#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk6 n GLY 2 N 0.00 2.41 2.71 3.17 0.00 -1.26 -3.74 105.19 108.49 2kk6 n GLY 2 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2kk6 n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kk6 n HIS 3 N -1.87 -1.49 -1.40 1.61 -0.00 -1.26 -4.91 115.22 105.91 2kk6 n HIS 3 Ca 0.00 0.22 -0.37 0.00 -0.00 0.00 0.00 57.72 57.58 2kk6 n HIS 3 Cb 0.00 -3.84 0.07 0.00 -0.00 0.00 0.00 29.99 26.22 2kk6 n HIS 3 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kk6 n HIS 4 N -4.07 0.09 -3.56 1.57 -0.00 -1.25 -5.02 115.22 102.99 2kk6 n HIS 4 Ca -0.16 0.39 -0.29 0.00 -0.00 0.00 0.00 57.72 57.66 2kk6 n HIS 4 Cb 0.64 -2.03 -0.15 0.00 -0.00 0.00 0.00 29.99 28.45 2kk6 n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk6 s HIS 5 N -1.77 0.40 0.24 -1.40 -0.00 -1.26 -5.03 115.29 106.48 2kk6 s HIS 5 Ca 0.71 -0.90 0.06 0.00 -0.00 0.00 0.00 55.06 54.93 2kk6 s HIS 5 Cb -0.37 -0.94 0.27 0.00 -0.00 0.00 0.00 32.58 31.54 2kk6 s HIS 5 CO 0.52 -0.81 1.57 1.25 -0.00 0.00 0.00 174.74 177.27 2kk6 h HIS 6 N 8.39 0.24 -3.27 0.38 -0.00 -2.05 -3.42 115.15 115.41 2kk6 h HIS 6 Ca -0.19 -0.09 -0.61 0.00 -0.00 0.00 0.00 60.37 59.48 2kk6 h HIS 6 Cb 1.02 -0.04 -0.14 0.00 -0.00 0.00 0.00 27.41 28.25 2kk6 h HIS 6 CO 0.29 0.75 -0.53 -3.38 -0.00 0.00 0.00 177.93 175.06 2kk6 s HIS 7 N -3.72 3.33 -1.69 5.26 -0.00 -1.26 -4.97 115.29 112.25 2kk6 s HIS 7 Ca -0.03 0.20 0.26 0.00 -0.00 0.00 0.00 55.06 55.49 2kk6 s HIS 7 Cb 0.12 -2.12 0.77 0.00 -0.00 0.00 0.00 32.58 31.35 2kk6 s HIS 7 CO 0.79 0.22 1.58 1.58 -0.00 0.00 0.00 174.74 178.91 2kk6 n HIS 8 N 3.51 0.00 -1.63 0.38 -0.00 -1.26 -4.95 115.22 111.28 2kk6 n HIS 8 Ca -0.16 0.00 -0.52 0.00 -0.00 0.00 0.00 57.72 57.04 2kk6 n HIS 8 Cb 0.52 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.99 30.31 2kk6 n HIS 8 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2kk6 n SER 9 N -0.73 2.78 -3.80 0.26 3.41 -1.26 -4.97 113.62 109.31 2kk6 n SER 9 Ca 0.12 0.83 -0.13 0.00 -0.26 0.00 0.00 58.87 59.44 2kk6 n SER 9 Cb 0.34 -1.28 -0.11 0.00 -0.26 0.00 0.00 64.21 62.90 2kk6 n SER 9 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2kk6 s HIS 10 N 4.91 -0.22 0.24 7.33 0.09 -1.26 -5.16 115.29 121.22 2kk6 s HIS 10 Ca 0.99 0.51 -0.30 0.00 -0.00 0.00 0.00 55.06 56.26 2kk6 s HIS 10 Cb -0.84 0.07 -0.09 0.00 -0.00 0.00 0.00 32.58 31.72 2kk6 s HIS 10 CO 0.55 -0.18 0.94 0.00 -0.00 0.00 0.00 174.74 176.06 2kk6 s MET 11 N -0.22 4.85 0.08 1.40 0.00 -1.26 -5.06 119.30 119.08 2kk6 s MET 11 Ca -0.03 1.49 -0.14 0.00 0.00 0.00 0.00 55.69 57.01 2kk6 s MET 11 Cb -0.03 -3.28 -0.06 0.00 0.00 0.00 0.00 34.83 31.46 2kk6 s MET 11 CO 0.01 0.50 0.47 0.15 0.00 0.00 0.00 175.02 176.16 2kk6 s LYS 12 N -1.14 3.94 0.79 3.16 -0.14 -1.26 -5.09 119.74 120.00 2kk6 s LYS 12 Ca 0.41 0.42 -0.14 0.00 -1.36 0.00 0.00 55.97 55.30 2kk6 s LYS 12 Cb -0.26 -3.07 0.06 0.00 -1.68 0.00 0.00 37.83 32.88 2kk6 s LYS 12 CO 0.32 0.58 1.11 -0.35 -0.76 0.00 0.00 175.35 176.25 2kk6 n PRO 13 N 1.24 0.27 -0.34 -1.68 -0.04 -1.26 -4.83 135.00 128.35 2kk6 n PRO 13 Ca -0.09 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.66 2kk6 n PRO 13 Cb 0.52 -2.36 0.32 0.00 -0.04 0.00 0.00 33.50 31.94 2kk6 n PRO 13 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2kk6 h LEU 14 N -0.73 0.71 -1.32 1.53 5.85 -1.98 0.40 115.31 119.77 2kk6 h LEU 14 Ca -0.47 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2kk6 h LEU 14 Cb 1.31 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2kk6 h LEU 14 CO 0.46 0.22 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 2kk6 h ALA 15 N 1.66 1.00 -0.25 1.25 0.00 -1.95 -2.42 119.26 118.54 2kk6 h ALA 15 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2kk6 h ALA 15 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2kk6 h ALA 15 CO -0.41 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.23 2kk6 n GLU 16 N -2.72 2.35 -2.66 0.00 -0.58 0.12 -4.94 120.64 112.21 2kk6 n GLU 