#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 -0.50 1.91 3.03 0.00 -1.26 -1.62 105.19 106.76 2kk6 n GLY 2 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2kk6 n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kk6 n HIS 3 N -3.68 -1.10 -2.46 1.61 1.44 -1.26 -4.90 115.22 104.87 2kk6 n HIS 3 Ca -0.10 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.18 2kk6 n HIS 3 Cb 0.59 -1.86 -0.02 0.00 0.12 0.00 0.00 29.99 28.82 2kk6 n HIS 3 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kk6 s HIS 4 N -1.89 2.90 0.08 -1.40 4.02 -0.64 -5.01 115.29 113.35 2kk6 s HIS 4 Ca 0.00 1.06 -0.25 0.00 1.02 0.00 0.00 55.06 56.89 2kk6 s HIS 4 Cb 0.00 -3.54 -0.06 0.00 -1.02 0.00 0.00 32.58 27.96 2kk6 s HIS 4 CO 0.00 -1.50 0.76 -1.01 1.02 0.00 0.00 174.74 174.02 2kk6 s HIS 5 N 3.61 3.79 0.13 1.40 0.09 -1.26 -4.93 115.29 118.11 2kk6 s HIS 5 Ca 0.53 1.51 0.01 0.00 -0.00 0.00 0.00 55.06 57.11 2kk6 s HIS 5 Cb -0.20 -2.80 -0.04 0.00 -0.00 0.00 0.00 32.58 29.54 2kk6 s HIS 5 CO 0.15 0.35 -0.00 -1.01 -0.00 0.00 0.00 174.74 174.22 2kk6 s HIS 6 N -0.38 0.97 0.50 1.40 4.02 -1.26 -5.14 115.29 115.39 2kk6 s HIS 6 Ca 0.38 -1.05 -0.23 0.00 1.02 0.00 0.00 55.06 55.17 2kk6 s HIS 6 Cb -0.21 -0.56 -0.06 0.00 -1.02 0.00 0.00 32.58 30.72 2kk6 s HIS 6 CO 0.24 -0.29 1.35 -3.38 1.02 0.00 0.00 174.74 173.67 2kk6 s HIS 7 N -3.78 2.45 0.37 1.40 0.00 -1.26 -4.93 115.29 109.54 2kk6 s HIS 7 Ca 0.19 1.37 0.06 0.00 -3.00 0.00 0.00 55.06 53.68 2kk6 s HIS 7 Cb 0.06 -3.76 0.71 0.00 -4.00 0.00 0.00 32.58 25.59 2kk6 s HIS 7 CO -0.00 -2.66 1.94 1.12 -1.00 0.00 0.00 174.74 174.14 2kk6 h HIS 8 N 1.87 0.50 -2.55 0.38 -0.00 -2.06 -3.41 115.15 109.87 2kk6 h HIS 8 Ca -0.51 -0.03 -0.54 0.00 -0.00 0.00 0.00 60.37 59.30 2kk6 h HIS 8 Cb 1.28 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 28.49 2kk6 h HIS 8 CO 0.49 0.45 1.18 0.45 -0.00 0.00 0.00 177.93 180.49 2kk6 s SER 9 N -6.74 5.89 -0.30 3.10 0.15 -1.26 -4.86 113.70 109.68 2kk6 s SER 9 Ca -0.07 0.33 -0.14 0.00 0.70 0.00 0.00 55.95 56.77 2kk6 s SER 9 Cb 0.16 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 62.11 2kk6 s SER 9 CO 0.75 -1.89 1.12 -2.28 1.20 0.00 0.00 173.24 172.14 2kk6 s HIS 10 N 6.86 -0.32 0.03 3.44 5.65 -1.26 -5.15 115.29 124.55 2kk6 s HIS 10 Ca 0.57 0.27 -0.35 0.00 0.25 0.00 0.00 55.06 55.80 2kk6 s HIS 10 Cb -0.12 0.08 -0.13 0.00 -1.18 0.00 0.00 32.58 31.23 2kk6 s HIS 10 CO 0.24 -0.18 1.68 -1.33 -0.65 0.00 0.00 174.74 174.49 2kk6 n MET 11 N 5.30 2.00 -2.82 2.88 0.00 -1.26 -4.96 117.12 118.25 2kk6 n MET 11 Ca 0.00 0.73 -0.37 0.00 0.00 0.00 0.00 57.70 58.06 2kk6 n MET 11 Cb 0.56 -2.51 -0.06 0.00 0.00 0.00 0.00 33.22 31.21 2kk6 n MET 11 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2kk6 s LYS 12 N 2.20 4.53 0.86 0.03 -0.14 -1.26 -5.06 119.74 120.90 2kk6 s LYS 12 Ca 0.86 1.26 -0.11 0.00 -1.36 0.00 0.00 55.97 56.62 2kk6 s LYS 12 Cb -0.73 -2.79 0.11 0.00 -1.68 0.00 0.00 37.83 32.74 2kk6 s LYS 12 CO 0.45 0.28 1.14 -1.25 -0.76 0.00 0.00 175.35 175.21 2kk6 s PRO 13 N -2.08 1.48 0.23 -1.68 0.04 -1.26 -4.80 135.00 126.92 2kk6 s PRO 13 Ca 0.50 1.46 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 2kk6 s PRO 13 Cb -0.18 -1.79 0.37 0.00 0.04 0.00 0.00 34.50 32.94 2kk6 s PRO 13 CO 0.23 -2.27 1.72 1.25 0.04 0.00 0.00 177.00 177.97 2kk6 h LEU 14 N -1.52 0.17 -2.50 -3.56 5.85 -1.97 -0.47 115.31 111.32 2kk6 h LEU 14 Ca -0.44 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2kk6 h LEU 14 Cb 1.26 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2kk6 h LEU 14 CO 0.45 0.08 -0.01 0.00 -0.34 0.00 0.00 178.44 178.61 2kk6 h ALA 15 N 1.50 1.41 0.00 1.25 0.00 -1.95 -1.88 119.26 119.59 2kk6 h ALA 15 Ca 0.36 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 2kk6 h ALA 15 Cb 0.53 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2kk6 h ALA 15 CO -0.39 