#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 -3.48 2.59 3.17 0.00 -1.26 -4.81 105.19 101.40 2kk6 n GLY 2 Ca 0.00 0.63 -0.17 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.22 -0.04 -0.18 1.61 -0.00 -1.26 -4.83 115.22 109.30 2kk6 n HIS 3 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 2kk6 n HIS 3 Cb 0.00 -3.18 0.27 0.00 -0.00 0.00 0.00 29.99 27.08 2kk6 n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk6 n HIS 4 N -2.27 1.30 -1.93 1.57 -0.00 -1.26 -4.87 115.22 107.76 2kk6 n HIS 4 Ca -0.17 -0.47 -0.37 0.00 -0.00 0.00 0.00 57.72 56.70 2kk6 n HIS 4 Cb 0.63 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.29 2kk6 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk6 s HIS 5 N -2.02 1.53 0.52 1.57 5.65 -1.26 -4.94 115.29 116.33 2kk6 s HIS 5 Ca 0.38 0.97 -0.19 0.00 0.25 0.00 0.00 55.06 56.47 2kk6 s HIS 5 Cb 0.27 -3.96 -0.07 0.00 -1.18 0.00 0.00 32.58 27.63 2kk6 s HIS 5 CO 0.14 -2.31 1.04 -1.58 -0.65 0.00 0.00 174.74 171.38 2kk6 s HIS 6 N 9.93 3.01 0.09 3.88 5.65 -1.26 -5.08 115.29 131.50 2kk6 s HIS 6 Ca 0.74 1.55 0.01 0.00 0.25 0.00 0.00 55.06 57.62 2kk6 s HIS 6 Cb -0.13 -3.04 0.02 0.00 -1.18 0.00 0.00 32.58 28.24 2kk6 s HIS 6 CO 0.20 -0.90 0.12 0.72 -0.65 0.00 0.00 174.74 174.24 2kk6 n HIS 7 N -1.28 -3.06 -3.69 3.88 -0.00 -1.26 -5.14 115.22 104.67 2kk6 n HIS 7 Ca 0.09 -0.28 -0.15 0.00 -0.00 0.00 0.00 57.72 57.38 2kk6 n HIS 7 Cb 0.53 -0.09 -0.15 0.00 -0.00 0.00 0.00 29.99 30.28 2kk6 n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk6 s HIS 8 N 0.23 -0.22 0.54 4.41 2.46 -1.26 -5.16 115.29 116.29 2kk6 s HIS 8 Ca 0.09 0.64 -0.12 0.00 0.47 0.00 0.00 55.06 56.14 2kk6 s HIS 8 Cb -0.01 -0.16 -0.06 0.00 -0.13 0.00 0.00 32.58 32.22 2kk6 s HIS 8 CO 0.06 -0.25 0.95 -1.54 -2.47 0.00 0.00 174.74 171.49 2kk6 s SER 9 N 1.94 6.40 0.77 9.88 1.04 -1.26 -5.09 113.70 127.39 2kk6 s SER 9 Ca -0.01 1.38 -0.04 0.00 0.48 0.00 0.00 55.95 57.75 2kk6 s SER 9 Cb -0.12 -2.44 0.14 0.00 0.10 0.00 0.00 66.02 63.70 2kk6 s SER 9 CO -0.06 -0.68 1.07 -1.38 0.98 0.00 0.00 173.24 173.16 2kk6 s HIS 10 N -2.84 1.65 -0.13 5.02 0.00 -1.26 -5.07 115.29 112.66 2kk6 s HIS 10 Ca 0.55 -0.11 -0.17 0.00 -3.00 0.00 0.00 55.06 52.33 2kk6 s HIS 10 Cb -0.10 -3.25 -0.04 0.00 -4.00 0.00 0.00 32.58 25.18 2kk6 s HIS 10 CO 0.43 -1.90 0.43 1.41 -1.00 0.00 0.00 174.74 174.10 2kk6 s MET 11 N -5.31 4.31 0.61 -0.38 0.00 -1.26 -5.08 119.30 112.19 2kk6 s MET 11 Ca 0.68 0.36 -0.18 0.00 0.00 0.00 0.00 55.69 56.55 2kk6 s MET 11 Cb -0.05 -3.43 -0.03 0.00 0.00 0.00 0.00 34.83 31.32 2kk6 s MET 11 CO 0.46 0.19 1.17 0.15 0.00 0.00 0.00 175.02 176.99 2kk6 s LYS 12 N 0.55 2.94 0.91 4.11 -0.14 -1.26 -5.05 119.74 121.80 2kk6 s LYS 12 Ca 0.23 1.67 -0.12 0.00 -1.36 0.00 0.00 55.97 56.39 2kk6 s LYS 12 Cb -0.15 -1.94 0.14 0.00 -1.68 0.00 0.00 37.83 34.20 2kk6 s LYS 12 CO 0.09 -1.19 1.10 -1.25 -0.76 0.00 0.00 175.35 173.33 2kk6 s PRO 13 N -3.55 1.15 0.23 -1.68 0.04 -1.26 -4.75 135.00 125.18 2kk6 s PRO 13 Ca 0.74 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.39 2kk6 s PRO 13 Cb -0.26 -1.81 0.38 0.00 0.04 0.00 0.00 34.50 32.85 2kk6 s PRO 13 CO 0.35 -2.28 1.68 1.25 0.04 0.00 0.00 177.00 178.03 2kk6 h LEU 14 N -1.57 -0.09 -0.88 -3.56 5.85 -1.96 -0.29 115.31 112.80 2kk6 h LEU 14 Ca -0.50 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2kk6 h LEU 14 Cb 1.30 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 2kk6 h LEU 14 CO 0.56 -0.06 0.55 0.00 -0.34 0.00 0.00 178.44 179.15 2kk6 h ALA 15 N 1.57 1.11 0.00 1.25 0.00 -1.94 -2.14 119.26 119.12 2kk6 h ALA 15 Ca 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2kk6 h ALA 15 Cb 0.60 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kk6 h ALA 15 CO -0.50 0.55 -0.18 0.93 0.00 0.00 0.00 179.25 180.05 2kk6 h GLU 16 N 1.20 0.00 -6.45 0.00 4.39 -1.45 -3.44 114.58 108.82 2kk6 h GLU 16 Ca 0.32 