#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n ARG 3 N 0.00 0.16 -0.05 0.00 0.63 -1.26 -4.73 116.66 111.42 3knl n ARG 3 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 3knl n ARG 3 Cb 0.00 -0.62 -0.01 0.00 0.45 0.00 0.00 32.46 32.28 3knl n ARG 3 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3knl n LYS 4 N -1.60 0.30 0.05 -0.14 3.00 -1.26 -3.58 118.16 114.93 3knl n LYS 4 Ca 0.00 0.41 0.18 0.00 -0.00 0.00 0.00 58.31 58.90 3knl n LYS 4 Cb 0.12 -1.34 0.45 0.00 0.00 0.00 0.00 35.03 34.26 3knl n LYS 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knl h ALA 5 N -1.35 2.36 0.15 3.14 0.00 -2.00 0.27 119.26 121.83 3knl h ALA 5 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 3knl h ALA 5 Cb 0.36 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3knl h ALA 5 CO 0.00 -1.17 -1.69 -0.07 0.00 0.00 0.00 179.25 176.32 3knl h LEU 6 N 0.00 0.50 -1.34 0.00 3.38 -1.85 -1.73 115.31 114.26 3knl h LEU 6 Ca 0.25 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3knl h LEU 6 Cb 2.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.62 3knl h LEU 6 CO -0.00 1.64 0.00 0.16 0.09 0.00 0.00 178.44 180.33 3knl h ILE 7 N 0.09 0.00 0.05 1.22 3.07 -0.52 -2.25 117.51 119.16 3knl h ILE 7 Ca -0.31 -0.13 -0.27 0.00 1.55 0.00 0.00 64.86 65.70 3knl h ILE 7 Cb 2.06 0.80 -0.02 0.00 -0.27 0.00 0.00 36.82 39.38 3knl h ILE 7 CO 0.16 0.00 -1.45 -0.08 -1.05 0.00 0.00 178.15 175.73 3knl h GLU 8 N 0.00 0.10 0.00 0.16 4.57 -1.47 -3.33 114.58 114.62 3knl h GLU 8 Ca 0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3knl h GLU 8 Cb 0.17 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3knl h GLU 8 CO 0.00 1.08 0.00 1.17 -1.18 0.00 0.00 179.01 180.08 3knl n LYS 9 N -4.12 0.01 0.00 1.92 4.81 -0.65 -1.07 118.16 119.07 3knl n LYS 9 Ca -0.31 0.39 -0.12 0.00 -0.87 0.00 0.00 58.31 57.40 3knl n LYS 9 Cb 0.80 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 34.22 3knl n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3knl h ALA 10 N 2.13 0.61 0.00 3.14 0.00 -1.56 -3.34 119.26 120.23 3knl h ALA 10 Ca 0.00 -1.36 -0.06 0.00 0.00 0.00 0.00 54.91 53.49 3knl h ALA 10 Cb 0.05 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3knl h ALA 10 CO 0.00 1.45 -0.26 0.87 0.00 0.00 0.00 179.25 181.31 3knl h LYS 11 N 0.02 0.00 -2.41 0.00 1.57 -1.20 -3.34 116.57 111.20 3knl h LYS 11 Ca -0.28 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.20 3knl h LYS 11 Cb 2.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.27 3knl h LYS 11 CO 0.10 0.26 0.87 0.54 -0.57 0.00 0.00 179.45 180.65 3knl n ARG 12 N -3.21 2.24 -0.07 3.15 1.74 -1.01 -4.75 116.66 114.74 3knl n ARG 12 Ca 0.02 -1.23 0.05 0.00 -0.77 0.00 0.00 57.85 55.93 3knl n ARG 12 Cb 0.59 -2.18 0.10 0.00 -1.02 0.00 0.00 32.46 29.96 3knl n ARG 12 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3knl n THR 13 N 2.91 -0.09 -0.47 0.55 -1.04 -1.26 -4.67 114.28 110.22 3knl n THR 13 Ca 0.48 0.42 -0.16 0.00 -2.04 0.00 0.00 64.05 62.75 3knl n THR 13 Cb 0.63 -0.66 0.01 0.00 -1.82 0.00 0.00 70.33 68.49 3knl n THR 13 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3knl n PRO 14 N -3.63 0.00 -0.10 -2.82 -0.02 -1.26 -4.81 135.00 122.36 3knl n PRO 14 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3knl n PRO 14 Cb 0.23 -0.42 -0.00 0.00 -0.02 0.00 0.00 33.50 33.29 3knl n PRO 14 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3knl n LYS 15 N 0.86 -0.26 0.00 -0.52 4.76 -1.26 -4.90 118.16 116.83 3knl n LYS 15 Ca 0.01 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 3knl n LYS 15 Cb 0.22 -0.26 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 3knl n LYS 15 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3knl n PHE 16 N -1.61 0.00 -0.39 2.13 3.72 -1.26 -4.67 117.46 115.37 3knl n PHE 16 Ca -0.00 0.00 0.34 0.00 -0.05 0.00 0.00 57.45 57.74 3knl n PHE 16 Cb 0.03 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.15 3knl n PHE 16 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 3knl n LYS 17 N 0.00 -0.03 0.28 -1.08 2.85 -1.26 -0.01 118.16 118.91 3knl n LYS 17 Ca 0.00 1.10 0.13 0.00 -1.05 0.00 0.00 58.31 58.49 3knl n LYS 17 Cb 0.00 -2.14 0.83 0.00 -0.65 0.00 0.00 35.03 33.07 3knl n LYS 17 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 3knl h VAL 18 N 0.00 0.62 0.00 0.58 -1.51 -1.97 -2.07 116.25 111.90 3knl h VAL 18 Ca 0.76 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 66.09 3knl h VAL 18 Cb 2.38 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 32.63 3knl h VAL 18 CO -0.44 0.03 0.00 0.54 -1.23 0.00 0.00 177.57 176.47 3knl n ARG 19 N -3.91 0.73 -1.93 5.19 1.74 0.98 -4.79 116.66 114.68 3knl n ARG 19 Ca -0.03 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.73 3knl n ARG 19 Cb 0.12 -1.31 0.02 0.00 -1.02 0.00 0.00 32.46 30.27 3knl n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knl s ALA 20 N -2.00 2.81 -0.19 7.54 0.00 -0.78 -5.06 121.76 124.08 3knl s ALA 20 Ca 0.21 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 3knl s ALA 20 Cb 0.10 -3.18 0.13 0.00 0.00 0.00 0.00 23.12 20.17 3knl s ALA 20 CO 0.17 -0.84 1.03 1.52 0.00 0.00 0.00 175.76 177.64 3knl s TYR 21 N -2.75 -0.37 1.19 0.00 1.13 -1.26 -5.14 117.35 110.15 3knl s TYR 21 Ca 0.60 0.70 -0.15 0.00 -1.41 0.00 0.00 57.07 56.81 3knl s TYR 21 Cb -0.14 0.43 0.25 0.00 -1.10 0.00 0.00 41.96 41.41 3knl s TYR 21 CO 0.44 -0.30 0.72 0.25 -2.51 0.00 0.00 175.55 174.15 3knl n THR 22 N 1.04 0.00 -2.96 -3.49 -2.24 -1.26 -4.97 114.28 100.40 3knl n THR 22 Ca -0.10 -0.44 0.04 0.00 -2.27 0.00 0.00 64.05 61.28 3knl n THR 22 Cb 0.57 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3knl n THR 22 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3knl s ARG 23 N -4.12 0.11 -0.25 -0.78 6.06 -1.26 -4.88 118.95 113.83 3knl s ARG 23 Ca 0.65 0.03 -0.18 0.00 -2.50 0.00 0.00 55.73 53.73 3knl s ARG 23 Cb -0.22 0.03 -0.08 0.00 0.06 0.00 0.00 34.95 34.74 3knl s ARG 23 CO 0.66 -0.18 0.95 0.00 -2.50 0.00 0.00 175.30 174.23 3knl h VAL 25 N 3.07 0.26 0.00 0.00 2.07 -0.02 -3.14 116.25 118.49 3knl h VAL 25 Ca -0.04 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3knl h VAL 25 Cb 0.60 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3knl h VAL 25 CO 0.49 0.04 0.00 -2.11 0.02 0.00 0.00 177.57 176.00 3knl n ARG 26 N -4.69 0.00 -1.66 1.57 1.85 -1.26 -4.71 116.66 107.76 3knl n ARG 26 Ca 0.33 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.81 3knl n ARG 26 Cb 1.23 -0.03 -0.03 0.00 -1.05 0.00 0.00 32.46 32.58 3knl n ARG 26 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knl n GLY 28 N 5.92 0.00 3.08 0.00 0.00 -1.19 -4.20 105.19 108.80 3knl n GLY 28 Ca 0.33 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 3knl n GLY 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knl n ARG 29 N 0.50 -0.32 -0.03 1.61 3.00 -1.26 -4.63 116.66 115.53 3knl n ARG 29 Ca 0.00 -0.09 -0.08 0.00 -0.00 0.00 0.00 57.85 57.68 3knl n ARG 29 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 32.46 31.25 3knl n ARG 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knl n ALA 30 N -3.49 2.31 -2.09 5.13 0.00 -1.26 -3.14 120.51 117.97 3knl n ALA 30 Ca -0.01 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.77 3knl n ALA 30 Cb 0.68 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.44 3knl n ALA 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3knl s ARG 31 N -2.23 3.59 -1.01 0.00 1.70 -1.26 -4.52 118.95 115.21 3knl s ARG 31 Ca -0.13 0.46 -0.15 0.00 -0.47 0.00 0.00 55.73 55.45 3knl s ARG 