16 Ca 0.01 -2.01 -0.42 0.00 -0.42 0.00 0.00 57.16 54.32 2kk6 n GLU 16 Cb 0.24 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2kk6 n GLU 16 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2kk6 s GLN 17 N -1.69 4.47 0.41 3.49 -1.52 -0.91 -4.94 119.66 118.96 2kk6 s GLN 17 Ca 0.35 1.45 0.10 0.00 -1.95 0.00 0.00 55.36 55.31 2kk6 s GLN 17 Cb 0.21 -3.50 0.85 0.00 -0.22 0.00 0.00 33.01 30.35 2kk6 s GLN 17 CO 0.31 -0.22 1.96 0.38 -0.25 0.00 0.00 175.29 177.47 2kk6 h ASP 18 N 7.00 0.23 1.01 5.90 2.03 -1.89 -0.78 116.42 129.92 2kk6 h ASP 18 Ca -0.36 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 2kk6 h ASP 18 Cb 1.18 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 2kk6 h ASP 18 CO 0.82 0.33 0.00 -2.67 -1.03 0.00 0.00 179.24 176.69 2kk6 n TRP 19 N -4.33 0.48 -3.25 4.15 4.27 -1.25 -2.69 117.44 114.82 2kk6 n TRP 19 Ca -0.00 0.16 -0.41 0.00 -3.89 0.00 0.00 57.50 53.35 2kk6 n TRP 19 Cb 0.22 -0.75 -0.08 0.00 -1.36 0.00 0.00 31.31 29.34 2kk6 n TRP 19 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2kk6 s TYR 20 N -3.10 3.20 -1.41 -2.67 5.04 -0.30 -1.38 117.35 116.73 2kk6 s TYR 20 Ca 0.10 0.29 0.15 0.00 -2.44 0.00 0.00 57.07 55.17 2kk6 s TYR 20 Cb 0.13 -2.87 0.41 0.00 0.35 0.00 0.00 41.96 39.98 2kk6 s TYR 20 CO 0.48 -0.47 1.33 0.72 -1.34 0.00 0.00 175.55 176.27 2kk6 n HIS 21 N 5.68 0.60 -4.15 4.97 8.25 -0.81 -4.77 115.22 124.99 2kk6 n HIS 21 Ca -0.05 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 2kk6 n HIS 21 Cb 0.49 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2kk6 n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kk6 n GLY 22 N 0.96 -1.76 3.56 -1.41 0.00 -1.25 -4.55 105.19 100.74 2kk6 n GLY 22 Ca 0.16 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 2kk6 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk6 s ALA 23 N -1.15 2.23 0.17 4.61 0.00 -1.26 -1.82 121.76 124.54 2kk6 s ALA 23 Ca 0.00 -1.85 0.10 0.00 0.00 0.00 0.00 51.96 50.22 2kk6 s ALA 23 Cb 0.00 -4.53 -0.04 0.00 0.00 0.00 0.00 23.12 18.55 2kk6 s ALA 23 CO 0.00 -4.15 -0.23 0.96 0.00 0.00 0.00 175.76 172.35 2kk6 s ILE 24 N 7.39 2.14 0.83 0.00 -4.36 -1.21 -4.87 121.20 121.12 2kk6 s ILE 24 Ca 0.57 -1.91 -0.13 0.00 -0.26 0.00 0.00 60.65 58.92 2kk6 s ILE 24 Cb -0.04 -1.97 0.10 0.00 1.25 0.00 0.00 42.46 41.80 2kk6 s ILE 24 CO -0.04 -0.13 1.19 -2.65 0.24 0.00 0.00 174.94 173.55 2kk6 n PRO 25 N 0.45 0.06 0.06 0.37 -0.02 -1.26 -4.71 135.00 129.95 2kk6 n PRO 25 Ca -0.14 0.10 0.13 0.00 -2.02 0.00 0.00 63.50 61.57 2kk6 n PRO 25 Cb 0.56 -2.43 0.61 0.00 -0.02 0.00 0.00 33.50 32.21 2kk6 n PRO 25 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2kk6 h ARG 26 N -1.09 0.14 0.65 -0.52 2.43 -2.00 -2.21 114.38 111.79 2kk6 h ARG 26 Ca -0.46 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2kk6 h ARG 26 Cb 1.29 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.82 2kk6 h ARG 26 CO 0.45 0.09 -0.31 0.82 -1.51 0.00 0.00 179.97 179.51 2kk6 h ILE 27 N 0.14 0.33 -0.68 1.20 2.04 -2.00 -2.24 117.51 116.30 2kk6 h ILE 27 Ca 0.18 -0.10 0.17 0.00 1.00 0.00 0.00 64.86 66.12 2kk6 h ILE 27 Cb 0.51 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2kk6 h ILE 27 CO -0.02 0.01 0.48 -0.33 0.00 0.00 0.00 178.15 178.29 2kk6 h GLU 28 N -0.94 0.13 -0.26 2.37 4.39 -1.77 0.13 114.58 118.63 2kk6 h GLU 28 Ca -0.09 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 2kk6 h GLU 28 Cb 0.69 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2kk6 h GLU 28 CO 0.15 0.09 -0.02 0.00 -1.16 0.00 0.00 179.01 178.06 2kk6 h ALA 29 N 1.67 0.35 0.01 3.43 0.00 -1.16 -3.28 119.26 120.28 2kk6 h ALA 29 Ca 0.33 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 2kk6 h ALA 29 Cb 1.11 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kk6 h ALA 29 CO -0.05 0.12 -0.98 -0.56 0.00 0.00 0.00 179.25 177.78 2kk6 h GLN 30 N 0.24 0.44 -0.80 0.00 3.07 -0.61 -3.34 115.11 114.11 2kk6 h GLN 30 Ca 0.07 -0.49 0.11 0.00 0.09 0.00 0.00 58.65 58.43 2kk6 h GLN 30 