#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 0.77 3.55 -5.12 0.00 -1.26 -4.89 105.19 98.24 2kk6 n GLY 2 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 2kk6 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kk6 s HIS 3 N 0.00 -1.30 -1.01 1.61 5.65 -1.26 -5.11 115.29 113.87 2kk6 s HIS 3 Ca 0.00 2.16 -0.18 0.00 0.25 0.00 0.00 55.06 57.30 2kk6 s HIS 3 Cb 0.00 0.72 0.14 0.00 -1.18 0.00 0.00 32.58 32.25 2kk6 s HIS 3 CO 0.00 -0.67 1.22 -1.58 -0.65 0.00 0.00 174.74 173.06 2kk6 s HIS 4 N 2.86 3.19 -0.24 3.88 2.46 -1.26 -4.93 115.29 121.25 2kk6 s HIS 4 Ca -0.03 -1.56 -0.08 0.00 0.47 0.00 0.00 55.06 53.86 2kk6 s HIS 4 Cb -0.12 -4.31 0.11 0.00 -0.13 0.00 0.00 32.58 28.13 2kk6 s HIS 4 CO -0.18 -1.48 0.50 -1.58 -2.47 0.00 0.00 174.74 169.53 2kk6 s HIS 5 N 2.49 -1.00 0.28 3.88 5.65 -1.26 -5.17 115.29 120.16 2kk6 s HIS 5 Ca 0.36 1.82 0.06 0.00 0.25 0.00 0.00 55.06 57.55 2kk6 s HIS 5 Cb -0.04 0.49 -0.02 0.00 -1.18 0.00 0.00 32.58 31.83 2kk6 s HIS 5 CO -0.07 -0.55 0.41 -1.01 -0.65 0.00 0.00 174.74 172.87 2kk6 s HIS 6 N 2.72 3.29 0.35 3.88 0.09 -1.26 -5.11 115.29 119.25 2kk6 s HIS 6 Ca -0.03 -0.11 -0.26 0.00 -0.00 0.00 0.00 55.06 54.66 2kk6 s HIS 6 Cb -0.12 -1.76 -0.10 0.00 -0.00 0.00 0.00 32.58 30.60 2kk6 s HIS 6 CO -0.15 0.23 0.99 -1.01 -0.00 0.00 0.00 174.74 174.81 2kk6 s HIS 7 N -2.07 3.52 -0.17 1.40 4.02 -1.26 -5.07 115.29 115.67 2kk6 s HIS 7 Ca 0.39 1.72 -0.31 0.00 1.02 0.00 0.00 55.06 57.88 2kk6 s HIS 7 Cb -0.09 -3.02 0.14 0.00 -1.02 0.00 0.00 32.58 28.58 2kk6 s HIS 7 CO 0.30 -0.16 1.13 -3.38 1.02 0.00 0.00 174.74 173.65 2kk6 s HIS 8 N -1.60 -0.22 0.00 1.40 -3.43 -1.26 -5.06 115.29 105.12 2kk6 s HIS 8 Ca 0.53 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 55.05 2kk6 s HIS 8 Cb -0.21 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 2kk6 s HIS 8 CO 0.26 -0.26 0.00 0.45 -2.00 0.00 0.00 174.74 173.19 2kk6 n SER 9 N 0.26 0.00 -4.73 7.38 2.88 -1.26 -4.79 113.62 113.35 2kk6 n SER 9 Ca -0.04 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.09 2kk6 n SER 9 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 2kk6 n SER 9 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2kk6 s HIS 10 N 0.00 3.55 0.14 0.66 5.65 -1.26 -5.02 115.29 119.02 2kk6 s HIS 10 Ca 0.00 1.54 -0.25 0.00 0.25 0.00 0.00 55.06 56.60 2kk6 s HIS 10 Cb 0.00 -3.31 -0.07 0.00 -1.18 0.00 0.00 32.58 28.02 2kk6 s HIS 10 CO 0.00 -0.75 0.78 1.41 -0.65 0.00 0.00 174.74 175.54 2kk6 s MET 11 N -0.10 4.56 0.21 2.88 1.75 -1.26 -5.07 119.30 122.28 2kk6 s MET 11 Ca 0.51 1.16 -0.23 0.00 -1.25 0.00 0.00 55.69 55.88 2kk6 s MET 11 Cb -0.29 -3.29 -0.08 0.00 2.84 0.00 0.00 34.83 34.00 2kk6 s MET 11 CO 0.34 0.50 0.78 0.15 -0.65 0.00 0.00 175.02 176.13 2kk6 s LYS 12 N -0.87 4.45 0.99 4.11 -0.14 -1.26 -5.08 119.74 121.94 2kk6 s LYS 12 Ca 0.37 1.07 -0.11 0.00 -1.36 0.00 0.00 55.97 55.93 2kk6 s LYS 12 Cb -0.23 -3.05 0.18 0.00 -1.68 0.00 0.00 37.83 33.06 2kk6 s LYS 12 CO 0.26 0.46 1.09 -1.25 -0.76 0.00 0.00 175.35 175.15 2kk6 s PRO 13 N -1.59 0.47 0.25 -1.68 0.04 -1.26 -4.77 135.00 126.45 2kk6 s PRO 13 Ca 0.40 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 2kk6 s PRO 13 Cb -0.20 -1.70 0.44 0.00 0.04 0.00 0.00 34.50 33.09 2kk6 s PRO 13 CO 0.24 -2.86 1.76 1.25 0.04 0.00 0.00 177.00 177.44 2kk6 h LEU 14 N -2.01 0.47 -2.32 -3.56 5.85 -1.98 0.18 115.31 111.95 2kk6 h LEU 14 Ca -0.51 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 2kk6 h LEU 14 Cb 1.29 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 2kk6 h LEU 14 CO 0.49 0.22 -0.02 0.00 -0.34 0.00 0.00 178.44 178.79 2kk6 h ALA 15 N 1.51 1.06 -0.39 1.25 0.00 -1.95 -1.91 119.26 118.82 2kk6 h ALA 15 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2kk6 h ALA 15 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kk6 h ALA 15 CO -0.33 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.33 2kk6 n GLU 16 N -3.19 2.48 -2.94 0.00 -0.58 0.61 -4.91 120.64 112.12 2kk6 n GLU 16 Ca -0.02 -2.24 -0.41 0.00 -0.42 0.00 0.00 57.16 54.07 2kk6 n GLU 16 Cb 0.17 -1.51 -0.04 0.00 -0.57 0.00 0.00 31.44 29.49 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 -1.49 4.42 0.46 3.49 -1.52 -0.72 -4.85 119.66 119.44 2kk6 s GLN 17 Ca 0.39 1.02 0.18 0.00 -1.95 0.00 0.00 55.36 55.00 2kk6 s GLN 17 Cb 0.23 -3.49 1.08 0.00 -0.22 0.00 0.00 33.01 30.61 2kk6 s GLN 17 CO 0.32 -0.07 1.99 0.38 -0.25 0.00 0.00 175.29 177.66 2kk6 h ASP 18 N 6.93 0.00 0.38 5.90 2.03 -1.91 -1.19 116.42 128.56 2kk6 h ASP 18 Ca -0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2kk6 h ASP 18 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2kk6 h ASP 18 CO 0.78 0.20 0.00 -2.67 -1.03 0.00 0.00 179.24 176.51 2kk6 n TRP 19 N -4.11 0.00 -3.47 4.15 4.27 -1.26 -1.25 117.44 115.78 2kk6 n TRP 19 Ca -0.02 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.20 2kk6 n TRP 19 Cb 0.27 -0.20 -0.10 0.00 -1.36 0.00 0.00 31.31 29.92 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 -2.39 3.23 -0.51 -2.67 5.04 -0.45 -0.89 117.35 118.71 2kk6 s TYR 20 Ca 0.33 0.18 0.14 0.00 -2.44 0.00 0.00 57.07 55.28 2kk6 s TYR 20 Cb 0.20 -2.53 0.42 0.00 0.35 0.00 0.00 41.96 40.40 2kk6 s TYR 20 CO 0.42 -0.26 1.34 0.72 -1.34 0.00 0.00 175.55 176.42 2kk6 n HIS 21 N 5.24 0.70 -4.03 4.97 8.25 -1.04 -4.73 115.22 124.58 2kk6 n HIS 21 Ca -0.11 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.65 2kk6 n HIS 21 Cb 0.51 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 -0.07 -1.26 2.82 -1.41 0.00 -1.26 -4.38 105.19 99.64 2kk6 n GLY 22 Ca 0.16 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 