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.44 2kk6 h GLU 16 Cb -0.09 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2kk6 h GLU 16 CO -0.06 0.18 0.97 1.04 -1.16 0.00 0.00 179.01 179.97 2kk6 n GLN 17 N -3.33 2.36 0.02 2.33 1.13 -0.54 -4.89 117.38 114.46 2kk6 n GLN 17 Ca 0.00 0.86 -0.07 0.00 -1.94 0.00 0.00 57.00 55.85 2kk6 n GLN 17 Cb 0.41 -2.68 0.11 0.00 0.11 0.00 0.00 30.24 28.19 2kk6 n GLN 17 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2kk6 h ASP 18 N 7.50 0.51 0.50 1.08 2.03 -1.86 -2.26 116.42 123.92 2kk6 h ASP 18 Ca -0.46 -0.24 0.00 0.00 -0.73 0.00 0.00 57.03 55.60 2kk6 h ASP 18 Cb 1.25 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2kk6 h ASP 18 CO 0.92 0.90 0.00 -2.67 -1.03 0.00 0.00 179.24 177.36 2kk6 n TRP 19 N -3.99 0.75 -3.18 4.15 4.27 -1.24 -3.02 117.44 115.19 2kk6 n TRP 19 Ca -0.02 0.32 -0.42 0.00 -3.89 0.00 0.00 57.50 53.49 2kk6 n TRP 19 Cb 0.54 -1.02 -0.07 0.00 -1.36 0.00 0.00 31.31 29.40 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 -3.37 3.12 -0.26 -2.67 5.04 -0.85 -1.99 117.35 116.36 2kk6 s TYR 20 Ca 0.02 0.01 0.13 0.00 -2.44 0.00 0.00 57.07 54.79 2kk6 s TYR 20 Cb 0.08 -3.14 0.80 0.00 0.35 0.00 0.00 41.96 40.05 2kk6 s TYR 20 CO 0.33 -0.73 1.77 0.72 -1.34 0.00 0.00 175.55 176.30 2kk6 n HIS 21 N 6.00 2.20 -2.88 4.97 8.25 -1.22 -4.83 115.22 127.71 2kk6 n HIS 21 Ca -0.03 -0.86 -0.10 0.00 -0.26 0.00 0.00 57.72 56.46 2kk6 n HIS 21 Cb 0.48 -0.57 0.05 0.00 1.12 0.00 0.00 29.99 31.08 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 0.40 0.01 2.87 -1.41 0.00 -1.26 -4.41 105.19 101.39 2kk6 n GLY 22 Ca 0.32 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 2kk6 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk6 n ALA 23 N -3.01 -2.86 -2.67 4.61 0.00 -1.26 -4.90 120.51 110.41 2kk6 n ALA 23 Ca -0.13 0.82 -0.20 0.00 0.00 0.00 0.00 53.44 53.93 2kk6 n ALA 23 Cb 0.58 -3.07 -0.01 0.00 0.00 0.00 0.00 19.45 16.96 2kk6 n ALA 23 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2kk6 s ILE 24 N -2.69 4.58 0.80 0.00 -4.36 -1.26 -4.83 121.20 113.44 2kk6 s ILE 24 Ca 0.17 -0.97 -0.11 0.00 -0.26 0.00 0.00 60.65 59.48 2kk6 s ILE 24 Cb -0.05 -3.61 0.07 0.00 1.25 0.00 0.00 42.46 40.13 2kk6 s ILE 24 CO 0.74 -0.24 1.09 -2.16 0.24 0.00 0.00 174.94 174.61 2kk6 s PRO 25 N -4.11 2.02 0.39 0.37 0.04 -1.26 -4.84 135.00 127.61 2kk6 s PRO 25 Ca 0.40 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.58 2kk6 s PRO 25 Cb -0.09 -1.88 0.81 0.00 0.04 0.00 0.00 34.50 33.38 2kk6 s PRO 25 CO 0.30 -1.78 2.01 -0.09 0.04 0.00 0.00 177.00 177.48 2kk6 h ARG 26 N -1.22 0.63 0.56 4.56 2.43 -1.99 -2.07 114.38 117.28 2kk6 h ARG 26 Ca -0.45 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2kk6 h ARG 26 Cb 1.24 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2kk6 h ARG 26 CO 0.52 0.42 -0.51 0.82 -1.51 0.00 0.00 179.97 179.71 2kk6 h ILE 27 N 0.65 0.00 -0.43 1.20 2.04 -2.00 -1.08 117.51 117.89 2kk6 h ILE 27 Ca 0.24 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.08 2kk6 h ILE 27 Cb 0.13 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 2kk6 h ILE 27 CO -0.07 0.00 0.19 -0.33 0.00 0.00 0.00 178.15 177.95 2kk6 h GLU 28 N -1.06 0.60 -0.83 2.37 4.39 -1.92 -0.80 114.58 117.34 2kk6 h GLU 28 Ca -0.07 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 2kk6 h GLU 28 Cb 0.90 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 2kk6 h GLU 28 CO -0.03 0.49 0.44 0.00 -1.16 0.00 0.00 179.01 178.74 2kk6 h ALA 29 N 1.61 1.22 0.06 3.43 0.00 -0.93 -2.54 119.26 122.10 2kk6 h ALA 29 Ca 0.15 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 2kk6 h ALA 29 Cb 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2kk6 h ALA 29 CO -0.02 0.63 -1.67 -0.56 0.00 0.00 0.00 179.25 177.63 2kk6 h GLN 30 N 1.16 0.14 -0.65 0.00 3.07 -0.85 -3.35 115.11 114.63 2kk6 h GLN 30 Ca 0.29 -0.23 -0.06 0.00 0.09 0.00 0.00 58.65 58.74 2kk6 h GLN 