#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 0.97 1.61 3.03 0.00 -1.26 -3.20 105.19 106.35 2kk6 n GLY 2 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 2kk6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kk6 n HIS 3 N 0.00 0.31 -1.68 1.61 -0.00 -1.26 -4.94 115.22 109.26 2kk6 n HIS 3 Ca 0.00 -1.22 -0.44 0.00 -0.00 0.00 0.00 57.72 56.05 2kk6 n HIS 3 Cb 0.00 -0.66 -0.02 0.00 -0.00 0.00 0.00 29.99 29.31 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 1.33 2.19 -3.68 4.41 -0.00 -1.19 -5.00 115.22 113.27 2kk6 n HIS 4 Ca 0.09 0.46 -0.20 0.00 -0.00 0.00 0.00 57.72 58.06 2kk6 n HIS 4 Cb 0.54 -2.45 -0.02 0.00 -0.00 0.00 0.00 29.99 28.06 2kk6 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk6 s HIS 5 N -0.28 3.02 -0.02 -1.40 4.02 -1.26 -5.04 115.29 114.32 2kk6 s HIS 5 Ca 0.65 -0.25 0.03 0.00 1.02 0.00 0.00 55.06 56.51 2kk6 s HIS 5 Cb -0.63 -1.86 -0.25 0.00 -1.02 0.00 0.00 32.58 28.82 2kk6 s HIS 5 CO 0.52 0.12 0.75 0.45 1.02 0.00 0.00 174.74 177.61 2kk6 h HIS 6 N 1.10 0.26 -1.65 1.40 -0.00 -2.03 -3.48 115.15 110.76 2kk6 h HIS 6 Ca -0.45 -0.19 0.07 0.00 -0.00 0.00 0.00 60.37 59.80 2kk6 h HIS 6 Cb 1.25 -0.01 -0.26 0.00 -0.00 0.00 0.00 27.41 28.40 2kk6 h HIS 6 CO 0.48 1.28 0.35 -3.38 -0.00 0.00 0.00 177.93 176.67 2kk6 s HIS 7 N -2.61 -0.61 -0.20 2.45 -0.00 -1.26 -5.11 115.29 107.95 2kk6 s HIS 7 Ca -0.09 1.32 0.01 0.00 -0.00 0.00 0.00 55.06 56.31 2kk6 s HIS 7 Cb 0.07 0.38 0.03 0.00 -0.00 0.00 0.00 32.58 33.07 2kk6 s HIS 7 CO 0.83 -0.30 -0.18 -1.58 -0.00 0.00 0.00 174.74 173.51 2kk6 s HIS 8 N 0.88 2.88 -1.81 0.38 2.46 -1.26 -4.66 115.29 114.16 2kk6 s HIS 8 Ca -0.04 -1.80 0.00 0.00 0.47 0.00 0.00 55.06 53.69 2kk6 s HIS 8 Cb -0.04 -1.91 0.00 0.00 -0.13 0.00 0.00 32.58 30.49 2kk6 s HIS 8 CO -0.11 -0.82 0.00 0.45 -2.47 0.00 0.00 174.74 171.78 2kk6 n SER 9 N 4.58 -5.21 -4.03 9.88 2.88 -1.26 -4.98 113.62 115.49 2kk6 n SER 9 Ca -0.19 0.31 -0.31 0.00 -1.33 0.00 0.00 58.87 57.34 2kk6 n SER 9 Cb 0.48 -4.29 -0.15 0.00 -0.75 0.00 0.00 64.21 59.50 2kk6 n SER 9 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2kk6 s HIS 10 N -2.74 2.97 0.27 0.66 0.09 -1.26 -5.12 115.29 110.16 2kk6 s HIS 10 Ca 0.00 -2.13 -0.21 0.00 -0.00 0.00 0.00 55.06 52.72 2kk6 s HIS 10 Cb 0.00 -1.81 -0.09 0.00 -0.00 0.00 0.00 32.58 30.68 2kk6 s HIS 10 CO 0.00 -0.84 0.79 1.41 -0.00 0.00 0.00 174.74 176.10 2kk6 s MET 11 N 1.20 4.30 0.32 1.40 1.75 -1.26 -4.91 119.30 122.10 2kk6 s MET 11 Ca -0.08 0.97 -0.07 0.00 -1.25 0.00 0.00 55.69 55.26 2kk6 s MET 11 Cb -0.20 -2.76 -0.06 0.00 2.84 0.00 0.00 34.83 34.66 2kk6 s MET 11 CO -0.05 0.31 0.62 0.15 -0.65 0.00 0.00 175.02 175.39 2kk6 s LYS 12 N -2.20 3.67 0.87 4.11 -0.14 -1.26 -5.09 119.74 119.70 2kk6 s LYS 12 Ca 0.47 0.14 -0.10 0.00 -1.36 0.00 0.00 55.97 55.12 2kk6 s LYS 12 Cb -0.16 -2.57 0.12 0.00 -1.68 0.00 0.00 37.83 33.54 2kk6 s LYS 12 CO 0.21 0.14 1.12 -1.25 -0.76 0.00 0.00 175.35 174.81 2kk6 s PRO 13 N -3.64 1.40 0.27 -1.68 0.04 -1.26 -4.75 135.00 125.37 2kk6 s PRO 13 Ca 0.46 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 2kk6 s PRO 13 Cb -0.11 -1.78 0.58 0.00 0.04 0.00 0.00 34.50 33.23 2kk6 s PRO 13 CO 0.30 -2.31 1.69 1.25 0.04 0.00 0.00 177.00 177.97 2kk6 h LEU 14 N -1.63 0.17 -1.45 -3.56 5.85 -1.98 0.11 115.31 112.82 2kk6 h LEU 14 Ca -0.44 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.45 2kk6 h LEU 14 Cb 1.26 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 2kk6 h LEU 14 CO 0.45 -0.01 0.39 0.00 -0.34 0.00 0.00 178.44 178.93 2kk6 h ALA 15 N 1.65 1.63 -0.08 1.25 0.00 -1.94 -2.12 119.26 119.65 2kk6 h ALA 15 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2kk6 h ALA 15 Cb 0.85 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kk6 h ALA 15 CO -0.51 0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.45 2kk6 n GLU 16 N -4.46 1.63 -2.37 0.00 -0.58 0.35 -4.87 120.64 