0.02 -1.17 0.93 0.00 0.00 0.00 179.25 178.63 2kk6 h GLU 16 N 0.00 0.00 -6.36 0.00 4.39 -1.44 -3.47 114.58 107.71 2kk6 h GLU 16 Ca -0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2kk6 h GLU 16 Cb 0.04 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2kk6 h GLU 16 CO 0.00 0.47 1.11 1.04 -1.16 0.00 0.00 179.01 180.46 2kk6 n GLN 17 N -3.06 2.46 0.24 2.33 1.13 -0.71 -4.87 117.38 114.90 2kk6 n GLN 17 Ca -0.06 0.90 0.07 0.00 -1.94 0.00 0.00 57.00 55.96 2kk6 n GLN 17 Cb 0.86 -2.77 0.59 0.00 0.11 0.00 0.00 30.24 29.02 2kk6 n GLN 17 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2kk6 h ASP 18 N 9.12 0.00 0.87 1.08 3.32 -1.90 -0.81 116.42 128.09 2kk6 h ASP 18 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2kk6 h ASP 18 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kk6 h ASP 18 CO 0.94 0.09 0.00 -2.67 -1.72 0.00 0.00 179.24 175.88 2kk6 n TRP 19 N -4.39 0.18 -2.98 4.55 4.27 -1.25 -0.13 117.44 117.69 2kk6 n TRP 19 Ca -0.03 0.06 -0.43 0.00 -3.89 0.00 0.00 57.50 53.21 2kk6 n TRP 19 Cb 0.17 -0.60 -0.05 0.00 -1.36 0.00 0.00 31.31 29.46 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 -3.04 2.97 -0.32 -2.67 5.04 -0.31 -0.51 117.35 118.51 2kk6 s TYR 20 Ca 0.10 0.01 0.10 0.00 -2.44 0.00 0.00 57.07 54.84 2kk6 s TYR 20 Cb 0.14 -3.69 0.75 0.00 0.35 0.00 0.00 41.96 39.51 2kk6 s TYR 20 CO 0.44 -1.06 1.77 0.72 -1.34 0.00 0.00 175.55 176.08 2kk6 n HIS 21 N 6.75 2.34 -4.38 4.97 8.25 -0.77 -4.81 115.22 127.57 2kk6 n HIS 21 Ca 0.01 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.40 2kk6 n HIS 21 Cb 0.48 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 0.05 0.89 2.80 -1.41 0.00 -1.26 -4.19 105.19 102.07 2kk6 n GLY 22 Ca 0.37 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 7.10 4.70 -2.50 4.61 0.00 -1.26 -0.50 120.51 132.66 2kk6 n ALA 23 Ca 0.00 -4.79 -0.31 0.00 0.00 0.00 0.00 53.44 48.34 2kk6 n ALA 23 Cb 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 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 -2.59 5.01 0.88 0.00 -4.36 -1.26 -4.88 121.20 114.00 2kk6 s ILE 24 Ca 0.34 0.28 -0.11 0.00 -0.26 0.00 0.00 60.65 60.90 2kk6 s ILE 24 Cb 0.08 -3.64 0.13 0.00 1.25 0.00 0.00 42.46 40.27 2kk6 s ILE 24 CO 0.05 -0.09 1.16 -2.84 0.24 0.00 0.00 174.94 173.46 2kk6 s PRO 25 N -2.92 1.19 0.26 0.37 0.02 -1.26 -4.81 135.00 127.85 2kk6 s PRO 25 Ca 0.45 1.61 -0.02 0.00 0.02 0.00 0.00 61.00 63.06 2kk6 s PRO 25 Cb -0.11 -1.74 0.42 0.00 0.02 0.00 0.00 34.50 33.09 2kk6 s PRO 25 CO 0.24 -2.52 1.85 -0.09 -0.33 0.00 0.00 177.00 176.15 2kk6 h ARG 26 N -1.60 1.01 0.07 5.54 2.43 -1.99 -2.43 114.38 117.41 2kk6 h ARG 26 Ca -0.44 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2kk6 h ARG 26 Cb 1.28 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 2kk6 h ARG 26 CO 0.43 0.67 -0.38 0.82 -1.51 0.00 0.00 179.97 180.00 2kk6 h ILE 27 N 1.04 0.22 -0.38 1.20 2.04 -1.99 -0.20 117.51 119.43 2kk6 h ILE 27 Ca 0.43 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.38 2kk6 h ILE 27 Cb 0.27 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2kk6 h ILE 27 CO -0.20 0.00 0.27 -0.33 0.00 0.00 0.00 178.15 177.88 2kk6 h GLU 28 N -0.58 0.09 -0.03 2.37 4.39 -1.82 -0.27 114.58 118.73 2kk6 h GLU 28 Ca 0.04 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2kk6 h GLU 28 Cb 0.63 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2kk6 h GLU 28 CO -0.25 0.06 -0.03 0.00 -1.16 0.00 0.00 179.01 177.63 2kk6 h ALA 29 N 1.81 0.04 -0.12 3.43 0.00 -0.87 -3.32 119.26 120.23 2kk6 h ALA 29 Ca 0.18 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2kk6 h ALA 29 Cb 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kk6 h ALA 29 CO -0.02 -0.17 -0.49 -0.56 0.00 0.00 0.00 179.25 178.01 2kk6 h GLN 30 N -0.43 0.31 0.00 0.00 3.07 -0.24 -3.11 115.11 114.72 2kk6 h GLN 30 Ca 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 58.65 58.56 2kk6 h GLN 30 Cb 0.56 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 2kk6 h GLN 30 CO 0.01 0.74 -0.05 0.93 0.09 0.00 0.00 178.83 180.55 2kk6 h GLU 31 N 0.25 0.00 0.00 0.06 4.39 -1.18 -0.49 114.58 117.60 2kk6 h GLU 31 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2kk6 h GLU 31 Cb 0.