30 Cb 0.05 0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.66 2kk6 h GLN 30 CO -0.04 0.88 0.16 0.93 0.09 0.00 0.00 178.83 180.85 2kk6 h GLU 31 N 0.04 1.01 0.00 0.06 4.39 -1.05 -2.11 114.58 116.93 2kk6 h GLU 31 Ca -0.28 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.15 2kk6 h GLU 31 Cb 2.00 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 30.50 2kk6 h GLU 31 CO 0.11 0.90 -0.21 1.37 -1.16 0.00 0.00 179.01 180.02 2kk6 h LEU 32 N 0.97 0.00 -8.52 1.33 8.10 -1.64 -3.40 115.31 112.15 2kk6 h LEU 32 Ca 0.21 0.00 -0.53 0.00 0.11 0.00 0.00 57.88 57.66 2kk6 h LEU 32 Cb 0.33 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.50 2kk6 h LEU 32 CO -0.00 0.21 1.16 -0.76 -4.11 0.00 0.00 178.44 174.94 2kk6 s LEU 33 N -6.87 3.32 0.00 0.17 1.43 -0.79 -4.76 118.68 111.18 2kk6 s LEU 33 Ca -0.00 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2kk6 s LEU 33 Cb 0.11 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2kk6 s LEU 33 CO 0.63 -1.91 0.18 2.29 0.23 0.00 0.00 176.35 177.77 2kk6 n LYS 34 N 8.95 -0.06 -3.79 1.70 2.85 -1.26 -4.98 118.16 121.58 2kk6 n LYS 34 Ca 0.12 -0.19 -0.11 0.00 -1.05 0.00 0.00 58.31 57.09 2kk6 n LYS 34 Cb 0.50 -0.59 -0.07 0.00 -0.65 0.00 0.00 35.03 34.21 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 -0.03 0.79 -0.17 -1.58 -2.85 -1.26 -5.12 119.74 109.53 2kk6 s LYS 35 Ca 0.00 -0.62 -0.35 0.00 -1.00 0.00 0.00 55.97 54.00 2kk6 s LYS 35 Cb 0.00 0.34 -0.12 0.00 -2.06 0.00 0.00 37.83 35.99 2kk6 s LYS 35 CO 0.00 -0.25 1.93 0.94 0.10 0.00 0.00 175.35 178.07 2kk6 n GLN 36 N 0.47 1.85 0.00 1.78 -0.06 -1.26 -2.47 117.38 117.69 2kk6 n GLN 36 Ca -0.18 0.65 0.00 0.00 -2.00 0.00 0.00 57.00 55.47 2kk6 n GLN 36 Cb 0.60 -2.57 0.00 0.00 -4.06 0.00 0.00 30.24 24.21 2kk6 n GLN 36 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kk6 n GLY 37 N 4.77 1.32 3.62 1.69 0.00 -1.00 -4.96 105.19 110.62 2kk6 n GLY 37 Ca 0.26 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.77 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 2.09 -3.75 1.61 8.00 -1.03 -3.91 116.55 119.55 2kk6 n ASP 38 Ca 0.00 1.10 -0.12 0.00 0.71 0.00 0.00 54.79 56.49 2kk6 n ASP 38 Cb 0.00 -1.24 -0.07 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 0.97 -0.11 0.22 1.24 -0.71 -1.26 -0.07 117.98 118.27 2kk6 s PHE 39 Ca 0.85 -0.03 -0.20 0.00 -1.04 0.00 0.00 56.93 56.51 2kk6 s PHE 39 Cb -0.90 0.10 0.04 0.00 -1.21 0.00 0.00 43.02 41.05 2kk6 s PHE 39 CO 0.47 -0.50 0.62 -0.48 -1.34 0.00 0.00 175.22 173.99 2kk6 s LEU 40 N -2.06 -0.24 -0.14 -1.99 2.34 -0.44 -2.67 118.68 113.48 2kk6 s LEU 40 Ca -0.05 -0.41 0.00 0.00 0.06 0.00 0.00 54.13 53.73 2kk6 s LEU 40 Cb -0.01 2.50 -0.01 0.00 -0.56 0.00 0.00 46.19 48.12 2kk6 s LEU 40 CO -0.03 -1.15 -0.14 -0.69 -1.06 0.00 0.00 176.35 173.27 2kk6 s VAL 41 N -3.86 2.82 -0.08 1.48 1.01 -0.84 -0.89 120.40 120.03 2kk6 s VAL 41 Ca 0.08 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2kk6 s VAL 41 Cb -0.03 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2kk6 s VAL 41 CO -0.01 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.43 2kk6 s ARG 42 N 0.63 2.29 0.41 2.72 1.70 -0.21 -3.46 118.95 123.03 2kk6 s ARG 42 Ca -0.08 -0.61 -0.23 0.00 -0.47 0.00 0.00 55.73 54.34 2kk6 s ARG 42 Cb -0.16 -1.82 -0.10 0.00 -0.57 0.00 0.00 34.95 32.31 2kk6 s ARG 42 CO 0.03 0.07 0.98 -2.00 -1.08 0.00 0.00 175.30 173.30 2kk6 s GLU 43 N 0.58 4.23 0.32 3.89 2.12 -1.26 -0.30 118.70 128.28 2kk6 s GLU 43 Ca -0.15 1.29 -0.27 0.00 0.36 0.00 0.00 54.97 56.20 2kk6 s GLU 43 Cb -0.17 -2.38 -0.10 0.00 0.26 0.00 0.00 34.13 31.75 2kk6 s GLU 43 CO 0.05 -0.05 0.98 0.45 -0.54 0.00 0.00 175.26 176.16 2kk6 s SER 44 N -1.89 7.27 -0.05 -1.70 0.15 -0.08 -4.49 113.70 112.91 2kk6 s SER 44 Ca 0.59 1.95 0.12 0.00 0.70 0.00 0.00 55.95 59.31 2kk6 s SER 44 Cb -0.15 -2.59 -0.23 0.00 -1.71 0.00 0.00 66.02 61.33 2kk6 s SER 44 CO 0.20 -0.12 0.64 