110.34 2kk6 n GLU 16 Ca 0.06 -0.92 -0.42 0.00 -0.42 0.00 0.00 57.16 55.46 2kk6 n GLU 16 Cb 0.08 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 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 -1.91 4.37 0.45 3.49 -1.52 -0.80 -4.89 119.66 118.84 2kk6 s GLN 17 Ca 0.36 1.81 0.14 0.00 -1.95 0.00 0.00 55.36 55.72 2kk6 s GLN 17 Cb 0.19 -3.44 1.01 0.00 -0.22 0.00 0.00 33.01 30.56 2kk6 s GLN 17 CO 0.30 -0.38 2.00 0.38 -0.25 0.00 0.00 175.29 177.34 2kk6 h ASP 18 N 7.18 0.00 0.79 5.90 2.03 -1.89 -1.28 116.42 129.14 2kk6 h ASP 18 Ca -0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 2kk6 h ASP 18 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2kk6 h ASP 18 CO 0.85 0.17 -0.12 -2.67 -1.03 0.00 0.00 179.24 176.44 2kk6 n TRP 19 N -4.33 0.00 -3.31 4.15 4.27 -1.26 -1.57 117.44 115.39 2kk6 n TRP 19 Ca -0.02 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.18 2kk6 n TRP 19 Cb 0.24 -0.39 -0.08 0.00 -1.36 0.00 0.00 31.31 29.71 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 -2.91 3.21 -2.50 -2.67 5.04 -0.48 -1.50 117.35 115.53 2kk6 s TYR 20 Ca 0.16 0.20 0.21 0.00 -2.44 0.00 0.00 57.07 55.20 2kk6 s TYR 20 Cb 0.19 -2.78 0.14 0.00 0.35 0.00 0.00 41.96 39.86 2kk6 s TYR 20 CO 0.56 -0.44 1.14 0.72 -1.34 0.00 0.00 175.55 176.19 2kk6 n HIS 21 N 5.56 0.00 -1.42 4.97 8.25 -0.88 -4.76 115.22 126.94 2kk6 n HIS 21 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2kk6 n HIS 21 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 1.18 -1.78 3.50 -1.41 0.00 -1.25 -4.75 105.19 100.69 2kk6 n GLY 22 Ca 0.12 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.64 3.00 0.23 4.61 0.00 -1.26 -1.30 121.76 125.40 2kk6 s ALA 23 Ca 0.00 -2.25 0.11 0.00 0.00 0.00 0.00 51.96 49.83 2kk6 s ALA 23 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 23.12 18.85 2kk6 s ALA 23 CO 0.00 -3.22 -0.22 0.96 0.00 0.00 0.00 175.76 173.28 2kk6 s ILE 24 N 4.15 2.37 0.78 0.00 -4.36 -1.24 -4.90 121.20 118.00 2kk6 s ILE 24 Ca 0.36 -2.20 -0.12 0.00 -0.26 0.00 0.00 60.65 58.43 2kk6 s ILE 24 Cb -0.05 -2.19 0.07 0.00 1.25 0.00 0.00 42.46 41.53 2kk6 s ILE 24 CO -0.03 -0.26 1.14 -2.16 0.24 0.00 0.00 174.94 173.86 2kk6 s PRO 25 N -3.07 1.99 0.16 0.37 0.04 -1.26 -4.71 135.00 128.52 2kk6 s PRO 25 Ca 0.25 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 2kk6 s PRO 25 Cb -0.06 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.67 2kk6 s PRO 25 CO 0.12 -1.89 1.81 -0.09 0.04 0.00 0.00 177.00 176.99 2kk6 h ARG 26 N -0.93 0.64 0.39 4.56 2.43 -1.99 -2.59 114.38 116.89 2kk6 h ARG 26 Ca -0.45 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2kk6 h ARG 26 Cb 1.26 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2kk6 h ARG 26 CO 0.49 0.45 -0.41 0.82 -1.51 0.00 0.00 179.97 179.80 2kk6 h ILE 27 N 0.64 0.17 -0.61 1.20 2.04 -1.99 -1.21 117.51 117.75 2kk6 h ILE 27 Ca 0.17 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.11 2kk6 h ILE 27 Cb -0.04 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 2kk6 h ILE 27 CO -0.04 0.00 0.40 -0.33 0.00 0.00 0.00 178.15 178.19 2kk6 h GLU 28 N -0.83 0.50 -0.55 2.37 4.39 -1.94 0.16 114.58 118.68 2kk6 h GLU 28 Ca -0.03 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 2kk6 h GLU 28 Cb 0.75 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2kk6 h GLU 28 CO -0.08 0.33 -0.05 0.00 -1.16 0.00 0.00 179.01 178.06 2kk6 h ALA 29 N 1.68 0.74 0.00 3.43 0.00 -1.01 -3.05 119.26 121.05 2kk6 h ALA 29 Ca 0.27 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2kk6 h ALA 29 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2kk6 h ALA 29 CO -0.08 0.61 -1.09 -0.56 0.00 0.00 0.00 179.25 178.13 2kk6 h GLN 30 N 0.88 0.00 0.00 0.00 3.07 -0.37 -3.34 115.11 115.35 2kk6 h GLN 30 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.82 2kk6 h GLN 30 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.15 2kk6 h GLN 30 CO 0.04 0.53 -0.32 0.93 0.09 0.00 0.00 178.83 180.10 2kk6 h GLU 31 N 0.00 0.00 0.00 0.06 4.39 -0.71 -2.67 114.58 115.65 2kk6 h GLU 31 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2kk6 h GLU 31 Cb 1.