#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 0.31 3.55 3.03 0.00 -1.26 -5.10 105.19 105.73 2kk6 n GLY 2 Ca 0.00 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2kk6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kk6 s HIS 3 N -0.10 3.02 0.14 1.61 0.09 -1.26 -5.11 115.29 113.68 2kk6 s HIS 3 Ca 0.00 -0.12 -0.20 0.00 -0.00 0.00 0.00 55.06 54.74 2kk6 s HIS 3 Cb 0.00 -1.85 -0.07 0.00 -0.00 0.00 0.00 32.58 30.66 2kk6 s HIS 3 CO 0.00 0.16 0.65 -1.58 -0.00 0.00 0.00 174.74 173.97 2kk6 s HIS 4 N -0.22 3.77 0.06 1.40 5.65 -1.26 -5.08 115.29 119.62 2kk6 s HIS 4 Ca 0.04 1.36 -0.06 0.00 0.25 0.00 0.00 55.06 56.65 2kk6 s HIS 4 Cb -0.13 -2.57 -0.05 0.00 -1.18 0.00 0.00 32.58 28.65 2kk6 s HIS 4 CO 0.02 0.50 0.32 -1.58 -0.65 0.00 0.00 174.74 173.35 2kk6 s HIS 5 N -1.25 3.55 -0.19 3.88 5.65 -1.26 -5.10 115.29 120.57 2kk6 s HIS 5 Ca 0.35 0.59 -0.04 0.00 0.25 0.00 0.00 55.06 56.20 2kk6 s HIS 5 Cb -0.19 -2.01 -0.02 0.00 -1.18 0.00 0.00 32.58 29.18 2kk6 s HIS 5 CO 0.21 0.55 -0.04 -1.01 -0.65 0.00 0.00 174.74 173.80 2kk6 s HIS 6 N -1.42 2.98 -0.49 3.88 4.02 -1.26 -5.09 115.29 117.91 2kk6 s HIS 6 Ca 0.32 -0.60 -0.07 0.00 1.02 0.00 0.00 55.06 55.73 2kk6 s HIS 6 Cb -0.13 -2.03 0.13 0.00 -1.02 0.00 0.00 32.58 29.52 2kk6 s HIS 6 CO 0.20 -0.29 0.34 -1.58 1.02 0.00 0.00 174.74 174.42 2kk6 s HIS 7 N 0.94 3.47 -0.53 1.40 5.65 -1.26 -5.05 115.29 119.92 2kk6 s HIS 7 Ca 0.00 -2.07 -0.21 0.00 0.25 0.00 0.00 55.06 53.03 2kk6 s HIS 7 Cb -0.15 -3.43 0.05 0.00 -1.18 0.00 0.00 32.58 27.88 2kk6 s HIS 7 CO 0.01 -0.98 0.74 -1.58 -0.65 0.00 0.00 174.74 172.29 2kk6 s HIS 8 N 1.14 2.95 0.18 3.88 2.46 -1.26 -5.06 115.29 119.57 2kk6 s HIS 8 Ca 0.08 -0.39 -0.03 0.00 0.47 0.00 0.00 55.06 55.19 2kk6 s HIS 8 Cb -0.24 -3.76 0.04 0.00 -0.13 0.00 0.00 32.58 28.49 2kk6 s HIS 8 CO -0.02 -1.17 0.22 0.45 -2.47 0.00 0.00 174.74 171.75 2kk6 n SER 9 N 6.65 -0.21 -4.74 9.88 2.88 -1.26 -5.02 113.62 121.80 2kk6 n SER 9 Ca -0.04 -0.99 -0.35 0.00 -1.33 0.00 0.00 58.87 56.16 2kk6 n SER 9 Cb 0.46 -0.17 0.06 0.00 -0.75 0.00 0.00 64.21 63.81 2kk6 n SER 9 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2kk6 s HIS 10 N -1.47 2.29 -0.01 0.66 0.09 -1.26 -4.90 115.29 110.69 2kk6 s HIS 10 Ca 0.13 1.56 -0.30 0.00 -0.00 0.00 0.00 55.06 56.45 2kk6 s HIS 10 Cb -0.00 -3.41 -0.08 0.00 -0.00 0.00 0.00 32.58 29.09 2kk6 s HIS 10 CO 0.09 -2.27 1.95 1.41 -0.00 0.00 0.00 174.74 175.91 2kk6 s MET 11 N -3.75 4.02 0.39 1.40 1.75 -1.26 -4.95 119.30 116.90 2kk6 s MET 11 Ca 0.74 2.46 -0.26 0.00 -1.25 0.00 0.00 55.69 57.38 2kk6 s MET 11 Cb -0.28 -4.16 -0.09 0.00 2.84 0.00 0.00 34.83 33.15 2kk6 s MET 11 CO 0.40 -1.09 1.17 0.15 -0.65 0.00 0.00 175.02 175.01 2kk6 s LYS 12 N 4.63 4.11 1.26 4.11 -0.14 -1.26 -5.04 119.74 127.41 2kk6 s LYS 12 Ca 0.87 1.85 -0.19 0.00 -1.36 0.00 0.00 55.97 57.15 2kk6 s LYS 12 Cb -0.40 -2.72 0.31 0.00 -1.68 0.00 0.00 37.83 33.34 2kk6 s LYS 12 CO 0.39 -0.28 1.02 -1.25 -0.76 0.00 0.00 175.35 174.47 2kk6 s PRO 13 N -2.23 -1.70 0.15 -1.68 0.04 -1.26 -4.85 135.00 123.47 2kk6 s PRO 13 Ca 0.56 0.21 -0.18 0.00 0.04 0.00 0.00 61.00 61.63 2kk6 s PRO 13 Cb -0.31 -1.52 0.03 0.00 0.04 0.00 0.00 34.50 32.75 2kk6 s PRO 13 CO 0.39 -4.08 1.72 1.25 0.04 0.00 0.00 177.00 176.32 2kk6 h LEU 14 N -2.86 -0.08 -2.02 -3.56 5.85 -1.98 -1.97 115.31 108.70 2kk6 h LEU 14 Ca -0.48 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.34 2kk6 h LEU 14 Cb 1.32 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2kk6 h LEU 14 CO 0.37 -0.00 0.10 0.00 -0.34 0.00 0.00 178.44 178.57 2kk6 h ALA 15 N 1.25 2.10 -0.08 1.25 0.00 -1.94 -1.62 119.26 120.23 2kk6 h ALA 15 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2kk6 h ALA 15 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kk6 h ALA 15 CO -0.22 -0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.25 2kk6 n GLU 