#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 -0.62 0.22 3.17 0.00 -1.26 -4.91 105.19 101.79 2kk6 n GLY 2 Ca 0.00 0.24 0.15 0.00 0.00 0.00 0.00 46.02 46.40 2kk6 n GLY 2 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kk6 h HIS 3 N 0.00 0.00 -3.95 1.61 6.17 -2.08 -3.43 115.15 113.46 2kk6 h HIS 3 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 60.37 60.78 2kk6 h HIS 3 Cb 0.00 0.00 -0.23 0.00 2.52 0.00 0.00 27.41 29.70 2kk6 h HIS 3 CO 0.00 0.00 -0.74 -1.01 0.71 0.00 0.00 177.93 176.89 2kk6 s HIS 4 N -3.44 0.65 0.44 5.26 4.02 -1.26 -5.03 115.29 115.93 2kk6 s HIS 4 Ca 0.04 -0.38 0.36 0.00 1.02 0.00 0.00 55.06 56.10 2kk6 s HIS 4 Cb 0.09 -0.40 1.83 0.00 -1.02 0.00 0.00 32.58 33.08 2kk6 s HIS 4 CO 0.54 -0.06 2.17 1.25 1.02 0.00 0.00 174.74 179.67 2kk6 h HIS 5 N 4.91 0.00 -2.47 1.40 -0.00 -1.99 1.08 115.15 118.08 2kk6 h HIS 5 Ca -0.34 0.00 -0.60 0.00 -0.00 0.00 0.00 60.37 59.43 2kk6 h HIS 5 Cb 1.20 0.00 0.08 0.00 -0.00 0.00 0.00 27.41 28.69 2kk6 h HIS 5 CO 0.58 0.04 0.58 0.72 -0.00 0.00 0.00 177.93 179.85 2kk6 n HIS 6 N -3.29 2.03 -0.01 5.26 -0.00 -1.26 -3.90 115.22 114.04 2kk6 n HIS 6 Ca -0.02 0.45 -0.01 0.00 -0.00 0.00 0.00 57.72 58.15 2kk6 n HIS 6 Cb 0.18 -2.44 -0.01 0.00 -0.00 0.00 0.00 29.99 27.72 2kk6 n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk6 n HIS 7 N 2.07 0.00 -3.84 4.41 -0.00 -1.26 0.88 115.22 117.48 2kk6 n HIS 7 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.75 2kk6 n HIS 7 Cb 0.30 -0.07 -0.08 0.00 -0.00 0.00 0.00 29.99 30.13 2kk6 n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk6 s HIS 8 N -2.05 0.06 0.13 1.57 0.00 -1.26 -4.88 115.29 108.85 2kk6 s HIS 8 Ca -0.01 -0.31 0.11 0.00 -3.00 0.00 0.00 55.06 51.85 2kk6 s HIS 8 Cb 0.01 -0.02 -0.04 0.00 -4.00 0.00 0.00 32.58 28.53 2kk6 s HIS 8 CO 0.06 -0.46 -0.26 -1.12 -1.00 0.00 0.00 174.74 171.96 2kk6 s SER 9 N -2.26 3.19 0.03 7.38 0.01 -1.26 -5.15 113.70 115.65 2kk6 s SER 9 Ca -0.03 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.47 2kk6 s SER 9 Cb 0.00 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2kk6 s SER 9 CO -0.05 0.15 0.19 -1.00 0.41 0.00 0.00 173.24 172.93 2kk6 s HIS 10 N -1.15 3.50 0.44 2.43 0.09 -1.26 -5.11 115.29 114.24 2kk6 s HIS 10 Ca 0.13 0.28 -0.21 0.00 -0.00 0.00 0.00 55.06 55.26 2kk6 s HIS 10 Cb -0.10 -1.78 -0.10 0.00 -0.00 0.00 0.00 32.58 30.60 2kk6 s HIS 10 CO 0.06 0.61 0.97 0.00 -0.00 0.00 0.00 174.74 176.38 2kk6 s MET 11 N -2.26 4.13 0.30 1.40 0.00 -1.26 -5.05 119.30 116.56 2kk6 s MET 11 Ca 0.31 1.19 -0.27 0.00 0.00 0.00 0.00 55.69 56.93 2kk6 s MET 11 Cb -0.13 -2.18 -0.10 0.00 0.00 0.00 0.00 34.83 32.43 2kk6 s MET 11 CO 0.24 -0.13 0.93 0.15 0.00 0.00 0.00 175.02 176.21 2kk6 s LYS 12 N -3.16 4.64 0.90 3.16 -0.14 -1.26 -5.06 119.74 118.82 2kk6 s LYS 12 Ca 0.63 1.35 -0.11 0.00 -1.36 0.00 0.00 55.97 56.48 2kk6 s LYS 12 Cb -0.11 -2.93 0.14 0.00 -1.68 0.00 0.00 37.83 33.25 2kk6 s LYS 12 CO 0.15 0.35 1.10 -1.25 -0.76 0.00 0.00 175.35 174.94 2kk6 s PRO 13 N -1.82 1.16 0.31 -1.68 0.04 -1.26 -4.84 135.00 126.91 2kk6 s PRO 13 Ca 0.47 1.11 0.05 0.00 0.04 0.00 0.00 61.00 62.67 2kk6 s PRO 13 Cb -0.20 -1.78 0.68 0.00 0.04 0.00 0.00 34.50 33.24 2kk6 s PRO 13 CO 0.26 -2.39 1.82 1.25 0.04 0.00 0.00 177.00 177.97 2kk6 h LEU 14 N -1.67 0.82 -0.99 -3.56 5.85 -1.97 -0.01 115.31 113.78 2kk6 h LEU 14 Ca -0.48 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2kk6 h LEU 14 Cb 1.27 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2kk6 h LEU 14 CO 0.50 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.97 2kk6 n ALA 15 N -2.36 1.35 0.02 1.25 0.00 -1.26 -2.02 120.51 117.50 2kk6 n ALA 15 Ca 0.20 0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.81 2kk6 n ALA 15 Cb 0.47 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.65 2kk6 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kk6 