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2kk6 h GLU 31 CO 0.07 0.32 0.00 1.37 -1.16 0.00 0.00 179.01 179.61 2kk6 h LEU 32 N 0.00 0.00 -9.08 1.33 8.10 -1.65 -3.43 115.31 110.58 2kk6 h LEU 32 Ca -0.00 0.00 -0.57 0.00 0.11 0.00 0.00 57.88 57.41 2kk6 h LEU 32 Cb 0.77 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.93 2kk6 h LEU 32 CO 0.04 0.00 0.86 -0.76 -4.11 0.00 0.00 178.44 174.47 2kk6 s LEU 33 N -5.26 4.09 0.00 0.17 1.43 -1.01 -4.87 118.68 113.22 2kk6 s LEU 33 Ca 0.09 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 2kk6 s LEU 33 Cb 0.09 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2kk6 s LEU 33 CO 0.61 -0.77 0.00 2.29 0.23 0.00 0.00 176.35 178.72 2kk6 n LYS 34 N 6.59 2.87 -4.22 1.70 2.85 -1.26 -5.01 118.16 121.69 2kk6 n LYS 34 Ca 0.13 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.22 2kk6 n LYS 34 Cb 0.46 -0.71 -0.13 0.00 -0.65 0.00 0.00 35.03 34.00 2kk6 n LYS 34 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2kk6 s LYS 35 N -1.04 0.72 -0.25 -1.58 -2.85 -1.26 -5.09 119.74 108.39 2kk6 s LYS 35 Ca 0.00 -0.69 -0.34 0.00 -1.00 0.00 0.00 55.97 53.94 2kk6 s LYS 35 Cb 0.00 -0.65 -0.10 0.00 -2.06 0.00 0.00 37.83 35.01 2kk6 s LYS 35 CO 0.00 0.15 2.09 0.94 0.10 0.00 0.00 175.35 178.63 2kk6 n GLN 36 N 1.86 1.57 0.00 1.78 7.27 -1.26 -1.94 117.38 126.65 2kk6 n GLN 36 Ca -0.19 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.37 2kk6 n GLN 36 Cb 0.55 -2.66 0.00 0.00 2.41 0.00 0.00 30.24 30.55 2kk6 n GLN 36 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kk6 n GLY 37 N 5.67 3.87 3.69 1.69 0.00 -0.36 -4.97 105.19 114.78 2kk6 n GLY 37 Ca 0.33 -0.85 -0.54 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 2.58 -3.98 1.61 8.00 -0.82 -3.76 116.55 120.19 2kk6 n ASP 38 Ca 0.00 1.06 -0.09 0.00 0.71 0.00 0.00 54.79 56.47 2kk6 n ASP 38 Cb 0.00 -1.21 -0.11 0.00 -0.02 0.00 0.00 41.12 39.78 2kk6 n ASP 38 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2kk6 s PHE 39 N 3.19 0.25 0.02 1.24 -0.71 -1.26 -0.81 117.98 119.91 2kk6 s PHE 39 Ca 0.95 -0.51 -0.09 0.00 -1.04 0.00 0.00 56.93 56.23 2kk6 s PHE 39 Cb -0.95 -0.18 0.00 0.00 -1.21 0.00 0.00 43.02 40.68 2kk6 s PHE 39 CO 0.59 -0.19 0.19 -0.48 -1.34 0.00 0.00 175.22 173.99 2kk6 s LEU 40 N -1.42 1.38 -0.20 -1.99 2.34 -0.53 -3.50 118.68 114.75 2kk6 s LEU 40 Ca -0.16 -0.29 -0.07 0.00 0.06 0.00 0.00 54.13 53.67 2kk6 s LEU 40 Cb -0.10 0.90 -0.04 0.00 -0.56 0.00 0.00 46.19 46.40 2kk6 s LEU 40 CO -0.01 -0.50 0.07 -0.69 -1.06 0.00 0.00 176.35 174.16 2kk6 s VAL 41 N -2.14 4.67 0.07 1.48 1.01 -0.56 -1.62 120.40 123.31 2kk6 s VAL 41 Ca -0.08 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2kk6 s VAL 41 Cb -0.03 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2kk6 s VAL 41 CO -0.02 0.42 -0.16 0.00 0.00 0.00 0.00 175.10 175.35 2kk6 s ARG 42 N 0.71 0.91 -0.16 2.72 1.70 -0.96 -2.06 118.95 121.81 2kk6 s ARG 42 Ca 0.03 -0.96 -0.19 0.00 -0.47 0.00 0.00 55.73 54.15 2kk6 s ARG 42 Cb -0.13 -0.97 -0.04 0.00 -0.57 0.00 0.00 34.95 33.24 2kk6 s ARG 42 CO 0.02 0.22 0.52 -2.00 -1.08 0.00 0.00 175.30 172.98 2kk6 s GLU 43 N -1.65 4.26 -0.17 3.89 2.12 -0.42 -0.96 118.70 125.77 2kk6 s GLU 43 Ca 0.00 0.45 -0.29 0.00 0.36 0.00 0.00 54.97 55.50 2kk6 s GLU 43 Cb -0.10 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 2kk6 s GLU 43 CO 0.02 -0.03 1.73 0.45 -0.54 0.00 0.00 175.26 176.89 2kk6 s SER 44 N 0.95 6.32 0.32 -1.70 0.15 0.54 -3.73 113.70 116.55 2kk6 s SER 44 Ca 0.25 1.84 0.25 0.00 0.70 0.00 0.00 55.95 59.00 2kk6 s SER 44 Cb -0.15 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.28 2kk6 s SER 44 CO 0.10 -1.27 1.72 -0.74 1.20 0.00 0.00 173.24 174.24 2kk6 h