16 N -4.45 1.40 -3.16 0.00 -0.58 -0.75 -4.86 120.64 108.24 2kk6 n GLU 16 Ca 0.00 -0.60 -0.39 0.00 -0.42 0.00 0.00 57.16 55.76 2kk6 n GLU 16 Cb 0.23 -1.38 -0.06 0.00 -0.57 0.00 0.00 31.44 29.66 2kk6 n GLU 16 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2kk6 s GLN 17 N -1.91 4.35 0.30 3.49 -1.52 -0.61 -4.93 119.66 118.84 2kk6 s GLN 17 Ca 0.33 0.85 0.05 0.00 -1.95 0.00 0.00 55.36 54.64 2kk6 s GLN 17 Cb 0.17 -3.30 0.48 0.00 -0.22 0.00 0.00 33.01 30.14 2kk6 s GLN 17 CO 0.26 0.47 1.74 -0.44 -0.25 0.00 0.00 175.29 177.07 2kk6 h ASP 18 N 5.09 0.33 0.75 5.90 5.19 -1.89 -2.58 116.42 129.22 2kk6 h ASP 18 Ca -0.47 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 55.83 2kk6 h ASP 18 Cb 1.21 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2kk6 h ASP 18 CO 0.67 0.64 0.00 -2.67 -3.12 0.00 0.00 179.24 174.76 2kk6 n TRP 19 N -4.10 0.00 -3.21 4.55 4.27 -1.25 -0.55 117.44 117.15 2kk6 n TRP 19 Ca -0.01 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.16 2kk6 n TRP 19 Cb 0.42 -0.47 -0.06 0.00 -1.36 0.00 0.00 31.31 29.84 2kk6 n TRP 19 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2kk6 s TYR 20 N -2.93 3.10 -1.10 -2.67 5.04 -0.97 -0.89 117.35 116.92 2kk6 s TYR 20 Ca 0.13 -0.68 0.25 0.00 -2.44 0.00 0.00 57.07 54.33 2kk6 s TYR 20 Cb 0.16 -3.49 0.56 0.00 0.35 0.00 0.00 41.96 39.53 2kk6 s TYR 20 CO 0.42 -1.00 1.45 0.72 -1.34 0.00 0.00 175.55 175.80 2kk6 n HIS 21 N 5.93 0.00 -1.73 4.97 8.25 -0.97 -4.75 115.22 126.93 2kk6 n HIS 21 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2kk6 n HIS 21 Cb 0.45 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 1.48 -1.75 3.22 -1.41 0.00 -1.24 -4.63 105.19 100.85 2kk6 n GLY 22 Ca 0.06 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 0.76 3.98 -2.84 4.61 0.00 -1.26 -1.51 120.51 124.25 2kk6 n ALA 23 Ca 0.00 -3.68 -0.25 0.00 0.00 0.00 0.00 53.44 49.52 2kk6 n ALA 23 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 19.45 15.83 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 4.90 4.63 0.73 0.00 -4.36 -1.26 -4.88 121.20 120.96 2kk6 s ILE 24 Ca 0.54 -1.12 -0.12 0.00 -0.26 0.00 0.00 60.65 59.69 2kk6 s ILE 24 Cb 0.08 -3.42 0.03 0.00 1.25 0.00 0.00 42.46 40.41 2kk6 s ILE 24 CO 0.03 -0.19 1.09 -2.16 0.24 0.00 0.00 174.94 173.96 2kk6 s PRO 25 N -3.40 2.49 0.35 0.37 0.04 -1.26 -4.73 135.00 128.87 2kk6 s PRO 25 Ca 0.32 1.23 0.07 0.00 0.04 0.00 0.00 61.00 62.66 2kk6 s PRO 25 Cb -0.09 -1.92 0.76 0.00 0.04 0.00 0.00 34.50 33.28 2kk6 s PRO 25 CO 0.25 -1.47 1.91 -0.09 0.04 0.00 0.00 177.00 177.64 2kk6 h ARG 26 N -0.69 0.73 0.57 4.56 2.43 -1.99 -2.45 114.38 117.54 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 1.23 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2kk6 h ARG 26 CO 0.53 0.48 -0.41 0.82 -1.51 0.00 0.00 179.97 179.88 2kk6 h ILE 27 N 0.75 0.17 -0.20 1.20 2.04 -2.00 -2.31 117.51 117.16 2kk6 h ILE 27 Ca 0.39 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.28 2kk6 h ILE 27 Cb 0.48 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2kk6 h ILE 27 CO -0.15 0.00 0.14 -0.33 0.00 0.00 0.00 178.15 177.80 2kk6 h GLU 28 N -0.95 0.09 -0.53 2.37 4.39 -1.87 -0.35 114.58 117.72 2kk6 h GLU 28 Ca -0.07 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 2kk6 h GLU 28 Cb 0.79 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2kk6 h GLU 28 CO 0.03 0.06 0.01 0.00 -1.16 0.00 0.00 179.01 177.95 2kk6 h ALA 29 N 1.89 1.02 0.12 3.43 0.00 -1.05 -3.20 119.26 121.47 2kk6 h ALA 29 Ca 0.09 -0.28 -0.32 0.00 0.00 0.00 0.00 54.91 54.40 2kk6 h ALA 29 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kk6 h ALA 29 CO -0.01 0.61 -1.66 -0.56 0.00 0.00 0.00 179.25 177.63 2kk6 h GLN 30 N 0.83 0.24 0.00 0.00 3.07 -0.78 -3.37 115.11 115.10 2kk6 h GLN 30 Ca 0.16 -0.42 -0.01 0.00 0.09 0.00 0.00 58.65 58.47 2kk6 h GLN 30 Cb 0.48 0.16 -0.00 0.00 0.08 0.00 0.00 27.48 28.19 2kk6 h GLN 30 CO 0.02 1.09 -0.03 0.93 0.09 0.00 0.00 178.83 180.93 2kk6 h GLU 31 N 0.07 0.00 0.00 0.06 4.39 -1.11 -1.03 114.58 116.95 2kk6 h GLU 31 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2kk6 h GLU 31 Cb 2.