#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 -0.63 1.76 3.03 0.00 -1.26 -4.90 105.19 103.19 2kk6 n GLY 2 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.69 0.00 1.46 1.61 -0.00 -1.26 -4.46 115.22 111.89 2kk6 n HIS 3 Ca 0.01 -1.17 0.00 0.00 -0.00 0.00 0.00 57.72 56.55 2kk6 n HIS 3 Cb 0.20 -0.98 0.00 0.00 -0.00 0.00 0.00 29.99 29.21 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 1.99 0.00 -3.91 1.57 -0.00 -1.26 -4.71 115.22 108.90 2kk6 n HIS 4 Ca 0.19 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.77 2kk6 n HIS 4 Cb 0.66 -0.05 -0.15 0.00 -0.00 0.00 0.00 29.99 30.45 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 -1.48 0.16 -0.60 -1.40 0.09 -1.26 -5.12 115.29 105.69 2kk6 s HIS 5 Ca 0.00 0.01 -0.21 0.00 -0.00 0.00 0.00 55.06 54.86 2kk6 s HIS 5 Cb 0.00 -0.21 0.07 0.00 -0.00 0.00 0.00 32.58 32.44 2kk6 s HIS 5 CO 0.00 -0.06 0.84 -1.58 -0.00 0.00 0.00 174.74 173.94 2kk6 s HIS 6 N 0.49 2.84 0.26 1.40 5.04 -1.26 -5.03 115.29 119.03 2kk6 s HIS 6 Ca -0.04 -0.56 -0.31 0.00 -1.54 0.00 0.00 55.06 52.61 2kk6 s HIS 6 Cb -0.07 -4.05 -0.13 0.00 0.04 0.00 0.00 32.58 28.37 2kk6 s HIS 6 CO -0.01 -1.40 1.46 1.58 -2.34 0.00 0.00 174.74 174.03 2kk6 n HIS 7 N 7.06 2.38 -2.83 3.88 -0.00 -1.26 -3.12 115.22 121.32 2kk6 n HIS 7 Ca -0.05 0.38 -0.11 0.00 -0.00 0.00 0.00 57.72 57.95 2kk6 n HIS 7 Cb 0.45 -2.50 0.05 0.00 -0.00 0.00 0.00 29.99 27.99 2kk6 n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kk6 n HIS 8 N 1.92 -1.56 -3.62 1.57 -0.00 -1.26 -5.05 115.22 107.22 2kk6 n HIS 8 Ca 0.10 0.61 -0.05 0.00 -0.00 0.00 0.00 57.72 58.38 2kk6 n HIS 8 Cb 0.33 -3.86 -0.05 0.00 -0.00 0.00 0.00 29.99 26.42 2kk6 n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kk6 s SER 9 N -3.62 -0.14 -0.18 0.26 0.15 -1.18 -5.05 113.70 103.94 2kk6 s SER 9 Ca 0.14 0.16 0.21 0.00 0.70 0.00 0.00 55.95 57.16 2kk6 s SER 9 Cb -0.02 0.12 0.44 0.00 -1.71 0.00 0.00 66.02 64.85 2kk6 s SER 9 CO 0.49 -0.13 1.18 0.00 1.20 0.00 0.00 173.24 175.98 2kk6 n HIS 10 N 0.62 0.38 -3.48 3.44 -0.00 -1.26 -4.85 115.22 110.06 2kk6 n HIS 10 Ca -0.04 -1.51 -0.37 0.00 -0.00 0.00 0.00 57.72 55.81 2kk6 n HIS 10 Cb 0.59 0.08 -0.07 0.00 -0.00 0.00 0.00 29.99 30.59 2kk6 n HIS 10 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2kk6 s MET 11 N -1.96 4.28 0.17 -1.40 1.00 -1.26 -5.10 119.30 115.04 2kk6 s MET 11 Ca 0.25 0.18 0.08 0.00 0.00 0.00 0.00 55.69 56.20 2kk6 s MET 11 Cb 0.33 -3.43 -0.04 0.00 0.00 0.00 0.00 34.83 31.69 2kk6 s MET 11 CO -0.09 0.21 -0.07 0.15 0.00 0.00 0.00 175.02 175.22 2kk6 s LYS 12 N 0.52 2.14 0.72 2.03 1.02 -1.26 -5.13 119.74 119.79 2kk6 s LYS 12 Ca 0.19 -1.21 -0.14 0.00 0.02 0.00 0.00 55.97 54.83 2kk6 s LYS 12 Cb -0.13 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 34.99 2kk6 s LYS 12 CO 0.05 0.45 1.14 -1.25 -0.92 0.00 0.00 175.35 174.82 2kk6 s PRO 13 N -2.79 2.34 0.25 -1.68 0.04 -1.26 -4.88 135.00 127.02 2kk6 s PRO 13 Ca 0.25 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2kk6 s PRO 13 Cb -0.09 -1.89 0.47 0.00 0.04 0.00 0.00 34.50 33.03 2kk6 s PRO 13 CO 0.16 -1.62 1.77 1.25 0.04 0.00 0.00 177.00 178.60 2kk6 h LEU 14 N -0.44 0.54 -2.16 -3.56 5.85 -2.00 -0.46 115.31 113.08 2kk6 h LEU 14 Ca -0.46 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.39 2kk6 h LEU 14 Cb 1.26 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2kk6 h LEU 14 CO 0.51 0.26 0.15 0.00 -0.34 0.00 0.00 178.44 179.02 2kk6 h ALA 15 N 1.51 1.95 -0.16 1.25 0.00 -1.95 -1.70 119.26 120.16 2kk6 h ALA 15 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2kk6 h ALA 15 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kk6 h ALA 15 CO -0.32 -0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.08 2kk6 n GLU 16 N -4.12 2.24 -2.15 0.00 -0.58 -0.20 -4.92 120.64 110.91 2kk6 n GLU 16 Ca 0.01 -1.84 -0.42 0.00 -0.42 0.00 0.00 57.16 54.49 2kk6 n GLU 16 Cb 0.28 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.82 4.28 0.34 3.49 -1.52 -0.64 -4.91 119.66 118.88 2kk6 s GLN 17 Ca 0.33 2.08 0.05 0.00 -1.95 0.00 0.00 55.36 55.87 2kk6 s GLN 17 Cb 0.21 -3.43 0.70 0.00 -0.22 0.00 0.00 33.01 30.26 2kk6 s GLN 17 CO 0.31 -0.55 1.92 0.38 -0.25 0.00 0.00 175.29 177.10 2kk6 h ASP 18 N 7.47 0.74 1.23 5.90 2.03 -1.92 0.19 116.42 132.06 2kk6 h ASP 18 Ca -0.40 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 2kk6 h ASP 18 Cb 1.20 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 2kk6 h ASP 18 CO 0.89 0.45 0.00 -2.67 -1.03 0.00 0.00 179.24 176.88 2kk6 n TRP 19 N -4.51 0.61 -2.83 4.15 4.27 -1.26 0.04 117.44 117.92 2kk6 n TRP 19 Ca 0.14 0.18 -0.43 0.00 -3.89 0.00 0.00 57.50 53.50 2kk6 n TRP 19 Cb 0.29 -0.80 -0.04 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 -3.08 2.80 -1.14 -2.67 5.04 0.06 -0.43 117.35 117.92 2kk6 s TYR 20 Ca 0.11 0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 54.74 2kk6 s TYR 20 Cb 0.14 -4.08 0.26 0.00 0.35 0.00 0.00 41.96 38.63 2kk6 s TYR 20 CO 0.55 -1.33 1.81 0.72 -1.34 0.00 0.00 175.55 175.95 2kk6 n HIS 21 N 7.47 2.56 -3.46 4.97 8.25 -0.08 -4.71 115.22 130.22 2kk6 n HIS 21 Ca 0.02 -2.64 -0.17 0.00 -0.26 0.00 0.00 57.72 54.67 2kk6 n HIS 21 Cb 0.48 -1.45 -0.05 0.00 1.12 0.00 0.00 29.99 30.08 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 1.23 -0.07 2.94 -1.41 0.00 -1.26 -1.02 105.19 105.59 2kk6 n GLY 22 Ca 0.41 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.90 -0.92 -1.00 4.61 0.00 -1.26 -4.88 120.51 114.14 2kk6 n ALA 23 Ca -0.16 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.20 2kk6 n ALA 23 Cb 0.37 -3.38 0.13 0.00 0.00 0.00 0.00 19.45 16.57 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 -3.10 2.57 0.73 0.00 -4.36 -0.19 -4.70 121.20 112.14 2kk6 s ILE 24 Ca 0.25 0.20 -0.16 0.00 -0.26 0.00 0.00 60.65 60.69 2kk6 s ILE 24 Cb -0.12 -2.47 0.04 0.00 1.25 0.00 0.00 42.46 41.16 2kk6 s ILE 24 CO 0.31 -0.23 1.24 -2.84 0.24 0.00 0.00 174.94 173.67 2kk6 s PRO 25 N -4.62 2.11 0.23 0.37 0.02 -1.26 -4.78 135.00 127.08 2kk6 s PRO 25 Ca 0.66 1.88 -0.06 0.00 0.02 0.00 0.00 61.00 63.49 2kk6 s PRO 25 Cb -0.22 -1.82 0.37 0.00 0.02 0.00 0.00 34.50 32.86 2kk6 s PRO 25 CO 0.55 -1.88 1.76 -0.09 -0.33 0.00 0.00 177.00 177.01 2kk6 h ARG 26 N -0.19 0.53 0.40 5.54 2.43 -1.95 -1.82 114.38 119.33 2kk6 h ARG 26 Ca -0.48 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2kk6 h ARG 26 Cb 1.31 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2kk6 h ARG 26 CO 0.50 0.35 -0.38 0.82 -1.51 0.00 0.00 179.97 179.75 2kk6 h ILE 27 N 0.55 0.23 -0.87 1.20 2.04 -2.00 -2.33 117.51 116.33 2kk6 h ILE 27 Ca 0.37 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.42 2kk6 h ILE 27 Cb 0.44 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 2kk6 h ILE 27 CO -0.31 0.00 0.58 -0.33 0.00 0.00 0.00 178.15 178.09 2kk6 h GLU 28 N -0.80 0.38 -0.23 2.37 4.39 -1.83 0.40 114.58 119.27 2kk6 h GLU 28 Ca -0.03 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2kk6 h GLU 28 Cb 0.70 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2kk6 h GLU 28 CO -0.05 0.25 0.12 0.00 -1.16 0.00 0.00 179.01 178.18 2kk6 h ALA 29 N 1.62 0.29 0.00 3.43 0.00 -0.82 -2.94 119.26 120.84 2kk6 h ALA 29 Ca 0.44 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 2kk6 h ALA 29 Cb 1.