HIS 45 N 11.05 0.00 0.00 3.44 2.76 -1.88 -3.02 115.15 127.50 2kk6 h HIS 45 Ca -0.37 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.60 2kk6 h HIS 45 Cb 1.17 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.10 2kk6 h HIS 45 CO 0.92 0.00 -1.17 0.78 -1.30 0.00 0.00 177.93 177.16 2kk6 h GLY 46 N 4.08 0.00 -7.01 5.26 0.00 -1.96 -3.40 103.07 100.04 2kk6 h GLY 46 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 2kk6 h GLY 46 CO 0.00 0.00 -0.66 1.25 0.00 0.00 0.00 176.54 177.13 2kk6 s LYS 47 N -2.76 2.00 0.05 4.80 2.47 -1.15 -5.11 119.74 120.04 2kk6 s LYS 47 Ca -0.01 -2.88 -0.36 0.00 -1.56 0.00 0.00 55.97 51.17 2kk6 s LYS 47 Cb 0.09 -2.96 -0.15 0.00 -1.46 0.00 0.00 37.83 33.35 2kk6 s LYS 47 CO 0.81 -1.26 1.53 -2.30 0.16 0.00 0.00 175.35 174.28 2kk6 n PRO 48 N 2.48 1.60 0.00 4.03 -0.02 -1.16 -1.71 135.00 140.21 2kk6 n PRO 48 Ca 0.18 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2kk6 n PRO 48 Cb 0.36 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2kk6 n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kk6 n GLY 49 N 3.23 2.31 3.72 -1.23 0.00 -1.26 -5.04 105.19 106.92 2kk6 n GLY 49 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.65 4.30 -0.07 1.61 2.12 -0.70 -4.97 118.70 120.35 2kk6 s GLU 50 Ca 0.00 0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.59 2kk6 s GLU 50 Cb 0.00 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2kk6 s GLU 50 CO 0.00 0.19 0.07 0.71 -0.54 0.00 0.00 175.26 175.69 2kk6 s TYR 51 N 0.57 3.35 -0.08 5.30 1.51 -1.26 -0.34 117.35 126.40 2kk6 s TYR 51 Ca 0.22 0.30 0.03 0.00 -1.01 0.00 0.00 57.07 56.61 2kk6 s TYR 51 Cb -0.14 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 2kk6 s TYR 51 CO 0.07 0.58 -0.16 0.08 -1.11 0.00 0.00 175.55 175.02 2kk6 s VAL 52 N -1.04 1.44 -0.05 0.71 1.01 -0.13 -0.82 120.40 121.52 2kk6 s VAL 52 Ca 0.17 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 2kk6 s VAL 52 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2kk6 s VAL 52 CO 0.07 0.42 0.65 -0.22 0.00 0.00 0.00 175.10 176.02 2kk6 s LEU 53 N 0.62 4.35 -0.19 3.92 2.96 0.79 -2.26 118.68 128.87 2kk6 s LEU 53 Ca -0.15 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 2kk6 s LEU 53 Cb -0.16 -3.00 0.03 0.00 0.50 0.00 0.00 46.19 43.56 2kk6 s LEU 53 CO 0.04 -0.04 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.47 2kk6 s SER 54 N 0.47 3.23 0.05 3.68 0.01 -0.64 -0.69 113.70 119.81 2kk6 s SER 54 Ca 0.34 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.87 2kk6 s SER 54 Cb -0.18 -1.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 2kk6 s SER 54 CO 0.17 -0.10 -0.11 0.54 0.41 0.00 0.00 173.24 174.16 2kk6 s VAL 55 N 1.38 0.81 -0.30 3.43 0.11 -0.29 -1.46 120.40 124.08 2kk6 s VAL 55 Ca 0.01 -1.12 -0.17 0.00 -2.93 0.00 0.00 61.98 57.77 2kk6 s VAL 55 Cb -0.15 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2kk6 s VAL 55 CO -0.10 -0.26 0.49 -0.47 -3.33 0.00 0.00 175.10 171.44 2kk6 s TYR 56 N -1.22 3.22 -0.10 1.54 5.04 0.01 0.46 117.35 126.31 2kk6 s TYR 56 Ca -0.05 0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 54.88 2kk6 s TYR 56 Cb -0.09 -2.78 0.02 0.00 0.35 0.00 0.00 41.96 39.46 2kk6 s TYR 56 CO 0.01 -0.39 0.26 0.45 -1.34 0.00 0.00 175.55 174.54 2kk6 s SER 57 N 1.66 -0.27 -1.70 4.32 0.15 0.23 -1.22 113.70 116.87 2kk6 s SER 57 Ca 0.19 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2kk6 s SER 57 Cb -0.16 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2kk6 s SER 57 CO 0.11 -0.09 0.00 0.47 1.20 0.00 0.00 173.24 174.93 2kk6 n ASP 58 N 2.93 -4.97 0.00 5.45 8.00 -1.26 -0.87 116.55 125.82 2kk6 n ASP 58 Ca -0.13 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2kk6 n ASP 58 Cb 0.58 -3.95 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 2kk6 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kk6 n GLY 59 N -0.96 2.29 3.86 0.44 0.00 -1.26 -5.03 105.19 