31 Cb 0.04 -2.25 0.00 0.00 -0.57 0.00 0.00 34.95 32.18 3knl s ARG 31 CO 0.17 -0.35 0.72 0.43 -1.08 0.00 0.00 175.30 175.19 3knl n SER 32 N -2.40 -5.44 -3.96 -2.89 7.64 -1.26 -4.71 113.62 100.61 3knl n SER 32 Ca 0.03 -0.90 -0.28 0.00 1.01 0.00 0.00 58.87 58.72 3knl n SER 32 Cb 0.55 -3.02 -0.17 0.00 -1.01 0.00 0.00 64.21 60.56 3knl n SER 32 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3knl s VAL 33 N -3.29 1.29 0.31 0.44 -7.23 -1.26 0.13 120.40 110.79 3knl s VAL 33 Ca 0.29 -0.50 -0.27 0.00 -1.81 0.00 0.00 61.98 59.70 3knl s VAL 33 Cb -0.12 -1.28 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 3knl s VAL 33 CO 0.87 0.38 0.97 -0.31 -0.31 0.00 0.00 175.10 176.70 3knl s TYR 34 N 1.59 3.71 -0.10 2.82 1.51 -0.74 -4.95 117.35 121.19 3knl s TYR 34 Ca 0.04 1.79 0.29 0.00 -1.01 0.00 0.00 57.07 58.19 3knl s TYR 34 Cb -0.13 -3.00 0.94 0.00 -0.11 0.00 0.00 41.96 39.66 3knl s TYR 34 CO -0.09 0.09 1.83 0.00 -1.11 0.00 0.00 175.55 176.27 3knl h ARG 35 N 3.42 0.00 -0.02 -0.62 3.08 -2.00 -2.88 114.38 115.36 3knl h ARG 35 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3knl h ARG 35 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3knl h ARG 35 CO 0.66 0.02 0.00 0.34 -1.07 0.00 0.00 179.97 179.92 3knl n PHE 36 N -3.11 0.01 0.00 3.04 -0.00 -1.26 -4.42 117.46 111.71 3knl n PHE 36 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3knl n PHE 36 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.88 3knl n PHE 36 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3knl n PHE 37 N -0.10 0.00 -0.98 -5.13 3.72 -1.18 -4.97 117.46 108.83 3knl n PHE 37 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 3knl n PHE 37 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 3knl n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3knl n GLY 38 N 1.27 0.49 3.87 1.37 0.00 -1.09 -4.97 105.19 106.14 3knl n GLY 38 Ca 0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3knl n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knl s LEU 39 N 0.00 2.60 0.37 0.99 1.43 -1.26 0.73 118.68 123.54 3knl s LEU 39 Ca 0.00 -1.35 0.08 0.00 -1.03 0.00 0.00 54.13 51.83 3knl s LEU 39 Cb 0.00 -1.08 -0.07 0.00 0.03 0.00 0.00 46.19 45.07 3knl s LEU 39 CO 0.00 -1.06 -0.03 0.00 0.23 0.00 0.00 176.35 175.50 3knl h ARG 41 N 1.91 0.00 0.00 0.00 -0.00 -0.59 0.36 114.38 116.05 3knl h ARG 41 Ca -0.43 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.32 3knl h ARG 41 Cb 1.24 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.18 3knl h ARG 41 CO 0.76 0.00 -1.54 -0.89 -0.00 0.00 0.00 179.97 178.30 3knl n ILE 42 N -3.41 1.51 0.20 0.08 5.41 -1.26 -3.83 119.36 118.05 3knl n ILE 42 Ca 0.03 -0.08 -0.17 0.00 1.00 0.00 0.00 62.75 63.53 3knl n ILE 42 Cb 0.49 -2.10 -0.10 0.00 -0.71 0.00 0.00 39.64 37.22 3knl n ILE 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3knl h LEU 44 N -0.86 -1.37 -1.98 0.00 5.85 -1.17 1.05 115.31 116.83 3knl h LEU 44 Ca -0.03 0.20 0.23 0.00 0.84 0.00 0.00 57.88 59.11 3knl h LEU 44 Cb 0.81 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 3knl h LEU 44 CO -0.18 -0.21 0.56 -0.09 -0.34 0.00 0.00 178.44 178.19 3knl h ARG 45 N -0.12 0.01 0.61 1.25 2.43 -1.60 0.52 114.38 117.49 3knl h ARG 45 Ca 0.08 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3knl h ARG 45 Cb 0.33 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3knl h ARG 45 CO -0.53 0.01 -0.29 0.93 -1.51 0.00 0.00 179.97 178.57 3knl h GLU 46 N 0.01 -0.79 0.00 0.20 5.08 0.36 -2.71 114.58 116.74 3knl h GLU 46 Ca 0.37 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 3knl h GLU 46 Cb 1.48 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 3knl h GLU 46 CO -0.01 -0.48 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.33 3knl h