1.41 1.20 0.00 0.00 173.24 176.57 2kk6 n HIS 45 N 0.68 1.00 0.13 3.44 -0.00 -1.26 -3.45 115.22 115.75 2kk6 n HIS 45 Ca 0.01 0.35 -0.01 0.00 -0.00 0.00 0.00 57.72 58.08 2kk6 n HIS 45 Cb 0.49 -1.18 0.23 0.00 -0.00 0.00 0.00 29.99 29.53 2kk6 n HIS 45 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 2kk6 h GLY 46 N 3.41 0.14 -6.95 -1.41 0.00 -1.99 -3.38 103.07 92.89 2kk6 h GLY 46 Ca -0.29 -0.14 -0.61 0.00 0.00 0.00 0.00 47.33 46.29 2kk6 h GLY 46 CO 0.08 0.13 -0.75 1.25 0.00 0.00 0.00 176.54 177.25 2kk6 s LYS 47 N -4.00 1.27 0.06 4.80 2.20 -1.25 -5.11 119.74 117.71 2kk6 s LYS 47 Ca -0.03 -2.01 -0.30 0.00 -0.36 0.00 0.00 55.97 53.26 2kk6 s LYS 47 Cb 0.13 -2.29 -0.09 0.00 -1.51 0.00 0.00 37.83 34.08 2kk6 s LYS 47 CO 0.76 -1.17 1.77 -1.25 -0.36 0.00 0.00 175.35 175.10 2kk6 s PRO 48 N 0.33 4.17 0.00 4.03 0.04 -1.22 -2.45 135.00 139.89 2kk6 s PRO 48 Ca 0.18 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.67 2kk6 s PRO 48 Cb -0.23 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2kk6 s PRO 48 CO -0.01 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.61 2kk6 n GLY 49 N 4.21 2.14 3.66 0.56 0.00 -1.26 -5.07 105.19 109.42 2kk6 n GLY 49 Ca 0.17 0.00 -0.36 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 -0.38 4.06 -0.10 1.61 2.12 -1.02 -5.03 118.70 119.95 2kk6 s GLU 50 Ca 0.00 -0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.02 2kk6 s GLU 50 Cb 0.00 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 2kk6 s GLU 50 CO 0.00 0.15 0.00 0.71 -0.54 0.00 0.00 175.26 175.58 2kk6 s TYR 51 N 0.78 3.15 -0.14 5.30 1.51 -1.26 -0.90 117.35 125.78 2kk6 s TYR 51 Ca 0.07 0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.25 2kk6 s TYR 51 Cb -0.13 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2kk6 s TYR 51 CO 0.02 0.38 -0.14 0.08 -1.11 0.00 0.00 175.55 174.78 2kk6 s VAL 52 N -0.64 2.89 -0.11 0.71 1.01 0.59 -0.97 120.40 123.88 2kk6 s VAL 52 Ca 0.10 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 2kk6 s VAL 52 Cb -0.12 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2kk6 s VAL 52 CO 0.02 0.52 0.67 -0.22 0.00 0.00 0.00 175.10 176.09 2kk6 s LEU 53 N 0.51 4.27 -0.23 3.92 2.96 0.78 -1.05 118.68 129.84 2kk6 s LEU 53 Ca -0.10 1.08 -0.00 0.00 -0.22 0.00 0.00 54.13 54.89 2kk6 s LEU 53 Cb -0.16 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.55 2kk6 s LEU 53 CO 0.04 -0.16 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.25 2kk6 s SER 54 N 0.89 3.99 0.02 3.68 0.15 -0.07 -0.62 113.70 121.73 2kk6 s SER 54 Ca 0.35 -0.87 0.03 0.00 0.70 0.00 0.00 55.95 56.15 2kk6 s SER 54 Cb -0.17 -1.59 -0.02 0.00 -1.71 0.00 0.00 66.02 62.53 2kk6 s SER 54 CO 0.15 -0.09 -0.10 0.54 1.20 0.00 0.00 173.24 174.94 2kk6 s VAL 55 N 1.28 0.77 -0.36 4.45 0.11 -0.20 -1.33 120.40 125.13 2kk6 s VAL 55 Ca 0.00 -0.78 -0.20 0.00 -2.93 0.00 0.00 61.98 58.08 2kk6 s VAL 55 Cb -0.16 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 2kk6 s VAL 55 CO -0.07 -0.04 0.61 -0.47 -3.33 0.00 0.00 175.10 171.79 2kk6 s TYR 56 N -0.75 3.16 -0.17 1.54 6.14 0.90 -0.33 117.35 127.84 2kk6 s TYR 56 Ca -0.01 0.30 -0.01 0.00 0.64 0.00 0.00 57.07 57.99 2kk6 s TYR 56 Cb -0.07 -3.09 0.04 0.00 0.42 0.00 0.00 41.96 39.27 2kk6 s TYR 56 CO 0.00 -0.61 -0.04 0.45 0.64 0.00 0.00 175.55 176.00 2kk6 s SER 57 N 1.79 2.84 -1.33 4.32 0.15 0.24 -2.38 113.70 119.33 2kk6 s SER 57 Ca 0.23 -0.69 -0.00 0.00 0.70 0.00 0.00 55.95 56.19 2kk6 s SER 57 Cb -0.15 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 2kk6 s SER 57 CO 0.14 -0.20 0.64 -0.67 1.20 0.00 0.00 173.24 174.35 2kk6 n ASP 58 N 4.90 -1.01 0.00 5.45 2.03 -1.26 -1.51 116.55 125.15 2kk6 n ASP 58 Ca -0.11 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.34 2kk6 n ASP 58 Cb 0.47 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 37.03 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 -1.66 1.32 3.24 0.27 