104.54 2kk6 n GLY 59 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.10 3.09 -0.52 1.61 -0.21 -0.05 -5.08 119.66 118.39 2kk6 s GLN 60 Ca 0.00 -0.87 -0.18 0.00 0.02 0.00 0.00 55.36 54.33 2kk6 s GLN 60 Cb 0.00 -2.71 0.08 0.00 1.00 0.00 0.00 33.01 31.38 2kk6 s GLN 60 CO 0.00 0.45 0.57 1.03 -2.12 0.00 0.00 175.29 175.23 2kk6 s ARG 61 N -3.54 3.06 0.20 2.91 3.00 -1.26 -0.60 118.95 122.71 2kk6 s ARG 61 Ca 0.33 -1.16 -0.30 0.00 0.00 0.00 0.00 55.73 54.60 2kk6 s ARG 61 Cb -0.09 -4.16 -0.08 0.00 0.00 0.00 0.00 34.95 30.62 2kk6 s ARG 61 CO 0.26 -1.25 1.03 1.03 0.00 0.00 0.00 175.30 176.37 2kk6 s ARG 62 N 2.31 4.69 -0.18 3.54 1.81 0.17 -4.88 118.95 126.41 2kk6 s ARG 62 Ca 0.11 1.62 0.01 0.00 -1.72 0.00 0.00 55.73 55.74 2kk6 s ARG 62 Cb -0.22 -3.28 0.03 0.00 -0.45 0.00 0.00 34.95 31.02 2kk6 s ARG 62 CO 0.09 0.24 -0.14 -1.01 -0.68 0.00 0.00 175.30 173.79 2kk6 s HIS 63 N -0.57 2.52 -0.18 -0.53 3.76 -1.26 -1.14 115.29 117.89 2kk6 s HIS 63 Ca 0.46 -1.56 0.01 0.00 -0.15 0.00 0.00 55.06 53.82 2kk6 s HIS 63 Cb -0.28 -1.73 0.01 0.00 1.11 0.00 0.00 32.58 31.70 2kk6 s HIS 63 CO 0.34 -0.75 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.24 2kk6 s PHE 64 N 1.37 2.79 0.22 1.40 0.08 0.13 -4.98 117.98 118.99 2kk6 s PHE 64 Ca 0.02 -1.51 -0.28 0.00 0.12 0.00 0.00 56.93 55.28 2kk6 s PHE 64 Cb -0.15 -1.93 -0.09 0.00 -0.57 0.00 0.00 43.02 40.29 2kk6 s PHE 64 CO -0.10 -0.74 0.88 0.42 -0.10 0.00 0.00 175.22 175.58 2kk6 s ILE 65 N 1.24 4.19 -0.41 0.64 1.01 -1.26 -0.15 121.20 126.45 2kk6 s ILE 65 Ca 0.03 1.93 -0.21 0.00 0.00 0.00 0.00 60.65 62.40 2kk6 s ILE 65 Cb -0.14 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.11 2kk6 s ILE 65 CO -0.10 0.49 0.69 -0.63 0.00 0.00 0.00 174.94 175.38 2kk6 s ILE 66 N -1.19 4.79 -0.05 2.92 1.01 -0.00 -4.55 121.20 124.13 2kk6 s ILE 66 Ca 0.40 0.37 -0.22 0.00 0.00 0.00 0.00 60.65 61.20 2kk6 s ILE 66 Cb -0.25 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 2kk6 s ILE 66 CO 0.29 -0.54 0.63 -1.10 0.00 0.00 0.00 174.94 174.22 2kk6 s GLN 67 N 2.93 4.38 -0.73 2.79 1.11 0.80 -4.47 119.66 126.47 2kk6 s GLN 67 Ca 0.26 0.77 -0.23 0.00 0.01 0.00 0.00 55.36 56.16 2kk6 s GLN 67 Cb -0.14 -3.40 0.07 0.00 -1.01 0.00 0.00 33.01 28.53 2kk6 s GLN 67 CO 0.19 0.20 1.07 -0.47 0.01 0.00 0.00 175.29 176.29 2kk6 s TYR 68 N 0.36 2.64 -0.02 0.91 5.04 -1.26 -1.60 117.35 123.43 2kk6 s TYR 68 Ca 0.33 -0.58 0.04 0.00 -2.44 0.00 0.00 57.07 54.42 2kk6 s TYR 68 Cb -0.18 -4.38 -0.01 0.00 0.35 0.00 0.00 41.96 37.75 2kk6 s TYR 68 CO 0.17 -1.73 -0.12 0.08 -1.34 0.00 0.00 175.55 172.61 2kk6 s VAL 69 N 4.27 1.00 -1.55 3.14 1.01 0.32 -4.78 120.40 123.81 2kk6 s VAL 69 Ca 0.27 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2kk6 s VAL 69 Cb -0.13 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.41 2kk6 s VAL 69 CO 0.07 0.29 0.41 0.47 0.00 0.00 0.00 175.10 176.34 2kk6 n ASP 70 N 2.93 -5.68 -0.92 3.32 8.00 -1.26 -0.68 116.55 122.26 2kk6 n ASP 70 Ca -0.15 -0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.03 2kk6 n ASP 70 Cb 0.55 -4.64 -0.05 0.00 -0.02 0.00 0.00 41.12 36.95 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 -2.33 -4.86 -4.30 -2.24 3.02 -1.26 -4.99 115.26 98.29 2kk6 n ASN 71 Ca -0.14 0.30 -0.21 0.00 -0.03 0.00 0.00 54.58 54.50 2kk6 n ASN 71 Cb 0.63 -3.42 -0.11 0.00 -0.61 0.00 0.00 39.78 36.27 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 -2.90 1.20 -0.22 3.52 -1.94 0.14 -4.67 119.30 114.43 2kk6 s MET 72 Ca 0.00 -1.33 -0.13 0.00 -1.71 0.00 0.00 55.69 52.52 2kk6 s MET 72 Cb 0.00 -1.24 -0.04 0.00 2.01 0.00 0.00 34.83 35.55 2kk6 s MET 72 CO 0.00 0.25 0.27 0.71 -0.01 0.00 0.00 175.02 176.24 2kk6 s TYR 73 N -1.94 3.34 0.21 -0.03 2.02 0.46 -0.52 117.35 120.89 2kk6 s TYR 73 Ca 0.13 0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 57.19 2kk6 s TYR 73 Cb -0.06 -2.38 -0.03 0.00 -0.40 0.00 0.00 41.96 39.09 