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2kk6 h GLU 31 CO 0.14 0.03 -0.86 1.47 -1.16 0.00 0.00 179.01 178.64 2kk6 n LEU 32 N -3.33 0.63 -4.61 1.33 -0.00 -1.21 -4.84 117.00 104.98 2kk6 n LEU 32 Ca -0.02 0.05 -0.43 0.00 -0.00 0.00 0.00 56.01 55.61 2kk6 n LEU 32 Cb 0.15 -0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.40 2kk6 n LEU 32 CO 0.25 0.03 0.79 -0.76 -0.00 0.00 0.00 177.39 177.69 2kk6 s LEU 33 N -3.90 3.98 0.00 1.47 1.43 -0.39 -4.88 118.68 116.39 2kk6 s LEU 33 Ca 0.05 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2kk6 s LEU 33 Cb 0.14 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 43.06 2kk6 s LEU 33 CO 0.77 -0.86 0.00 2.29 0.23 0.00 0.00 176.35 178.78 2kk6 n LYS 34 N 6.80 0.00 -4.31 1.70 2.85 -1.26 -5.01 118.16 118.93 2kk6 n LYS 34 Ca 0.08 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.08 2kk6 n LYS 34 Cb 0.48 -0.84 -0.09 0.00 -0.65 0.00 0.00 35.03 33.93 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 -1.86 2.05 -0.48 -1.58 -2.85 -1.26 -5.05 119.74 108.70 2kk6 s LYS 35 Ca 0.00 -1.35 -0.27 0.00 -1.00 0.00 0.00 55.97 53.36 2kk6 s LYS 35 Cb 0.00 -2.12 -0.05 0.00 -2.06 0.00 0.00 37.83 33.60 2kk6 s LYS 35 CO 0.00 0.41 2.18 -1.14 0.10 0.00 0.00 175.35 176.90 2kk6 s GLN 36 N -3.03 2.46 0.00 1.78 0.74 -1.26 -2.47 119.66 117.88 2kk6 s GLN 36 Ca 0.26 1.24 0.00 0.00 0.05 0.00 0.00 55.36 56.91 2kk6 s GLN 36 Cb -0.08 -4.47 0.00 0.00 1.10 0.00 0.00 33.01 29.56 2kk6 s GLN 36 CO 0.16 -2.88 0.00 0.41 -0.55 0.00 0.00 175.29 172.43 2kk6 n GLY 37 N 5.84 3.83 3.61 2.59 0.00 0.78 -4.97 105.19 116.87 2kk6 n GLY 37 Ca 0.30 -0.57 -0.50 0.00 0.00 0.00 0.00 46.02 45.26 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 1.95 -3.84 1.61 8.00 -1.03 -3.78 116.55 119.45 2kk6 n ASP 38 Ca 0.00 1.12 -0.12 0.00 0.71 0.00 0.00 54.79 56.50 2kk6 n ASP 38 Cb 0.00 -1.26 -0.10 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 0.37 -0.03 0.06 1.24 -0.71 -1.26 -0.56 117.98 117.09 2kk6 s PHE 39 Ca 0.80 0.00 -0.09 0.00 -1.04 0.00 0.00 56.93 56.59 2kk6 s PHE 39 Cb -0.85 -0.01 0.00 0.00 -1.21 0.00 0.00 43.02 40.95 2kk6 s PHE 39 CO 0.46 -0.30 0.20 -0.48 -1.34 0.00 0.00 175.22 173.76 2kk6 s LEU 40 N -1.28 1.38 -0.13 -1.99 2.34 -0.63 -3.34 118.68 115.03 2kk6 s LEU 40 Ca -0.14 -0.46 -0.01 0.00 0.06 0.00 0.00 54.13 53.58 2kk6 s LEU 40 Cb -0.07 0.99 -0.02 0.00 -0.56 0.00 0.00 46.19 46.53 2kk6 s LEU 40 CO 0.02 -0.62 -0.09 -0.69 -1.06 0.00 0.00 176.35 173.91 2kk6 s VAL 41 N -3.01 3.41 0.24 1.48 1.01 -0.07 -0.44 120.40 123.02 2kk6 s VAL 41 Ca -0.02 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.51 2kk6 s VAL 41 Cb 0.01 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2kk6 s VAL 41 CO -0.06 0.52 -0.14 0.00 0.00 0.00 0.00 175.10 175.42 2kk6 s ARG 42 N 0.18 1.49 -0.10 2.72 1.70 -0.60 -2.28 118.95 122.06 2kk6 s ARG 42 Ca -0.05 -1.69 -0.01 0.00 -0.47 0.00 0.00 55.73 53.51 2kk6 s ARG 42 Cb -0.15 -1.34 -0.03 0.00 -0.57 0.00 0.00 34.95 32.87 2kk6 s ARG 42 CO 0.04 0.20 -0.05 -2.00 -1.08 0.00 0.00 175.30 172.41 2kk6 s GLU 43 N -3.62 3.10 0.43 3.89 2.12 -0.57 -0.65 118.70 123.40 2kk6 s GLU 43 Ca 0.26 -0.52 -0.22 0.00 0.36 0.00 0.00 54.97 54.85 2kk6 s GLU 43 Cb -0.01 -2.73 -0.10 0.00 0.26 0.00 0.00 34.13 31.55 2kk6 s GLU 43 CO 0.10 0.53 1.00 0.45 -0.54 0.00 0.00 175.26 176.80 2kk6 s SER 44 N -0.42 6.77 -0.15 -1.70 0.15 0.49 -4.05 113.70 114.79 2kk6 s SER 44 Ca 0.07 1.85 -0.03 0.00 0.70 0.00 0.00 55.95 58.54 2kk6 s SER 44 Cb -0.12 -2.56 -0.24 0.00 -1.71 0.00 0.00 66.02 61.39 2kk6 s SER 44 CO 0.02 -0.48 0.24 1.41 1.20 0.00 0.00 173.24 175.64 2kk6 n HIS 45 N -0.46 