n GLU 16 N -2.20 1.96 -2.82 0.00 1.02 -0.04 -5.00 120.64 113.55 2kk6 n GLU 16 Ca 0.00 -1.54 -0.41 0.00 -0.02 0.00 0.00 57.16 55.19 2kk6 n GLU 16 Cb 0.13 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 2kk6 n GLU 16 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2kk6 s GLN 17 N -0.86 4.44 0.33 3.49 -1.52 -0.85 -4.91 119.66 119.77 2kk6 s GLN 17 Ca 0.12 1.20 0.05 0.00 -1.95 0.00 0.00 55.36 54.78 2kk6 s GLN 17 Cb 0.07 -3.51 0.59 0.00 -0.22 0.00 0.00 33.01 29.95 2kk6 s GLN 17 CO 0.09 -0.16 1.84 -0.44 -0.25 0.00 0.00 175.29 176.38 2kk6 h ASP 18 N 6.99 0.43 0.84 5.90 3.32 -1.89 -1.66 116.42 130.35 2kk6 h ASP 18 Ca -0.36 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2kk6 h ASP 18 Cb 1.18 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2kk6 h ASP 18 CO 0.80 0.56 0.00 -2.67 -1.72 0.00 0.00 179.24 176.21 2kk6 n TRP 19 N -4.24 0.79 -3.11 4.55 4.27 -1.25 -0.50 117.44 117.95 2kk6 n TRP 19 Ca 0.01 0.30 -0.42 0.00 -3.89 0.00 0.00 57.50 53.49 2kk6 n TRP 19 Cb 0.29 -0.98 -0.07 0.00 -1.36 0.00 0.00 31.31 29.20 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 -3.27 3.16 -0.36 -2.67 5.04 -0.62 -0.37 117.35 118.25 2kk6 s TYR 20 Ca 0.05 0.40 0.15 0.00 -2.44 0.00 0.00 57.07 55.23 2kk6 s TYR 20 Cb 0.10 -3.12 0.68 0.00 0.35 0.00 0.00 41.96 39.97 2kk6 s TYR 20 CO 0.42 -0.60 1.60 0.72 -1.34 0.00 0.00 175.55 176.35 2kk6 n HIS 21 N 6.02 1.53 -4.18 4.97 8.25 -0.55 -4.62 115.22 126.64 2kk6 n HIS 21 Ca -0.01 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 2kk6 n HIS 21 Cb 0.49 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 0.27 -0.98 3.45 -1.41 0.00 -1.26 -4.48 105.19 100.78 2kk6 n GLY 22 Ca 0.25 -1.21 -0.44 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.18 3.77 0.11 4.61 0.00 -1.26 -1.00 121.76 126.81 2kk6 s ALA 23 Ca 0.00 -3.13 0.07 0.00 0.00 0.00 0.00 51.96 48.89 2kk6 s ALA 23 Cb 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.02 2kk6 s ALA 23 CO 0.00 -2.83 -0.06 0.96 0.00 0.00 0.00 175.76 173.83 2kk6 s ILE 24 N 1.90 3.57 0.86 0.00 -4.36 -1.24 -4.87 121.20 117.06 2kk6 s ILE 24 Ca 0.37 -1.22 -0.11 0.00 -0.26 0.00 0.00 60.65 59.44 2kk6 s ILE 24 Cb -0.04 -2.69 0.11 0.00 1.25 0.00 0.00 42.46 41.09 2kk6 s ILE 24 CO -0.04 0.08 1.11 -2.16 0.24 0.00 0.00 174.94 174.17 2kk6 s PRO 25 N -2.33 1.52 0.39 0.37 0.04 -1.26 -4.64 135.00 129.09 2kk6 s PRO 25 Ca 0.23 1.22 0.08 0.00 0.04 0.00 0.00 61.00 62.58 2kk6 s PRO 25 Cb -0.11 -1.81 0.84 0.00 0.04 0.00 0.00 34.50 33.46 2kk6 s PRO 25 CO 0.15 -2.18 1.97 -0.09 0.04 0.00 0.00 177.00 176.90 2kk6 h ARG 26 N -1.52 0.61 0.31 4.56 2.43 -1.99 -2.15 114.38 116.64 2kk6 h ARG 26 Ca -0.45 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2kk6 h ARG 26 Cb 1.26 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2kk6 h ARG 26 CO 0.49 0.41 -0.31 0.82 -1.51 0.00 0.00 179.97 179.86 2kk6 h ILE 27 N 0.63 0.35 -0.56 1.20 2.04 -2.00 -2.02 117.51 117.15 2kk6 h ILE 27 Ca 0.29 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.23 2kk6 h ILE 27 Cb 0.32 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2kk6 h ILE 27 CO -0.09 0.00 0.38 -0.33 0.00 0.00 0.00 178.15 178.11 2kk6 h GLU 28 N -0.65 0.43 -0.13 2.37 4.39 -1.77 -1.15 114.58 118.07 2kk6 h GLU 28 Ca -0.02 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 2kk6 h GLU 28 Cb 0.59 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2kk6 h GLU 28 CO -0.06 0.28 -0.36 0.00 -1.16 0.00 0.00 179.01 177.71 2kk6 h ALA 29 N 1.71 1.15 0.04 3.43 0.00 -0.92 -3.15 119.26 121.52 2kk6 h ALA 29 Ca 0.25 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 54.49 2kk6 h ALA 29 Cb 0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2kk6 h ALA 29 CO -0.07 0.56 -1.59 -0.56 0.00 0.00 0.00 179.25 177.59 2kk6 h GLN 30 N 0.23 0.09 -0.71 0.00 3.07 -0.65 -3.39 115.11 113.75 2kk6 h GLN 30 Ca 0.03 -0.16 0.04 0.00 0.09 0.00 