0.00 -1.26 -5.01 105.19 102.08 2kk6 n GLY 59 Ca -0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 1.79 -0.58 1.61 -0.21 -0.57 -5.10 119.66 116.50 2kk6 s GLN 60 Ca 0.00 -0.78 -0.24 0.00 0.02 0.00 0.00 55.36 54.35 2kk6 s GLN 60 Cb 0.00 -1.72 0.04 0.00 1.00 0.00 0.00 33.01 32.33 2kk6 s GLN 60 CO 0.00 0.46 0.98 1.03 -2.12 0.00 0.00 175.29 175.65 2kk6 s ARG 61 N -0.49 3.30 0.14 2.91 3.00 -1.26 -0.59 118.95 125.96 2kk6 s ARG 61 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 55.73 55.47 2kk6 s ARG 61 Cb -0.09 -4.09 -0.05 0.00 0.00 0.00 0.00 34.95 30.73 2kk6 s ARG 61 CO -0.01 -1.59 0.33 1.03 0.00 0.00 0.00 175.30 175.07 2kk6 s ARG 62 N 4.14 3.53 -0.07 3.54 0.52 0.55 -4.93 118.95 126.24 2kk6 s ARG 62 Ca 0.30 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 2kk6 s ARG 62 Cb -0.13 -2.90 0.02 0.00 0.52 0.00 0.00 34.95 32.47 2kk6 s ARG 62 CO 0.18 0.48 -0.05 -1.01 0.02 0.00 0.00 175.30 174.92 2kk6 s HIS 63 N -1.69 0.96 -0.17 -0.53 3.76 -1.26 -1.03 115.29 115.33 2kk6 s HIS 63 Ca 0.38 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2kk6 s HIS 63 Cb -0.12 -0.86 0.03 0.00 1.11 0.00 0.00 32.58 32.75 2kk6 s HIS 63 CO 0.27 -0.29 -0.12 -0.06 -0.85 0.00 0.00 174.74 173.69 2kk6 s PHE 64 N 1.26 2.19 0.30 1.40 0.08 0.21 -4.96 117.98 118.46 2kk6 s PHE 64 Ca -0.05 -1.33 -0.25 0.00 0.12 0.00 0.00 56.93 55.41 2kk6 s PHE 64 Cb -0.14 -1.57 -0.10 0.00 -0.57 0.00 0.00 43.02 40.65 2kk6 s PHE 64 CO -0.02 -0.69 0.91 0.42 -0.10 0.00 0.00 175.22 175.74 2kk6 s ILE 65 N 1.47 4.26 -0.20 0.64 1.01 -1.26 -0.15 121.20 126.97 2kk6 s ILE 65 Ca 0.02 1.76 -0.20 0.00 0.00 0.00 0.00 60.65 62.23 2kk6 s ILE 65 Cb -0.14 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2kk6 s ILE 65 CO -0.09 0.18 0.59 -0.63 0.00 0.00 0.00 174.94 174.99 2kk6 s ILE 66 N -1.57 5.05 -0.16 2.92 1.01 -0.14 -4.78 121.20 123.54 2kk6 s ILE 66 Ca 0.48 1.10 -0.17 0.00 0.00 0.00 0.00 60.65 62.06 2kk6 s ILE 66 Cb -0.19 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2kk6 s ILE 66 CO 0.24 0.13 0.46 -1.10 0.00 0.00 0.00 174.94 174.67 2kk6 s GLN 67 N 1.82 4.26 -0.59 2.79 1.11 0.73 -4.55 119.66 125.24 2kk6 s GLN 67 Ca 0.27 0.37 -0.21 0.00 0.01 0.00 0.00 55.36 55.80 2kk6 s GLN 67 Cb -0.16 -3.49 0.08 0.00 -1.01 0.00 0.00 33.01 28.43 2kk6 s GLN 67 CO 0.10 0.04 0.80 -0.47 0.01 0.00 0.00 175.29 175.77 2kk6 s TYR 68 N 1.02 2.88 -0.04 0.91 5.04 -1.26 -0.95 117.35 124.94 2kk6 s TYR 68 Ca 0.23 -0.63 0.02 0.00 -2.44 0.00 0.00 57.07 54.26 2kk6 s TYR 68 Cb -0.15 -4.01 0.01 0.00 0.35 0.00 0.00 41.96 38.16 2kk6 s TYR 68 CO 0.09 -1.36 -0.10 0.08 -1.34 0.00 0.00 175.55 172.92 2kk6 s VAL 69 N 3.27 0.93 -1.48 3.14 1.01 -0.13 -4.80 120.40 122.34 2kk6 s VAL 69 Ca 0.18 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 2kk6 s VAL 69 Cb -0.19 -0.85 0.06 0.00 0.00 0.00 0.00 36.38 35.40 2kk6 s VAL 69 CO 0.10 0.30 1.03 0.47 0.00 0.00 0.00 175.10 177.00 2kk6 n ASP 70 N 3.54 -5.06 -1.33 3.32 8.00 -1.26 -0.90 116.55 122.85 2kk6 n ASP 70 Ca -0.21 -0.72 -0.17 0.00 0.71 0.00 0.00 54.79 54.41 2kk6 n ASP 70 Cb 0.53 -4.21 -0.07 0.00 -0.02 0.00 0.00 41.12 37.35 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 -2.89 -5.46 -4.16 -2.24 4.13 -1.26 -4.97 115.26 98.41 2kk6 n ASN 71 Ca 0.02 0.42 -0.26 0.00 1.68 0.00 0.00 54.58 56.44 2kk6 n ASN 71 Cb 0.54 -4.54 -0.16 0.00 -1.54 0.00 0.00 39.78 34.08 2kk6 n ASN 71 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2kk6 s MET 72 N -3.44 1.68 -0.08 3.52 -1.94 -0.08 -4.61 119.30 114.36 2kk6 s MET 72 Ca 0.00 -0.63 -0.23 0.00 -1.71 0.00 0.00 55.69 53.12 2kk6 s MET 72 Cb 0.00 -1.52 -0.04 0.00 2.01 0.00 0.00 34.83 35.29 2kk6 s MET 72 CO 0.00 0.31 0.68 0.71 -0.01 0.00 0.00 175.02 176.71 2kk6 s TYR 73 N -0.15 3.56 0.26 -0.03 2.02 0.12 -0.96 117.35 122.17 2kk6 s TYR 73 Ca 0.01 1.21 -0.05 0.00 -0.37 0.00 0.00 57.07 57.86 2kk6 s TYR 73 Cb -0.10 -2.78 -0.02 0.00 -0.40 