LEU 47 N -1.06 0.00 0.29 1.33 3.38 0.32 -2.47 115.31 117.10 3knl h LEU 47 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3knl h LEU 47 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3knl h LEU 47 CO 0.14 0.12 -0.14 0.00 0.09 0.00 0.00 178.44 178.65 3knl h ALA 48 N 1.88 -0.39 -0.28 1.53 0.00 0.10 -0.96 119.26 121.13 3knl h ALA 48 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3knl h ALA 48 Cb 0.33 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3knl h ALA 48 CO 0.02 -0.67 -0.04 0.45 0.00 0.00 0.00 179.25 179.00 3knl h HIS 49 N -0.49 0.46 0.00 0.00 3.86 -1.21 -2.58 115.15 115.19 3knl h HIS 49 Ca -0.04 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 3knl h HIS 49 Cb 0.36 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3knl h HIS 49 CO -0.03 0.49 0.00 0.87 0.86 0.00 0.00 177.93 180.11 3knl h LYS 50 N 0.42 0.00 0.00 2.45 1.57 -1.23 -3.47 116.57 116.31 3knl h LYS 50 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3knl h LYS 50 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3knl h LYS 50 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 3knl n GLY 51 N 0.60 1.06 0.00 3.86 0.00 -0.40 -4.91 105.19 105.39 3knl n GLY 51 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 3knl n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3knl n GLN 52 N -2.00 0.33 -3.83 1.61 6.02 -0.97 -4.54 117.38 114.00 3knl n GLN 52 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 3knl n GLN 52 Cb 0.00 -1.23 -0.13 0.00 1.02 0.00 0.00 30.24 29.90 3knl n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3knl s LEU 53 N -1.47 4.14 -0.22 1.08 1.43 -1.24 -5.01 118.68 117.39 3knl s LEU 53 Ca 0.07 -1.25 -0.34 0.00 -1.03 0.00 0.00 54.13 51.58 3knl s LEU 53 Cb 0.03 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 3knl s LEU 53 CO 0.06 -0.30 2.06 -2.65 0.23 0.00 0.00 176.35 175.74 3knl n PRO 54 N 4.70 1.67 -3.36 1.29 -0.02 -1.26 -2.80 135.00 135.22 3knl n PRO 54 Ca -0.12 0.54 -0.18 0.00 -2.02 0.00 0.00 63.50 61.72 3knl n PRO 54 Cb 0.44 -2.66 0.07 0.00 -0.02 0.00 0.00 33.50 31.32 3knl n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knl n GLY 55 N 5.46 -0.98 2.80 -1.23 0.00 -1.26 -5.02 105.19 104.96 3knl n GLY 55 Ca 0.31 0.47 -0.23 0.00 0.00 0.00 0.00 46.02 46.57 3knl n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knl s VAL 56 N -3.41 0.49 0.03 1.61 1.01 -1.12 -5.14 120.40 113.86 3knl s VAL 56 Ca 0.37 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3knl s VAL 56 Cb -0.06 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3knl s VAL 56 CO 0.76 0.28 -0.07 -0.60 0.00 0.00 0.00 175.10 175.47 3knl s ARG 57 N 1.88 0.48 -0.58 2.72 3.52 -1.26 -4.95 118.95 120.76 3knl s ARG 57 Ca 0.04 -0.62 -0.40 0.00 -0.13 0.00 0.00 55.73 54.62 3knl s ARG 57 Cb -0.12 -0.28 -0.18 0.00 -1.56 0.00 0.00 34.95 32.80 3knl s ARG 57 CO -0.05 0.05 2.26 1.63 -0.81 0.00 0.00 175.30 178.38 3knl n LYS 58 N 1.79 0.16 -0.39 5.12 4.76 -1.26 -4.91 118.16 123.42 3knl n LYS 58 Ca -0.21 0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 54.98 3knl n LYS 58 Cb 0.55 -1.66 0.27 0.00 -1.84 0.00 0.00 35.03 32.35 3knl n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3knl n ALA 59 N 8.58 -3.84 0.00 7.82 0.00 -1.26 -5.05 120.51 126.76 3knl n ALA 59 Ca 0.55 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3knl n ALA 59 Cb 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3knl n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knl n SER 60 N -5.03 0.00 0.00 0.00 2.88 -1.26 -5.33 113.62 104.87 3knl n SER 60 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 3knl n SER 60 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3knl n SER 60 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14