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2kk6 h ALA 29 CO -0.16 -0.18 -0.64 -0.56 0.00 0.00 0.00 179.25 177.72 2kk6 h GLN 30 N 0.26 0.00 0.00 0.00 3.07 -0.76 -3.22 115.11 114.45 2kk6 h GLN 30 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.81 2kk6 h GLN 30 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.63 2kk6 h GLN 30 CO -0.01 0.64 -0.05 0.93 0.09 0.00 0.00 178.83 180.43 2kk6 h GLU 31 N 0.00 0.00 -0.33 0.06 4.39 -0.80 -1.61 114.58 116.29 2kk6 h GLU 31 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2kk6 h GLU 31 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2kk6 h GLU 31 CO 0.08 0.05 0.00 1.47 -1.16 0.00 0.00 179.01 179.45 2kk6 n LEU 32 N -4.13 2.96 -4.48 1.33 -0.00 -1.16 -4.84 117.00 106.69 2kk6 n LEU 32 Ca -0.03 -1.26 -0.43 0.00 -0.00 0.00 0.00 56.01 54.29 2kk6 n LEU 32 Cb 0.13 -0.21 -0.10 0.00 -0.00 0.00 0.00 43.42 43.25 2kk6 n LEU 32 CO 0.31 0.63 -0.05 -0.76 -0.00 0.00 0.00 177.39 177.52 2kk6 s LEU 33 N -1.51 4.98 0.00 1.47 1.43 -0.61 -4.89 118.68 119.56 2kk6 s LEU 33 Ca 0.37 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2kk6 s LEU 33 Cb 0.21 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2kk6 s LEU 33 CO 0.30 -0.43 0.00 2.29 0.23 0.00 0.00 176.35 178.74 2kk6 n LYS 34 N 5.21 3.34 -3.94 1.70 0.00 -1.26 -4.99 118.16 118.22 2kk6 n LYS 34 Ca -0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.11 2kk6 n LYS 34 Cb 0.47 -0.48 -0.10 0.00 -0.00 0.00 0.00 35.03 34.92 2kk6 n LYS 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2kk6 s LYS 35 N -0.57 0.47 -0.41 -1.58 -2.85 -1.26 -5.09 119.74 108.45 2kk6 s LYS 35 Ca 0.00 -0.64 -0.35 0.00 -1.00 0.00 0.00 55.97 53.98 2kk6 s LYS 35 Cb 0.00 0.18 -0.12 0.00 -2.06 0.00 0.00 37.83 35.83 2kk6 s LYS 35 CO 0.00 -0.10 2.23 0.94 0.10 0.00 0.00 175.35 178.52 2kk6 n GLN 36 N 1.18 0.93 0.00 1.78 -0.06 -1.26 -1.99 117.38 117.95 2kk6 n GLN 36 Ca -0.21 0.23 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 2kk6 n GLN 36 Cb 0.57 -2.39 0.00 0.00 -4.06 0.00 0.00 30.24 24.35 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 6.59 0.79 3.67 1.69 0.00 -0.30 -4.99 105.19 112.63 2kk6 n GLY 37 Ca 0.44 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.96 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 3.23 -4.07 1.61 8.00 -0.84 -3.79 116.55 120.69 2kk6 n ASP 38 Ca 0.00 0.91 -0.12 0.00 0.71 0.00 0.00 54.79 56.29 2kk6 n ASP 38 Cb 0.00 -1.34 -0.11 0.00 -0.02 0.00 0.00 41.12 39.65 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 4.44 0.65 -0.02 1.24 -0.71 -1.26 -0.37 117.98 121.96 2kk6 s PHE 39 Ca 0.95 -0.56 -0.25 0.00 -1.04 0.00 0.00 56.93 56.03 2kk6 s PHE 39 Cb -0.74 -0.39 0.05 0.00 -1.21 0.00 0.00 43.02 40.73 2kk6 s PHE 39 CO 0.53 -0.11 0.55 -0.48 -1.34 0.00 0.00 175.22 174.37 2kk6 s LEU 40 N -1.76 -0.15 -0.16 -1.99 2.34 -0.26 -3.70 118.68 113.00 2kk6 s LEU 40 Ca -0.08 0.45 -0.03 0.00 0.06 0.00 0.00 54.13 54.53 2kk6 s LEU 40 Cb -0.08 2.12 -0.03 0.00 -0.56 0.00 0.00 46.19 47.65 2kk6 s LEU 40 CO -0.01 -0.58 -0.05 -0.69 -1.06 0.00 0.00 176.35 173.96 2kk6 s VAL 41 N -1.44 3.78 0.11 1.48 1.01 0.43 -0.88 120.40 124.89 2kk6 s VAL 41 Ca -0.11 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2kk6 s VAL 41 Cb -0.02 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2kk6 s VAL 41 CO 0.06 0.49 -0.17 0.00 0.00 0.00 0.00 175.10 175.49 2kk6 s ARG 42 N 0.43 1.05 0.26 2.72 1.70 -0.80 -0.90 118.95 123.41 2kk6 s ARG 42 Ca -0.04 -1.17 -0.14 0.00 -0.47 0.00 0.00 55.73 53.91 2kk6 s ARG 42 Cb -0.14 -1.11 -0.08 0.00 -0.57 0.00 0.00 34.95 33.04 2kk6 s ARG 42 CO 0.03 0.24 0.66 -2.00 -1.08 0.00 0.00 175.30 173.15 2kk6 s GLU 43 N -2.21 3.97 0.03 3.89 2.12 -1.26 -0.72 118.70 124.52 2kk6 s GLU 43 Ca 0.06 0.55 -0.29 0.00 0.36 0.00 0.00 54.97 55.65 2kk6 s GLU 43 Cb -0.08 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 2kk6 s GLU 43 CO 0.04 0.27 0.94 0.45 -0.54 0.00 0.00 175.26 176.42 2kk6 s SER 44 N -2.17 7.37 0.04 -1.70 0.15 0.10 -4.39 113.70 113.11 2kk6 s SER 44 Ca 0.49 1.65 -0.23 0.00 0.70 0.00 0.00 55.95 58.56 2kk6 s SER 44 Cb -0.12 -2.56 -0.16 0.00 -1.71 0.00 0.00 66.02 61.48 2kk6 s SER 44 CO 0.19 -0.17 1.47 0.45 1.20 0.00 0.00 173.24 176.38 2kk6 h HIS 45 N 6.35 