0.00 0.00 41.96 38.66 2kk6 s TYR 73 CO 0.01 0.08 0.34 -0.98 -1.57 0.00 0.00 175.55 173.44 2kk6 s ARG 74 N 0.83 1.52 -0.03 -0.62 1.70 -0.12 -0.90 118.95 121.32 2kk6 s ARG 74 Ca 0.36 -1.54 -0.06 0.00 -0.47 0.00 0.00 55.73 54.02 2kk6 s ARG 74 Cb -0.17 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.57 2kk6 s ARG 74 CO 0.17 -0.59 -0.12 1.19 -1.08 0.00 0.00 175.30 174.87 2kk6 n PHE 75 N -0.40 0.00 0.00 5.89 3.72 -1.26 -0.19 117.46 125.22 2kk6 n PHE 75 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2kk6 n PHE 75 Cb 0.63 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 2kk6 n PHE 75 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2kk6 n GLU 76 N -3.46 0.00 0.00 -1.08 1.02 -1.26 -4.76 120.64 111.10 2kk6 n GLU 76 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2kk6 n GLU 76 Cb 0.18 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kk6 n GLY 77 N 2.55 -0.06 3.70 0.62 0.00 -1.26 -5.02 105.19 105.72 2kk6 n GLY 77 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2kk6 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kk6 s THR 78 N -0.16 2.80 0.25 2.61 2.01 -1.26 -4.97 115.64 116.92 2kk6 s THR 78 Ca 0.00 0.40 0.10 0.00 0.31 0.00 0.00 61.69 62.50 2kk6 s THR 78 Cb 0.00 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 2kk6 s THR 78 CO 0.00 0.01 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.07 2kk6 s GLY 79 N 1.98 1.70 0.01 4.40 0.00 -1.26 -4.43 107.32 109.72 2kk6 s GLY 79 Ca 0.74 -1.64 0.07 0.00 0.00 0.00 0.00 44.72 43.89 2kk6 s GLY 79 CO 0.32 -1.70 -0.21 -1.36 0.00 0.00 0.00 173.10 170.16 2kk6 s PHE 80 N -2.21 1.85 0.59 1.90 0.40 -0.08 -4.87 117.98 115.56 2kk6 s PHE 80 Ca 0.30 -0.36 0.31 0.00 -0.60 0.00 0.00 56.93 56.57 2kk6 s PHE 80 Cb -0.07 -1.15 1.85 0.00 0.51 0.00 0.00 43.02 44.16 2kk6 s PHE 80 CO 0.18 0.03 2.26 0.77 0.70 0.00 0.00 175.22 179.16 2kk6 h SER 81 N 5.26 0.00 -4.19 1.36 0.02 -1.86 0.33 113.55 114.47 2kk6 h SER 81 Ca -0.41 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.07 2kk6 h SER 81 Cb 1.15 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.40 2kk6 h SER 81 CO 0.46 0.01 -0.81 0.20 -1.14 0.00 0.00 176.83 175.55 2kk6 s ASN 82 N -6.10 1.57 0.16 3.07 0.01 -1.26 -4.66 114.94 107.72 2kk6 s ASN 82 Ca -0.05 -0.25 -0.16 0.00 -0.71 0.00 0.00 52.86 51.69 2kk6 s ASN 82 Cb 0.15 -0.17 0.04 0.00 0.41 0.00 0.00 41.25 41.68 2kk6 s ASN 82 CO 0.54 0.16 1.80 0.40 -1.51 0.00 0.00 177.10 178.48 2kk6 h ILE 83 N 4.80 1.04 -0.95 0.60 2.04 -1.93 -1.31 117.51 121.79 2kk6 h ILE 83 Ca -0.34 -0.16 0.16 0.00 1.00 0.00 0.00 64.86 65.52 2kk6 h ILE 83 Cb 1.16 0.53 -0.10 0.00 -0.74 0.00 0.00 36.82 37.67 2kk6 h ILE 83 CO 0.49 0.09 0.55 1.55 0.00 0.00 0.00 178.15 180.83 2kk6 h PRO 84 N 0.47 0.74 -0.49 2.37 0.13 -1.97 -1.37 132.00 131.88 2kk6 h PRO 84 Ca 0.16 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.13 2kk6 h PRO 84 Cb 0.01 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 30.96 2kk6 h PRO 84 CO -0.08 0.49 -0.16 1.96 -0.23 0.00 0.00 178.00 179.98 2kk6 h GLN 85 N 0.76 0.95 0.35 0.86 1.08 -1.84 0.64 115.11 117.91 2kk6 h GLN 85 Ca 0.52 -0.37 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2kk6 h GLN 85 Cb 0.74 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 2kk6 h GLN 85 CO -0.35 1.04 -0.41 1.25 -0.95 0.00 0.00 178.83 179.40 2kk6 h LEU 86 N 0.84 -1.14 0.08 1.46 5.85 -0.20 0.14 115.31 122.33 2kk6 h LEU 86 Ca 0.12 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2kk6 h LEU 86 Cb 0.72 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2kk6 h LEU 86 CO 0.05 -0.55 -0.04 0.40 -0.34 0.00 0.00 178.44 177.97 2kk6 h ILE 87 N -0.80 1.13 -0.27 4.05 1.08 -1.35 -2.88 117.51 118.48 2kk6 h ILE 87 Ca -0.02 -0.79 0.03 0.00 -0.39 0.00 0.00 64.86 63.69 2kk6 h ILE 87 Cb 0.73 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 36.09 2kk6 h ILE 87 CO -0.10 0.19 0.07 -0.78 -0.69 