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2kk6 h GLU 31 CO 0.08 0.05 -1.06 1.47 -1.16 0.00 0.00 179.01 178.38 2kk6 n LEU 32 N -3.57 0.61 -4.55 1.33 -0.00 -1.18 -4.80 117.00 104.84 2kk6 n LEU 32 Ca -0.02 0.06 -0.43 0.00 -0.00 0.00 0.00 56.01 55.62 2kk6 n LEU 32 Cb 0.16 -0.09 -0.05 0.00 -0.00 0.00 0.00 43.42 43.44 2kk6 n LEU 32 CO 0.27 -0.01 0.63 -0.76 -0.00 0.00 0.00 177.39 177.53 2kk6 s LEU 33 N -4.23 4.16 0.00 1.47 1.43 -0.19 -4.80 118.68 116.53 2kk6 s LEU 33 Ca 0.02 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2kk6 s LEU 33 Cb 0.13 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.31 2kk6 s LEU 33 CO 0.80 -0.96 0.00 2.29 0.23 0.00 0.00 176.35 178.71 2kk6 n LYS 34 N 6.87 0.39 -4.25 1.70 2.85 -1.26 -4.92 118.16 119.53 2kk6 n LYS 34 Ca 0.04 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.12 2kk6 n LYS 34 Cb 0.48 -0.03 -0.11 0.00 -0.65 0.00 0.00 35.03 34.72 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 0.00 1.05 -0.28 -1.58 -2.85 -1.26 -5.09 119.74 109.74 2kk6 s LYS 35 Ca 0.00 -1.29 -0.28 0.00 -1.00 0.00 0.00 55.97 53.41 2kk6 s LYS 35 Cb 0.00 -0.89 -0.05 0.00 -2.06 0.00 0.00 37.83 34.83 2kk6 s LYS 35 CO 0.00 0.16 2.22 -1.14 0.10 0.00 0.00 175.35 176.70 2kk6 s GLN 36 N -2.85 2.96 0.00 1.78 0.74 -1.26 -2.56 119.66 118.47 2kk6 s GLN 36 Ca 0.11 1.87 0.00 0.00 0.05 0.00 0.00 55.36 57.39 2kk6 s GLN 36 Cb -0.04 -4.40 0.00 0.00 1.10 0.00 0.00 33.01 29.67 2kk6 s GLN 36 CO 0.03 -2.30 0.00 0.41 -0.55 0.00 0.00 175.29 172.88 2kk6 n GLY 37 N 5.79 2.56 3.67 2.59 0.00 -0.77 -5.05 105.19 113.98 2kk6 n GLY 37 Ca 0.30 -0.36 -0.49 0.00 0.00 0.00 0.00 46.02 45.47 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 2.87 -3.79 1.61 8.00 -1.06 -4.30 116.55 119.88 2kk6 n ASP 38 Ca 0.00 1.05 -0.12 0.00 0.71 0.00 0.00 54.79 56.43 2kk6 n ASP 38 Cb 0.00 -1.33 -0.09 0.00 -0.02 0.00 0.00 41.12 39.68 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 2.24 -0.09 0.03 1.24 -0.71 -1.26 -0.48 117.98 118.95 2kk6 s PHE 39 Ca 0.87 0.06 -0.14 0.00 -1.04 0.00 0.00 56.93 56.68 2kk6 s PHE 39 Cb -0.78 0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.10 2kk6 s PHE 39 CO 0.48 -0.39 0.32 -0.48 -1.34 0.00 0.00 175.22 173.80 2kk6 s LEU 40 N -1.56 0.82 -0.17 -1.99 2.34 -0.51 -2.95 118.68 114.66 2kk6 s LEU 40 Ca -0.11 -0.12 -0.04 0.00 0.06 0.00 0.00 54.13 53.92 2kk6 s LEU 40 Cb -0.04 1.38 -0.03 0.00 -0.56 0.00 0.00 46.19 46.94 2kk6 s LEU 40 CO 0.01 -0.59 -0.03 -0.69 -1.06 0.00 0.00 176.35 174.00 2kk6 s VAL 41 N -2.31 3.92 0.36 1.48 1.01 0.34 -1.04 120.40 124.16 2kk6 s VAL 41 Ca -0.07 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2kk6 s VAL 41 Cb -0.02 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 2kk6 s VAL 41 CO -0.02 0.48 -0.03 0.00 0.00 0.00 0.00 175.10 175.53 2kk6 s ARG 42 N 0.50 1.83 0.06 2.72 1.70 -0.43 -1.85 118.95 123.48 2kk6 s ARG 42 Ca -0.03 -1.99 0.05 0.00 -0.47 0.00 0.00 55.73 53.30 2kk6 s ARG 42 Cb -0.14 -1.51 -0.04 0.00 -0.57 0.00 0.00 34.95 32.69 2kk6 s ARG 42 CO 0.03 0.01 -0.07 -2.00 -1.08 0.00 0.00 175.30 172.19 2kk6 s GLU 43 N -3.70 2.38 0.12 3.89 2.12 0.35 -0.03 118.70 123.83 2kk6 s GLU 43 Ca 0.34 -0.87 -0.30 0.00 0.36 0.00 0.00 54.97 54.50 2kk6 s GLU 43 Cb 0.07 -2.43 -0.06 0.00 0.26 0.00 0.00 34.13 31.97 2kk6 s GLU 43 CO 0.16 0.55 0.99 0.45 -0.54 0.00 0.00 175.26 176.87 2kk6 s SER 44 N -1.93 7.46 0.11 -1.70 0.15 0.96 -4.36 113.70 114.39 2kk6 s SER 44 Ca 0.21 1.84 -0.10 0.00 0.70 0.00 0.00 55.95 58.59 2kk6 s