2.47 5.56 -2.35 4.61 0.00 -1.26 -1.14 120.51 128.40 2kk6 n ALA 23 Ca 0.00 -4.35 -0.33 0.00 0.00 0.00 0.00 53.44 48.76 2kk6 n ALA 23 Cb 0.00 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 16.53 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 -0.27 4.86 1.19 0.00 -4.36 -1.25 -4.56 121.20 116.80 2kk6 s ILE 24 Ca 0.40 0.70 -0.14 0.00 -0.26 0.00 0.00 60.65 61.35 2kk6 s ILE 24 Cb 0.10 -3.67 0.29 0.00 1.25 0.00 0.00 42.46 40.43 2kk6 s ILE 24 CO 0.00 0.05 1.02 -2.84 0.24 0.00 0.00 174.94 173.42 2kk6 s PRO 25 N -2.47 -1.09 0.09 0.37 0.02 -1.26 -4.36 135.00 126.30 2kk6 s PRO 25 Ca 0.44 0.62 -0.28 0.00 0.02 0.00 0.00 61.00 61.80 2kk6 s PRO 25 Cb -0.13 -1.55 -0.14 0.00 0.02 0.00 0.00 34.50 32.70 2kk6 s PRO 25 CO 0.20 -3.78 1.66 -0.09 -0.33 0.00 0.00 177.00 174.66 2kk6 h ARG 26 N -2.65 -0.50 -0.40 5.54 2.43 -1.96 -2.49 114.38 114.35 2kk6 h ARG 26 Ca -0.59 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2kk6 h ARG 26 Cb 1.34 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.98 2kk6 h ARG 26 CO 0.49 -0.33 0.26 0.82 -1.51 0.00 0.00 179.97 179.70 2kk6 h ILE 27 N -0.51 1.11 -0.95 1.20 2.04 -1.99 -1.93 117.51 116.47 2kk6 h ILE 27 Ca -0.02 -0.21 0.17 0.00 1.00 0.00 0.00 64.86 65.79 2kk6 h ILE 27 Cb 0.44 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 2kk6 h ILE 27 CO 0.00 0.11 0.60 -0.33 0.00 0.00 0.00 178.15 178.53 2kk6 h GLU 28 N 0.55 0.69 -0.02 2.37 4.39 -1.91 -0.61 114.58 120.04 2kk6 h GLU 28 Ca 0.15 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 2kk6 h GLU 28 Cb -0.05 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 2kk6 h GLU 28 CO -0.03 0.46 -0.05 0.00 -1.16 0.00 0.00 179.01 178.23 2kk6 h ALA 29 N 1.60 0.04 0.00 3.43 0.00 -0.93 -3.30 119.26 120.10 2kk6 h ALA 29 Ca 0.50 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2kk6 h ALA 29 Cb 0.82 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kk6 h ALA 29 CO -0.26 -0.14 -0.33 -0.56 0.00 0.00 0.00 179.25 177.96 2kk6 h GLN 30 N -0.47 0.00 -0.90 0.00 -0.00 -0.99 -3.06 115.11 109.69 2kk6 h GLN 30 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 2kk6 h GLN 30 Cb 0.62 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.06 2kk6 h GLN 30 CO 0.01 0.33 0.60 0.93 -0.00 0.00 0.00 178.83 180.70 2kk6 h GLU 31 N 0.00 1.17 0.00 0.06 4.39 -1.20 -3.08 114.58 115.92 2kk6 h GLU 31 Ca -0.00 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 2kk6 h GLU 31 Cb 0.69 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2kk6 h GLU 31 CO 0.04 0.78 -0.99 1.37 -1.16 0.00 0.00 179.01 179.05 2kk6 h LEU 32 N 1.21 0.00 -8.61 1.33 8.10 -1.64 -3.43 115.31 112.27 2kk6 h LEU 32 Ca 0.34 0.00 -0.49 0.00 0.11 0.00 0.00 57.88 57.84 2kk6 h LEU 32 Cb -0.12 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.10 