Cb 0.46 0.14 -0.06 0.00 0.08 0.00 0.00 27.48 28.11 2kk6 h GLN 30 CO 0.02 1.14 0.52 0.93 0.09 0.00 0.00 178.83 181.54 2kk6 h GLU 31 N 0.24 0.67 0.00 0.06 4.39 -1.09 -1.09 114.58 117.76 2kk6 h GLU 31 Ca -0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2kk6 h GLU 31 Cb 1.62 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2kk6 h GLU 31 CO 0.17 0.45 -0.36 1.47 -1.16 0.00 0.00 179.01 179.58 2kk6 n LEU 32 N -4.51 0.71 -4.51 1.33 -0.00 -1.24 -4.71 117.00 104.07 2kk6 n LEU 32 Ca 0.14 0.36 -0.42 0.00 -0.00 0.00 0.00 56.01 56.08 2kk6 n LEU 32 Cb 0.36 -0.25 -0.04 0.00 -0.00 0.00 0.00 43.42 43.50 2kk6 n LEU 32 CO 0.32 -0.09 0.88 -0.76 -0.00 0.00 0.00 177.39 177.73 2kk6 s LEU 33 N -4.25 3.92 -0.12 1.47 1.43 -0.42 -4.84 118.68 115.87 2kk6 s LEU 33 Ca 0.08 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2kk6 s LEU 33 Cb 0.13 -2.70 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 2kk6 s LEU 33 CO 0.67 -1.44 -0.13 2.29 0.23 0.00 0.00 176.35 177.97 2kk6 n LYS 34 N 8.04 0.29 -4.01 1.70 0.00 -1.26 -4.99 118.16 117.92 2kk6 n LYS 34 Ca 0.01 0.09 -0.24 0.00 -0.00 0.00 0.00 58.31 58.17 2kk6 n LYS 34 Cb 0.47 -1.15 -0.06 0.00 -0.00 0.00 0.00 35.03 34.30 2kk6 n LYS 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2kk6 s LYS 35 N -2.24 2.29 0.30 -1.58 -2.85 -1.26 -5.10 119.74 109.30 2kk6 s LYS 35 Ca -0.17 -1.82 -0.29 0.00 -1.00 0.00 0.00 55.97 52.68 2kk6 s LYS 35 Cb 0.05 -2.06 -0.10 0.00 -2.06 0.00 0.00 37.83 33.66 2kk6 s LYS 35 CO 0.26 -0.20 1.40 -1.14 0.10 0.00 0.00 175.35 175.78 2kk6 s GLN 36 N -3.99 4.27 0.00 1.78 0.74 -1.26 -3.14 119.66 118.07 2kk6 s GLN 36 Ca 0.40 2.31 0.00 0.00 0.05 0.00 0.00 55.36 58.13 2kk6 s GLN 36 Cb 0.02 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.05 2kk6 s GLN 36 CO 0.23 -0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 2kk6 n GLY 37 N 1.47 3.02 3.65 2.59 0.00 0.16 -4.99 105.19 111.09 2kk6 n GLY 37 Ca 0.04 -0.47 -0.53 0.00 0.00 0.00 0.00 46.02 45.05 2kk6 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kk6 n ASP 38 N 0.51 2.17 -3.96 1.61 9.92 -1.19 -3.78 116.55 121.85 2kk6 n ASP 38 Ca 0.00 1.09 -0.08 0.00 -0.53 0.00 0.00 54.79 55.27 2kk6 n ASP 38 Cb 0.00 -1.21 -0.09 0.00 -0.64 0.00 0.00 41.12 39.19 2kk6 n ASP 38 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2kk6 s PHE 39 N 1.90 0.29 0.05 1.24 -0.71 -1.26 -0.53 117.98 118.97 2kk6 s PHE 39 Ca 0.90 -0.72 -0.12 0.00 -1.04 0.00 0.00 56.93 55.95 2kk6 s PHE 39 Cb -0.95 -0.19 0.01 0.00 -1.21 0.00 0.00 43.02 40.68 2kk6 s PHE 39 CO 0.53 -0.43 0.27 -0.48 -1.34 0.00 0.00 175.22 173.77 2kk6 s LEU 40 N -2.64 1.05 -0.14 -1.99 2.34 -0.10 -2.64 118.68 114.55 2kk6 s LEU 40 Ca 0.02 -0.31 -0.03 0.00 0.06 0.00 0.00 54.13 53.88 2kk6 s LEU 40 Cb 0.04 1.24 -0.03 0.00 -0.56 0.00 0.00 46.19 46.88 2kk6 s LEU 40 CO -0.09 -0.63 -0.06 -0.69 -1.06 0.00 0.00 176.35 173.83 2kk6 s VAL 41 N -2.81 3.74 0.37 1.48 1.01 -0.48 -1.19 120.40 122.51 2kk6 s VAL 41 Ca -0.03 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2kk6 s VAL 41 Cb 0.00 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2kk6 s VAL 41 CO -0.05 0.51 0.08 0.00 0.00 0.00 0.00 175.10 175.64 2kk6 s ARG 42 N 0.26 1.78 0.01 2.72 1.70 -0.50 -1.93 118.95 122.99 2kk6 s ARG 42 Ca -0.04 -2.04 0.07 0.00 -0.47 0.00 0.00 55.73 53.26 2kk6 s ARG 42 Cb -0.14 -0.81 -0.03 0.00 -0.57 0.00 0.00 34.95 33.40 2kk6 s ARG 42 CO 0.03 -0.30 -0.21 -2.00 -1.08 0.00 0.00 175.30 171.74 2kk6 s GLU 43 N -3.83 2.08 0.29 3.89 2.12 -0.76 -0.61 118.70 121.88 2kk6 s GLU 43 Ca 0.30 -0.96 -0.29 0.00 0.36 0.00 0.00 54.97 54.39 2kk6 s GLU 43 Cb 0.06 -2.13 -0.09 0.00 0.26 0.00 0.00 34.13 32.23 2kk6 s GLU 43 CO 0.14 0.55 1.06 -1.12 -0.54 0.00 0.00 175.26 175.35 2kk6 s SER 44 N -1.08 7.29 -0.12 -1.70 0.01 0.13 -3.29 113.70 114.93 2kk6 s SER 44 Ca 0.12 2.17 -0.28 0.00 1.31 0.00 0.00 55.95 59.27 2kk6 s SER 44 Cb -0.10 -2.62 -0.26 0.00 0.21 0.00 0.00 66.02 63.25 2kk6 s SER 44 CO 0.02 -0.12 0.83 0.45 0.41 0.00 