0.00 0.00 178.15 176.84 2kk6 h ASP 88 N -0.46 0.05 -0.63 1.72 3.58 -0.88 0.12 116.42 119.91 2kk6 h ASP 88 Ca -0.01 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2kk6 h ASP 88 Cb 0.40 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2kk6 h ASP 88 CO 0.02 0.06 0.34 -0.74 -2.88 0.00 0.00 179.24 176.04 2kk6 h HIS 89 N 0.18 0.88 -0.57 0.28 2.76 -1.04 0.17 115.15 117.81 2kk6 h HIS 89 Ca 0.12 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 2kk6 h HIS 89 Cb 0.11 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 2kk6 h HIS 89 CO -0.15 0.64 0.02 0.45 -1.30 0.00 0.00 177.93 177.59 2kk6 h HIS 90 N 0.87 1.05 0.10 5.26 3.86 -1.26 -1.63 115.15 123.41 2kk6 h HIS 90 Ca 0.22 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2kk6 h HIS 90 Cb 0.06 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.25 2kk6 h HIS 90 CO -0.01 0.93 -0.05 -0.92 0.86 0.00 0.00 177.93 178.74 2kk6 h TYR 91 N 0.90 -0.13 0.20 2.45 5.03 -0.15 0.19 116.97 125.47 2kk6 h TYR 91 Ca 0.17 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 2kk6 h TYR 91 Cb 0.50 0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.83 2kk6 h TYR 91 CO 0.03 0.09 -0.10 1.79 -1.32 0.00 0.00 178.16 178.65 2kk6 h THR 92 N -0.33 0.85 0.00 1.81 1.35 -0.69 -1.92 112.91 113.98 2kk6 h THR 92 Ca -0.01 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2kk6 h THR 92 Cb 0.27 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2kk6 h THR 92 CO 0.02 0.05 0.00 0.71 -0.25 0.00 0.00 175.52 176.06 2kk6 h THR 93 N -0.39 0.00 -2.12 6.82 1.35 -1.35 -3.46 112.91 113.76 2kk6 h THR 93 Ca -0.03 -0.15 -0.36 0.00 -0.55 0.00 0.00 66.41 65.32 2kk6 h THR 93 Cb 0.30 1.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.68 2kk6 h THR 93 CO 0.05 0.00 -0.43 1.17 -0.25 0.00 0.00 175.52 176.06 2kk6 n LYS 94 N -2.80 -1.38 -2.53 4.72 3.00 0.58 -5.00 118.16 114.75 2kk6 n LYS 94 Ca -0.01 0.93 -0.23 0.00 -0.00 0.00 0.00 58.31 59.00 2kk6 n LYS 94 Cb 0.14 -5.36 0.07 0.00 0.00 0.00 0.00 35.03 29.88 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 -4.55 2.15 0.58 1.64 -1.52 -0.69 -4.80 119.66 112.47 2kk6 s GLN 95 Ca 0.00 -0.80 -0.14 0.00 -1.95 0.00 0.00 55.36 52.47 2kk6 s GLN 95 Cb 0.00 -2.37 -0.05 0.00 -0.22 0.00 0.00 33.01 30.37 2kk6 s GLN 95 CO 0.00 -1.09 1.02 0.14 -0.25 0.00 0.00 175.29 175.11 2kk6 s VAL 96 N -3.00 4.44 -0.02 1.09 -7.23 -1.26 -4.13 120.40 110.29 2kk6 s VAL 96 Ca 0.61 1.00 -0.24 0.00 -1.81 0.00 0.00 61.98 61.55 2kk6 s VAL 96 Cb -0.09 -3.69 -0.17 0.00 0.56 0.00 0.00 36.38 32.99 2kk6 s VAL 96 CO 0.42 -0.84 1.09 0.40 -0.31 0.00 0.00 175.10 175.86 2kk6 h ILE 97 N 0.27 0.93 -3.97 -0.62 1.08 -1.28 -3.46 117.51 110.45 2kk6 h ILE 97 Ca -0.46 -0.95 -0.36 0.00 -0.39 0.00 0.00 64.86 62.70 2kk6 h ILE 97 Cb 1.19 1.46 -0.28 0.00 -3.07 0.00 0.00 36.82 36.12 2kk6 h ILE 97 CO 0.61 0.20 -0.77 0.42 -0.69 0.00 0.00 178.15 177.92 2kk6 s THR 98 N -4.04 0.57 0.27 -0.27 -4.23 -1.26 -4.71 115.64 101.97 2kk6 s THR 98 Ca -0.14 -0.34 0.33 0.00 -1.18 0.00 0.00 61.69 60.35 2kk6 s THR 98 Cb 0.01 -0.49 0.36 0.00 1.34 0.00 0.00 72.50 73.72 2kk6 s THR 98 CO 0.55 0.14 2.04 0.11 -0.54 0.00 0.00 174.62 176.92 2kk6 h LYS 99 N 5.90 0.00 0.00 3.99 1.79 -1.98 0.95 116.57 127.22 2kk6 h LYS 99 Ca -0.30 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.17 2kk6 h LYS 99 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2kk6 h LYS 99 CO 0.49 0.06 -0.02 -0.22 -1.08 0.00 0.00 179.45 178.69 2kk6 h LYS 100 N 0.00 0.00 0.00 3.15 3.64 -2.01 -3.38 116.57 117.97 2kk6 h LYS 100 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kk6 h LYS 100 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2kk6 h LYS 100 CO 0.01 0.02 -0.35 -1.13 -2.27 0.00 0.00 179.45 175.72 2kk6 n SER 101 N -3.12 1.14 0.00 4.20 3.41 -0.66 -5.06 113.62 113.53 2kk6 n SER 101 Ca 0.01 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2kk6 n SER 101 