2kk6 h LEU 32 CO -0.08 0.87 1.62 0.18 -4.11 0.00 0.00 178.44 176.92 2kk6 n LEU 33 N -3.27 2.27 0.00 0.17 4.77 -1.17 -4.75 117.00 115.02 2kk6 n LEU 33 Ca -0.02 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2kk6 n LEU 33 Cb 0.90 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2kk6 n LEU 33 CO 0.45 -1.36 0.18 2.29 -1.33 0.00 0.00 177.39 177.62 2kk6 n LYS 34 N 8.90 -0.50 -3.77 3.23 2.85 -1.26 -4.98 118.16 122.63 2kk6 n LYS 34 Ca 0.39 -0.38 -0.11 0.00 -1.05 0.00 0.00 58.31 57.16 2kk6 n LYS 34 Cb 0.48 -0.83 -0.07 0.00 -0.65 0.00 0.00 35.03 33.96 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 -0.04 0.85 -0.21 -1.58 -2.85 -1.26 -5.07 119.74 109.58 2kk6 s LYS 35 Ca 0.00 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 54.03 2kk6 s LYS 35 Cb 0.00 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 2kk6 s LYS 35 CO 0.00 -0.28 1.93 -1.14 0.10 0.00 0.00 175.35 175.96 2kk6 s GLN 36 N -3.06 3.48 0.00 1.78 2.00 -1.26 -1.11 119.66 121.49 2kk6 s GLN 36 Ca -0.01 1.87 0.00 0.00 -2.00 0.00 0.00 55.36 55.21 2kk6 s GLN 36 Cb 0.01 -4.22 0.00 0.00 0.80 0.00 0.00 33.01 29.60 2kk6 s GLN 36 CO -0.07 -1.69 0.00 0.41 -0.50 0.00 0.00 175.29 173.44 2kk6 n GLY 37 N 5.25 2.55 3.68 2.59 0.00 -0.51 -4.98 105.19 113.77 2kk6 n GLY 37 Ca 0.24 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.74 2kk6 n GLY 37 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kk6 n ASP 38 N 0.00 2.79 -3.74 1.61 -0.08 -0.27 -3.73 116.55 113.13 2kk6 n ASP 38 Ca 0.00 1.04 -0.12 0.00 -1.51 0.00 0.00 54.79 54.21 2kk6 n ASP 38 Cb 0.00 -1.28 -0.07 0.00 2.34 0.00 0.00 41.12 42.11 2kk6 n ASP 38 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2kk6 s PHE 39 N 2.94 -0.12 0.03 -0.67 -0.71 -1.26 -0.24 117.98 117.94 2kk6 s PHE 39 Ca 0.91 -0.00 -0.17 0.00 -1.04 0.00 0.00 56.93 56.63 2kk6 s PHE 39 Cb -0.85 0.11 0.03 0.00 -1.21 0.00 0.00 43.02 41.10 2kk6 s PHE 39 CO 0.54 -0.51 0.37 -0.48 -1.34 0.00 0.00 175.22 173.80 2kk6 s LEU 40 N -2.05 0.59 -0.19 -1.99 2.34 -0.51 -3.44 118.68 113.42 2kk6 s LEU 40 Ca -0.05 -0.01 -0.07 0.00 0.06 0.00 0.00 54.13 54.06 2kk6 s LEU 40 Cb -0.01 1.56 -0.04 0.00 -0.56 0.00 0.00 46.19 47.15 2kk6 s LEU 40 CO -0.03 -0.60 0.05 -0.69 -1.06 0.00 0.00 176.35 174.02 2kk6 s VAL 41 N -2.20 4.63 0.18 1.48 1.01 -0.07 -1.59 120.40 123.85 2kk6 s VAL 41 Ca -0.07 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2kk6 s VAL 41 Cb -0.02 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2kk6 s VAL 41 CO -0.01 0.45 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 2kk6 s ARG 42 N 0.53 1.19 0.13 2.72 1.70 -0.75 -2.49 118.95 121.97 2kk6 s ARG 42 Ca 0.02 -1.55 -0.07 0.00 -0.47 0.00 0.00 55.73 53.67 2kk6 s ARG 42 Cb -0.13 -0.66 -0.06 0.00 -0.57 0.00 0.00 