0.00 173.24 174.83 2kk6 h HIS 45 N 3.72 0.06 0.00 2.43 -0.00 -1.90 -3.32 115.15 116.14 2kk6 h HIS 45 Ca -0.47 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 59.85 2kk6 h HIS 45 Cb 1.21 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2kk6 h HIS 45 CO 0.59 0.99 -0.07 0.78 -0.00 0.00 0.00 177.93 180.22 2kk6 h GLY 46 N -0.89 0.00 -7.04 2.45 0.00 -1.99 -3.34 103.07 92.26 2kk6 h GLY 46 Ca -0.01 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.71 2kk6 h GLY 46 CO 0.02 0.00 -0.73 1.25 0.00 0.00 0.00 176.54 177.07 2kk6 s LYS 47 N -4.31 1.25 0.25 4.80 2.36 -1.25 -5.12 119.74 117.72 2kk6 s LYS 47 Ca -0.04 -1.91 -0.31 0.00 -2.55 0.00 0.00 55.97 51.16 2kk6 s LYS 47 Cb 0.14 -2.36 -0.12 0.00 -1.05 0.00 0.00 37.83 34.44 2kk6 s LYS 47 CO 0.56 -1.13 1.63 -0.35 1.55 0.00 0.00 175.35 177.61 2kk6 n PRO 48 N 3.71 2.65 0.00 4.03 -0.04 -1.25 -2.01 135.00 142.09 2kk6 n PRO 48 Ca 0.07 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 2kk6 n PRO 48 Cb 0.35 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2kk6 n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kk6 n GLY 49 N 2.88 1.75 3.48 0.55 0.00 -1.26 -5.00 105.19 107.59 2kk6 n GLY 49 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2kk6 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kk6 s GLU 50 N -0.49 3.21 0.17 1.61 2.12 -0.85 -4.97 118.70 119.50 2kk6 s GLU 50 Ca 0.00 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 2kk6 s GLU 50 Cb 0.00 -4.37 -0.07 0.00 0.26 0.00 0.00 34.13 29.95 2kk6 s GLU 50 CO 0.00 -1.91 0.94 0.71 -0.54 0.00 0.00 175.26 174.46 2kk6 s TYR 51 N 4.34 3.89 -0.08 5.30 1.51 -1.26 -0.70 117.35 130.35 2kk6 s TYR 51 Ca 0.28 1.84 0.02 0.00 -1.01 0.00 0.00 57.07 58.20 2kk6 s TYR 51 Cb -0.13 -3.01 0.01 0.00 -0.11 0.00 0.00 41.96 38.72 2kk6 s TYR 51 CO 0.08 0.32 -0.15 0.08 -1.11 0.00 0.00 175.55 174.77 2kk6 s VAL 52 N -0.53 1.35 0.14 0.71 1.01 0.22 -1.77 120.40 121.54 2kk6 s VAL 52 Ca 0.44 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 2kk6 s VAL 52 Cb -0.24 -1.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 2kk6 s VAL 52 CO 0.31 0.41 0.66 -0.22 0.00 0.00 0.00 175.10 176.25 2kk6 s LEU 53 N 0.70 4.47 -0.07 3.92 2.96 0.95 -1.41 118.68 130.20 2kk6 s LEU 53 Ca -0.13 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2kk6 s LEU 53 Cb -0.16 -3.22 0.03 0.00 0.50 0.00 0.00 46.19 43.34 2kk6 s LEU 53 CO 0.03 0.18 -0.00 -0.55 -1.32 0.00 0.00 176.35 174.69 2kk6 s SER 54 N -1.33 1.47 0.04 3.68 0.15 -0.33 -0.37 113.70 117.00 2kk6 s SER 54 Ca 0.35 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.94 2kk6 s SER 54 Cb -0.19 -0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 63.67 2kk6 s SER 54 CO 0.21 -0.18 -0.06 0.54 1.20 0.00 0.00 173.24 174.95 2kk6 s VAL 55 N 1.84 0.41 -0.41 4.45 0.11 -0.30 -0.93 120.40 125.57 2kk6 s VAL 55 Ca 0.03 -1.04 -0.15 0.00 -2.93 0.00 0.00 61.98 57.89 2kk6 s VAL 55 Cb -0.12 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2kk6 s VAL 55 CO -0.05 -0.43 0.29 -0.47 -3.33 0.00 0.00 175.10 171.12 2kk6 s TYR 56 N -1.44 3.24 -0.06 1.54 6.14 0.32 -0.10 117.35 126.98 2kk6 s TYR 56 Ca -0.11 -0.62 -0.05 0.00 0.64 0.00 0.00 57.07 56.92 2kk6 s TYR 56 Cb -0.10 -2.58 0.01 0.00 0.42 0.00 0.00 41.96 39.71 2kk6 s TYR 56 CO -0.00 -0.60 0.15 0.45 0.64 0.00 0.00 175.55 176.20 2kk6 s SER 57 N 1.68 -0.16 -1.54 4.32 0.15 0.18 -0.67 113.70 117.66 2kk6 s SER 57 Ca 0.05 0.30 -0.00 0.00 0.70 0.00 0.00 55.95 57.00 2kk6 s SER 57 Cb -0.19 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2kk6 s SER 57 CO 0.10 -0.06 0.03 -0.67 1.20 0.00 0.00 173.24 173.84 2kk6 n ASP 58 N 2.98 -5.27 -1.00 5.45 2.03 -1.26 -0.78 116.55 118.69 2kk6 n ASP 58 Ca -0.13 0.03 -0.10 0.00 0.52 0.00 0.00 54.79 55.12 2kk6 n ASP 58 Cb 0.59 -4.40 -0.01 0.00 -0.72 0.00 0.00 41.12 36.57 2kk6 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kk6 n GLY 59 N -0.97 0.27 3.02 0.27 0.00 -1.26 -5.04 105.19 101.47 2kk6 n GLY 59 Ca -0.21 