Cb 0.33 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 2.56 1.00 3.71 5.00 0.00 0.24 -5.05 105.19 112.65 2kk6 n GLY 102 Ca -0.05 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 5.04 0.15 1.61 1.01 -1.26 -4.91 120.40 120.03 2kk6 s VAL 103 Ca 0.00 1.41 0.05 0.00 0.00 0.00 0.00 61.98 63.44 2kk6 s VAL 103 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2kk6 s VAL 103 CO 0.00 0.23 0.11 -0.69 0.00 0.00 0.00 175.10 174.76 2kk6 s VAL 104 N 0.93 4.43 -0.30 2.92 1.01 -1.26 -0.73 120.40 127.40 2kk6 s VAL 104 Ca 0.36 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 2kk6 s VAL 104 Cb -0.17 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2kk6 s VAL 104 CO 0.17 -0.06 0.41 -0.76 0.00 0.00 0.00 175.10 174.86 2kk6 s LEU 105 N -2.93 4.20 0.06 3.92 1.43 -1.26 -4.86 118.68 119.24 2kk6 s LEU 105 Ca 0.30 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.47 2kk6 s LEU 105 Cb -0.10 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 2kk6 s LEU 105 CO 0.23 -0.29 0.06 -1.48 0.23 0.00 0.00 176.35 175.10 2kk6 s LEU 106 N 2.13 2.06 -0.11 1.79 2.34 -1.25 -4.76 118.68 120.88 2kk6 s LEU 106 Ca 0.15 -0.84 -0.10 0.00 0.06 0.00 0.00 54.13 53.41 2kk6 s LEU 106 Cb -0.16 0.53 0.01 0.00 -0.56 0.00 0.00 46.19 46.01 2kk6 s LEU 106 CO 0.11 -0.64 0.16 -0.46 -1.06 0.00 0.00 176.35 174.46 2kk6 n ASN 107 N 0.11 -3.41 -4.76 1.48 2.04 -1.26 -4.16 115.26 105.30 2kk6 n ASN 107 Ca -0.15 0.09 -0.33 0.00 -0.44 0.00 0.00 54.58 53.74 2kk6 n ASN 107 Cb 0.61 -0.88 0.06 0.00 -2.53 0.00 0.00 39.78 37.03 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.84 -0.44 0.00 0.00 177.26 173.98 2kk6 s PRO 108 N -0.91 2.67 -0.53 -0.53 0.02 -1.26 -4.26 135.00 130.19 2kk6 s PRO 108 Ca 0.09 1.50 -0.21 0.00 0.02 0.00 0.00 61.00 62.40 2kk6 s PRO 108 Cb -0.01 -1.92 0.06 0.00 0.02 0.00 0.00 34.50 32.64 2kk6 s PRO 108 CO 0.21 -1.37 0.74 0.42 -0.33 0.00 0.00 177.00 176.67 2kk6 s ILE 109 N -2.21 4.70 0.60 2.83 -1.09 -1.09 -4.91 121.20 120.03 2kk6 s ILE 109 Ca 0.69 -0.28 -0.08 0.00 -2.23 0.00 0.00 60.65 58.76 2kk6 s ILE 109 Cb -0.23 -4.40 0.13 0.00 -1.58 0.00 0.00 42.46 36.39 2kk6 s ILE 109 CO 0.41 -0.94 0.82 -0.81 -1.23 0.00 0.00 174.94 173.19 2kk6 n PRO 110 N 6.64 -0.57 -3.95 2.79 -0.04 -1.26 -3.59 135.00 135.02 2kk6 n PRO 110 Ca -0.04 -1.51 -0.09 0.00 -0.04 0.00 0.00 63.50 61.83 2kk6 n PRO 110 Cb 0.46 -0.78 -0.04 0.00 -0.04 0.00 0.00 33.50 33.11 2kk6 n PRO 110 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kk6 s LYS 111 N -4.72 1.69 0.18 0.54 -2.85 -1.17 -4.82 119.74 108.59 2kk6 s LYS 111 Ca 0.49 -1.22 -0.32 0.00 -1.00 0.00 0.00 55.97 53.92 2kk6 s LYS 111 Cb -0.02 0.52 -0.11 0.00 -2.06 0.00 0.00 37.83 36.16 2kk6 s LYS 111 CO 0.34 -0.73 1.72 -0.51 0.10 0.00 0.00 175.35 176.27 2kk6 s ASP 112 N -3.01 6.42 -1.33 0.03 1.11 -1.26 -4.84 116.67 113.79 2kk6 s ASP 112 Ca 0.19 2.81 -0.12 0.00 0.18 0.00 0.00 52.55 55.61 2kk6 s ASP 112 Cb -0.03 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.32 2kk6 s ASP 112 CO 0.09 -0.96 2.44 0.29 1.18 0.00 0.00 175.17 178.21 2kk6 n LYS 113 N 4.34 2.85 -2.54 8.23 4.76 -1.26 -4.84 118.16 129.70 2kk6 n LYS 113 Ca 0.16 -2.14 -0.05 0.00 -2.87 0.00 0.00 58.31 53.41 2kk6 n LYS 113 Cb 0.36 -2.90 -0.02 0.00 -1.84 0.00 0.00 35.03 30.63 2kk6 n LYS 113 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kk6 n LYS 114 N 4.94 0.18 -0.58 1.97 5.02 -1.26 -5.06 118.16 123.36 2kk6 n LYS 114 Ca 0.60 -0.80 0.03 0.00 -2.02 0.00 0.00 58.31 56.13 2kk6 n LYS 114 Cb 0.28 0.63 0.20 0.00 -0.02 0.00 0.00 35.03 36.12 2kk6 n LYS 114 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2kk6 n TRP 115 N -0.16 0.46 1.20 2.13 2.14 -1.26 -5.06 117.44 116.89 2kk6 n TRP 115 Ca 0.01 -1.41 0.10 0.00 2.07 0.00 0.00 57.50 58.27 2kk6 n TRP 115 Cb 0.14 -0.33 0.57 0.00 -0.81 0.00 0.00 31.31 30.89 2kk6 n TRP 115 CO 0.00 0.00 0.00 -0.89 2.07 0.00 0.00 177.69 178.87