0.92 -0.11 3.44 -0.00 -1.26 -4.05 115.22 113.69 2kk6 n HIS 45 Ca 0.07 0.20 -0.09 0.00 -0.00 0.00 0.00 57.72 57.90 2kk6 n HIS 45 Cb 0.52 -1.12 0.06 0.00 -0.00 0.00 0.00 29.99 29.45 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 1.55 0.92 -7.50 -1.41 0.00 -2.00 -3.35 103.07 91.29 2kk6 h GLY 46 Ca -0.45 -0.80 -0.71 0.00 0.00 0.00 0.00 47.33 45.37 2kk6 h GLY 46 CO 0.05 0.73 -0.23 1.25 0.00 0.00 0.00 176.54 178.34 2kk6 s LYS 47 N -4.63 2.92 -0.39 4.80 2.47 -1.26 -5.06 119.74 118.59 2kk6 s LYS 47 Ca -0.10 -2.80 -0.28 0.00 -1.56 0.00 0.00 55.97 51.23 2kk6 s LYS 47 Cb 0.13 -3.87 -0.07 0.00 -1.46 0.00 0.00 37.83 32.55 2kk6 s LYS 47 CO 0.85 -1.22 2.33 -2.30 0.16 0.00 0.00 175.35 175.17 2kk6 n PRO 48 N 3.11 1.39 0.00 4.03 -0.02 -1.26 -1.13 135.00 141.11 2kk6 n PRO 48 Ca 0.13 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2kk6 n PRO 48 Cb 0.38 -3.23 0.00 0.00 -0.02 0.00 0.00 33.50 30.63 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 5.97 1.21 3.62 -1.23 0.00 -1.26 -5.08 105.19 108.42 2kk6 n GLY 49 Ca 0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.12 3.88 -0.24 1.61 2.12 -0.28 -4.95 118.70 120.72 2kk6 s GLU 50 Ca 0.00 0.76 -0.10 0.00 0.36 0.00 0.00 54.97 55.99 2kk6 s GLU 50 Cb 0.00 -3.81 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 2kk6 s GLU 50 CO 0.00 -1.07 0.14 0.71 -0.54 0.00 0.00 175.26 174.50 2kk6 s TYR 51 N 3.86 3.25 -0.20 5.30 1.51 -1.26 -0.38 117.35 129.42 2kk6 s TYR 51 Ca 0.44 0.08 -0.04 0.00 -1.01 0.00 0.00 57.07 56.54 2kk6 s TYR 51 Cb -0.10 -2.27 -0.01 0.00 -0.11 0.00 0.00 41.96 39.46 2kk6 s TYR 51 CO 0.22 -0.05 -0.04 0.08 -1.11 0.00 0.00 175.55 174.65 2kk6 s VAL 52 N 1.23 3.51 -0.03 0.71 1.01 0.18 -1.94 120.40 125.06 2kk6 s VAL 52 Ca 0.07 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 2kk6 s VAL 52 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2kk6 s VAL 52 CO 0.05 0.44 0.68 -0.22 0.00 0.00 0.00 175.10 176.06 2kk6 s LEU 53 N 1.12 4.37 -0.29 3.92 2.96 0.31 -1.56 118.68 129.50 2kk6 s LEU 53 Ca 0.02 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 2kk6 s LEU 53 Cb -0.15 -3.06 0.08 0.00 0.50 0.00 0.00 46.19 43.57 2kk6 s LEU 53 CO -0.00 -0.03 0.01 -0.44 -1.32 0.00 0.00 176.35 174.57 2kk6 s SER 54 N 0.37 4.26 -0.07 3.68 0.01 0.42 -0.42 113.70 121.95 2kk6 s SER 54 Ca 0.36 -1.63 0.04 0.00 1.31 0.00 0.00 55.95 56.03 2kk6 s SER 54 Cb -0.18 -1.30 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 2kk6 s SER 54 CO 0.19 -0.32 -0.21 0.54 0.41 0.00 0.00 173.24 173.85 2kk6 s VAL 55 N 1.25 2.41 -0.41 3.43 0.11 -0.06 -1.60 120.40 125.52 2kk6 s VAL 55 Ca 0.03 -0.93 -0.21 0.00 -2.93 0.00 0.00 61.98 57.94 2kk6 s VAL 55 Cb -0.19 -1.92 0.02 0.00 -1.53 0.00 0.00 36.38 32.76 2kk6 s VAL 55 CO -0.11 0.57 0.66 -0.47 -3.33 0.00 0.00 175.10 172.42 2kk6 s TYR 56 N -0.14 3.08 -0.09 1.54 6.14 0.28 -0.03 117.35 128.13 2kk6 s TYR 56 Ca -0.03 0.10 -0.08 0.00 0.64 0.00 0.00 57.07 57.70 2kk6 s TYR 56 Cb -0.14 -3.32 0.02 0.00 0.42 0.00 0.00 41.96 38.94 2kk6 s TYR 56 CO 0.04 -0.81 0.23 0.45 0.64 0.00 0.00 175.55 176.10 2kk6 s SER 57 N 1.95 -0.24 -1.51 4.32 0.15 -0.37 -0.15 113.70 117.84 2kk6 s SER 57 Ca 0.24 0.47 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 2kk6 s SER 57 Cb -0.14 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2kk6 s SER 57 CO 0.18 -0.08 0.23 -0.67 1.20 0.00 0.00 173.24 174.10 2kk6 n ASP 58 N 2.95 -5.50 0.00 5.45 2.03 -1.26 -1.94 116.55 118.28 2kk6 n ASP 58 Ca -0.13 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.07 2kk6 n ASP 58 Cb 0.58 -4.46 0.00 0.00 -0.72 0.00 0.00 41.12 36.52 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 -1.19 0.52 3.25 0.27 0.00 -1.26 -5.02 105.19 101.75 2kk6 n GLY 59 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.20 1.03 -0.61 1.61 -0.21 -0.82 -5.10 119.66 115.37 2kk6 s GLN 60 Ca 0.00 -1.13 -0.23 