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 2kk6 n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kk6 s GLN 60 N -4.05 0.60 -0.59 1.61 -0.21 0.04 -5.10 119.66 111.95 2kk6 s GLN 60 Ca 0.00 -0.38 -0.22 0.00 0.02 0.00 0.00 55.36 54.78 2kk6 s GLN 60 Cb 0.00 -0.55 0.06 0.00 1.00 0.00 0.00 33.01 33.52 2kk6 s GLN 60 CO 0.00 0.14 0.88 1.03 -2.12 0.00 0.00 175.29 175.22 2kk6 s ARG 61 N -0.47 3.18 -0.02 2.91 3.00 -1.26 -0.65 118.95 125.63 2kk6 s ARG 61 Ca 0.01 -0.70 -0.22 0.00 0.00 0.00 0.00 55.73 54.81 2kk6 s ARG 61 Cb -0.04 -4.15 -0.05 0.00 0.00 0.00 0.00 34.95 30.71 2kk6 s ARG 61 CO -0.00 -1.59 0.67 1.03 0.00 0.00 0.00 175.30 175.41 2kk6 s ARG 62 N 3.68 4.40 -0.21 3.54 1.81 0.86 -4.89 118.95 128.14 2kk6 s ARG 62 Ca 0.23 0.85 0.00 0.00 -1.72 0.00 0.00 55.73 55.09 2kk6 s ARG 62 Cb -0.16 -3.39 0.03 0.00 -0.45 0.00 0.00 34.95 30.97 2kk6 s ARG 62 CO 0.13 0.23 -0.14 -1.01 -0.68 0.00 0.00 175.30 173.83 2kk6 s HIS 63 N 0.25 2.95 -0.18 -0.53 3.76 -1.26 -1.15 115.29 119.13 2kk6 s HIS 63 Ca 0.35 -1.70 -0.03 0.00 -0.15 0.00 0.00 55.06 53.53 2kk6 s HIS 63 Cb -0.18 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 2kk6 s HIS 63 CO 0.18 -0.78 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.17 2kk6 s PHE 64 N 1.28 2.94 -0.03 1.40 0.08 0.50 -4.94 117.98 119.21 2kk6 s PHE 64 Ca 0.01 -0.64 -0.21 0.00 0.12 0.00 0.00 56.93 56.22 2kk6 s PHE 64 Cb -0.15 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.26 2kk6 s PHE 64 CO -0.09 -0.28 0.61 0.42 -0.10 0.00 0.00 175.22 175.77 2kk6 s ILE 65 N 0.81 4.96 -0.32 0.64 1.01 -1.26 -0.04 121.20 127.00 2kk6 s ILE 65 Ca -0.02 1.26 -0.24 0.00 0.00 0.00 0.00 60.65 61.66 2kk6 s ILE 65 Cb -0.15 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2kk6 s ILE 65 CO 0.01 0.38 0.80 -0.63 0.00 0.00 0.00 174.94 175.50 2kk6 s ILE 66 N 0.08 4.76 -0.32 2.92 1.01 -0.73 -4.66 121.20 124.26 2kk6 s ILE 66 Ca 0.32 1.15 -0.22 0.00 0.00 0.00 0.00 60.65 61.90 2kk6 s ILE 66 Cb -0.18 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2kk6 s ILE 66 CO 0.17 -0.30 0.73 -1.10 0.00 0.00 0.00 174.94 174.44 2kk6 s GLN 67 N 3.03 3.87 -0.76 2.79 1.11 -0.00 -4.70 119.66 124.99 2kk6 s GLN 67 Ca 0.33 0.40 -0.27 0.00 0.01 0.00 0.00 55.36 55.83 2kk6 s GLN 67 Cb -0.14 -3.75 0.03 0.00 -1.01 0.00 0.00 33.01 28.14 2kk6 s GLN 67 CO 0.14 -0.70 1.30 -0.47 0.01 0.00 0.00 175.29 175.57 2kk6 s TYR 68 N 2.88 2.30 -0.11 0.91 5.04 -1.26 -2.34 117.35 124.76 2kk6 s TYR 68 Ca 0.30 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.84 2kk6 s TYR 68 Cb -0.14 -4.63 0.02 0.00 0.35 0.00 0.00 41.96 37.55 2kk6 s TYR 68 CO 0.14 -2.07 -0.15 0.08 -1.34 0.00 0.00 175.55 172.21 2kk6 s VAL 69 N 5.70 1.49 -1.39 3.14 1.01 -0.11 -4.79 120.40 125.45 2kk6 s VAL 69 Ca 0.36 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2kk6 s VAL 69 Cb -0.07 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2kk6 s VAL 69 CO 0.13 0.44 0.75 0.47 0.00 0.00 0.00 175.10 176.89 2kk6 n ASP 70 N 4.26 -2.10 -0.56 3.32 8.00 -1.26 -0.86 116.55 127.36 2kk6 n ASP 70 Ca -0.19 -0.83 -0.07 0.00 0.71 0.00 0.00 54.79 54.41 2kk6 n ASP 70 Cb 0.51 -3.88 -0.03 0.00 -0.02 0.00 0.00 41.12 37.70 2kk6 n ASP 70 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kk6 n ASN 71 N -2.98 -5.29 -4.22 -2.24 3.02 -1.26 -4.97 115.26 97.30 2kk6 n ASN 71 Ca -0.20 0.18 -0.31 0.00 -0.03 0.00 0.00 54.58 54.22 2kk6 n ASN 71 Cb 0.63 -3.44 -0.17 0.00 -0.61 0.00 0.00 39.78 36.20 2kk6 n ASN 71 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kk6 s MET 72 N -2.41 2.75 -0.24 3.52 -1.94 -0.04 -4.25 119.30 116.70 2kk6 s MET 72 Ca 0.00 -0.86 -0.26 0.00 -1.71 0.00 0.00 55.69 52.87 2kk6 s MET 72 Cb 0.00 -2.17 0.00 0.00 2.01 0.00 0.00 34.83 34.67 2kk6 s MET 72 CO 0.00 0.25 0.90 0.71 -0.01 0.00 0.00 175.02 176.86 2kk6 s TYR 73 N 0.16 3.31 0.01 -0.03 2.02 0.12 -0.93 117.35 122.02 2kk6 s TYR 73 Ca -0.13 1.