34.95 33.53 2kk6 s ARG 42 CO 0.01 0.02 0.40 -2.00 -1.08 0.00 0.00 175.30 172.65 2kk6 s GLU 43 N -3.78 3.68 -0.17 3.89 2.12 -0.29 -0.05 118.70 124.10 2kk6 s GLU 43 Ca 0.22 0.03 -0.29 0.00 0.36 0.00 0.00 54.97 55.29 2kk6 s GLU 43 Cb 0.03 -2.88 -0.05 0.00 0.26 0.00 0.00 34.13 31.50 2kk6 s GLU 43 CO 0.04 0.48 1.86 0.45 -0.54 0.00 0.00 175.26 177.56 2kk6 s SER 44 N -2.20 6.13 -0.96 -1.70 0.15 0.13 -3.81 113.70 111.43 2kk6 s SER 44 Ca 0.39 1.92 -0.24 0.00 0.70 0.00 0.00 55.95 58.71 2kk6 s SER 44 Cb -0.13 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.61 2kk6 s SER 44 CO 0.22 -1.42 1.93 -2.28 1.20 0.00 0.00 173.24 172.89 2kk6 s HIS 45 N 5.94 1.87 0.00 3.44 2.46 -1.26 -1.20 115.29 126.53 2kk6 s HIS 45 Ca 0.83 0.53 0.00 0.00 0.47 0.00 0.00 55.06 56.90 2kk6 s HIS 45 Cb -0.31 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.08 2kk6 s HIS 45 CO 0.34 -1.64 0.00 0.41 -2.47 0.00 0.00 174.74 171.37 2kk6 n GLY 46 N 6.64 1.27 2.68 1.59 0.00 -1.26 -4.97 105.19 111.14 2kk6 n GLY 46 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 2kk6 n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kk6 s LYS 47 N 0.00 1.46 0.32 1.61 2.47 -0.34 -5.12 119.74 120.14 2kk6 s LYS 47 Ca 0.00 -2.33 -0.28 0.00 -1.56 0.00 0.00 55.97 51.80 2kk6 s LYS 47 Cb 0.00 -2.37 -0.13 0.00 -1.46 0.00 0.00 37.83 33.88 2kk6 s LYS 47 CO 0.00 -1.24 1.28 -2.30 0.16 0.00 0.00 175.35 173.25 2kk6 n PRO 48 N 3.03 2.04 0.00 4.03 -0.02 -1.26 -2.28 135.00 140.55 2kk6 n PRO 48 Ca 0.16 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2kk6 n PRO 48 Cb 0.38 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.99 2.90 3.54 -1.23 0.00 -1.26 -5.00 105.19 105.13 2kk6 n GLY 49 Ca 0.06 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 3.29 -0.17 1.61 2.12 -0.97 -4.97 118.70 119.61 2kk6 s GLU 50 Ca 0.00 -0.55 -0.18 0.00 0.36 0.00 0.00 54.97 54.60 2kk6 s GLU 50 Cb 0.00 -4.48 -0.04 0.00 0.26 0.00 0.00 34.13 29.87 2kk6 s GLU 50 CO 0.00 -2.12 0.48 0.71 -0.54 0.00 0.00 175.26 173.79 2kk6 s TYR 51 N 5.31 3.42 -0.19 5.30 1.51 -1.26 0.19 117.35 131.63 2kk6 s TYR 51 Ca 0.36 0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 57.18 2kk6 s TYR 51 Cb -0.07 -2.60 -0.01 0.00 -0.11 0.00 0.00 41.96 39.17 2kk6 s TYR 51 CO 0.08 0.01 -0.06 0.08 -1.11 0.00 0.00 175.55 174.55 2kk6 s VAL 52 N 1.21 3.39 0.03 0.71 1.01 0.93 -0.87 120.40 126.82 2kk6 s VAL 52 Ca 0.24 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 2kk6 s VAL 52 Cb -0.15 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 2kk6 s VAL 52 CO 0.09 0.45 0.65 -0.22 0.00 0.00 0.00 175.10 176.08 2kk6 s LEU 53 N 1.07 4.45 -0.09 3.92 2.96 0.78 -1.81 118.68 129.97 2kk6 s LEU 53 Ca 0.01 1.29 0.01 0.00 -0.22 0.00 0.00 54.13 55.21 2kk6 s LEU 53 Cb -0.15 -3.03 0.02 0.00 0.50 