0.12 -0.27 3.44 -0.00 -1.90 -3.21 115.15 119.68 2kk6 h HIS 45 Ca -0.42 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 59.90 2kk6 h HIS 45 Cb 1.21 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.58 2kk6 h HIS 45 CO 0.67 0.38 0.01 0.78 -0.00 0.00 0.00 177.93 179.77 2kk6 h GLY 46 N -0.17 0.43 -7.32 2.45 0.00 -1.99 -3.38 103.07 93.09 2kk6 h GLY 46 Ca 0.02 -0.23 -0.59 0.00 0.00 0.00 0.00 47.33 46.53 2kk6 h GLY 46 CO 0.00 0.22 -0.76 1.25 0.00 0.00 0.00 176.54 177.25 2kk6 s LYS 47 N -5.00 0.96 0.20 4.80 2.20 -1.21 -5.12 119.74 116.57 2kk6 s LYS 47 Ca -0.07 -1.09 -0.32 0.00 -0.36 0.00 0.00 55.97 54.13 2kk6 s LYS 47 Cb 0.16 -2.27 -0.11 0.00 -1.51 0.00 0.00 37.83 34.10 2kk6 s LYS 47 CO 0.74 -0.88 1.65 -1.25 -0.36 0.00 0.00 175.35 175.26 2kk6 s PRO 48 N 1.51 4.16 0.00 4.03 0.04 -1.24 -1.95 135.00 141.55 2kk6 s PRO 48 Ca 0.06 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2kk6 s PRO 48 Cb -0.18 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2kk6 s PRO 48 CO -0.18 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2kk6 n GLY 49 N 3.69 1.79 3.49 0.56 0.00 -1.26 -5.02 105.19 108.44 2kk6 n GLY 49 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.83 3.17 -0.20 1.61 2.12 -0.82 -4.97 118.70 118.78 2kk6 s GLU 50 Ca 0.00 -0.65 -0.15 0.00 0.36 0.00 0.00 54.97 54.54 2kk6 s GLU 50 Cb 0.00 -4.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.08 2kk6 s GLU 50 CO 0.00 -1.96 0.35 0.71 -0.54 0.00 0.00 175.26 173.82 2kk6 s TYR 51 N 4.69 3.38 -0.15 5.30 1.51 -1.26 0.03 117.35 130.85 2kk6 s TYR 51 Ca 0.28 0.56 0.00 0.00 -1.01 0.00 0.00 57.07 56.90 2kk6 s TYR 51 Cb -0.13 -2.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 2kk6 s TYR 51 CO 0.11 0.04 -0.15 0.08 -1.11 0.00 0.00 175.55 174.51 2kk6 s VAL 52 N 1.15 2.74 -0.37 0.71 1.01 0.11 -0.91 120.40 124.84 2kk6 s VAL 52 Ca 0.17 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 2kk6 s VAL 52 Cb -0.14 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2kk6 s VAL 52 CO 0.07 0.52 0.79 -0.22 0.00 0.00 0.00 175.10 176.26 2kk6 s LEU 53 N 0.66 4.13 -0.20 3.92 2.96 0.11 -1.91 118.68 128.36 2kk6 s LEU 53 Ca -0.08 0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2kk6 s LEU 53 Cb -0.16 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2kk6 s LEU 53 CO 0.02 -0.75 0.00 -0.94 -1.32 0.00 0.00 176.35 173.36 2kk6 s SER 54 N 1.87 4.86 -0.02 3.68 1.04 -0.06 -0.91 113.70 124.16 2kk6 s SER 54 Ca 0.31 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 2kk6 s SER 54 Cb -0.13 -1.83 0.01 0.00 0.10 0.00 0.00 66.02 64.17 2kk6 s SER 54 CO 0.17 0.08 0.05 0.54 0.98 0.00 0.00 173.24 175.06 2kk6 s VAL 55 N 0.93 -0.00 -0.52 5.02 0.11 -0.83 -1.11 120.40 124.00 2kk6 s VAL 55 Ca 0.01 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.79 2kk6 s VAL 55 Cb -0.14 -0.08 0.03 0.00 -1.53 0.00 0.00 36.38 34.66 2kk6 s VAL 55 CO 0.02 0.00 1.10 -0.47 -3.33 0.00 0.00 175.10 172.42 2kk6 s TYR 56 N 0.06 2.76 -0.14 1.54 6.14 0.51 -0.12 117.35 128.11 2kk6 s TYR 56 Ca -0.00 0.49 -0.00 0.00 0.64 0.00 0.00 57.07 58.20 2kk6 s TYR 56 Cb -0.01 -4.36 0.03 0.00 0.42 0.00 0.00 41.96 38.05 2kk6 s TYR 56 CO -0.00 -1.35 -0.07 0.45 0.64 0.00 0.00 175.55 175.21 2kk6 s SER 57 N 2.63 2.47 -1.46 4.32 0.15 0.15 -1.15 113.70 120.80 2kk6 s SER 57 Ca 0.43 -0.45 -0.09 0.00 0.70 0.00 0.00 55.95 56.54 2kk6 s SER 57 Cb -0.08 -0.90 0.04 0.00 -1.71 0.00 0.00 66.02 63.37 2kk6 s SER 57 CO 0.28 -0.14 0.78 0.47 1.20 0.00 0.00 173.24 175.83 2kk6 n ASP 58 N 4.90 -5.36 0.00 5.45 9.92 -1.26 -0.93 116.55 129.27 2kk6 n ASP 58 Ca -0.13 -0.47 0.00 0.00 -0.53 0.00 0.00 54.79 53.66 2kk6 n ASP 58 Cb 0.49 -4.31 0.00 0.00 -0.64 0.00 0.00 41.12 36.66 2kk6 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kk6 n GLY 59 N -1.58 3.19 3.78 0.44 0.00 -1.26 -5.03 105.19 104.74 