0.00 0.02 0.00 0.00 55.36 54.02 2kk6 s GLN 60 Cb 0.00 -1.16 0.05 0.00 1.00 0.00 0.00 33.01 32.90 2kk6 s GLN 60 CO 0.00 0.26 0.96 1.03 -2.12 0.00 0.00 175.29 175.42 2kk6 s ARG 61 N -2.01 3.22 -0.31 2.91 3.00 -1.26 -1.24 118.95 123.26 2kk6 s ARG 61 Ca 0.05 -0.53 -0.25 0.00 0.00 0.00 0.00 55.73 55.00 2kk6 s ARG 61 Cb -0.09 -4.14 0.01 0.00 0.00 0.00 0.00 34.95 30.73 2kk6 s ARG 61 CO 0.04 -1.65 0.88 1.03 0.00 0.00 0.00 175.30 175.60 2kk6 s ARG 62 N 4.04 3.99 -0.26 3.54 1.81 0.96 -4.88 118.95 128.15 2kk6 s ARG 62 Ca 0.26 0.75 -0.06 0.00 -1.72 0.00 0.00 55.73 54.96 2kk6 s ARG 62 Cb -0.14 -3.73 -0.01 0.00 -0.45 0.00 0.00 34.95 30.61 2kk6 s ARG 62 CO 0.15 -0.75 0.04 -1.01 -0.68 0.00 0.00 175.30 173.04 2kk6 s HIS 63 N 3.18 3.07 -0.16 -0.53 3.76 -1.25 -0.88 115.29 122.48 2kk6 s HIS 63 Ca 0.37 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2kk6 s HIS 63 Cb -0.13 -2.20 0.00 0.00 1.11 0.00 0.00 32.58 31.35 2kk6 s HIS 63 CO 0.13 -0.49 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.32 2kk6 s PHE 64 N 1.54 2.78 0.04 1.40 0.08 0.44 -4.94 117.98 119.32 2kk6 s PHE 64 Ca 0.05 -1.12 -0.23 0.00 0.12 0.00 0.00 56.93 55.75 2kk6 s PHE 64 Cb -0.16 -1.89 -0.06 0.00 -0.57 0.00 0.00 43.02 40.34 2kk6 s PHE 64 CO 0.01 -0.52 0.69 0.42 -0.10 0.00 0.00 175.22 175.73 2kk6 s ILE 65 N 0.88 4.75 -0.34 0.64 1.01 -1.26 -0.53 121.20 126.34 2kk6 s ILE 65 Ca -0.04 1.47 -0.26 0.00 0.00 0.00 0.00 60.65 61.82 2kk6 s ILE 65 Cb -0.15 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.29 2kk6 s ILE 65 CO -0.01 0.42 0.92 -0.63 0.00 0.00 0.00 174.94 175.63 2kk6 s ILE 66 N -0.31 4.62 0.19 2.92 1.01 -0.82 -4.73 121.20 124.09 2kk6 s ILE 66 Ca 0.35 1.29 -0.23 0.00 0.00 0.00 0.00 60.65 62.06 2kk6 s ILE 66 Cb -0.20 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.89 2kk6 s ILE 66 CO 0.21 -0.45 0.76 -1.10 0.00 0.00 0.00 174.94 174.36 2kk6 s GLN 67 N 3.37 4.45 -0.53 2.79 1.11 0.11 -4.71 119.66 126.25 2kk6 s GLN 67 Ca 0.38 1.06 -0.15 0.00 0.01 0.00 0.00 55.36 56.66 2kk6 s GLN 67 Cb -0.13 -3.10 0.13 0.00 -1.01 0.00 0.00 33.01 28.90 2kk6 s GLN 67 CO 0.16 0.50 0.48 -0.47 0.01 0.00 0.00 175.29 175.97 2kk6 s TYR 68 N -1.30 3.29 -0.09 0.91 5.04 -1.26 -1.21 117.35 122.73 2kk6 s TYR 68 Ca 0.39 -1.40 0.02 0.00 -2.44 0.00 0.00 57.07 53.64 2kk6 s TYR 68 Cb -0.21 -3.75 0.01 0.00 0.35 0.00 0.00 41.96 38.37 2kk6 s TYR 68 CO 0.24 -1.02 -0.14 0.08 -1.34 0.00 0.00 175.55 173.38 2kk6 s VAL 69 N 1.54 1.33 -1.45 3.14 1.01 -0.25 -4.74 120.40 120.98 2kk6 s VAL 69 Ca 0.04 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2kk6 s VAL 69 Cb -0.29 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 34.91 2kk6 s VAL 69 CO 0.02 0.40 0.62 0.47 0.00 0.00 0.00 175.10 176.61 2kk6 n ASP 70 N 3.98 -5.21 -0.30 3.32 8.00 -1.26 -0.65 116.55 124.44 2kk6 n ASP 70 Ca -0.21 -0.36 -0.04 0.00 0.71 0.00 0.00 54.79 54.89 2kk6 n ASP 70 Cb 0.52 -4.22 -0.02 0.00 -0.02 0.00 0.00 41.12 37.37 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 -2.48 -4.98 -4.43 -2.24 3.02 -1.26 -4.99 115.26 97.89 2kk6 n ASN 71 Ca -0.06 0.10 -0.32 0.00 -0.03 0.00 0.00 54.58 54.26 2kk6 n ASN 71 Cb 0.58 -2.83 -0.14 0.00 -0.61 0.00 0.00 39.78 36.78 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 -1.89 2.46 -0.17 3.52 -1.94 0.18 -4.70 119.30 116.76 2kk6 s MET 72 Ca 0.00 -0.75 -0.24 0.00 -1.71 0.00 0.00 55.69 53.00 2kk6 s MET 72 Cb 0.00 -2.32 -0.02 0.00 2.01 0.00 0.00 34.83 34.51 2kk6 s MET 72 CO 0.00 0.59 0.75 0.71 -0.01 0.00 0.00 175.02 177.06 2kk6 s TYR 73 N -0.64 3.41 0.02 -0.03 2.02 0.99 -1.09 117.35 122.03 2kk6 s TYR 73 Ca 0.10 1.14 0.01 0.00 -0.37 0.00 0.00 57.07 57.95 2kk6 s TYR 73 Cb -0.11 -2.93 -0.01 0.00 -0.40 0.00 0.00 41.96 38.51 2kk6 s TYR 73 CO 0.01 -0.20 -0.04 -0.98 -1.57 0.00 0.00 175.55 172.77 2kk6 s ARG 74 N 1.99 0.32 -0.01 -0.62 1.70 -0.35 -1.18 118.95 120.81 2kk6 s ARG 74 Ca 0.35 -0.43 -0.01 0.00 -0.47 0.00 0.00 55.73 55.17 2kk6 s ARG 74 Cb -0.16 -0.12 -0.00 0.00 -0.57 0.00 0.00 34.95 34.09 2kk6 s ARG 74 CO 0.12 0.02 -0.01 1.19 -1.08 0.00 0.00 175.30 175.54 2kk6 n PHE 75 N 2.15 0.02 -0.02 5.89 3.72 -1.24 -0.71 117.46 127.27 2kk6 n PHE 75 Ca -0.19 0.01 -0.01 0.00 -0.05 0.00 0.00 57.45 57.21 2kk6 n PHE 75 Cb 0.57 -0.