SER 44 Cb -0.11 -2.59 -0.14 0.00 -1.71 0.00 0.00 66.02 61.47 2kk6 s SER 44 CO 0.12 -0.09 1.29 0.45 1.20 0.00 0.00 173.24 176.21 2kk6 h HIS 45 N 5.53 0.93 -0.19 3.44 3.86 -1.90 -3.30 115.15 123.53 2kk6 h HIS 45 Ca -0.43 -0.45 -0.17 0.00 -1.16 0.00 0.00 60.37 58.16 2kk6 h HIS 45 Cb 1.21 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 2kk6 h HIS 45 CO 0.64 1.27 -0.58 0.78 0.86 0.00 0.00 177.93 180.91 2kk6 h GLY 46 N 0.71 0.65 -7.33 2.45 0.00 -1.98 -3.40 103.07 94.17 2kk6 h GLY 46 Ca -0.07 -0.79 -0.63 0.00 0.00 0.00 0.00 47.33 45.84 2kk6 h GLY 46 CO 0.17 0.70 -0.70 1.25 0.00 0.00 0.00 176.54 177.96 2kk6 s LYS 47 N -3.96 1.45 0.10 4.80 2.47 -1.24 -5.10 119.74 118.26 2kk6 s LYS 47 Ca -0.08 -2.00 -0.32 0.00 -1.56 0.00 0.00 55.97 52.01 2kk6 s LYS 47 Cb 0.11 -2.82 -0.12 0.00 -1.46 0.00 0.00 37.83 33.54 2kk6 s LYS 47 CO 0.85 -1.05 1.79 -2.30 0.16 0.00 0.00 175.35 174.80 2kk6 n PRO 48 N 3.83 2.57 0.00 4.03 -0.02 -1.24 -1.37 135.00 142.79 2kk6 n PRO 48 Ca 0.04 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2kk6 n PRO 48 Cb 0.37 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 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 4.09 0.41 3.49 -1.23 0.00 -1.26 -5.04 105.19 105.65 2kk6 n GLY 49 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.89 3.24 -0.21 1.61 2.12 -0.47 -4.97 118.70 119.12 2kk6 s GLU 50 Ca 0.00 -0.53 -0.17 0.00 0.36 0.00 0.00 54.97 54.63 2kk6 s GLU 50 Cb 0.00 -4.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.25 2kk6 s GLU 50 CO 0.00 -1.51 0.46 0.71 -0.54 0.00 0.00 175.26 174.38 2kk6 s TYR 51 N 3.71 3.35 -0.24 5.30 1.51 -1.26 -0.03 117.35 129.69 2kk6 s TYR 51 Ca 0.25 0.66 -0.06 0.00 -1.01 0.00 0.00 57.07 56.91 2kk6 s TYR 51 Cb -0.15 -2.61 -0.02 0.00 -0.11 0.00 0.00 41.96 39.07 2kk6 s TYR 51 CO 0.16 -0.10 0.04 0.08 -1.11 0.00 0.00 175.55 174.62 2kk6 s VAL 52 N 1.62 4.10 0.06 0.71 1.01 0.95 -0.37 120.40 128.48 2kk6 s VAL 52 Ca 0.21 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2kk6 s VAL 52 Cb -0.15 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.26 2kk6 s VAL 52 CO 0.09 0.36 0.67 -0.22 0.00 0.00 0.00 175.10 176.00 2kk6 s LEU 53 N 1.56 4.49 -0.16 3.92 2.96 0.82 -1.31 118.68 130.97 2kk6 s LEU 53 Ca 0.06 1.36 -0.02 0.00 -0.22 0.00 0.00 54.13 55.32 2kk6 s LEU 53 Cb -0.15 -3.07 0.05 0.00 0.50 0.00 0.00 46.19 43.51 2kk6 s LEU 53 CO 0.02 0.15 -0.00 -0.44 -1.32 0.00 0.00 176.35 174.75 2kk6 s SER 54 N -0.58 2.61 -0.02 3.68 0.01 -0.20 -0.78 113.70 118.41 2kk6 s SER 54 Ca 0.33 -0.61 0.04 0.00 1.31 0.00 0.00 55.95 57.03 2kk6 s SER 54 Cb -0.20 -0.68 -0.01 0.00 0.21 0.00 0.00 66.02 65.34 2kk6 s SER 54 CO 0.21 -0.24 -0.15 0.54 0.41 0.00 0.00 173.24 174.01 2kk6 s VAL 55 N 1.80 1.17 -0.63 3.43 0.11 -0.17 -1.43 120.40 124.68 2kk6 s VAL 55 Ca 0.01 -0.62 -0.26 0.00 -2.93 0.00 0.00 61.98 58.18 2kk6 s VAL 55 Cb -0.15 -0.98 0.04 0.00 -1.53 0.00 0.00 36.38 33.76 2kk6 s VAL 55 CO -0.07 0.33 1.11 -0.47 -3.33 0.00 0.00 175.10 172.67 2kk6 s TYR 56 N -0.26 2.57 -0.01 1.54 6.14 0.37 0.08 117.35 127.78 2kk6 s TYR 56 Ca 0.04 0.00 -0.02 0.00 0.64 0.00 0.00 57.07 57.73 2kk6 s TYR 56 Cb -0.07 -4.40 -0.00 0.00 0.42 0.00 0.00 41.96 37.92 2kk6 s TYR 56 CO -0.00 -1.68 0.04 0.45 0.64 0.00 0.00 175.55 175.00 2kk6 s SER 57 N 3.28 0.01 -0.04 4.32 0.15 -0.32 -1.84 113.70 119.26 2kk6 s SER 57 Ca 0.34 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2kk6 s SER 57 Cb -0.11 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2kk6 s SER 57 CO 0.18 -0.09 0.00 0.47 1.20 0.00 0.00 173.24 175.00 2kk6 n ASP 58 N 2.67 -4.76 0.00 5.45 8.00 -1.26 -1.50 116.55 125.15 2kk6 n ASP 58 Ca -0.15 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2kk6 n ASP 58 Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 41.12 39.40 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 -0.67 