0.00 0.00 46.19 43.54 2kk6 s LEU 53 CO -0.00 0.11 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.60 2kk6 s SER 54 N -0.36 1.95 0.04 3.68 0.01 -0.62 -0.36 113.70 118.03 2kk6 s SER 54 Ca 0.33 -0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.31 2kk6 s SER 54 Cb -0.19 -0.82 -0.02 0.00 0.21 0.00 0.00 66.02 65.19 2kk6 s SER 54 CO 0.20 -0.05 -0.06 0.54 0.41 0.00 0.00 173.24 174.28 2kk6 s VAL 55 N 1.19 0.41 -0.51 3.43 0.11 -0.86 -1.43 120.40 122.75 2kk6 s VAL 55 Ca -0.05 -1.04 -0.17 0.00 -2.93 0.00 0.00 61.98 57.80 2kk6 s VAL 55 Cb -0.14 -0.51 0.09 0.00 -1.53 0.00 0.00 36.38 34.28 2kk6 s VAL 55 CO -0.02 -0.42 0.49 -0.47 -3.33 0.00 0.00 175.10 171.34 2kk6 s TYR 56 N -1.43 3.19 0.01 1.54 5.04 0.67 -0.09 117.35 126.29 2kk6 s TYR 56 Ca -0.12 -0.96 0.03 0.00 -2.44 0.00 0.00 57.07 53.58 2kk6 s TYR 56 Cb -0.10 -3.47 -0.01 0.00 0.35 0.00 0.00 41.96 38.73 2kk6 s TYR 56 CO -0.00 -0.94 -0.08 -1.54 -1.34 0.00 0.00 175.55 171.65 2kk6 s SER 57 N 2.97 0.96 -0.25 4.32 1.04 -0.28 -1.42 113.70 121.04 2kk6 s SER 57 Ca 0.06 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2kk6 s SER 57 Cb -0.25 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2kk6 s SER 57 CO 0.06 0.01 0.00 0.47 0.98 0.00 0.00 173.24 174.77 2kk6 n ASP 58 N 2.44 -4.88 0.00 7.02 8.00 -1.26 -0.61 116.55 127.25 2kk6 n ASP 58 Ca -0.16 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2kk6 n ASP 58 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.07 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 -0.58 0.52 3.34 0.44 0.00 -1.26 -5.05 105.19 102.60 2kk6 n GLY 59 Ca -0.02 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.62 1.30 -0.50 1.61 -0.21 0.22 -5.11 119.66 116.35 2kk6 s GLN 60 Ca 0.00 -1.46 -0.24 0.00 0.02 0.00 0.00 55.36 53.67 2kk6 s GLN 60 Cb 0.00 -1.28 0.03 0.00 1.00 0.00 0.00 33.01 32.77 2kk6 s GLN 60 CO 0.00 0.25 0.90 1.03 -2.12 0.00 0.00 175.29 175.35 2kk6 s ARG 61 N -3.04 3.42 0.32 2.91 3.00 -1.26 -1.13 118.95 123.17 2kk6 s ARG 61 Ca 0.18 -0.07 -0.21 0.00 0.00 0.00 0.00 55.73 55.63 2kk6 s ARG 61 Cb -0.04 -3.98 -0.09 0.00 0.00 0.00 0.00 34.95 30.83 2kk6 s ARG 61 CO 0.07 -1.31 0.84 1.03 0.00 0.00 0.00 175.30 175.93 2kk6 s ARG 62 N 3.75 4.28 -0.09 3.54 1.81 0.88 -4.94 118.95 128.17 2kk6 s ARG 62 Ca 0.33 1.01 -0.02 0.00 -1.72 0.00 0.00 55.73 55.33 2kk6 s ARG 62 Cb -0.11 -2.59 0.03 0.00 -0.45 0.00 0.00 34.95 31.83 2kk6 s ARG 62 CO 0.23 0.21 0.01 -1.01 -0.68 0.00 0.00 175.30 174.06 2kk6 s HIS 63 N -1.81 0.65 -0.22 -0.53 3.76 -1.26 -2.02 115.29 113.86 2kk6 s HIS 63 Ca 0.52 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 2kk6 s HIS 63 Cb -0.14 -0.81 0.03 0.00 1.11 0.00 0.00 32.58 32.77 2kk6 s HIS 63 CO 0.19 -0.37 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.52 2kk6 