0.00 58.65 58.65 2kk6 h GLN 30 Cb 0.75 0.06 -0.05 0.00 0.08 0.00 0.00 27.48 28.32 2kk6 h GLN 30 CO 0.06 0.81 0.44 0.93 0.09 0.00 0.00 178.83 181.16 2kk6 h GLU 31 N 0.03 0.82 0.00 0.06 4.39 -1.20 -2.17 114.58 116.50 2kk6 h GLU 31 Ca -0.25 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2kk6 h GLU 31 Cb 1.98 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 2kk6 h GLU 31 CO 0.11 0.54 0.00 1.47 -1.16 0.00 0.00 179.01 179.97 2kk6 n LEU 32 N -4.68 0.00 -4.55 1.33 -0.00 -1.22 -4.67 117.00 103.21 2kk6 n LEU 32 Ca 0.08 0.40 -0.43 0.00 -0.00 0.00 0.00 56.01 56.06 2kk6 n LEU 32 Cb 0.11 -0.40 -0.06 0.00 -0.00 0.00 0.00 43.42 43.08 2kk6 n LEU 32 CO 0.32 -0.01 0.51 -0.76 -0.00 0.00 0.00 177.39 177.45 2kk6 s LEU 33 N -2.79 4.29 0.00 1.47 1.43 -0.82 -4.85 118.68 117.41 2kk6 s LEU 33 Ca 0.21 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2kk6 s LEU 33 Cb 0.19 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.51 2kk6 s LEU 33 CO 0.49 -0.83 0.00 2.29 0.23 0.00 0.00 176.35 178.53 2kk6 n LYS 34 N 6.51 2.45 -4.19 1.70 2.85 -1.26 -4.99 118.16 121.23 2kk6 n LYS 34 Ca 0.01 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.10 2kk6 n LYS 34 Cb 0.48 -0.74 -0.11 0.00 -0.65 0.00 0.00 35.03 34.01 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 -1.24 0.87 -0.46 -1.58 -2.85 -1.26 -5.08 119.74 108.14 2kk6 s LYS 35 Ca 0.00 -1.08 -0.27 0.00 -1.00 0.00 0.00 55.97 53.62 2kk6 s LYS 35 Cb 0.00 -0.73 -0.07 0.00 -2.06 0.00 0.00 37.83 34.97 2kk6 s LYS 35 CO 0.00 0.14 2.39 0.94 0.10 0.00 0.00 175.35 178.92 2kk6 n GLN 36 N 0.88 1.17 0.00 1.78 7.27 -1.26 -2.09 117.38 125.12 2kk6 n GLN 36 Ca -0.18 0.09 0.00 0.00 0.07 0.00 0.00 57.00 56.98 2kk6 n GLN 36 Cb 0.56 -3.33 0.00 0.00 2.41 0.00 0.00 30.24 29.88 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 6.00 3.06 3.67 1.69 0.00 -0.58 -5.02 105.19 114.01 2kk6 n GLY 37 Ca 0.37 -0.38 -0.52 0.00 0.00 0.00 0.00 46.02 45.49 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 2.65 -3.87 1.61 8.00 -0.89 -4.17 116.55 119.89 2kk6 n ASP 38 Ca 0.00 1.06 -0.11 0.00 0.71 0.00 0.00 54.79 56.45 2kk6 n ASP 38 Cb 0.00 -1.27 -0.09 0.00 -0.02 0.00 0.00 41.12 39.74 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 2.53 0.07 0.07 1.24 -0.71 -1.26 -0.34 117.98 119.57 2kk6 s PHE 39 Ca 0.90 -0.24 -0.18 0.00 -1.04 0.00 0.00 56.93 56.37 2kk6 s PHE 39 Cb -0.87 -0.05 0.04 0.00 -1.21 0.00 0.00 43.02 40.93 2kk6 s PHE 39 CO 0.52 -0.36 0.41 -0.48 -1.34 0.00 0.00 175.22 173.97 2kk6 s LEU 40 N -1.81 0.38 -0.13 -1.99 2.34 -0.10 -3.44 118.68 113.93 2kk6 s LEU 40 Ca -0.09 -0.10 -0.02 0.00 0.06 0.00 0.00 54.13 53.98 2kk6 s LEU 40 Cb -0.04 1.79 -0.03 0.00 -0.56 0.00 0.00 46.19 47.36 2kk6 s LEU 40 CO -0.02 -0.73 -0.05 -0.69 -1.06 0.00 0.00 176.35 173.80 2kk6 s VAL 41 N -2.93 3.76 0.33 1.48 1.01 0.50 -0.52 120.40 124.03 2kk6 s VAL 41 Ca -0.02 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2kk6 s VAL 41 Cb 0.00 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 2kk6 s VAL 41 CO -0.06 0.53 0.01 0.00 0.00 0.00 0.00 175.10 175.58 2kk6 s ARG 42 N 0.04 1.70 -0.14 2.72 1.70 -0.41 -1.49 118.95 123.08 2kk6 s ARG 42 Ca -0.01 -1.93 -0.01 0.00 -0.47 0.00 0.00 55.73 53.32 2kk6 s ARG 42 Cb -0.14 -1.15 -0.01 0.00 -0.57 0.00 0.00 34.95 33.08 2kk6 s ARG 42 CO 0.03 -0.08 -0.12 -2.00 -1.08 0.00 0.00 175.30 172.05 2kk6 s GLU 43 N -3.80 3.38 0.46 3.89 2.12 -0.17 -0.81 118.70 123.78 2kk6 s GLU 43 Ca 0.34 -0.68 -0.23 0.00 0.36 0.00 0.00 54.97 54.77 2kk6 s GLU 43 Cb 0.07 -2.68 -0.07 0.00 0.26 0.00 0.00 34.13 31.71 2kk6 s GLU 43 CO 0.15 0.15 1.15 -1.12 -0.54 0.00 0.00 175.26 175.05 2kk6 s SER 44 N 0.52 6.19 -0.15 -1.70 0.01 -0.31 -3.61 113.70 114.66 2kk6 s SER 44 Ca -0.08 2.27 -0.11 0.00 1.31 0.00 0.00 55.95 59.34 2kk6 s SER 44 Cb -0.16 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 2kk6 s SER 44 CO 0.04 -0.90 -0.08 0.45 0.41 0.00 0.00 173.24 173.16 2kk6 h HIS 45 N 2.02 0.00 0.00 2.43 -0.00 -1.91 -3.37 115.15 114.32 2kk6 h HIS 45 Ca -0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.84 2kk6 h HIS 45 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.65 2kk6 h HIS 45 CO 0.54 0.28 -0.16 0.78 -0.00 0.00 0.00 177.93 179.37 2kk6 h GLY 46 N -1.00 0.00 -7.39 2.45 0.00 -2.01 -3.33 103.07 91.80 2kk6 h GLY 46 Ca -0.06 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.59 2kk6 h GLY 46 CO -0.04 0.00 -0.38 1.25 0.00 0.00 0.00 176.54 177.37 2kk6 s LYS 47 N -4.11 2.63 0.23 4.80 2.47 -1.26 -5.09 119.74 119.40 2kk6 s LYS 47 Ca -0.02 -2.88 -0.31 0.00 -1.56 0.00 0.00 55.97 51.20 2kk6 s LYS 47 Cb 0.13 -3.66 -0.10 0.00 -1.46 0.00 0.00 37.83 32.73 2kk6 s LYS 47 CO 0.61 -1.20 1.51 -1.25 0.16 0.00 0.00 175.35 175.17 2kk6 s PRO 48 N -0.68 4.23 0.00 4.03 0.04 -1.25 -2.45 135.00 138.92 2kk6 s PRO 48 Ca 0.21 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2kk6 s PRO 48 Cb -0.15 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2kk6 s PRO 48 CO -0.07 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2kk6 n GLY 49 N 2.72 1.66 3.50 0.56 0.00 -1.26 -5.01 105.19 107.37 2kk6 n GLY 49 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.30 3.28 -0.06 1.61 2.12 -1.03 -4.98 118.70 119.35 2kk6 s GLU 50 Ca 0.00 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 54.70 2kk6 s GLU 50 Cb 0.00 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 2kk6 s GLU 50 CO 0.00 -1.46 0.67 0.71 -0.54 0.00 0.00 175.26 174.63 2kk6 s TYR 51 N 3.74 3.59 -0.11 5.30 1.51 -1.26 -1.16 117.35 128.96 2kk6 s TYR 51 Ca 0.27 1.22 0.03 0.00 -1.01 0.00 0.00 57.07 57.58 2kk6 s TYR 51 Cb -0.14 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 38.96 2kk6 s TYR 51 CO 0.17 0.14 -0.23 0.08 -1.11 0.00 0.00 175.55 174.60 2kk6 s VAL 52 N 0.61 2.02 -0.13 0.71 1.01 0.01 -1.53 120.40 123.10 2kk6 s VAL 52 Ca 0.35 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 2kk6 s VAL 52 Cb -0.18 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2kk6 s VAL 52 CO 0.17 0.55 0.69 -0.22 0.00 0.00 0.00 175.10 176.30 2kk6 s LEU 53 N 0.50 4.23 -0.17 3.92 2.96 0.99 -1.28 118.68 129.83 2kk6 s LEU 53 Ca -0.15 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.82 2kk6 s LEU 53 Cb -0.17 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.51 2kk6 s LEU 53 CO 0.06 -0.22 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.17 2kk6 s SER 54 N 0.98 2.98 0.02 3.68 0.15 0.33 -0.52 113.70 121.32 2kk6 s SER 54 Ca 0.34 -0.62 0.02 0.00 0.70 0.00 0.00 55.95 56.39 2kk6 s SER 54 Cb -0.17 -1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.83 2kk6 s SER 54 CO 0.14 -0.05 -0.07 0.54 1.20 0.00 0.00 173.24 175.00 2kk6 s VAL 55 N 1.40 0.48 -0.57 4.45 0.11 -0.37 -0.92 120.40 124.98 2kk6 s VAL 55 Ca 0.04 -0.66 -0.20 0.00 -2.93 0.00 0.00 61.98 58.23 2kk6 s VAL 55 Cb -0.14 -0.48 0.07 0.00 -1.53 0.00 0.00 36.38 34.30 2kk6 s VAL 55 CO -0.11 -0.13 0.76 -0.47 -3.33 0.00 0.00 175.10 171.82 2kk6 s TYR 56 N -0.75 2.92 -0.01 1.54 6.14 0.53 0.27 117.35 127.99 2kk6 s TYR 56 Ca -0.04 -0.61 0.03 0.00 0.64 0.00 0.00 57.07 57.09 2kk6 s TYR 56 Cb -0.06 -3.91 -0.01 0.00 0.42 0.00 0.00 41.96 38.40 2kk6 s TYR 56 CO 0.00 -1.28 -0.10 0.45 0.64 0.00 0.00 175.55 175.26 2kk6 s SER 57 N 3.21 1.15 -1.30 4.32 0.15 0.21 -1.52 113.70 119.91 2kk6 s SER 57 Ca 0.17 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2kk6 s SER 57 Cb -0.19 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 2kk6 s SER 57 CO 0.11 0.12 0.00 -0.67 1.20 0.00 0.00 173.24 174.00 2kk6 n ASP 58 N 2.85 -5.60 0.00 5.45 2.03 -1.26 -0.95 116.55 119.07 2kk6 n ASP 58 Ca -0.14 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2kk6 n ASP 58 Cb 0.57 -4.18 0.00 0.00 -0.72 0.00 0.00 41.12 36.78 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 