2kk6 s TYR 73 CO 0.05 0.03 0.23 -0.98 -1.57 0.00 0.00 175.55 173.32 2kk6 s ARG 74 N 1.16 1.27 -0.03 -0.62 1.70 -0.63 -1.62 118.95 120.19 2kk6 s ARG 74 Ca 0.13 -1.49 -0.07 0.00 -0.47 0.00 0.00 55.73 53.83 2kk6 s ARG 74 Cb -0.14 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 2kk6 s ARG 74 CO 0.06 -0.45 -0.14 1.19 -1.08 0.00 0.00 175.30 174.88 2kk6 n PHE 75 N -0.29 0.00 0.00 5.89 3.72 -1.26 -0.14 117.46 125.38 2kk6 n PHE 75 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kk6 n PHE 75 Cb 0.65 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2kk6 n PHE 75 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2kk6 n GLU 76 N -3.81 0.00 0.00 -1.08 4.07 -1.26 -4.77 120.64 113.79 2kk6 n GLU 76 Ca -0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 2kk6 n GLU 76 Cb 0.28 -0.47 0.00 0.00 -0.06 0.00 0.00 31.44 31.19 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kk6 n GLY 77 N 2.70 0.90 3.94 8.31 0.00 -1.26 -5.12 105.19 114.66 2kk6 n GLY 77 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 1.75 2.14 0.00 2.61 -1.32 -1.26 -4.92 115.64 114.64 2kk6 s THR 78 Ca 0.00 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2kk6 s THR 78 Cb 0.00 -2.91 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 2kk6 s THR 78 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2kk6 n GLY 79 N -3.20 2.06 3.40 6.08 0.00 -1.26 -4.34 105.19 107.93 2kk6 n GLY 79 Ca 0.12 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 2kk6 n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kk6 s PHE 80 N -8.64 2.15 0.54 1.61 0.40 -0.64 -4.82 117.98 108.58 2kk6 s PHE 80 Ca 0.00 -0.39 0.29 0.00 -0.60 0.00 0.00 56.93 56.23 2kk6 s PHE 80 Cb 0.00 -1.04 1.70 0.00 0.51 0.00 0.00 43.02 44.19 2kk6 s PHE 80 CO 0.00 0.48 2.20 0.77 0.70 0.00 0.00 175.22 179.37 2kk6 h SER 81 N 3.07 0.00 -4.30 1.36 0.02 -1.87 0.13 113.55 111.96 2kk6 h SER 81 Ca -0.44 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.98 2kk6 h SER 81 Cb 1.22 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.49 2kk6 h SER 81 CO 0.51 0.04 -0.82 0.20 -1.14 0.00 0.00 176.83 175.61 2kk6 s ASN 82 N -6.18 2.06 0.09 3.07 0.01 -1.26 -4.64 114.94 108.10 2kk6 s ASN 82 Ca -0.04 -0.42 -0.21 0.00 -0.71 0.00 0.00 52.86 51.47 2kk6 s ASN 82 Cb 0.15 -0.18 -0.11 0.00 0.41 0.00 0.00 41.25 41.51 2kk6 s ASN 82 CO 0.56 0.14 1.69 0.40 -1.51 0.00 0.00 177.10 178.38 2kk6 h ILE 83 N 4.53 1.08 -0.87 0.60 2.04 -1.94 -0.77 117.51 122.19 2kk6 h ILE 83 Ca -0.39 -0.23 0.12 0.00 1.00 0.00 0.00 64.86 65.35 2kk6 h ILE 83 Cb 1.16 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 2kk6 h ILE 83 CO 0.45 0.08 0.50 1.55 0.00 0.00 0.00 178.15 180.73 2kk6 h PRO 84 N 0.10 0.77 -0.46 2.37 0.13 -1.97 -1.34 132.00 131.60 2kk6 h PRO 84 Ca 0.04 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 2kk6 h PRO 84 Cb 0.07 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.01 2kk6 h PRO 84 CO -0.01 0.51 -0.22 1.96 -0.23 0.00 0.00 178.00 180.01 2kk6 h GLN 85 N 0.79 0.96 0.39 0.86 1.08 -1.92 -0.43 115.11 116.84 2kk6 h GLN 85 Ca 0.44 -0.42 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kk6 h GLN 85 Cb 0.47 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2kk6 h GLN 85 CO -0.28 1.09 -0.39 1.25 -0.95 0.00 0.00 178.83 179.54 2kk6 h LEU 86 N 0.80 -1.06 0.07 1.46 5.85 -0.44 -0.54 115.31 121.45 2kk6 h LEU 86 Ca 0.10 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2kk6 h LEU 86 Cb 0.80 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2kk6 h LEU 86 CO 0.07 -0.54 -0.03 0.40 -0.34 0.00 0.00 178.44 177.99 2kk6 h ILE 87 N -0.80 1.10 -0.37 4.05 1.08 -1.29 -2.86 117.51 118.43 2kk6 h ILE 87 Ca -0.03 -0.62 0.06 0.00 -0.39 0.00 0.00 64.86 63.88 2kk6 h ILE 87 Cb 0.72 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 35.92 2kk6 h ILE 87 CO -0.06 0.15 0.05 -0.78 -0.69 0.00 0.00 178.15 176.82 2kk6 h ASP 88 N -0.37 -0.04 -0.88 1.72 3.58 -1.11 -1.50 116.42 117.82 2kk6 h ASP 88 Ca -0.01 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.55 2kk6 h ASP 88 Cb 0.32 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 2kk6 h ASP 88 CO 0.02 0.01 0.56 -0.74 -2.88 0.00 0.00 179.24 176.21 2kk6 h HIS 89 N 0.16 1.05 -0.61 0.28 2.76 -1.11 0.76 115.15 118.45 2kk6 h HIS 89 Ca 0.18 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.30 2kk6 h HIS 89 Cb 0.22 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2kk6 h HIS 89 CO -0.21 0.59 0.07 0.45 -1.30 0.00 0.00 177.93 177.52 2kk6 h HIS 90 N 1.08 1.09 -0.13 5.26 3.86 -1.19 -1.46 115.15 123.66 2kk6 h HIS 90 Ca 0.36 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 2kk6 h HIS 90 Cb 0.05 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 2kk6 h HIS 90 CO -0.02 0.93 0.01 -0.92 0.86 0.00 0.00 177.93 178.79 2kk6 h TYR 91 N 0.95 0.23 0.12 2.45 5.03 -0.41 0.16 116.97 125.51 2kk6 h TYR 91 Ca 0.18 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 2kk6 h TYR 91 Cb 0.46 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.68 2kk6 h TYR 91 CO 0.03 0.44 -0.06 1.79 -1.32 0.00 0.00 178.16 179.04 2kk6 h THR 92 N -0.04 0.95 0.00 1.81 1.35 -0.85 -2.24 112.91 113.89 2kk6 h THR 92 Ca 0.04 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2kk6 h THR 92 Cb 0.34 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2kk6 h THR 92 CO 0.00 0.07 0.00 0.71 -0.25 0.00 0.00 175.52 176.06 2kk6 h THR 93 N -0.31 0.00 -2.20 6.82 1.35 -1.33 -3.46 112.91 113.78 2kk6 h THR 93 Ca -0.02 -0.27 -0.38 0.00 -0.55 0.00 0.00 66.41 65.19 2kk6 h THR 93 Cb 0.25 1.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.65 2kk6 h THR 93 CO 0.03 0.00 -0.45 1.17 -0.25 0.00 0.00 175.52 176.02 2kk6 n LYS 94 N -2.31 -1.45 -3.45 4.72 3.00 0.46 -4.98 118.16 114.15 2kk6 n LYS 94 Ca 0.02 0.98 -0.36 0.00 -0.00 0.00 0.00 58.31 58.96 2kk6 n LYS 94 Cb 0.25 -5.46 -0.06 0.00 0.00 0.00 0.00 35.03 29.76 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 -4.57 3.91 0.75 1.64 -0.44 -0.55 -4.79 119.66 115.60 2kk6 s GLN 95 Ca 0.00 0.39 -0.14 0.00 -2.50 0.00 0.00 55.36 53.11 2kk6 s GLN 95 Cb 0.00 -3.03 0.05 0.00 -1.64 0.00 0.00 33.01 28.39 2kk6 s GLN 95 CO 0.00 0.56 1.20 0.14 0.50 0.00 0.00 175.29 177.69 2kk6 s VAL 96 N -1.34 2.28 -0.03 1.34 -7.23 -1.26 -4.59 120.40 109.57 2kk6 s VAL 96 Ca 0.33 0.13 -0.08 0.00 -1.81 0.00 0.00 61.98 60.55 2kk6 s VAL 96 Cb -0.15 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2kk6 s VAL 96 CO 0.18 -0.08 0.46 0.40 -0.31 0.00 0.00 175.10 175.75 2kk6 h ILE 97 N -0.48 0.00 -3.17 -0.62 1.08 -1.37 -3.45 117.51 109.50 2kk6 h ILE 97 Ca -0.47 -0.38 -0.67 0.00 -0.39 0.00 0.00 64.86 62.95 2kk6 h ILE 97 Cb 1.29 0.00 -0.34 0.00 -3.07 0.00 0.00 36.82 34.70 2kk6 h ILE 97 CO 0.49 0.00 -0.87 0.42 -0.69 0.00 0.00 178.15 177.50 2kk6 s THR 98 N -2.50 2.07 0.52 -0.27 -4.23 -1.26 -4.67 115.64 105.30 2kk6 s THR 98 Ca -0.04 -0.97 0.24 0.00 -1.18 0.00 0.00 61.69 59.74 2kk6 s THR 98 Cb 0.00 -1.84 0.39 0.00 1.34 0.00 0.00 72.50 72.40 2kk6 s THR 98 CO 0.12 0.55 1.98 0.11 -0.54 0.00 0.00 174.62 176.84 2kk6 h LYS 99 N 7.47 0.06 -0.50 3.99 1.79 -1.96 0.35 116.57 127.78 2kk6 h LYS 99 Ca -0.36 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.05 2kk6 h LYS 99 Cb 1.18 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 2kk6 h LYS 99 CO 0.57 0.04 0.07 -0.22 -1.08 0.00 0.00 179.45 178.83 2kk6 h LYS 100 N 0.06 0.79 0.00 3.15 3.64 -2.01 -3.22 116.57 118.98 2kk6 h LYS 100 Ca 0.27 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2kk6 h LYS 100 Cb 1.