Cb 0.00 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.43 2wh3 s LEU 39 CO 0.00 -0.23 0.67 0.00 0.23 0.00 0.00 176.35 177.02 2wh3 n ARG 41 N -2.08 0.07 -0.13 0.00 -4.01 -0.60 -2.33 116.66 107.57 2wh3 n ARG 41 Ca 0.03 0.55 -0.27 0.00 -1.04 0.00 0.00 57.85 57.12 2wh3 n ARG 41 Cb 0.58 -1.75 -0.11 0.00 -3.04 0.00 0.00 32.46 28.14 2wh3 n ARG 41 CO 0.00 0.00 0.00 -0.89 -3.04 0.00 0.00 177.63 173.70 2wh3 n ILE 42 N -1.86 1.54 -0.58 8.89 5.41 -1.26 -3.85 119.36 127.64 2wh3 n ILE 42 Ca -0.01 -0.33 -0.02 0.00 1.00 0.00 0.00 62.75 63.39 2wh3 n ILE 42 Cb 0.05 -1.87 -0.02 0.00 -0.71 0.00 0.00 39.64 37.08 2wh3 n ILE 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wh3 n LEU 44 N 1.60 0.20 0.18 0.00 0.00 -1.14 -4.57 117.00 113.28 2wh3 n LEU 44 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.12 2wh3 n LEU 44 Cb 0.56 0.00 0.33 0.00 0.00 0.00 0.00 43.42 44.31 2wh3 n LEU 44 CO 0.03 -0.22 0.67 -0.09 0.00 0.00 0.00 177.39 177.77 2wh3 h ARG 45 N 0.00 0.00 0.54 1.96 2.43 -1.58 -1.68 114.38 116.05 2wh3 h ARG 45 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2wh3 h ARG 45 Cb 0.18 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2wh3 h ARG 45 CO 0.00 0.40 -0.26 0.93 -1.51 0.00 0.00 179.97 179.53 2wh3 h GLU 46 N 0.00 -0.70 0.14 0.20 5.08 -1.69 -3.08 114.58 114.53 2wh3 h GLU 46 Ca -0.00 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2wh3 h GLU 46 Cb 0.88 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2wh3 h GLU 46 CO 0.05 -0.47 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.46 2wh3 h LEU 47 N -1.14 -0.16 -0.84 1.33 3.38 -1.80 -3.07 115.31 113.01 2wh3 h LEU 47 Ca -0.07 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.02 2wh3 h LEU 47 Cb 0.56 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.19 2wh3 h LEU 47 CO 0.12 -0.06 -0.23 0.00 0.09 0.00 0.00 178.44 178.36 2wh3 h ALA 48 N 0.60 0.50 -0.46 1.53 0.00 -1.44 0.93 119.26 120.92 2wh3 h ALA 48 Ca -0.02 0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2wh3 h ALA 48 Cb 0.20 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2wh3 h ALA 48 CO 0.03 -0.43 0.30 0.45 0.00 0.00 0.00 179.25 179.61 2wh3 h HIS 49 N -0.01 0.57 0.00 0.00 3.86 -1.46 0.15 115.15 118.27 2wh3 h HIS 49 Ca 0.39 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 2wh3 h HIS 49 Cb 0.61 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2wh3 h HIS 49 CO -0.68 0.36 0.00 1.63 0.86 0.00 0.00 177.93 180.11 2wh3 n LYS 50 N -4.47 0.94 0.00 2.45 5.02 0.32 -4.86 118.16 117.57 2wh3 n LYS 50 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2wh3 n LYS 50 Cb 0.06 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2wh3 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh3 n GLY 51 N 0.42 1.13 0.00 0.72 0.00 0.54 -4.79 105.19 103.20 2wh3 n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh3 n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh3 n GLN 52 N -1.30 0.00 -3.74 1.61 6.02 -1.17 -4.31 117.38 114.50 2wh3 n GLN 52 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 2wh3 n GLN 52 Cb 0.00 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.64 2wh3 n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2wh3 s LEU 53 N -1.53 4.58 -0.43 1.08 1.43 -1.26 -4.94 118.68 117.62 2wh3 s LEU 53 Ca 0.00 -1.35 -0.43 0.00 -1.03 0.00 0.00 54.13 51.32 2wh3 s LEU 53 Cb 0.00 -1.88 -0.18 0.00 0.03 0.00 0.00 46.19 44.17 2wh3 s LEU 53 CO 0.00 -0.39 1.85 -2.65 0.23 0.00 0.00 176.35 175.39 2wh3 n PRO 54 N 4.79 0.43 0.00 1.29 -0.02 -1.26 -2.00 135.00 138.23 2wh3 n PRO 54 Ca -0.11 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2wh3 n PRO 54 Cb 0.44 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2wh3 n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh3 n GLY 55 N 5.30 1.61 3.59 -1.23 0.00 -1.26 -4.94 105.19 108.26 2wh3 n GLY 55 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 2wh3 n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh3 s VAL 56 N -1.19 3.55 0.08 1.61 1.01 -0.85 -4.97 120.40 119.64 2wh3 s VAL 56 Ca 0.00 0.54 0.10 0.00 0.00 0.00 0.00 61.98 62.62 2wh3 s VAL 56 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2wh3 s VAL 56 CO 0.00 -0.53 -0.26 -0.60 0.00 0.00 0.00 175.10 173.71 2wh3 s ARG 57 N 5.65 1.66 -0.36 2.72 3.52 -1.26 -4.88 118.95 126.00 2wh3 s ARG 57 Ca 0.75 -1.20 -0.35 0.00 -0.13 0.00 0.00 55.73 54.79 2wh3 s ARG 57 Cb -0.20 -1.97 -0.12 0.00 -1.56 0.00 0.00 34.95 31.11 2wh3 s ARG 57 CO 0.32 0.49 2.20 1.17 -0.81 0.00 0.00 175.30 178.67 2wh3 n LYS 58 N 1.35 1.04 -1.84 5.12 0.00 -1.26 -4.88 118.16 117.69 2wh3 n LYS 58 Ca -0.17 0.28 -0.37 0.00 0.00 0.00 0.00 58.31 58.04 2wh3 n LYS 58 Cb 0.52 -2.45 0.05 0.00 0.00 0.00 0.00 35.03 33.15 2wh3 n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wh3 s ALA 59 N 7.39 2.60 -0.30 3.14 0.00 -1.26 -5.03 121.76 128.31 2wh3 s ALA 59 Ca 1.10 1.20 -0.10 0.00 0.00 0.00 0.00 51.96 54.16 2wh3 s ALA 59 Cb -0.86 -3.53 0.18 0.00 0.00 0.00 0.00 23.12 18.91 2wh3 s ALA 59 CO 0.49 -1.37 0.96 0.45 0.00 0.00 0.00 175.76 176.29 2wh3 s SER 60 N -1.28 -0.65 0.00 0.00 0.15 -1.26 -5.33 113.70 105.33 2wh3 s SER 60 Ca 0.77 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.74 2wh3 s SER 60 Cb -0.37 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 2wh3 s SER 60 CO 0.41 -0.12 0.00 -2.67 1.20 0.00 0.00 173.24 172.06