0.02 0.73 3.49 0.27 0.00 -1.26 -5.06 105.19 103.38 2kk6 n GLY 59 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.72 1.74 -0.61 1.61 -0.21 -0.12 -5.10 119.66 116.25 2kk6 s GLN 60 Ca 0.00 -1.73 -0.25 0.00 0.02 0.00 0.00 55.36 53.41 2kk6 s GLN 60 Cb 0.00 -1.81 0.04 0.00 1.00 0.00 0.00 33.01 32.24 2kk6 s GLN 60 CO 0.00 0.34 1.03 1.03 -2.12 0.00 0.00 175.29 175.57 2kk6 s ARG 61 N -3.50 3.29 0.20 2.91 3.00 -1.26 -0.62 118.95 122.97 2kk6 s ARG 61 Ca 0.30 -0.31 -0.26 0.00 0.00 0.00 0.00 55.73 55.46 2kk6 s ARG 61 Cb -0.05 -4.11 -0.08 0.00 0.00 0.00 0.00 34.95 30.71 2kk6 s ARG 61 CO 0.15 -1.69 0.83 1.03 0.00 0.00 0.00 175.30 175.62 2kk6 s ARG 62 N 4.39 4.63 -0.15 3.54 1.81 0.14 -4.90 118.95 128.42 2kk6 s ARG 62 Ca 0.31 1.24 -0.00 0.00 -1.72 0.00 0.00 55.73 55.56 2kk6 s ARG 62 Cb -0.12 -3.21 0.03 0.00 -0.45 0.00 0.00 34.95 31.20 2kk6 s ARG 62 CO 0.17 0.53 -0.09 -1.01 -0.68 0.00 0.00 175.30 174.22 2kk6 s HIS 63 N -1.21 1.89 -0.20 -0.53 3.76 -1.26 -1.24 115.29 116.49 2kk6 s HIS 63 Ca 0.39 -1.10 -0.02 0.00 -0.15 0.00 0.00 55.06 54.17 2kk6 s HIS 63 Cb -0.23 -1.43 0.00 0.00 1.11 0.00 0.00 32.58 32.03 2kk6 s HIS 63 CO 0.27 -0.62 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.38 2kk6 s PHE 64 N 1.58 2.89 0.03 1.40 0.08 0.32 -4.98 117.98 119.30 2kk6 s PHE 64 Ca 0.03 -1.19 -0.22 0.00 0.12 0.00 0.00 56.93 55.67 2kk6 s PHE 64 Cb -0.14 -2.03 -0.06 0.00 -0.57 0.00 0.00 43.02 40.22 2kk6 s PHE 64 CO -0.09 -0.63 0.65 0.42 -0.10 0.00 0.00 175.22 175.46 2kk6 s ILE 65 N 1.38 4.81 -0.42 0.64 1.01 -1.26 -0.01 121.20 127.36 2kk6 s ILE 65 Ca 0.05 1.37 -0.23 0.00 0.00 0.00 0.00 60.65 61.85 2kk6 s ILE 65 Cb -0.14 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.36 2kk6 s ILE 65 CO -0.07 0.43 0.76 -0.63 0.00 0.00 0.00 174.94 175.43 2kk6 s ILE 66 N -0.32 4.71 -0.23 2.92 1.01 -0.58 -4.55 121.20 124.15 2kk6 s ILE 66 Ca 0.33 0.54 -0.22 0.00 0.00 0.00 0.00 60.65 61.30 2kk6 s ILE 66 Cb -0.19 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 2kk6 s ILE 66 CO 0.19 -0.59 0.71 -1.10 0.00 0.00 0.00 174.94 174.15 2kk6 s GLN 67 N 3.14 4.16 -0.76 2.79 1.11 0.63 -4.56 119.66 126.18 2kk6 s GLN 67 Ca 0.29 0.72 -0.21 0.00 0.01 0.00 0.00 55.36 56.17 2kk6 s GLN 67 Cb -0.13 -3.63 0.09 0.00 -1.01 0.00 0.00 33.01 28.33 2kk6 s GLN 67 CO 0.20 -0.41 1.01 -0.47 0.01 0.00 0.00 175.29 175.64 2kk6 s TYR 68 N 2.47 2.84 0.02 0.91 5.04 -1.26 -1.28 117.35 126.09 2kk6 s TYR 68 Ca 0.30 -0.87 0.03 0.00 -2.44 0.00 0.00 57.07 54.09 2kk6 s TYR 68 Cb -0.16 -4.28 -0.01 0.00 0.35 0.00 0.00 41.96 37.86 2kk6 s TYR 68 CO 0.09 -1.58 -0.09 0.08 -1.34 0.00 0.00 175.55 172.71 2kk6 s VAL 69 N 3.53 0.69 -1.85 3.14 1.01 -0.46 -4.74 120.40 121.72 2kk6 s VAL 69 Ca 0.26 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2kk6 s VAL 69 Cb -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.62 2kk6 s VAL 69 CO 0.03 -0.00 0.00 0.47 0.00 0.00 0.00 175.10 175.60 2kk6 n ASP 70 N 2.33 -5.82 -2.28 3.32 9.92 -1.26 -0.99 116.55 121.78 2kk6 n ASP 70 Ca -0.17 0.08 -0.20 0.00 -0.53 0.00 0.00 54.79 53.97 2kk6 n ASP 70 Cb 0.56 -4.89 -0.02 0.00 -0.64 0.00 0.00 41.12 36.13 2kk6 n ASP 70 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2kk6 n ASN 71 N -1.90 -5.64 -4.00 -2.24 3.02 -1.26 -5.00 115.26 98.24 2kk6 n ASN 71 Ca -0.24 0.08 -0.16 0.00 -0.03 0.00 0.00 54.58 54.23 2kk6 n ASN 71 Cb 0.69 -4.75 -0.14 0.00 -0.61 0.00 0.00 39.78 34.97 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 -4.84 0.52 -0.28 3.52 -1.94 -0.16 -4.53 119.30 111.59 2kk6 s MET 72 Ca 0.00 -0.33 -0.26 0.00 -1.71 0.00 0.00 55.69 53.40 2kk6 s MET 72 Cb 0.00 -0.47 0.00 0.00 2.01 0.00 0.00 34.83 36.37 2kk6 s MET 72 CO 0.00 0.12 0.89 0.71 -0.01 0.00 0.00 175.02 176.74 2kk6 s TYR 73 N -0.36 3.25 0.10 -0.03 2.02 0.11 -1.36 117.35 121.09 2kk6 s TYR 73 Ca 0.00 1.09 0.04 0.00 -0.37 0.00 0.00 57.07 