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.83 2kk6 s TYR 73 Cb -0.16 -3.13 -0.01 0.00 -0.40 0.00 0.00 41.96 38.26 2kk6 s TYR 73 CO 0.07 -0.44 -0.08 -0.98 -1.57 0.00 0.00 175.55 172.55 2kk6 s ARG 74 N 2.97 0.57 0.07 -0.62 1.70 -0.99 -1.55 118.95 121.10 2kk6 s ARG 74 Ca 0.38 -0.43 0.15 0.00 -0.47 0.00 0.00 55.73 55.36 2kk6 s ARG 74 Cb -0.15 -0.50 -0.13 0.00 -0.57 0.00 0.00 34.95 33.60 2kk6 s ARG 74 CO 0.07 0.13 0.90 0.74 -1.08 0.00 0.00 175.30 176.05 2kk6 h PHE 75 N 5.47 0.00 0.00 5.89 0.04 -1.83 0.03 116.94 126.54 2kk6 h PHE 75 Ca -0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.45 2kk6 h PHE 75 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 2kk6 h PHE 75 CO 0.48 0.67 0.00 -1.91 -0.60 0.00 0.00 178.31 176.95 2kk6 n GLU 76 N -2.98 0.00 0.00 1.51 2.13 -1.26 -4.86 120.64 115.18 2kk6 n GLU 76 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2kk6 n GLU 76 Cb 0.87 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.58 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kk6 n GLY 77 N -0.94 -0.24 3.77 8.31 0.00 -1.26 -5.03 105.19 109.80 2kk6 n GLY 77 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2kk6 n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kk6 s THR 78 N -0.12 2.77 0.17 2.61 -1.32 -1.26 -4.95 115.64 113.53 2kk6 s THR 78 Ca 0.00 0.61 -0.22 0.00 -1.21 0.00 0.00 61.69 60.87 2kk6 s THR 78 Cb 0.00 -3.32 0.06 0.00 -1.51 0.00 0.00 72.50 67.73 2kk6 s THR 78 CO 0.00 0.02 0.59 -0.83 -2.21 0.00 0.00 174.62 172.19 2kk6 s GLY 79 N -1.10 -0.54 0.15 6.08 0.00 -1.26 -4.17 107.32 106.48 2kk6 s GLY 79 Ca 0.63 0.36 0.08 0.00 0.00 0.00 0.00 44.72 45.80 2kk6 s GLY 79 CO 0.41 0.09 -0.19 -1.36 0.00 0.00 0.00 173.10 172.05 2kk6 s PHE 80 N -3.77 1.80 0.43 1.90 0.40 -0.60 -4.81 117.98 113.33 2kk6 s PHE 80 Ca 0.02 -0.46 0.24 0.00 -0.60 0.00 0.00 56.93 56.13 2kk6 s PHE 80 Cb -0.01 -0.92 1.35 0.00 0.51 0.00 0.00 43.02 43.95 2kk6 s PHE 80 CO -0.11 0.29 2.06 1.03 0.70 0.00 0.00 175.22 179.19 2kk6 h SER 81 N 3.47 0.00 -3.41 1.36 0.87 -1.88 0.35 113.55 114.31 2kk6 h SER 81 Ca -0.43 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.46 2kk6 h SER 81 Cb 1.20 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.88 2kk6 h SER 81 CO 0.48 0.13 -0.79 0.20 -0.53 0.00 0.00 176.83 176.32 2kk6 s ASN 82 N -6.37 3.80 0.14 6.23 0.01 -1.26 -4.68 114.94 112.81 2kk6 s ASN 82 Ca -0.03 -0.37 -0.19 0.00 -0.71 0.00 0.00 52.86 51.56 2kk6 s ASN 82 Cb 0.14 -1.48 0.00 0.00 0.41 0.00 0.00 41.25 40.32 2kk6 s ASN 82 CO 0.61 0.18 1.71 0.40 -1.51 0.00 0.00 177.10 178.50 2kk6 h ILE 83 N 5.36 0.81 -0.80 0.60 2.04 -1.95 -0.58 117.51 122.99 2kk6 h ILE 83 Ca -0.26 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.65 2kk6 h ILE 83 Cb 1.21 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 2kk6 h ILE 83 CO 0.53 0.01 0.52 1.55 0.00 0.00 0.00 178.15 180.76 2kk6 h PRO 84 N 0.06 0.79 -0.05 2.37 0.13 -1.97 -2.19 132.00 131.14 2kk6 h PRO 84 Ca 0.12 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 65.01 2kk6 h PRO 84 Cb 0.16 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 2kk6 h PRO 84 CO -0.21 0.52 -0.77 1.96 -0.23 0.00 0.00 178.00 179.28 2kk6 h GLN 85 N 0.82 0.34 0.47 0.86 1.08 -1.85 0.64 115.11 117.47 2kk6 h GLN 85 Ca 0.35 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2kk6 h GLN 85 Cb 0.32 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2kk6 h GLN 85 CO -0.13 0.95 -0.31 1.25 -0.95 0.00 0.00 178.83 179.65 2kk6 h LEU 86 N 0.22 -0.78 0.08 1.46 5.85 -0.59 0.65 115.31 122.22 2kk6 h LEU 86 Ca -0.04 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2kk6 h LEU 86 Cb 1.35 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2kk6 h LEU 86 CO 0.13 -0.47 -0.04 0.40 -0.34 0.00 0.00 178.44 178.11 2kk6 h ILE 87 N -0.74 0.98 -0.06 4.05 1.08 -1.44 -2.74 117.51 118.63 2kk6 h ILE 87 Ca -0.05 -0.21 0.04 0.00 -0.39 0.00 0.00 64.86 64.25 2kk6 h ILE 87 Cb 0.62 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 2kk6 h ILE 87 CO 0.04 0.05 -0.25 -0.78 -0.69 0.00 0.00 178.15 176.52 2kk6 h ASP 88 