2kk6 n GLY 59 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.47 4.03 -0.64 1.61 -0.21 -0.10 -5.04 119.66 118.84 2kk6 s GLN 60 Ca 0.00 0.13 -0.28 0.00 0.02 0.00 0.00 55.36 55.24 2kk6 s GLN 60 Cb 0.00 -3.34 0.02 0.00 1.00 0.00 0.00 33.01 30.70 2kk6 s GLN 60 CO 0.00 0.44 1.35 1.03 -2.12 0.00 0.00 175.29 175.99 2kk6 s ARG 61 N -0.16 3.26 0.45 2.91 3.00 -1.26 -0.68 118.95 126.47 2kk6 s ARG 61 Ca 0.18 0.16 -0.21 0.00 0.00 0.00 0.00 55.73 55.86 2kk6 s ARG 61 Cb -0.14 -4.14 -0.09 0.00 0.00 0.00 0.00 34.95 30.58 2kk6 s ARG 61 CO 0.06 -2.02 1.02 1.03 0.00 0.00 0.00 175.30 175.39 2kk6 s ARG 62 N 5.59 4.01 -0.10 3.54 1.81 0.83 -4.87 118.95 129.75 2kk6 s ARG 62 Ca 0.45 1.34 -0.02 0.00 -1.72 0.00 0.00 55.73 55.78 2kk6 s ARG 62 Cb -0.09 -2.24 0.04 0.00 -0.45 0.00 0.00 34.95 32.21 2kk6 s ARG 62 CO 0.21 -0.25 0.02 -1.01 -0.68 0.00 0.00 175.30 173.59 2kk6 s HIS 63 N -1.94 0.61 -0.10 -0.53 3.76 -1.26 -1.97 115.29 113.86 2kk6 s HIS 63 Ca 0.63 -0.24 0.03 0.00 -0.15 0.00 0.00 55.06 55.33 2kk6 s HIS 63 Cb -0.16 -0.79 0.00 0.00 1.11 0.00 0.00 32.58 32.74 2kk6 s HIS 63 CO 0.20 -0.37 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.44 2kk6 s PHE 64 N 1.99 2.38 -0.02 1.40 0.08 -0.09 -4.95 117.98 118.77 2kk6 s PHE 64 Ca 0.04 -1.02 -0.18 0.00 0.12 0.00 0.00 56.93 55.89 2kk6 s PHE 64 Cb -0.13 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 2kk6 s PHE 64 CO -0.06 -0.44 0.52 0.42 -0.10 0.00 0.00 175.22 175.57 2kk6 s ILE 65 N 0.51 4.97 -0.40 0.64 1.01 -1.26 0.06 121.20 126.73 2kk6 s ILE 65 Ca -0.16 1.08 -0.22 0.00 0.00 0.00 0.00 60.65 61.36 2kk6 s ILE 65 Cb -0.17 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.46 2kk6 s ILE 65 CO 0.06 0.46 0.70 -0.63 0.00 0.00 0.00 174.94 175.53 2kk6 s ILE 66 N -0.36 4.79 0.08 2.92 1.01 -0.08 -4.68 121.20 124.87 2kk6 s ILE 66 Ca 0.28 0.52 -0.18 0.00 0.00 0.00 0.00 60.65 61.27 2kk6 s ILE 66 Cb -0.17 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 2kk6 s ILE 66 CO 0.15 -0.49 0.55 -1.10 0.00 0.00 0.00 174.94 174.05 2kk6 s GLN 67 N 2.95 4.14 -0.62 2.79 1.11 -0.50 -4.54 119.66 124.99 2kk6 s GLN 67 Ca 0.27 0.67 -0.16 0.00 0.01 0.00 0.00 55.36 56.15 2kk6 s GLN 67 Cb -0.14 -3.19 0.15 0.00 -1.01 0.00 0.00 33.01 28.83 2kk6 s GLN 67 CO 0.18 0.62 0.59 -0.47 0.01 0.00 0.00 175.29 176.22 2kk6 s TYR 68 N -1.16 3.37 -0.02 0.91 5.04 -1.26 -1.54 117.35 122.69 2kk6 s TYR 68 Ca 0.30 -1.46 0.04 0.00 -2.44 0.00 0.00 57.07 53.50 2kk6 s TYR 68 Cb -0.19 -3.82 -0.00 0.00 0.35 0.00 0.00 41.96 38.30 2kk6 s TYR 68 CO 0.18 -1.03 -0.13 0.08 -1.34 0.00 0.00 175.55 173.31 2kk6 s VAL 69 N 1.28 1.08 -1.40 3.14 1.01 -0.49 -4.74 120.40 120.27 2kk6 s VAL 69 Ca 0.08 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 2kk6 s VAL 69 Cb -0.24 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.27 2kk6 s VAL 69 CO -0.00 0.31 0.61 0.47 0.00 0.00 0.00 175.10 176.49 2kk6 n ASP 70 N 3.03 -4.56 -0.53 3.32 8.00 -1.26 -0.72 116.55 123.82 2kk6 n ASP 70 Ca -0.17 -0.43 -0.07 0.00 0.71 0.00 0.00 54.79 54.83 2kk6 n ASP 70 Cb 0.54 -3.72 -0.03 0.00 -0.02 0.00 0.00 41.12 37.89 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 -2.45 -5.24 -4.33 -2.24 3.02 -1.26 -4.98 115.26 97.78 2kk6 n ASN 71 Ca -0.03 0.17 -0.31 0.00 -0.03 0.00 0.00 54.58 54.38 2kk6 n ASN 71 Cb 0.56 -3.35 -0.16 0.00 -0.61 0.00 0.00 39.78 36.22 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 -2.36 2.15 -0.13 3.52 -1.94 0.10 -4.56 119.30 116.08 2kk6 s MET 72 Ca 0.00 -0.91 -0.24 0.00 -1.71 0.00 0.00 55.69 52.83 2kk6 s MET 72 Cb 0.00 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 2kk6 s MET 72 CO 0.00 0.57 0.77 0.71 -0.01 0.00 0.00 175.02 177.06 2kk6 s TYR 73 N -0.63 3.48 0.03 -0.03 2.02 0.10 -1.40 117.35 120.91 2kk6 s TYR 73 Ca 0.10 1.23 -0.05 0.00 -0.37 0.00 0.00 57.07 57.99 2kk6 s TYR 73 Cb -0.10 -2.92 -0.01 0.00 -0.40 0.00 0.00 41.96 38.52 2kk6 s TYR 73 CO -0.01 -0.11 0.08 -0.98 -1.57 0.00 0.00 175.55 172.95 2kk6 s ARG 74 N 1.62 0.51 -0.08 -0.62 1.70 -0.59 -2.00 118.95 119.49 2kk6 s ARG 74 Ca 0.37 -0.67 -0.09 0.00 -0.47 0.00 0.00 55.73 54.87 2kk6 s ARG 74 Cb -0.17 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.38 2kk6 s ARG 74 CO 0.15 -0.12 -0.18 1.19 -1.08 0.00 0.00 175.30 175.25 2kk6 n PHE 75 N 1.05 0.00 0.00 5.89 3.72 -1.26 -1.41 117.46 125.45 2kk6 n PHE 75 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2kk6 n PHE 75 Cb 0.57 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 -3.64 0.00 0.00 -1.08 -0.58 -1.26 -4.92 120.64 109.16 2kk6 n GLU 76 Ca -0.07 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2kk6 n GLU 76 Cb 0.27 -0.14 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kk6 n GLY 77 N 2.43 0.00 3.56 0.62 0.00 -1.26 -5.01 105.19 105.53 2kk6 n GLY 77 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.18 3.16 0.28 2.61 2.01 -1.26 -4.93 115.64 116.32 2kk6 s THR 78 Ca 0.00 -0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.00 2kk6 s THR 78 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2kk6 s THR 78 CO 0.00 -0.34 0.03 -0.83 -0.69 0.00 0.00 174.62 172.79 2kk6 s GLY 79 N 10.07 1.68 0.09 4.40 0.00 -1.26 -4.60 107.32 117.70 2kk6 s GLY 79 Ca 0.85 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.94 2kk6 s GLY 79 CO 0.09 -1.71 -0.10 -1.36 0.00 0.00 0.00 173.10 170.02 2kk6 s PHE 80 N -2.33 1.03 0.58 1.90 0.40 -0.85 -4.87 117.98 113.84 2kk6 s PHE 80 Ca 0.32 -0.63 0.29 0.00 -0.60 0.00 0.00 56.93 56.31 2kk6 s PHE 80 Cb -0.06 -0.57 1.78 0.00 0.51 0.00 0.00 43.02 44.68 2kk6 s PHE 80 CO 0.21 -0.01 2.24 1.03 0.70 0.00 0.00 175.22 179.39 2kk6 h SER 81 N 3.70 0.00 -3.93 1.36 0.87 -1.90 0.31 113.55 113.97 2kk6 h SER 81 Ca -0.37 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.70 2kk6 h SER 81 Cb 1.19 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.84 2kk6 h SER 81 CO 0.51 0.01 -0.81 0.20 -0.53 0.00 0.00 176.83 176.21 2kk6 s ASN 82 N -6.19 1.63 0.18 6.23 0.01 -1.26 -4.73 114.94 110.81 2kk6 s ASN 82 Ca -0.05 -0.26 -0.13 0.00 -0.71 0.00 0.00 52.86 51.71 2kk6 s ASN 82 Cb 0.15 -0.39 0.16 0.00 0.41 0.00 0.00 41.25 41.59 2kk6 s ASN 82 CO 0.55 0.12 1.73 0.40 -1.51 0.00 0.00 177.10 178.39 2kk6 h ILE 83 N 5.21 0.78 -0.99 0.60 2.04 -1.93 -0.86 117.51 122.36 2kk6 h ILE 83 Ca -0.33 -0.09 0.20 0.00 1.00 0.00 0.00 64.86 65.63 2kk6 h ILE 83 Cb 1.17 0.48 -0.10 0.00 -0.74 0.00 0.00 36.82 37.64 2kk6 h ILE 83 CO 0.48 0.05 0.62 -0.65 0.00 0.00 0.00 178.15 178.65 2kk6 h PRO 84 N 0.27 0.65 -0.10 2.37 0.11 -1.96 -1.56 132.00 131.78 2kk6 h PRO 84 Ca 0.23 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.09 2kk6 h PRO 84 Cb 0.28 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.25 2kk6 h PRO 84 CO -0.28 0.43 -0.80 1.96 -0.21 0.00 0.00 178.00 179.11 2kk6 h GLN 85 N 0.67 0.62 -0.14 1.05 1.08 -1.73 0.15 115.11 116.81 2kk6 h GLN 85 Ca 0.56 -0.53 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 2kk6 h GLN 85 Cb 0.99 0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 28.48 2kk6 h GLN 85 CO -0.33 1.15 -0.26 1.25 -0.95 0.00 0.00 178.83 179.68 2kk6 h LEU 86 N 0.41 -0.82 -0.24 1.46 5.85 -0.23 0.54 115.31 122.28 2kk6 h LEU 86 Ca -0.05 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2kk6 h LEU 86 Cb 1.41 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2kk6 h LEU 86 CO 0.15 -0.31 -0.07 0.40 -0.34 0.00 0.00 178.44 178.27 2kk6 h ILE 87 N -0.33 1.29 -0.24 4.05 1.08 -1.41 -2.89 117.51 119.05 2kk6 h ILE 87 Ca 0.10 -1.08 0.06 0.00 -0.39 0.00 0.00 64.86 63.55 2kk6 h ILE 87 Cb 0.48 1.50 -0.07 0.00 -3.07 0.00 0.00 36.82 35.66 2kk6 h ILE 87 CO -0.33 0.34 -0.26 -0.78 -0.69 0.00 0.00 178.15 176.43 2kk6 h ASP 88 N 0.21 -0.85 -0.52 1.72 1.82 -0.40 0.53 116.42 118.93 2kk6 h ASP 88 Ca 0.06 0.15 -0.11 0.00 -0.39 0.00 0.00 57.03 56.73 2kk6 h ASP 88 Cb 0.54 0.39 -0.02 0.00 0.68 0.00 0.00 39.33 40.92 2kk6 h ASP 88 CO 0.03 -0.30 -0.12 0.45 -1.61 0.00 0.00 179.24 177.69 2kk6 h HIS 89 N -0.28 1.13 -0.01 0.28 3.86 -0.97 0.49 115.15 119.66 2kk6 h HIS 89 Ca 0.13 -0.24 -0.13 0.00 -1.16 0.00 0.00 60.37 58.97 2kk6 h HIS 89 Cb 0.48 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 2kk6 h HIS 89 CO -0.41 1.06 -0.61 0.45 0.86 0.00 0.00 177.93 179.27 2kk6 h HIS 90 N 0.87 0.03 0.17 2.45 3.86 -1.26 -2.61 115.15 118.66 2kk6 h HIS 90 Ca 0.13 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2kk6 h HIS 90 Cb 0.69 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 2kk6 h HIS 90 CO 0.05 0.63 -0.08 -0.92 0.86 0.00 0.00 177.93 178.46 2kk6 h TYR 91 N 0.01 -0.22 -0.48 2.45 3.20 0.32 -1.38 116.97 120.88 2kk6 h TYR 91 Ca -0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2kk6 h TYR 91 Cb 1.09 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 2kk6 h TYR 91 CO 0.00 0.20 0.31 1.79 -1.64 0.00 0.00 178.16 178.83 2kk6 h THR 92 N -0.87 1.11 0.00 1.81 1.35 -0.99 -1.46 112.91 113.86 2kk6 h THR 92 Ca -0.02 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 2kk6 h THR 92 Cb 0.52 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 2kk6 h THR 92 CO 0.04 0.12 -0.07 0.71 -0.25 0.00 0.00 175.52 176.07 2kk6 h THR 93 N 0.63 0.17 -2.21 6.82 1.35 -1.59 -3.47 112.91 114.61 2kk6 h THR 93 Ca 0.18 -0.73 -0.24 0.00 -0.55 0.00 0.00 66.41 65.07 2kk6 h THR 93 Cb -0.06 1.62 0.01 0.00 -1.73 0.00 0.00 68.15 67.99 2kk6 h THR 93 CO -0.05 0.07 -0.33 1.17 -0.25 0.00 0.00 175.52 176.13 2kk6 n LYS 94 N -3.19 -1.82 -2.73 4.72 3.00 -0.55 -5.02 118.16 112.58 2kk6 n LYS 94 Ca 0.01 0.56 -0.22 0.00 -0.00 0.00 0.00 58.31 58.66 2kk6 n LYS 94 Cb 0.36 -4.69 0.09 0.00 0.00 0.00 0.00 35.03 30.78 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 -4.88 1.92 0.53 1.64 -1.52 -0.75 -4.81 119.66 111.79 2kk6 s GLN 95 Ca 0.08 -1.25 -0.10 0.00 -1.95 0.00 0.00 55.36 52.14 2kk6 s GLN 95 Cb -0.03 -2.44 -0.05 0.00 -0.22 0.00 0.00 33.01 30.27 2kk6 s GLN 95 CO 0.10 -1.22 0.92 0.14 -0.25 0.00 0.00 175.29 174.97 2kk6 s VAL 96 N -2.97 4.74 0.00 1.09 -7.23 -1.26 -4.02 120.40 110.75 2kk6 s VAL 96 Ca 0.64 0.72 0.00 0.00 -1.81 0.00 0.00 61.98 61.53 2kk6 s VAL 96 Cb -0.06 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.06 2kk6 s VAL 96 CO 0.42 -0.89 0.11 -0.38 -0.31 0.00 0.00 175.10 174.05 2kk6 n ILE 97 N -2.18 0.00 -4.80 -0.62 2.08 -0.02 -4.92 119.36 108.91 2kk6 n ILE 97 Ca 0.04 0.56 -0.33 0.00 0.56 0.00 0.00 62.75 63.59 2kk6 n ILE 97 Cb 0.54 -1.48 -0.14 0.00 -0.75 0.00 0.00 39.64 37.82 2kk6 n ILE 97 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2kk6 s THR 98 N -1.12 3.13 0.04 1.39 -4.23 -1.26 -4.79 115.64 108.80 2kk6 s THR 98 Ca 0.00 -0.66 0.31 0.00 -1.18 0.00 0.00 61.69 60.15 2kk6 s THR 98 Cb 0.00 -2.28 0.32 0.00 1.34 0.00 0.00 72.50 71.88 2kk6 s THR 98 CO 0.00 0.56 1.93 0.11 -0.54 0.00 0.00 174.62 176.68 2kk6 h LYS 99 N 6.05 0.00 -0.01 3.99 1.79 -1.99 0.91 116.57 127.31 2kk6 h LYS 99 Ca -0.36 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 57.89 2kk6 h LYS 99 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2kk6 h LYS 99 CO 0.53 0.00 -0.91 0.87 -1.08 0.00 0.00 179.45 178.87 2kk6 h LYS 100 N 0.00 0.41 0.00 3.15 6.56 -2.03 -3.39 116.57 121.28 2kk6 h LYS 100 Ca 0.00 -0.42 -0.42 0.00 -1.06 0.00 0.00 60.65 58.75 2kk6 h LYS 100 Cb 0.17 0.12 -0.06 0.00 -0.57 0.00 0.00 32.23 31.88 2kk6 h LYS 100 CO 0.00 1.08 -2.38 0.43 -2.06 0.00 0.00 179.45 176.52 2kk6 n SER 101 N -3.76 1.96 -0.44 0.86 7.64 -0.78 -5.05 113.62 114.05 2kk6 n SER 101 Ca -0.06 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2kk6 n SER 101 Cb 0.82 