57.84 2kk6 s TYR 73 Cb -0.04 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 2kk6 s TYR 73 CO -0.00 -0.54 -0.11 -0.98 -1.57 0.00 0.00 175.55 172.35 2kk6 s ARG 74 N 3.09 0.89 -0.16 -0.62 1.70 -0.40 -1.30 118.95 122.15 2kk6 s ARG 74 Ca 0.37 -1.19 -0.16 0.00 -0.47 0.00 0.00 55.73 54.29 2kk6 s ARG 74 Cb -0.14 -0.62 -0.06 0.00 -0.57 0.00 0.00 34.95 33.55 2kk6 s ARG 74 CO 0.10 0.10 -0.31 1.19 -1.08 0.00 0.00 175.30 175.30 2kk6 n PHE 75 N 0.53 0.00 0.00 5.89 3.72 -1.26 -0.27 117.46 126.07 2kk6 n PHE 75 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2kk6 n PHE 75 Cb 0.58 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 -4.32 0.00 0.00 -1.08 4.07 -1.26 -4.79 120.64 113.26 2kk6 n GLU 76 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 2kk6 n GLU 76 Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 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 3.64 1.15 3.75 8.31 0.00 -1.26 -5.05 105.19 115.72 2kk6 n GLY 77 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 0.69 1.88 0.19 2.61 -1.32 -1.26 -4.87 115.64 113.56 2kk6 s THR 78 Ca 0.00 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.29 2kk6 s THR 78 Cb 0.00 -2.70 0.07 0.00 -1.51 0.00 0.00 72.50 68.35 2kk6 s THR 78 CO 0.00 0.00 0.93 0.61 -2.21 0.00 0.00 174.62 173.95 2kk6 n GLY 79 N -2.08 0.69 3.49 6.08 0.00 -1.26 -4.24 105.19 107.88 2kk6 n GLY 79 Ca 0.10 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.44 2.56 -1.10 1.61 0.40 -0.42 -4.76 117.98 113.83 2kk6 s PHE 80 Ca 0.20 -0.25 0.13 0.00 -0.60 0.00 0.00 56.93 56.42 2kk6 s PHE 80 Cb -0.03 -1.39 0.58 0.00 0.51 0.00 0.00 43.02 42.69 2kk6 s PHE 80 CO 0.06 0.36 1.39 0.43 0.70 0.00 0.00 175.22 178.16 2kk6 n SER 81 N 0.98 0.00 -4.07 1.36 7.64 -1.26 0.10 113.62 118.37 2kk6 n SER 81 Ca -0.16 0.40 -0.26 0.00 1.01 0.00 0.00 58.87 59.87 2kk6 n SER 81 Cb 0.52 -0.45 -0.17 0.00 -1.01 0.00 0.00 64.21 63.11 2kk6 n SER 81 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2kk6 s ASN 82 N -2.90 2.05 0.12 6.43 0.01 -1.26 -4.75 114.94 114.66 2kk6 s ASN 82 Ca 0.08 -0.35 -0.19 0.00 -0.71 0.00 0.00 52.86 51.68 2kk6 s ASN 82 Cb 0.09 -0.91 -0.05 0.00 0.41 0.00 0.00 41.25 40.79 2kk6 s ASN 82 CO 0.23 0.07 1.76 0.40 -1.51 0.00 0.00 177.10 178.05 2kk6 h ILE 83 N 5.84 1.00 -0.61 0.60 2.04 -1.96 -0.79 117.51 123.63 2kk6 h ILE 83 Ca -0.29 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.60 2kk6 h ILE 83 Cb 1.20 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.96 2kk6 h ILE 83 CO 0.47 0.04 0.19 1.55 0.00 0.00 0.00 178.15 180.40 2kk6 h PRO 84 N 0.22 0.33 -0.75 2.37 0.13 -1.96 -2.15 132.00 130.19 2kk6 h PRO 84 Ca 0.08 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.13 2kk6 h PRO 84 Cb 0.01 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.04 2kk6 h PRO 84 CO -0.05 0.22 0.24 1.96 -0.23 0.00 0.00 178.00 180.14 2kk6 h GLN 85 N 0.34 1.17 0.44 0.86 1.08 -1.88 0.12 115.11 117.23 2kk6 h GLN 85 Ca 0.32 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2kk6 h GLN 85 Cb 0.43 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2kk6 h GLN 85 CO -0.35 0.99 -0.39 1.25 -0.95 0.00 0.00 178.83 179.37 2kk6 h LEU 86 N 1.12 -1.05 0.03 1.46 5.85 -0.55 -0.63 115.31 121.55 2kk6 h LEU 86 Ca 0.24 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 2kk6 h LEU 86 Cb 0.30 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2kk6 h LEU 86 CO -0.01 -0.55 -0.02 0.40 -0.34 0.00 0.00 178.44 177.92 2kk6 h ILE 87 N -0.84 1.33 -0.42 4.05 1.08 -1.37 -2.80 117.51 118.54 2kk6 h ILE 87 Ca -0.04 -1.23 0.04 0.00 -0.39 0.00 0.00 64.86 63.24 2kk6 h ILE 87 Cb 0.73 2.14 -0.04 0.00 -3.07 0.00 0.00 36.82 36.58 2kk6 h ILE 87 CO -0.04 0.31 0.18 -0.78 -0.69 0.00 0.00 178.15 177.13 2kk6 h ASP 88 N -0.59 0.23 -0.37 1.72 3.58 -0.82 -0.02 116.42 120.15 2kk6 h ASP 88 Ca -0.00 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 