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.97 2kk6 n PHE 75 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2kk6 h GLU 76 N -0.04 0.00 0.00 -1.08 4.57 -1.93 -3.45 114.58 112.65 2kk6 h GLU 76 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kk6 h GLU 76 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2kk6 h GLU 76 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 2kk6 n GLY 77 N 1.78 -0.02 3.81 1.92 0.00 -1.26 -5.09 105.19 106.33 2kk6 n GLY 77 Ca -0.02 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2kk6 n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kk6 s THR 78 N -1.38 4.40 0.32 2.61 -1.32 -1.26 -4.95 115.64 114.06 2kk6 s THR 78 Ca 0.00 1.48 -0.14 0.00 -1.21 0.00 0.00 61.69 61.82 2kk6 s THR 78 Cb 0.00 -3.71 0.02 0.00 -1.51 0.00 0.00 72.50 67.30 2kk6 s THR 78 CO 0.00 -0.16 0.64 -0.83 -2.21 0.00 0.00 174.62 172.06 2kk6 s GLY 79 N -2.03 0.49 0.22 6.08 0.00 -1.26 -3.69 107.32 107.14 2kk6 s GLY 79 Ca 0.57 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 44.54 2kk6 s GLY 79 CO 0.17 -0.45 -0.07 -1.36 0.00 0.00 0.00 173.10 171.39 2kk6 s PHE 80 N -3.26 1.66 0.27 1.90 0.40 -0.32 -4.85 117.98 113.78 2kk6 s PHE 80 Ca 0.19 -0.75 0.32 0.00 -0.60 0.00 0.00 56.93 56.09 2kk6 s PHE 80 Cb -0.03 -0.90 1.48 0.00 0.51 0.00 0.00 43.02 44.08 2kk6 s PHE 80 CO 0.11 0.16 2.04 0.66 0.70 0.00 0.00 175.22 178.89 2kk6 h SER 81 N 2.49 0.00 -4.09 1.36 4.64 -1.88 0.28 113.55 116.36 2kk6 h SER 81 Ca -0.38 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.47 2kk6 h SER 81 Cb 1.22 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.01 2kk6 h SER 81 CO 0.65 0.07 -0.80 0.20 -0.87 0.00 0.00 176.83 176.07 2kk6 s ASN 82 N -5.80 1.53 0.11 4.97 0.01 -1.26 -4.72 114.94 109.78 2kk6 s ASN 82 Ca -0.01 -0.24 -0.22 0.00 -0.71 0.00 0.00 52.86 51.68 2kk6 s ASN 82 Cb 0.11 -0.23 -0.07 0.00 0.41 0.00 0.00 41.25 41.46 2kk6 s ASN 82 CO 0.55 0.14 1.71 0.40 -1.51 0.00 0.00 177.10 178.39 2kk6 h ILE 83 N 4.95 0.81 -0.77 0.60 2.04 -1.93 -0.91 117.51 122.29 2kk6 h ILE 83 Ca -0.33 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.65 2kk6 h ILE 83 Cb 1.17 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 2kk6 h ILE 83 CO 0.49 0.00 0.51 1.55 0.00 0.00 0.00 178.15 180.70 2kk6 h PRO 84 N -0.08 0.54 -0.17 2.37 0.13 -1.95 -1.08 132.00 131.77 2kk6 h PRO 84 Ca 0.06 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.03 2kk6 h PRO 84 Cb 0.15 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2kk6 h PRO 84 CO -0.13 0.36 -0.36 1.96 -0.23 0.00 0.00 178.00 179.60 2kk6 h GLN 85 N 0.56 0.54 0.11 0.86 1.08 -1.86 -0.56 115.11 115.83 2kk6 h GLN 85 Ca 0.37 -0.35 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2kk6 h GLN 85 Cb 0.67 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.10 2kk6 h GLN 85 CO -0.14 0.97 -0.34 1.25 -0.95 0.00 0.00 178.83 179.62 2kk6 h LEU 86 N 0.18 -0.99 0.14 1.46 5.85 -0.41 0.10 115.31 121.64 2kk6 h LEU 86 Ca 0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2kk6 h LEU 86 Cb 0.96 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2kk6 h LEU 86 CO 0.08 -0.42 -0.07 0.40 -0.34 0.00 0.00 178.44 178.09 2kk6 h ILE 87 N -0.56 0.93 -0.39 4.05 1.08 -1.28 -2.72 117.51 118.61 2kk6 h ILE 87 Ca 0.03 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.27 2kk6 h ILE 87 Cb 0.60 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 2kk6 h ILE 87 CO -0.21 0.06 0.19 -0.78 -0.69 0.00 0.00 178.15 176.73 2kk6 h ASP 88 N -0.31 0.28 0.00 1.72 