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.52 0.95 3.73 0.23 0.00 0.25 -5.05 105.19 106.82 2kk6 n GLY 102 Ca -0.50 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.89 5.27 0.08 1.61 1.01 -1.26 -4.92 120.40 119.29 2kk6 s VAL 103 Ca 0.00 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.66 2kk6 s VAL 103 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2kk6 s VAL 103 CO 0.00 0.39 0.04 -0.69 0.00 0.00 0.00 175.10 174.84 2kk6 s VAL 104 N 0.42 4.31 -0.38 2.92 1.01 -1.26 -0.84 120.40 126.57 2kk6 s VAL 104 Ca 0.19 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 2kk6 s VAL 104 Cb -0.14 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2kk6 s VAL 104 CO 0.06 0.15 0.47 -0.76 0.00 0.00 0.00 175.10 175.01 2kk6 s LEU 105 N -2.28 4.57 0.19 3.92 1.43 -1.26 -4.77 118.68 120.48 2kk6 s LEU 105 Ca 0.27 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2kk6 s LEU 105 Cb -0.12 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 2kk6 s LEU 105 CO 0.20 -0.52 0.17 -1.48 0.23 0.00 0.00 176.35 174.94 2kk6 s LEU 106 N 2.26 1.18 -0.26 1.79 2.34 -1.25 -4.80 118.68 119.95 2kk6 s LEU 106 Ca 0.15 -1.25 -0.19 0.00 0.06 0.00 0.00 54.13 52.90 2kk6 s LEU 106 Cb -0.16 0.59 0.03 0.00 -0.56 0.00 0.00 46.19 46.09 2kk6 s LEU 106 CO 0.14 -0.85 0.35 -0.46 -1.06 0.00 0.00 176.35 174.46 2kk6 n ASN 107 N -0.24 -2.85 -4.77 1.48 2.04 -1.26 -4.22 115.26 105.44 2kk6 n ASN 107 Ca -0.01 -0.14 -0.38 0.00 -0.44 0.00 0.00 54.58 53.61 2kk6 n ASN 107 Cb 0.65 -0.84 -0.00 0.00 -2.53 0.00 0.00 39.78 37.05 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 -1.58 3.77 -0.21 -0.53 0.02 -1.26 -4.37 135.00 130.84 2kk6 s PRO 108 Ca 0.18 1.97 -0.18 0.00 0.02 0.00 0.00 61.00 62.99 2kk6 s PRO 108 Cb -0.02 -2.53 -0.03 0.00 0.02 0.00 0.00 34.50 31.94 2kk6 s PRO 108 CO 0.47 -0.59 0.50 0.42 -0.33 0.00 0.00 177.00 177.46 2kk6 s ILE 109 N -1.40 5.11 0.17 2.83 -1.09 -1.24 -4.98 121.20 120.59 2kk6 s ILE 109 Ca 0.62 0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 59.62 2kk6 s ILE 109 Cb -0.34 -3.82 -0.11 0.00 -1.58 0.00 0.00 42.46 36.61 2kk6 s ILE 109 CO 0.41 0.17 1.78 -2.16 -1.23 0.00 0.00 174.94 173.92 2kk6 s PRO 110 N 1.72 4.13 0.95 2.79 0.04 -1.26 -4.25 135.00 139.11 2kk6 s PRO 110 Ca 0.23 2.61 -0.11 0.00 0.04 0.00 0.00 61.00 63.76 2kk6 s PRO 110 Cb -0.15 -3.34 0.16 0.00 0.04 0.00 0.00 34.50 31.21 2kk6 s PRO 110 CO 0.09 -0.80 1.11 -1.59 0.04 0.00 0.00 177.00 175.85 2kk6 s LYS 111 N 1.98 0.78 -0.97 4.56 -2.85 0.11 -4.91 119.74 118.43 2kk6 s LYS 111 Ca 0.78 1.25 -0.24 0.00 -1.00 0.00 0.00 55.97 56.77 2kk6 s LYS 111 Cb -0.48 -1.72 0.05 0.00 -2.06 0.00 0.00 37.83 33.62 2kk6 s LYS 111 CO 0.34 -2.70 1.43 -0.51 0.10 0.00 0.00 175.35 174.01 2kk6 s ASP 112 N -2.83 6.43 0.00 0.03 1.11 -1.26 -4.77 116.67 115.38 2kk6 s ASP 112 Ca 0.66 -1.28 0.17 0.00 0.18 0.00 0.00 52.55 52.28 2kk6 s ASP 112 Cb -0.22 -2.57 0.50 0.00 1.07 0.00 0.00 42.92 41.70 2kk6 s ASP 112 CO 0.59 -1.57 1.41 0.29 1.18 0.00 0.00 175.17 177.06 2kk6 n LYS 113 N 8.97 2.08 -2.77 8.23 4.76 -1.26 -4.80 118.16 133.37 2kk6 n LYS 113 Ca 0.28 -1.66 -0.42 0.00 -2.87 0.00 0.00 58.31 53.64 2kk6 n LYS 113 Cb 0.51 -1.40 -0.04 0.00 -1.84 0.00 0.00 35.03 32.26 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2kk6 s LYS 114 N -1.47 3.19 -0.00 1.97 2.20 -1.26 -4.92 119.74 119.44 2kk6 s LYS 114 Ca 0.33 -0.54 -0.02 0.00 -0.36 0.00 0.00 55.97 55.38 2kk6 s LYS 114 Cb 0.18 -4.17 -0.08 0.00 -1.51 0.00 0.00 37.83 32.24 2kk6 s LYS 114 CO 0.24 -1.83 2.52 0.91 -0.36 0.00 0.00 175.35 176.84 2kk6 n TRP 115 N 8.08 0.01 -0.31 4.03 7.02 -1.26 -5.27 117.44 129.74 2kk6 n TRP 115 Ca -0.01 -1.17 0.00 0.00 -1.02 0.00 0.00 57.50 55.31 2kk6 n TRP 115 Cb 0.47 -0.85 0.00 0.00 -2.42 0.00 0.00 31.31 28.50 2kk6 n TRP 115 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78