2kk6 h ASP 88 Cb 0.54 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2kk6 h ASP 88 CO 0.01 0.17 -0.03 -0.74 -2.88 0.00 0.00 179.24 175.77 2kk6 h HIS 89 N 0.37 0.81 -0.54 0.28 2.76 -1.20 0.77 115.15 118.41 2kk6 h HIS 89 Ca 0.19 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 2kk6 h HIS 89 Cb 0.14 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 2kk6 h HIS 89 CO -0.13 0.77 0.22 0.45 -1.30 0.00 0.00 177.93 177.94 2kk6 h HIS 90 N 0.70 0.81 -0.10 5.26 3.86 -1.14 -1.21 115.15 123.34 2kk6 h HIS 90 Ca 0.13 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2kk6 h HIS 90 Cb 0.47 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.69 2kk6 h HIS 90 CO 0.02 0.66 0.02 -0.92 0.86 0.00 0.00 177.93 178.57 2kk6 h TYR 91 N 0.73 0.17 -0.29 2.45 3.20 -0.47 0.22 116.97 122.99 2kk6 h TYR 91 Ca 0.18 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2kk6 h TYR 91 Cb 0.18 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2kk6 h TYR 91 CO 0.00 0.36 0.07 1.79 -1.64 0.00 0.00 178.16 178.75 2kk6 h THR 92 N -0.07 1.22 0.00 1.81 1.35 -0.88 -2.64 112.91 113.69 2kk6 h THR 92 Ca 0.03 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2kk6 h THR 92 Cb 0.29 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 2kk6 h THR 92 CO 0.00 0.24 0.00 0.71 -0.25 0.00 0.00 175.52 176.22 2kk6 h THR 93 N 0.30 0.00 -3.92 6.82 1.35 -1.25 -3.47 112.91 112.74 2kk6 h THR 93 Ca 0.09 -0.41 -0.39 0.00 -0.55 0.00 0.00 66.41 65.16 2kk6 h THR 93 Cb 0.29 1.31 0.04 0.00 -1.73 0.00 0.00 68.15 68.07 2kk6 h THR 93 CO 0.00 0.00 -0.56 1.17 -0.25 0.00 0.00 175.52 175.88 2kk6 n LYS 94 N -2.32 -3.98 -2.61 4.72 3.00 0.73 -4.99 118.16 112.71 2kk6 n LYS 94 Ca 0.04 0.88 -0.24 0.00 -0.00 0.00 0.00 58.31 58.99 2kk6 n LYS 94 Cb 0.36 -5.60 0.03 0.00 0.00 0.00 0.00 35.03 29.81 2kk6 n LYS 94 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2kk6 s GLN 95 N -5.49 2.80 0.36 1.64 -1.52 -0.84 -4.87 119.66 111.74 2kk6 s GLN 95 Ca 0.22 -0.34 -0.25 0.00 -1.95 0.00 0.00 55.36 53.05 2kk6 s GLN 95 Cb -0.10 -2.39 -0.10 0.00 -0.22 0.00 0.00 33.01 30.20 2kk6 s GLN 95 CO 0.28 -0.63 0.98 0.14 -0.25 0.00 0.00 175.29 175.81 2kk6 s VAL 96 N -2.84 4.06 0.01 1.09 -7.23 -1.26 -4.31 120.40 109.91 2kk6 s VAL 96 Ca 0.54 1.60 -0.25 0.00 -1.81 0.00 0.00 61.98 62.06 2kk6 s VAL 96 Cb -0.10 -3.84 -0.14 0.00 0.56 0.00 0.00 36.38 32.86 2kk6 s VAL 96 CO 0.41 0.04 1.04 0.40 -0.31 0.00 0.00 175.10 176.69 2kk6 h ILE 97 N 2.38 0.00 -3.53 -0.62 1.08 -1.37 -3.45 117.51 112.00 2kk6 h ILE 97 Ca -0.48 -0.33 -0.42 0.00 -0.39 0.00 0.00 64.86 63.25 2kk6 h ILE 97 Cb 1.20 0.00 -0.33 0.00 -3.07 0.00 0.00 36.82 34.62 2kk6 h ILE 97 CO 0.64 0.00 -0.78 0.42 -0.69 0.00 0.00 178.15 177.74 2kk6 s THR 98 N -4.48 0.64 0.56 -0.27 -4.23 -1.26 -4.70 115.64 101.91 2kk6 s THR 98 Ca -0.13 -0.21 0.25 0.00 -1.18 0.00 0.00 61.69 60.42 2kk6 s THR 98 Cb 0.01 -0.63 0.34 0.00 1.34 0.00 0.00 72.50 73.56 2kk6 s THR 98 CO 0.39 0.24 2.15 0.11 -0.54 0.00 0.00 174.62 176.97 2kk6 h LYS 99 N 6.96 0.00 -0.82 3.99 6.56 -1.97 0.15 116.57 131.44 2kk6 h LYS 99 Ca -0.36 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.34 2kk6 h LYS 99 Cb 1.16 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.74 2kk6 h LYS 99 CO 0.48 0.00 0.45 0.87 -2.06 0.00 0.00 179.45 179.19 2kk6 h LYS 100 N 0.00 0.71 0.00 3.15 1.79 -2.01 -3.32 116.57 116.88 2kk6 h LYS 100 Ca 0.06 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2kk6 h LYS 100 Cb 0.28 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2kk6 h LYS 100 CO -0.00 0.47 -0.70 -1.13 -1.08 0.00 0.00 179.45 177.01 2kk6 n SER 101 N -4.79 1.84 0.00 0.86 3.41 -0.38 -5.04 113.62 109.52 2kk6 n SER 101 Ca 0.14 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2kk6 n SER 101 Cb 0.32 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2kk6 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kk6 