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2kk6 h LYS 100 CO -0.02 0.75 -1.65 0.43 -2.27 0.00 0.00 179.45 176.69 2kk6 n SER 101 N -4.25 1.23 -3.16 4.20 7.64 -0.81 -5.04 113.62 113.42 2kk6 n SER 101 Ca 0.03 -0.08 -0.15 0.00 1.01 0.00 0.00 58.87 59.68 2kk6 n SER 101 Cb 0.26 1.67 0.07 0.00 -1.01 0.00 0.00 64.21 65.20 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 1.56 -0.61 3.50 0.23 0.00 0.05 -5.01 105.19 104.91 2kk6 n GLY 102 Ca -0.02 0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.34 4.11 0.16 1.61 1.01 -1.26 -5.01 120.40 117.69 2kk6 s VAL 103 Ca 0.19 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2kk6 s VAL 103 Cb -0.02 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2kk6 s VAL 103 CO 0.67 0.45 0.20 -0.69 0.00 0.00 0.00 175.10 175.73 2kk6 s VAL 104 N 0.66 4.80 -0.40 2.92 1.01 -1.26 -0.83 120.40 127.30 2kk6 s VAL 104 Ca -0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 2kk6 s VAL 104 Cb -0.14 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.78 2kk6 s VAL 104 CO 0.02 -0.12 0.49 -0.76 0.00 0.00 0.00 175.10 174.73 2kk6 s LEU 105 N -3.20 4.63 0.05 3.92 1.43 -1.26 -4.78 118.68 119.47 2kk6 s LEU 105 Ca 0.32 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2kk6 s LEU 105 Cb -0.10 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 2kk6 s LEU 105 CO 0.25 -0.57 0.05 -1.48 0.23 0.00 0.00 176.35 174.83 2kk6 s LEU 106 N 2.32 2.04 -0.42 1.79 2.34 -1.25 -4.75 118.68 120.75 2kk6 s LEU 106 Ca 0.16 -0.72 -0.31 0.00 0.06 0.00 0.00 54.13 53.32 2kk6 s LEU 106 Cb -0.16 0.47 0.05 0.00 -0.56 0.00 0.00 46.19 45.99 2kk6 s LEU 106 CO 0.14 -0.55 0.57 -0.46 -1.06 0.00 0.00 176.35 174.99 2kk6 n ASN 107 N 0.49 -4.64 -4.79 1.48 6.94 -1.26 -3.72 115.26 109.76 2kk6 n ASN 107 Ca -0.17 -0.22 -0.32 0.00 -0.02 0.00 0.00 54.58 53.85 2kk6 n ASN 107 Cb 0.60 -1.37 0.04 0.00 -2.36 0.00 0.00 39.78 36.68 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 -2.35 3.01 -0.40 -0.53 0.04 -1.26 -3.92 135.00 129.58 2kk6 s PRO 108 Ca 0.30 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.36 2kk6 s PRO 108 Cb -0.03 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2kk6 s PRO 108 CO 0.76 -1.06 0.52 0.42 0.04 0.00 0.00 177.00 177.68 2kk6 s ILE 109 N -2.57 4.99 0.87 0.56 -1.09 -1.23 -4.93 121.20 117.80 2kk6 s ILE 109 Ca 0.63 0.03 -0.11 0.00 -2.23 0.00 0.00 60.65 58.97 2kk6 s ILE 109 Cb -0.17 -4.06 0.12 0.00 -1.58 0.00 0.00 42.46 36.77 2kk6 s ILE 109 CO 0.43 -0.40 1.09 -2.84 -1.23 0.00 0.00 174.94 171.99 2kk6 s PRO 110 N 2.43 1.42 0.31 2.79 0.02 -1.25 -4.07 135.00 136.65 2kk6 s PRO 110 Ca 0.17 1.00 0.06 0.00 0.02 0.00 0.00 61.00 62.25 2kk6 s PRO 110 Cb -0.16 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 2kk6 s PRO 110 CO 0.15 -2.18 0.25 -1.59 -0.33 0.00 0.00 177.00 173.31 2kk6 s LYS 111 N -4.87 1.66 0.04 5.54 0.00 -0.61 -4.92 119.74 116.57 2kk6 s LYS 111 Ca 0.63 -1.95 -0.18 0.00 0.00 0.00 0.00 55.97 54.47 2kk6 s LYS 111 Cb -0.19 0.32 0.04 0.00 0.00 0.00 0.00 37.83 38.00 2kk6 s LYS 111 CO 0.57 -0.60 0.42 0.34 0.00 0.00 0.00 175.35 176.07 2kk6 s ASP 112 N -3.34 -0.29 -0.24 0.03 2.15 -1.26 -4.89 116.67 108.84 2kk6 s ASP 112 Ca 0.41 0.03 0.14 0.00 0.43 0.00 0.00 52.55 53.56 2kk6 s ASP 112 Cb 0.03 0.42 0.79 0.00 -0.30 0.00 0.00 42.92 43.86 2kk6 s ASP 112 CO 0.25 -0.65 1.72 2.29 -0.17 0.00 0.00 175.17 178.61 2kk6 n LYS 113 N 0.57 4.62 -4.43 4.34 0.00 -1.26 -4.91 118.16 117.10 2kk6 n LYS 113 Ca -0.19 -3.13 -0.21 0.00 -0.00 0.00 0.00 58.31 54.78 2kk6 n LYS 113 Cb 0.59 -2.22 -0.10 0.00 -0.00 0.00 0.00 35.03 33.30 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2kk6 s LYS 114 N -2.80 1.56 -1.46 -1.58 3.01 -1.26 -5.05 119.74 112.17 2kk6 s LYS 114 Ca 0.53 -1.79 -0.13 0.00 -1.01 0.00 0.00 55.97 53.57 2kk6 s LYS 114 Cb 0.41 -1.19 0.04 0.00 -1.01 0.00 0.00 37.83 36.08 2kk6 s LYS 114 CO 0.15 0.05 2.27 0.91 0.51 0.00 0.00 175.35 179.23 2kk6 n TRP 115 N -0.59 3.38 0.61 3.18 7.02 -1.26 -5.24 117.44 124.54 2kk6 n TRP 115 Ca -0.05 -2.97 0.07 0.00 -1.02 0.00 0.00 57.50 53.53 2kk6 n TRP 115 Cb 0.63 -2.50 0.06 0.00 -2.42 0.00 0.00 31.31 27.09 2kk6 n TRP 115 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78