3.58 -1.04 -0.66 116.42 119.98 2kk6 h ASP 88 Ca -0.02 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2kk6 h ASP 88 Cb 0.25 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2kk6 h ASP 88 CO 0.03 0.20 -0.17 -0.74 -2.88 0.00 0.00 179.24 175.68 2kk6 h HIS 89 N 0.39 0.35 -0.05 0.28 2.76 -0.79 0.19 115.15 118.27 2kk6 h HIS 89 Ca 0.17 -0.05 -0.22 0.00 -2.20 0.00 0.00 60.37 58.07 2kk6 h HIS 89 Cb 0.08 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2kk6 h HIS 89 CO -0.10 0.48 -0.86 0.45 -1.30 0.00 0.00 177.93 176.60 2kk6 h HIS 90 N 0.30 0.74 -0.19 5.26 3.86 -1.19 -2.68 115.15 121.25 2kk6 h HIS 90 Ca 0.06 -0.36 -0.02 0.00 -1.16 0.00 0.00 60.37 58.88 2kk6 h HIS 90 Cb 0.48 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2kk6 h HIS 90 CO 0.01 1.17 0.03 -0.92 0.86 0.00 0.00 177.93 179.07 2kk6 h TYR 91 N 0.33 0.34 0.24 2.45 3.20 -0.36 -1.04 116.97 122.12 2kk6 h TYR 91 Ca -0.07 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2kk6 h TYR 91 Cb 1.47 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.65 2kk6 h TYR 91 CO 0.07 0.47 -0.12 1.79 -1.64 0.00 0.00 178.16 178.73 2kk6 h THR 92 N 0.11 0.82 0.00 1.81 1.35 -0.76 -2.93 112.91 113.31 2kk6 h THR 92 Ca 0.06 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2kk6 h THR 92 Cb 0.32 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2kk6 h THR 92 CO 0.00 0.10 0.00 0.35 -0.25 0.00 0.00 175.52 175.72 2kk6 n THR 93 N -5.13 0.86 -2.42 6.82 -2.24 -1.01 -4.88 114.28 106.28 2kk6 n THR 93 Ca -0.09 0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.84 2kk6 n THR 93 Cb 0.22 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 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 -2.25 -1.80 -3.33 -0.78 3.00 -0.46 -5.01 118.16 107.53 2kk6 n LYS 94 Ca 0.01 0.74 -0.23 0.00 -0.00 0.00 0.00 58.31 58.83 2kk6 n LYS 94 Cb 0.20 -5.10 -0.01 0.00 0.00 0.00 0.00 35.03 30.12 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 -4.92 3.34 0.81 1.64 -1.52 -0.83 -4.93 119.66 113.25 2kk6 s GLN 95 Ca 0.05 -0.47 -0.11 0.00 -1.95 0.00 0.00 55.36 52.88 2kk6 s GLN 95 Cb -0.02 -2.67 0.08 0.00 -0.22 0.00 0.00 33.01 30.18 2kk6 s GLN 95 CO 0.06 0.06 1.11 0.14 -0.25 0.00 0.00 175.29 176.41 2kk6 s VAL 96 N -2.34 2.90 -0.16 1.09 -7.23 -1.26 -4.39 120.40 109.01 2kk6 s VAL 96 Ca 0.42 0.31 -0.15 0.00 -1.81 0.00 0.00 61.98 60.75 2kk6 s VAL 96 Cb -0.10 -2.66 -0.12 0.00 0.56 0.00 0.00 36.38 34.07 2kk6 s VAL 96 CO 0.35 -0.37 0.11 0.40 -0.31 0.00 0.00 175.10 175.29 2kk6 h ILE 97 N -1.24 0.57 -3.60 -0.62 1.08 -1.16 -3.48 117.51 109.06 2kk6 h ILE 97 Ca -0.44 -1.61 -0.39 0.00 -0.39 0.00 0.00 64.86 62.03 2kk6 h ILE 97 Cb 1.25 1.26 -0.32 0.00 -3.07 0.00 0.00 36.82 35.93 2kk6 h ILE 97 CO 0.48 0.19 -0.77 0.42 -0.69 0.00 0.00 178.15 177.79 2kk6 s THR 98 N -2.19 0.51 -0.10 -0.27 -4.23 -1.26 -3.85 115.64 104.25 2kk6 s THR 98 Ca -0.19 -0.16 0.29 0.00 -1.18 0.00 0.00 61.69 60.46 2kk6 s THR 98 Cb 0.03 -0.51 0.31 0.00 1.34 0.00 0.00 72.50 73.67 2kk6 s THR 98 CO 0.39 0.20 1.87 0.11 -0.54 0.00 0.00 174.62 176.65 2kk6 h LYS 99 N 6.83 0.00 -0.96 3.99 1.79 -1.95 0.23 116.57 126.50 2kk6 h LYS 99 Ca -0.36 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.13 2kk6 h LYS 99 Cb 1.16 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.76 2kk6 h LYS 99 CO 0.48 0.00 0.64 0.87 -1.08 0.00 0.00 179.45 180.36 2kk6 h LYS 100 N 0.00 1.23 0.00 3.15 1.79 -2.02 -3.31 116.57 117.41 2kk6 h LYS 100 Ca 0.00 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 2kk6 h LYS 100 Cb 0.28 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2kk6 h LYS 100 CO 0.00 0.81 -1.44 0.43 -1.08 0.00 0.00 179.45 178.18 2kk6 n SER 101 N -4.44 3.04 -2.34 0.86 7.64 -0.91 -5.03 113.62 112.43 2kk6 n SER 101 Ca 0.12 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.84 2kk6 n SER 101 Cb 0.05 1.20 0.04 0.00 -1.01 0.00 0.00 64.21 