n GLY 102 N 1.56 1.23 3.74 5.00 0.00 0.39 -5.06 105.19 112.04 2kk6 n GLY 102 Ca -0.10 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 4.91 0.14 1.61 1.01 -1.26 -4.93 120.40 119.88 2kk6 s VAL 103 Ca 0.00 1.42 0.08 0.00 0.00 0.00 0.00 61.98 63.48 2kk6 s VAL 103 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2kk6 s VAL 103 CO 0.00 0.34 -0.09 -0.69 0.00 0.00 0.00 175.10 174.66 2kk6 s VAL 104 N 0.22 3.34 -0.18 2.92 1.01 -1.26 -0.87 120.40 125.58 2kk6 s VAL 104 Ca 0.35 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 2kk6 s VAL 104 Cb -0.19 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2kk6 s VAL 104 CO 0.19 0.01 0.44 -0.76 0.00 0.00 0.00 175.10 174.98 2kk6 s LEU 105 N -2.52 4.18 0.05 3.92 1.43 -1.26 -4.94 118.68 119.55 2kk6 s LEU 105 Ca 0.23 0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 53.91 2kk6 s LEU 105 Cb -0.10 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2kk6 s LEU 105 CO 0.15 -0.08 0.06 -1.48 0.23 0.00 0.00 176.35 175.23 2kk6 s LEU 106 N 1.21 2.01 0.00 1.79 2.34 -1.26 -4.76 118.68 120.01 2kk6 s LEU 106 Ca 0.22 -0.75 0.00 0.00 0.06 0.00 0.00 54.13 53.66 2kk6 s LEU 106 Cb -0.15 0.52 0.00 0.00 -0.56 0.00 0.00 46.19 46.00 2kk6 s LEU 106 CO 0.09 -0.59 0.00 -0.46 -1.06 0.00 0.00 176.35 174.33 2kk6 n ASN 107 N 0.33 -3.27 -4.79 1.48 2.04 -1.26 -4.39 115.26 105.40 2kk6 n ASN 107 Ca -0.16 0.23 -0.35 0.00 -0.44 0.00 0.00 54.58 53.86 2kk6 n ASN 107 Cb 0.60 -0.77 -0.02 0.00 -2.53 0.00 0.00 39.78 37.06 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 2kk6 s PRO 108 N -0.43 3.70 -0.24 -0.53 0.04 -1.26 -4.35 135.00 131.93 2kk6 s PRO 108 Ca 0.00 1.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 2kk6 s PRO 108 Cb 0.00 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2kk6 s PRO 108 CO 0.00 -0.54 0.47 0.42 0.04 0.00 0.00 177.00 177.40 2kk6 s ILE 109 N -1.84 5.11 0.44 0.56 -1.09 -1.22 -4.97 121.20 118.19 2kk6 s ILE 109 Ca 0.68 0.81 -0.25 0.00 -2.23 0.00 0.00 60.65 59.66 2kk6 s ILE 109 Cb -0.20 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.79 2kk6 s ILE 109 CO 0.24 0.14 1.20 -2.65 -1.23 0.00 0.00 174.94 172.64 2kk6 n PRO 110 N 5.21 1.72 -1.14 2.79 -0.02 -1.26 -3.87 135.00 138.43 2kk6 n PRO 110 Ca -0.06 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 61.75 2kk6 n PRO 110 Cb 0.50 -2.30 0.16 0.00 -0.02 0.00 0.00 33.50 31.83 2kk6 n PRO 110 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2kk6 s LYS 111 N -2.24 0.88 0.03 -0.52 0.00 0.34 -4.93 119.74 113.30 2kk6 s LYS 111 Ca 0.63 0.76 -0.05 0.00 0.00 0.00 0.00 55.97 57.31 2kk6 s LYS 111 Cb -0.51 -1.77 -0.05 0.00 0.00 0.00 0.00 37.83 35.51 2kk6 s LYS 111 CO 0.56 -2.48 0.27 -0.51 0.00 0.00 0.00 175.35 173.19 2kk6 s ASP 112 N -3.35 6.47 -0.06 0.03 1.11 -1.26 -4.97 116.67 114.64 2kk6 s ASP 112 Ca 0.64 0.51 0.14 0.00 0.18 0.00 0.00 52.55 54.02 2kk6 s ASP 112 Cb -0.19 -2.07 0.49 0.00 1.07 0.00 0.00 42.92 42.23 2kk6 s ASP 112 CO 0.58 0.21 1.37 0.29 1.18 0.00 0.00 175.17 178.80 2kk6 n LYS 113 N 0.85 2.70 -1.52 8.23 4.76 -1.26 -4.96 118.16 126.96 2kk6 n LYS 113 Ca -0.09 -1.96 -0.39 0.00 -2.87 0.00 0.00 58.31 53.00 2kk6 n LYS 113 Cb 0.52 -1.61 0.04 0.00 -1.84 0.00 0.00 35.03 32.14 2kk6 n LYS 113 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2kk6 n LYS 114 N 0.81 0.68 -1.53 1.97 4.81 -1.26 -4.81 118.16 118.84 2kk6 n LYS 114 Ca 0.18 0.26 -0.42 0.00 -0.87 0.00 0.00 58.31 57.46 2kk6 n LYS 114 Cb 0.59 -1.83 -0.02 0.00 0.02 0.00 0.00 35.03 33.80 2kk6 n LYS 114 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 2kk6 n TRP 115 N -1.52 2.99 -0.20 5.64 5.03 -1.26 -5.16 117.44 122.97 2kk6 n TRP 115 Ca 0.12 -2.67 0.00 0.00 3.03 0.00 0.00 57.50 57.98 2kk6 n TRP 115 Cb 0.46 -2.32 0.00 0.00 -1.03 0.00 0.00 31.31 28.42 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -0.03 0.00 0.00 177.69 178.10