1.08 3.58 0.44 0.00 -1.26 -5.05 105.19 103.30 2kk6 n GLY 59 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.61 2.07 -0.65 1.61 -0.21 -0.56 -5.08 119.66 116.22 2kk6 s GLN 60 Ca 0.00 -1.43 -0.26 0.00 0.02 0.00 0.00 55.36 53.69 2kk6 s GLN 60 Cb 0.00 -2.08 0.04 0.00 1.00 0.00 0.00 33.01 31.97 2kk6 s GLN 60 CO 0.00 0.39 1.16 1.03 -2.12 0.00 0.00 175.29 175.74 2kk6 s ARG 61 N -3.29 3.30 -0.15 2.91 3.00 -1.26 -1.18 118.95 122.29 2kk6 s ARG 61 Ca 0.28 -0.17 -0.29 0.00 0.00 0.00 0.00 55.73 55.55 2kk6 s ARG 61 Cb -0.07 -4.11 -0.01 0.00 0.00 0.00 0.00 34.95 30.75 2kk6 s ARG 61 CO 0.17 -1.85 1.15 1.03 0.00 0.00 0.00 175.30 175.79 2kk6 s ARG 62 N 4.99 4.30 -0.23 3.54 1.81 0.11 -4.87 118.95 128.60 2kk6 s ARG 62 Ca 0.35 1.54 -0.03 0.00 -1.72 0.00 0.00 55.73 55.87 2kk6 s ARG 62 Cb -0.10 -3.65 0.01 0.00 -0.45 0.00 0.00 34.95 30.77 2kk6 s ARG 62 CO 0.18 -0.56 -0.05 -1.01 -0.68 0.00 0.00 175.30 173.18 2kk6 s HIS 63 N 2.86 2.99 -0.16 -0.53 3.76 -1.26 -1.00 115.29 121.97 2kk6 s HIS 63 Ca 0.51 -1.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 2kk6 s HIS 63 Cb -0.20 -2.08 0.02 0.00 1.11 0.00 0.00 32.58 31.43 2kk6 s HIS 63 CO 0.15 -0.64 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.18 2kk6 s PHE 64 N 1.41 2.30 0.25 1.40 0.08 0.04 -4.95 117.98 118.50 2kk6 s PHE 64 Ca 0.03 -1.32 -0.29 0.00 0.12 0.00 0.00 56.93 55.48 2kk6 s PHE 64 Cb -0.15 -1.66 -0.09 0.00 -0.57 0.00 0.00 43.02 40.55 2kk6 s PHE 64 CO -0.04 -0.70 0.93 0.42 -0.10 0.00 0.00 175.22 175.73 2kk6 s ILE 65 N 1.45 4.10 -0.43 0.64 1.01 -1.26 -0.13 121.20 126.58 2kk6 s ILE 65 Ca 0.05 2.04 -0.23 0.00 0.00 0.00 0.00 60.65 62.50 2kk6 s ILE 65 Cb -0.13 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.08 2kk6 s ILE 65 CO -0.11 0.45 0.80 -0.63 0.00 0.00 0.00 174.94 175.45 2kk6 s ILE 66 N -1.24 4.65 -0.29 2.92 1.01 0.50 -4.61 121.20 124.14 2kk6 s ILE 66 Ca 0.42 0.57 -0.22 0.00 0.00 0.00 0.00 60.65 61.42 2kk6 s ILE 66 Cb -0.25 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 2kk6 s ILE 66 CO 0.31 -0.66 0.69 -1.10 0.00 0.00 0.00 174.94 174.18 2kk6 s GLN 67 N 3.29 4.00 -0.79 2.79 1.11 -0.15 -4.43 119.66 125.49 2kk6 s GLN 67 Ca 0.31 0.51 -0.25 0.00 0.01 0.00 0.00 55.36 55.94 2kk6 s GLN 67 Cb -0.12 -3.70 0.05 0.00 -1.01 0.00 0.00 33.01 28.23 2kk6 s GLN 67 CO 0.22 -0.55 1.23 -0.47 0.01 0.00 0.00 175.29 175.72 2kk6 s TYR 68 N 2.70 2.48 0.02 0.91 5.04 -1.26 -2.10 117.35 125.14 2kk6 s TYR 68 Ca 0.28 -0.42 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 2kk6 s TYR 68 Cb -0.15 -4.54 -0.02 0.00 0.35 0.00 0.00 41.96 37.60 2kk6 s TYR 68 CO 0.11 -1.91 -0.14 0.08 -1.34 0.00 0.00 175.55 172.35 2kk6 s VAL 69 N 4.98 1.07 -1.56 3.14 1.01 0.03 -4.74 120.40 124.33 2kk6 s VAL 69 Ca 0.34 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2kk6 s VAL 69 Cb -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.35 2kk6 s VAL 69 CO 0.07 0.10 0.00 0.47 0.00 0.00 0.00 175.10 175.74 2kk6 n ASP 70 N 2.20 -5.20 -1.48 3.32 8.00 -1.26 -0.88 116.55 121.24 2kk6 n ASP 70 Ca -0.17 0.08 -0.17 0.00 0.71 0.00 0.00 54.79 55.24 2kk6 n ASP 70 Cb 0.55 -4.37 -0.05 0.00 -0.02 0.00 0.00 41.12 37.23 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 -1.90 -4.97 -4.16 -2.24 3.02 -1.26 -5.01 115.26 98.75 2kk6 n ASN 71 Ca -0.21 0.26 -0.16 0.00 -0.03 0.00 0.00 54.58 54.44 2kk6 n ASN 71 Cb 0.66 -3.98 -0.12 0.00 -0.61 0.00 0.00 39.78 35.73 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 -3.89 0.79 -0.15 3.52 -1.94 -0.06 -4.73 119.30 112.84 2kk6 s MET 72 Ca 0.00 -0.99 -0.19 0.00 -1.71 0.00 0.00 55.69 52.80 2kk6 s MET 72 Cb 0.00 -0.67 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 2kk6 s MET 72 CO 0.00 0.14 0.52 0.71 -0.01 0.00 0.00 175.02 176.37 2kk6 s TYR 73 N -1.64 3.45 0.03 -0.03 2.02 0.57 -0.79 117.35 120.96 2kk6 s TYR 73 Ca -0.01 0.87 -0.22 0.00 -0.37 0.00 0.00 57.07 57.34 2kk6 s TYR 73 Cb -0.08 -2.63 0.05 0.00 -0.40 0.00 0.00 41.96 38.90 2kk6 s TYR 73 CO 0.01 0.04 0.51 -0.98 -1.57 0.00 0.00 175.55 173.56 2kk6 s ARG 74 N 1.11 0.98 -0.10 -0.62 1.70 -0.89 -1.67 118.95 119.46 2kk6 s ARG 74 Ca 0.26 -0.18 0.17 0.00 -0.47 0.00 0.00 55.73 55.51 2kk6 s ARG 74 Cb -0.15 0.45 -0.24 0.00 -0.57 0.00 0.00 34.95 34.44 2kk6 s ARG 74 CO 0.10 -0.34 0.37 1.19 -1.08 0.00 0.00 175.30 175.55 2kk6 n PHE 75 N 0.58 0.40 0.00 5.89 3.72 -1.26 -0.98 117.46 125.81 2kk6 n PHE 75 Ca -0.19 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2kk6 n PHE 75 Cb 0.59 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 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 -2.80 0.00 0.03 -1.08 2.13 -1.26 -4.88 120.64 112.78 2kk6 n GLU 76 Ca -0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.59 2kk6 n GLU 76 Cb 1.03 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.74 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 0.59 -0.00 3.66 8.31 0.00 -1.26 -5.03 105.19 111.45 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 -1.46 3.22 0.12 2.61 2.01 -1.26 -4.99 115.64 115.89 2kk6 s THR 78 Ca 0.00 0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.31 2kk6 s THR 78 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2kk6 s THR 78 CO 0.00 -0.03 -0.11 -0.83 -0.69 0.00 0.00 174.62 172.96 2kk6 s GLY 79 N 4.28 0.97 0.14 4.40 0.00 -1.26 -4.49 107.32 111.37 2kk6 s GLY 79 Ca 0.84 -1.35 0.05 0.00 0.00 0.00 0.00 44.72 44.26 2kk6 s GLY 79 CO 0.37 -1.43 -0.11 -1.36 0.00 0.00 0.00 173.10 170.56 2kk6 s PHE 80 N -2.85 1.32 0.28 1.90 0.40 -0.67 -4.90 117.98 113.46 2kk6 s PHE 80 Ca 0.11 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.74 2kk6 s PHE 80 Cb -0.00 -0.67 0.39 0.00 0.51 0.00 0.00 43.02 43.24 2kk6 s PHE 80 CO 0.00 0.12 1.88 0.77 0.70 0.00 0.00 175.22 178.69 2kk6 h SER 81 N 2.99 0.89 -3.75 1.36 0.02 -1.87 0.16 113.55 113.36 2kk6 h SER 81 Ca -0.37 -0.10 -0.68 0.00 -0.84 0.00 0.00 61.79 59.80 2kk6 h SER 81 Cb 1.20 -0.23 -0.29 0.00 0.14 0.00 0.00 62.40 63.21 2kk6 h SER 81 CO 0.59 0.76 -0.84 0.20 -1.14 0.00 0.00 176.83 176.41 2kk6 s ASN 82 N -6.43 3.44 0.19 3.07 0.01 -1.26 -4.52 114.94 109.43 2kk6 s ASN 82 Ca -0.11 -0.43 -0.13 0.00 -0.71 0.00 0.00 52.86 51.48 2kk6 s ASN 82 Cb 0.16 -1.11 0.19 0.00 0.41 0.00 0.00 41.25 40.90 2kk6 s ASN 82 CO 0.80 0.23 1.70 0.40 -1.51 0.00 0.00 177.10 178.72 2kk6 h ILE 83 N 5.13 0.66 -0.93 0.60 2.04 -1.93 -0.27 117.51 122.81 2kk6 h ILE 83 Ca -0.31 -0.06 0.19 0.00 1.00 0.00 0.00 64.86 65.68 2kk6 h ILE 83 Cb 1.19 0.48 -0.11 0.00 -0.74 0.00 0.00 36.82 37.65 2kk6 h ILE 83 CO 0.50 0.03 0.51 1.55 0.00 0.00 0.00 178.15 180.74 2kk6 h PRO 84 N 0.17 0.62 -0.07 2.37 0.13 -1.94 -1.35 132.00 131.92 2kk6 h PRO 84 Ca 0.25 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 65.15 2kk6 h PRO 84 Cb 0.36 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 2kk6 h PRO 84 CO -0.37 0.41 -0.78 1.96 -0.23 0.00 0.00 178.00 178.99 2kk6 h GLN 85 N 0.63 0.43 0.25 0.86 1.08 -1.67 0.35 115.11 117.04 2kk6 h GLN 85 Ca 0.54 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2kk6 h GLN 85 Cb 0.88 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 2kk6 h GLN 85 CO -0.41 1.02 -0.28 1.25 -0.95 0.00 0.00 178.83 179.45 2kk6 h LEU 86 N 0.28 -0.77 0.10 1.46 5.85 -0.16 -0.36 115.31 121.72 2kk6 h LEU 86 Ca -0.04 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2kk6 h LEU 86 Cb 1.37 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.67 2kk6 h LEU 86 CO 0.14 -0.40 -0.05 0.40 -0.34 0.00 0.00 178.44 178.19 2kk6 h ILE 87 N -0.57 1.06 -0.25 4.05 1.08 -1.32 -2.78 117.51 118.78 2kk6 h ILE 87 Ca -0.00 -0.66 0.06 0.00 -0.39 0.00 0.00 64.86 63.87 2kk6 h ILE 87 Cb 0.54 1.48 -0.06 0.00 -3.07 0.00 0.00 36.82 35.71 2kk6 h ILE 87 CO -0.08 0.16 -0.13 -0.78 -0.69 0.00 0.00 178.15 176.63 2kk6 h ASP 88 N -0.45 -0.44 -0.19 1.72 3.58 -0.92 0.20 116.42 119.94 2kk6 h ASP 88 Ca -0.01 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.45 2kk6 h ASP 88 Cb 0.37 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2kk6 h ASP 88 CO 0.02 -0.17 -0.16 -0.74 -2.88 0.00 0.00 179.24 175.32 2kk6 h HIS 89 N -0.10 0.65 0.00 0.28 2.76 -1.13 0.49 115.15 118.10 2kk6 h HIS 89 Ca 0.14 -0.12 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 2kk6 h HIS 89 Cb 0.31 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2kk6 h HIS 89 CO -0.31 0.72 -0.53 0.45 -1.30 0.00 0.00 177.93 176.96 2kk6 h HIS 90 N 0.54 0.00 -0.11 5.26 3.86 -1.13 -1.62 115.15 121.94 2kk6 h HIS 90 Ca 0.09 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 2kk6 h HIS 90 Cb 0.58 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 2kk6 h HIS 90 CO 0.02 0.53 -0.15 -0.92 0.86 0.00 0.00 177.93 178.27 2kk6 h TYR 91 N 0.00 0.37 -0.20 2.45 5.03 0.25 -0.42 116.97 124.45 2kk6 h TYR 91 Ca -0.01 -0.12 -0.04 0.00 2.58 0.00 0.00 58.73 61.14 2kk6 h TYR 91 Cb 0.96 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.16 2kk6 h TYR 91 CO 0.00 0.75 -0.04 1.79 -1.32 0.00 0.00 178.16 179.33 2kk6 h THR 92 N -0.12 1.28 0.00 1.81 1.35 -0.95 -2.76 112.91 113.52 2kk6 h THR 92 Ca 0.01 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2kk6 h THR 92 Cb 0.71 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2kk6 h THR 92 CO 0.04 0.31 0.00 0.35 -0.25 0.00 0.00 175.52 175.97 2kk6 n THR 93 N -4.62 0.77 -3.50 6.82 -2.24 -0.61 -4.91 114.28 105.99 2kk6 n THR 93 Ca -0.05 0.14 -0.24 0.00 -2.27 0.00 0.00 64.05 61.63 2kk6 n THR 93 Cb 0.28 -0.98 0.06 0.00 -2.10 0.00 0.00 70.33 67.58 2kk6 n THR 93 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kk6 n LYS 94 N -2.01 -6.81 -3.88 -0.78 3.00 -0.23 -4.99 118.16 102.45 2kk6 n LYS 94 Ca 0.03 0.81 -0.22 0.00 -0.00 0.00 0.00 58.31 58.94 2kk6 n LYS 94 Cb 0.26 -5.79 -0.04 0.00 0.00 0.00 0.00 35.03 29.45 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 -6.21 2.64 0.65 1.64 -1.52 -0.79 -4.89 119.66 111.18 2kk6 s GLN 95 Ca 0.53 -1.36 -0.13 0.00 -1.95 0.00 0.00 55.36 52.44 2kk6 s GLN 95 Cb -0.24 -2.40 -0.01 0.00 -0.22 0.00 0.00 33.01 30.14 2kk6 s GLN 95 CO 0.65 0.09 1.06 0.14 -0.25 0.00 0.00 175.29 176.98 2kk6 s VAL 96 N -2.34 3.89 -0.05 1.09 -7.23 -1.26 -4.13 120.40 110.38 2kk6 s VAL 96 Ca 0.40 0.76 -0.17 0.00 -1.81 0.00 0.00 61.98 61.15 2kk6 s VAL 96 Cb -0.05 -3.37 -0.12 0.00 0.56 0.00 0.00 36.38 33.40 2kk6 s VAL 96 CO 0.26 -0.67 0.71 0.40 -0.31 0.00 0.00 175.10 175.49 2kk6 h ILE 97 N -0.14 0.51 -3.81 -0.62 1.08 -1.06 -3.46 117.51 110.02 2kk6 h ILE 97 Ca -0.45 -0.97 -0.53 0.00 -0.39 0.00 0.00 64.86 62.51 2kk6 h ILE 97 Cb 1.22 0.87 -0.31 0.00 -3.07 0.00 0.00 36.82 35.52 2kk6 h ILE 97 CO 0.57 0.14 -0.83 0.42 -0.69 0.00 0.00 178.15 177.76 2kk6 s THR 98 N -3.19 1.28 -0.22 -0.27 -4.23 -1.26 -4.61 115.64 103.13 2kk6 s THR 98 Ca -0.10 -0.62 0.28 0.00 -1.18 0.00 0.00 61.69 60.07 2kk6 s THR 98 Cb 0.00 -1.11 0.32 0.00 1.34 0.00 0.00 72.50 73.05 2kk6 s THR 98 CO 0.36 0.38 1.84 0.11 -0.54 0.00 0.00 174.62 176.76 2kk6 h LYS 99 N 6.38 0.00 0.00 3.99 1.79 -1.98 0.25 116.57 127.01 2kk6 h LYS 99 Ca -0.32 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.11 2kk6 h LYS 99 Cb 1.