64.48 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 2.15 -0.13 3.85 0.23 0.00 0.77 -5.01 105.19 107.05 2kk6 n GLY 102 Ca -0.05 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2kk6 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk6 s VAL 103 N -3.07 5.37 0.19 1.61 1.01 -1.26 -4.95 120.40 119.31 2kk6 s VAL 103 Ca 0.28 0.39 0.10 0.00 0.00 0.00 0.00 61.98 62.75 2kk6 s VAL 103 Cb -0.12 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2kk6 s VAL 103 CO 0.35 0.59 -0.14 -0.69 0.00 0.00 0.00 175.10 175.21 2kk6 s VAL 104 N -0.88 2.93 -0.21 2.92 1.01 -1.26 -0.50 120.40 124.41 2kk6 s VAL 104 Ca 0.17 -1.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.16 2kk6 s VAL 104 Cb -0.13 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2kk6 s VAL 104 CO 0.06 -0.13 0.56 -0.76 0.00 0.00 0.00 175.10 174.83 2kk6 s LEU 105 N -2.83 4.13 0.00 3.92 1.43 -1.26 -4.91 118.68 119.16 2kk6 s LEU 105 Ca 0.24 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 53.99 2kk6 s LEU 105 Cb -0.08 -2.77 -0.00 0.00 0.03 0.00 0.00 46.19 43.37 2kk6 s LEU 105 CO 0.14 -0.24 0.11 -1.48 0.23 0.00 0.00 176.35 175.11 2kk6 s LEU 106 N 1.88 1.67 -0.07 1.79 2.34 -1.25 -4.72 118.68 120.31 2kk6 s LEU 106 Ca 0.25 -0.22 -0.03 0.00 0.06 0.00 0.00 54.13 54.20 2kk6 s LEU 106 Cb -0.16 0.56 0.00 0.00 -0.56 0.00 0.00 46.19 46.04 2kk6 s LEU 106 CO 0.10 -0.33 0.05 -0.46 -1.06 0.00 0.00 176.35 174.65 2kk6 n ASN 107 N 1.62 -6.68 -4.82 1.48 6.94 -1.26 -3.79 115.26 108.74 2kk6 n ASN 107 Ca -0.22 0.49 -0.32 0.00 -0.02 0.00 0.00 54.58 54.51 2kk6 n ASN 107 Cb 0.56 -2.08 0.01 0.00 -2.36 0.00 0.00 39.78 35.90 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2kk6 s PRO 108 N -1.20 3.40 -0.26 -0.53 0.04 -1.26 -3.88 135.00 131.31 2kk6 s PRO 108 Ca 0.03 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.02 2kk6 s PRO 108 Cb -0.00 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2kk6 s PRO 108 CO 0.17 -0.73 0.15 0.42 0.04 0.00 0.00 177.00 177.05 2kk6 s ILE 109 N -2.69 5.10 0.61 0.56 -1.09 -1.21 -4.91 121.20 117.57 2kk6 s ILE 109 Ca 0.60 0.10 -0.18 0.00 -2.23 0.00 0.00 60.65 58.94 2kk6 s ILE 109 Cb -0.14 -3.40 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 2kk6 s ILE 109 CO 0.41 0.30 0.86 -0.81 -1.23 0.00 0.00 174.94 174.48 2kk6 n PRO 110 N 4.75 0.76 -3.79 2.79 -0.04 -1.26 -3.96 135.00 134.26 2kk6 n PRO 110 Ca -0.15 0.30 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 2kk6 n PRO 110 Cb 0.52 -2.07 -0.03 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.67 3.48 -0.13 0.54 0.00 0.29 -4.92 119.74 116.33 2kk6 s LYS 111 Ca 0.75 -0.48 -0.29 0.00 0.00 0.00 0.00 55.97 55.95 2kk6 s LYS 111 Cb -0.41 -2.88 -0.04 0.00 0.00 0.00 0.00 37.83 34.50 2kk6 s LYS 111 CO 0.48 0.43 1.56 -0.51 0.00 0.00 0.00 175.35 177.31 2kk6 s ASP 112 N -3.34 6.65 0.00 0.03 1.11 -1.26 -4.88 116.67 114.97 2kk6 s ASP 112 Ca 0.37 1.94 0.31 0.00 0.18 0.00 0.00 52.55 55.35 2kk6 s ASP 112 Cb -0.11 -2.53 1.73 0.00 1.07 0.00 0.00 42.92 43.08 2kk6 s ASP 112 CO 0.29 -0.98 2.14 0.29 1.18 0.00 0.00 175.17 178.09 2kk6 n LYS 113 N 7.17 0.93 -1.94 8.23 4.76 -1.26 -4.75 118.16 131.29 2kk6 n LYS 113 Ca 0.17 -0.09 -0.24 0.00 -2.87 0.00 0.00 58.31 55.28 2kk6 n LYS 113 Cb 0.44 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.14 2.34 0.00 1.97 1.02 -1.26 -4.76 119.74 116.91 2kk6 s LYS 114 Ca 0.42 -0.15 0.17 0.00 0.02 0.00 0.00 55.97 56.44 2kk6 s LYS 114 Cb 0.21 -5.01 0.93 0.00 -0.52 0.00 0.00 37.83 33.45 2kk6 s LYS 114 CO 0.39 -3.63 1.47 -2.67 -0.92 0.00 0.00 175.35 169.99 2kk6 n TRP 115 N 15.02 0.00 1.83 3.18 4.27 -1.26 -5.25 117.44 135.23 2kk6 n TRP 115 Ca 0.42 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 54.18 2kk6 n TRP 115 Cb 0.46 -0.16 0.80 0.00 -1.36 0.00 0.00 31.31 31.05 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -2.29 0.00 0.00 177.69 175.84