N -0.21 -0.75 0.15 1.72 3.58 -0.85 0.61 116.42 120.68 2kk6 h ASP 88 Ca -0.01 0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 2kk6 h ASP 88 Cb 0.17 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2kk6 h ASP 88 CO 0.02 -0.31 -0.21 -0.74 -2.88 0.00 0.00 179.24 175.12 2kk6 h HIS 89 N -0.35 0.14 0.02 0.28 2.76 -0.88 0.89 115.15 118.01 2kk6 h HIS 89 Ca 0.08 -0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 58.01 2kk6 h HIS 89 Cb 0.47 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 2kk6 h HIS 89 CO -0.31 0.34 -0.96 0.45 -1.30 0.00 0.00 177.93 176.15 2kk6 h HIS 90 N 0.12 0.38 -0.43 5.26 3.86 -1.19 -2.53 115.15 120.62 2kk6 h HIS 90 Ca 0.02 -0.22 -0.08 0.00 -1.16 0.00 0.00 60.37 58.93 2kk6 h HIS 90 Cb 0.45 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2kk6 h HIS 90 CO 0.00 1.07 -0.03 -0.92 0.86 0.00 0.00 177.93 178.91 2kk6 h TYR 91 N 0.13 0.86 0.35 2.45 5.03 0.07 0.18 116.97 126.04 2kk6 h TYR 91 Ca -0.06 -0.16 -0.02 0.00 2.58 0.00 0.00 58.73 61.07 2kk6 h TYR 91 Cb 1.61 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.67 2kk6 h TYR 91 CO 0.04 0.86 -0.17 1.79 -1.32 0.00 0.00 178.16 179.36 2kk6 h THR 92 N 0.62 0.51 0.00 1.81 1.35 -0.95 -3.22 112.91 113.03 2kk6 h THR 92 Ca 0.12 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.29 2kk6 h THR 92 Cb 0.53 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2kk6 h THR 92 CO 0.03 0.10 -0.03 0.71 -0.25 0.00 0.00 175.52 176.08 2kk6 h THR 93 N -0.92 0.10 -2.55 6.82 1.35 -1.53 -3.46 112.91 112.71 2kk6 h THR 93 Ca -0.05 -0.51 -0.25 0.00 -0.55 0.00 0.00 66.41 65.05 2kk6 h THR 93 Cb 0.53 1.46 0.02 0.00 -1.73 0.00 0.00 68.15 68.43 2kk6 h THR 93 CO 0.08 0.03 -0.36 1.17 -0.25 0.00 0.00 175.52 176.19 2kk6 n LYS 94 N -3.16 -2.32 -3.61 4.72 3.00 0.58 -5.01 118.16 112.35 2kk6 n LYS 94 Ca -0.00 0.59 -0.34 0.00 -0.00 0.00 0.00 58.31 58.56 2kk6 n LYS 94 Cb 0.28 -4.76 -0.05 0.00 0.00 0.00 0.00 35.03 30.50 2kk6 n LYS 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2kk6 s GLN 95 N -5.03 3.71 1.20 1.64 -0.44 -0.81 -4.92 119.66 115.01 2kk6 s GLN 95 Ca 0.12 0.09 -0.14 0.00 -2.50 0.00 0.00 55.36 52.94 2kk6 s GLN 95 Cb -0.05 -2.96 0.30 0.00 -1.64 0.00 0.00 33.01 28.65 2kk6 s GLN 95 CO 0.15 0.54 1.02 0.14 0.50 0.00 0.00 175.29 177.63 2kk6 s VAL 96 N -1.46 1.93 -0.06 1.34 -7.23 -1.26 -4.60 120.40 109.05 2kk6 s VAL 96 Ca 0.35 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.47 2kk6 s VAL 96 Cb -0.13 -2.09 -0.02 0.00 0.56 0.00 0.00 36.38 34.70 2kk6 s VAL 96 CO 0.19 0.00 -0.10 -0.38 -0.31 0.00 0.00 175.10 174.50 2kk6 n ILE 97 N -4.99 0.55 -4.51 -0.62 2.08 0.28 -4.96 119.36 107.19 2kk6 n ILE 97 Ca 0.04 0.38 -0.22 0.00 0.56 0.00 0.00 62.75 63.50 2kk6 n ILE 97 Cb 0.55 -1.83 -0.14 0.00 -0.75 0.00 0.00 39.64 37.48 2kk6 n ILE 97 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2kk6 s THR 98 N -1.59 1.31 -0.26 1.39 -4.23 -1.26 -4.49 115.64 106.50 2kk6 s THR 98 Ca -0.08 -1.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.70 2kk6 s THR 98 Cb 0.01 -1.15 0.31 0.00 1.34 0.00 0.00 72.50 73.01 2kk6 s THR 98 CO 0.12 0.13 1.82 0.11 -0.54 0.00 0.00 174.62 176.26 2kk6 h LYS 99 N 5.05 0.00 0.00 3.99 6.56 -1.98 0.31 116.57 130.51 2kk6 h LYS 99 Ca -0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 2kk6 h LYS 99 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2kk6 h LYS 99 CO 0.45 0.00 0.00 0.87 -2.06 0.00 0.00 179.45 178.71 2kk6 h LYS 100 N 0.00 0.00 0.00 3.15 1.79 -2.02 -3.37 116.57 116.12 2kk6 h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kk6 h LYS 100 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2kk6 h LYS 100 CO 0.00 0.00 -0.92 0.43 -1.08 0.00 0.00 179.45 177.88 2kk6 n SER 101 N -2.78 1.52 0.00 0.86 7.64 -0.99 -5.06 113.62 114.80 2kk6 n SER 101 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2kk6 n SER 101 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2kk6 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kk6 n GLY 102 N 3.07 0.48 3.83 0.23 0.00 0.11 -5.05 105.19 107.86 2kk6 n GLY 102 Ca 0.00 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 2kk6 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk6 s VAL 103 N -2.00 4.76 0.20 1.61 1.01 -1.26 -4.88 120.40 119.84 2kk6 s VAL 103 Ca 0.00 1.01 0.11 0.00 0.00 0.00 0.00 61.98 63.10 2kk6 s VAL 103 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2kk6 s VAL 103 CO 0.00 0.29 -0.22 -0.69 0.00 0.00 0.00 175.10 174.47 2kk6 s VAL 104 N -1.42 2.46 -0.30 2.92 1.01 -1.26 -0.55 120.40 123.25 2kk6 s VAL 104 Ca 0.38 -2.