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 2kk6 h LYS 99 CO 0.48 0.00 -0.20 0.87 -1.08 0.00 0.00 179.45 179.52 2kk6 h LYS 100 N 0.00 0.00 0.00 3.15 1.57 -2.02 -3.39 116.57 115.88 2kk6 h LYS 100 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kk6 h LYS 100 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2kk6 h LYS 100 CO 0.00 0.20 -0.29 0.45 -0.57 0.00 0.00 179.45 179.24 2kk6 n SER 101 N -3.28 1.10 0.00 0.86 2.88 -0.92 -5.10 113.62 109.16 2kk6 n SER 101 Ca 0.01 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2kk6 n SER 101 Cb 0.46 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2kk6 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kk6 n GLY 102 N 2.75 0.65 3.58 0.46 0.00 0.84 -5.06 105.19 108.41 2kk6 n GLY 102 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.18 4.37 0.10 1.61 1.01 -1.26 -4.97 120.40 120.09 2kk6 s VAL 103 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2kk6 s VAL 103 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2kk6 s VAL 103 CO 0.00 0.48 0.14 -0.69 0.00 0.00 0.00 175.10 175.03 2kk6 s VAL 104 N 0.32 4.77 -0.23 2.92 1.01 -1.26 -0.33 120.40 127.59 2kk6 s VAL 104 Ca 0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 2kk6 s VAL 104 Cb -0.13 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2kk6 s VAL 104 CO 0.01 0.06 0.40 -0.76 0.00 0.00 0.00 175.10 174.82 2kk6 s LEU 105 N -2.64 4.10 0.04 3.92 1.43 -1.26 -4.93 118.68 119.33 2kk6 s LEU 105 Ca 0.31 0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.80 2kk6 s LEU 105 Cb -0.12 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 2kk6 s LEU 105 CO 0.24 -0.14 0.07 -1.48 0.23 0.00 0.00 176.35 175.27 2kk6 s LEU 106 N 1.72 1.90 -0.02 1.79 2.34 -1.26 -4.70 118.68 120.44 2kk6 s LEU 106 Ca 0.18 -0.56 -0.02 0.00 0.06 0.00 0.00 54.13 53.79 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 -0.49 0.03 -0.46 -1.06 0.00 0.00 176.35 174.46 2kk6 n ASN 107 N 0.82 -4.20 -4.77 1.48 2.04 -1.26 -4.48 115.26 104.89 2kk6 n ASN 107 Ca -0.19 0.23 -0.38 0.00 -0.44 0.00 0.00 54.58 53.80 2kk6 n ASN 107 Cb 0.58 -1.02 -0.02 0.00 -2.53 0.00 0.00 39.78 36.80 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 -0.72 3.98 -0.30 -0.53 0.02 -1.26 -4.39 135.00 131.80 2kk6 s PRO 108 Ca 0.02 1.84 -0.24 0.00 0.02 0.00 0.00 61.00 62.65 2kk6 s PRO 108 Cb -0.00 -2.62 -0.00 0.00 0.02 0.00 0.00 34.50 31.90 2kk6 s PRO 108 CO 0.04 -0.38 0.80 0.42 -0.33 0.00 0.00 177.00 177.55 2kk6 s ILE 109 N -1.43 4.79 0.60 2.83 -1.09 -1.15 -4.95 121.20 120.80 2kk6 s ILE 109 Ca 0.59 1.27 -0.18 0.00 -2.23 0.00 0.00 60.65 60.09 2kk6 s ILE 109 Cb -0.31 -4.15 -0.05 0.00 -1.58 0.00 0.00 42.46 36.37 2kk6 s ILE 109 CO 0.38 -0.23 0.89 -2.65 -1.23 0.00 0.00 174.94 172.11 2kk6 n PRO 110 N 6.19 0.80 -2.36 2.79 -0.02 -1.26 -3.79 135.00 137.36 2kk6 n PRO 110 Ca 0.04 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.48 2kk6 n PRO 110 Cb 0.48 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.68 3.73 -0.41 -0.52 -2.85 0.81 -4.88 119.74 112.94 2kk6 s LYS 111 Ca 0.75 1.61 -0.24 0.00 -1.00 0.00 0.00 55.97 57.10 2kk6 s LYS 111 Cb -0.42 -2.27 0.02 0.00 -2.06 0.00 0.00 37.83 33.10 2kk6 s LYS 111 CO 0.48 -0.54 0.81 0.16 0.10 0.00 0.00 175.35 176.35 2kk6 s ASP 112 N -1.61 6.50 0.00 0.03 1.47 -1.26 -4.91 116.67 116.89 2kk6 s ASP 112 Ca 0.66 0.18 0.24 0.00 1.18 0.00 0.00 52.55 54.80 2kk6 s ASP 112 Cb -0.24 -2.40 1.05 0.00 -0.34 0.00 0.00 42.92 40.99 2kk6 s ASP 112 CO 0.29 -0.84 1.78 0.29 0.68 0.00 0.00 175.17 177.36 2kk6 n LYS 113 N 6.63 0.04 -2.35 2.11 4.76 -1.26 -4.63 118.16 123.47 2kk6 n LYS 113 Ca 0.03 0.08 -0.35 0.00 -2.87 0.00 0.00 58.31 55.20 2kk6 n LYS 113 Cb 0.48 -1.50 -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 0.15 -1.37 0.00 0.00 177.40 176.18 2kk6 s LYS 114 N -2.95 3.20 0.00 1.97 3.01 -1.26 -4.77 119.74 118.94 2kk6 s LYS 114 Ca 0.13 -0.96 0.20 0.00 -1.01 0.00 0.00 55.97 54.33 2kk6 s LYS 114 Cb 0.16 -5.27 1.19 0.00 -1.01 0.00 0.00 37.83 32.89 2kk6 s LYS 114 CO 0.43 -2.76 1.60 -2.67 0.51 0.00 0.00 175.35 172.45 2kk6 n TRP 115 N 11.01 0.00 1.32 3.18 4.27 -1.26 -5.29 117.44 130.68 2kk6 n TRP 115 Ca 0.38 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 54.10 2kk6 n TRP 115 Cb 0.49 -0.03 0.63 0.00 -1.36 0.00 0.00 31.31 31.04 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -2.29 0.00 0.00 177.69 175.84