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.20 2kk6 s VAL 104 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2kk6 s VAL 104 CO 0.20 -0.13 0.36 -0.76 0.00 0.00 0.00 175.10 174.77 2kk6 s LEU 105 N -2.73 4.18 0.03 3.92 1.43 -1.26 -4.88 118.68 119.37 2kk6 s LEU 105 Ca 0.22 0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 2kk6 s LEU 105 Cb -0.08 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 2kk6 s LEU 105 CO 0.11 -0.24 0.07 -1.48 0.23 0.00 0.00 176.35 175.04 2kk6 s LEU 106 N 2.05 1.89 -0.07 1.79 2.34 -1.25 -4.50 118.68 120.94 2kk6 s LEU 106 Ca 0.14 -0.55 -0.06 0.00 0.06 0.00 0.00 54.13 53.72 2kk6 s LEU 106 Cb -0.16 0.52 0.01 0.00 -0.56 0.00 0.00 46.19 45.99 2kk6 s LEU 106 CO 0.11 -0.48 0.10 -0.46 -1.06 0.00 0.00 176.35 174.55 2kk6 n ASN 107 N 0.85 -6.45 -4.79 1.48 6.94 -1.26 -3.86 115.26 108.17 2kk6 n ASN 107 Ca -0.19 0.35 -0.36 0.00 -0.02 0.00 0.00 54.58 54.35 2kk6 n ASN 107 Cb 0.58 -1.68 -0.05 0.00 -2.36 0.00 0.00 39.78 36.27 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2kk6 s PRO 108 N -1.22 4.33 -0.20 -0.53 0.04 -1.26 -4.01 135.00 132.14 2kk6 s PRO 108 Ca 0.06 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.25 2kk6 s PRO 108 Cb -0.01 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 2kk6 s PRO 108 CO 0.15 0.03 0.78 0.42 0.04 0.00 0.00 177.00 178.42 2kk6 s ILE 109 N -1.72 4.90 0.86 0.56 -1.09 -1.08 -4.92 121.20 118.71 2kk6 s ILE 109 Ca 0.56 1.50 -0.13 0.00 -2.23 0.00 0.00 60.65 60.35 2kk6 s ILE 109 Cb -0.19 -4.08 0.13 0.00 -1.58 0.00 0.00 42.46 36.73 2kk6 s ILE 109 CO 0.24 0.01 1.22 -2.16 -1.23 0.00 0.00 174.94 173.02 2kk6 s PRO 110 N 2.36 1.45 -0.08 2.79 0.04 -1.25 -3.85 135.00 136.46 2kk6 s PRO 110 Ca 0.35 -0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.20 2kk6 s PRO 110 Cb -0.16 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.49 2kk6 s PRO 110 CO 0.10 -1.89 0.16 -1.59 0.04 0.00 0.00 177.00 173.82 2kk6 s LYS 111 N -5.66 0.07 0.00 4.56 0.00 -1.09 -4.92 119.74 112.69 2kk6 s LYS 111 Ca 0.67 0.47 0.00 0.00 0.00 0.00 0.00 55.97 57.11 2kk6 s LYS 111 Cb -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 37.83 37.53 2kk6 s LYS 111 CO 0.50 -0.23 0.00 -0.40 0.00 0.00 0.00 175.35 175.22 2kk6 n ASP 112 N 4.73 -0.13 0.05 0.03 5.75 -1.26 -4.88 116.55 120.85 2kk6 n ASP 112 Ca -0.16 -0.21 0.10 0.00 -0.01 0.00 0.00 54.79 54.51 2kk6 n ASP 112 Cb 0.51 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.53 2kk6 n ASP 112 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kk6 n LYS 113 N -0.34 0.63 -2.63 0.11 4.01 -1.26 -4.76 118.16 113.92 2kk6 n LYS 113 Ca 0.00 0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.39 2kk6 n LYS 113 Cb 0.00 -1.71 -0.02 0.00 -0.51 0.00 0.00 35.03 32.80 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2kk6 s LYS 114 N -3.37 3.79 0.00 1.97 1.02 -1.26 -4.72 119.74 117.16 2kk6 s LYS 114 Ca -0.04 -1.63 0.28 0.00 0.02 0.00 0.00 55.97 54.61 2kk6 s LYS 114 Cb 0.11 -5.37 1.14 0.00 -0.52 0.00 0.00 37.83 33.19 2kk6 s LYS 114 CO 0.84 -2.16 1.80 -2.67 -0.92 0.00 0.00 175.35 172.23 2kk6 n TRP 115 N 8.27 0.00 0.00 3.18 4.27 -1.26 -5.22 117.44 126.68 2kk6 n TRP 115 Ca 0.39 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.00 2kk6 n TRP 115 Cb 0.48 -0.09 0.00 0.00 -1.36 0.00 0.00 31.31 30.35 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -2.29 0.00 0.00 177.69 175.84