s PHE 64 N 1.98 2.99 -0.10 1.40 0.08 0.51 -4.96 117.98 119.88 2kk6 s PHE 64 Ca 0.04 -1.74 -0.23 0.00 0.12 0.00 0.00 56.93 55.12 2kk6 s PHE 64 Cb -0.13 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 2kk6 s PHE 64 CO -0.06 -0.79 0.68 0.42 -0.10 0.00 0.00 175.22 175.37 2kk6 s ILE 65 N 1.27 5.05 -0.16 0.64 1.01 -1.26 -0.16 121.20 127.59 2kk6 s ILE 65 Ca 0.00 1.37 -0.27 0.00 0.00 0.00 0.00 60.65 61.75 2kk6 s ILE 65 Cb -0.16 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 2kk6 s ILE 65 CO -0.08 0.23 0.93 -0.63 0.00 0.00 0.00 174.94 175.39 2kk6 s ILE 66 N 1.02 4.81 -0.13 2.92 1.01 -0.05 -4.81 121.20 125.97 2kk6 s ILE 66 Ca 0.35 1.85 -0.21 0.00 0.00 0.00 0.00 60.65 62.64 2kk6 s ILE 66 Cb -0.17 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 2kk6 s ILE 66 CO 0.16 -0.02 0.59 -1.10 0.00 0.00 0.00 174.94 174.57 2kk6 s GLN 67 N 2.32 4.33 -0.71 2.79 1.11 -0.18 -4.48 119.66 124.83 2kk6 s GLN 67 Ca 0.43 0.63 -0.21 0.00 0.01 0.00 0.00 55.36 56.22 2kk6 s GLN 67 Cb -0.17 -3.49 0.09 0.00 -1.01 0.00 0.00 33.01 28.44 2kk6 s GLN 67 CO 0.13 -0.00 0.93 -0.47 0.01 0.00 0.00 175.29 175.89 2kk6 s TYR 68 N 1.10 2.87 -0.14 0.91 5.04 -1.26 -1.57 117.35 124.30 2kk6 s TYR 68 Ca 0.30 -0.86 0.02 0.00 -2.44 0.00 0.00 57.07 54.09 2kk6 s TYR 68 Cb -0.16 -4.21 0.01 0.00 0.35 0.00 0.00 41.96 37.95 2kk6 s TYR 68 CO 0.13 -1.52 -0.19 0.08 -1.34 0.00 0.00 175.55 172.71 2kk6 s VAL 69 N 3.35 1.90 -1.49 3.14 1.01 -0.08 -4.73 120.40 123.50 2kk6 s VAL 69 Ca 0.22 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 2kk6 s VAL 69 Cb -0.16 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.59 2kk6 s VAL 69 CO 0.04 0.52 1.02 0.47 0.00 0.00 0.00 175.10 177.15 2kk6 n ASP 70 N 4.28 -4.99 -0.47 3.32 8.00 -1.26 -0.80 116.55 124.63 2kk6 n ASP 70 Ca -0.20 -0.73 -0.06 0.00 0.71 0.00 0.00 54.79 54.51 2kk6 n ASP 70 Cb 0.51 -4.14 -0.03 0.00 -0.02 0.00 0.00 41.12 37.45 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 -2.88 -4.73 -4.24 -2.24 3.02 -1.26 -4.99 115.26 97.93 2kk6 n ASN 71 Ca 0.02 0.15 -0.32 0.00 -0.03 0.00 0.00 54.58 54.40 2kk6 n ASN 71 Cb 0.54 -2.77 -0.17 0.00 -0.61 0.00 0.00 39.78 36.77 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 -2.12 2.84 -0.19 3.52 -1.94 0.02 -4.24 119.30 117.19 2kk6 s MET 72 Ca 0.00 -0.89 -0.26 0.00 -1.71 0.00 0.00 55.69 52.83 2kk6 s MET 72 Cb 0.00 -2.24 -0.01 0.00 2.01 0.00 0.00 34.83 34.59 2kk6 s MET 72 CO 0.00 0.26 0.89 0.71 -0.01 0.00 0.00 175.02 176.87 2kk6 s TYR 73 N 0.13 3.39 0.04 -0.03 2.02 0.13 -0.90 117.35 122.12 2kk6 s TYR 73 Ca -0.13 1.30 0.03 0.00 -0.37 0.00 0.00 57.07 57.91 2kk6 s TYR 73 Cb -0.16 -3.09 -0.02 0.00 -0.40 0.00 0.00 41.96 38.29 2kk6 s TYR 73 CO 0.07 -0.32 -0.10 -0.98 -1.57 0.00 0.00 175.55 172.65 2kk6 s ARG 74 N 2.50 0.65 -0.25 -0.62 1.70 -0.61 -1.05 118.95 121.27 2kk6 s ARG 74 Ca 0.40 -0.67 -0.14 0.00 -0.47 0.00 0.00 55.73 54.85 2kk6 s ARG 74 Cb -0.16 -0.55 -0.16 0.00 -0.57 0.00 0.00 34.95 33.52 2kk6 s ARG 74 CO 0.10 0.12 -0.13 1.19 -1.08 0.00 0.00 175.30 175.51 2kk6 n PHE 75 N 1.84 0.38 0.17 5.89 3.72 -1.26 -1.01 117.46 127.19 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 0.55 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.05 2kk6 n PHE 75 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2kk6 n GLU 76 N -4.13 0.00 0.00 -1.08 2.13 -1.26 -4.85 120.64 111.45 2kk6 n GLU 76 Ca -0.46 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.36 2kk6 n GLU 76 Cb 0.85 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.56 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 0.01 0.56 3.77 8.31 0.00 -1.26 -5.03 105.19 111.54 2kk6 n GLY 77 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 2.36 2.89 0.37 2.61 2.01 -1.26 -4.94 115.64 119.68 2kk6 s THR 78 Ca 0.00 0.89 0.07 0.00 0.31 0.00 0.00 61.69 62.96 2kk6 s THR 78 Cb 0.00 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 2kk6 s THR 78 CO 0.00 0.21 0.00 -0.83 -0.69 0.00 0.00 174.62 173.31 2kk6 s GLY 79 N -0.52 2.29 0.03 4.40 0.00 -1.26 -4.70 107.32 107.57 2kk6 s GLY 79 Ca 0.48 -2.18 0.07 0.00 0.00 0.00 0.00 44.72 43.10 2kk6 s GLY 79 CO 0.50 -2.00 -0.21 -1.36 0.00 0.00 0.00 173.10 170.03 2kk6 s PHE 80 N -2.87 1.88 -0.00 1.90 0.40 -0.22 -4.80 117.98 114.27 2kk6 s PHE 80 Ca 0.34 -0.37 0.30 0.00 -0.60 0.00 0.00 56.93 56.60 2kk6 s PHE 80 Cb 0.08 -1.14 1.47 0.00 0.51 0.00 0.00 43.02 43.94 2kk6 s PHE 80 CO 0.17 0.07 1.91 1.03 0.70 0.00 0.00 175.22 179.09 2kk6 h SER 81 N 5.01 0.00 -3.43 1.36 0.87 -1.86 0.37 113.55 115.86 2kk6 h SER 81 Ca -0.42 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.51 2kk6 h SER 81 Cb 1.15 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.78 2kk6 h SER 81 CO 0.45 0.00 -0.86 0.20 -0.53 0.00 0.00 176.83 176.09 2kk6 s ASN 82 N -4.66 2.66 0.14 6.23 0.01 -1.26 -4.64 114.94 113.42 2kk6 s ASN 82 Ca -0.01 -0.47 -0.17 0.00 -0.71 0.00 0.00 52.86 51.50 2kk6 s ASN 82 Cb 0.09 -1.16 0.01 0.00 0.41 0.00 0.00 41.25 40.60 2kk6 s ASN 82 CO 0.36 0.13 1.77 0.40 -1.51 0.00 0.00 177.10 178.25 2kk6 h ILE 83 N 5.72 0.98 -0.55 0.60 2.04 -1.95 -0.14 117.51 124.21 2kk6 h ILE 83 Ca -0.24 -0.11 0.10 0.00 1.00 0.00 0.00 64.86 65.62 2kk6 h ILE 83 Cb 1.22 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 2kk6 h ILE 83 CO 0.47 0.06 0.08 1.55 0.00 0.00 0.00 178.15 180.31 2kk6 h PRO 84 N 0.31 0.20 -0.66 2.37 0.13 -1.96 -0.93 132.00 131.47 2kk6 h PRO 84 Ca 0.13 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 2kk6 h PRO 84 Cb 0.05 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2kk6 h PRO 84 CO -0.10 0.14 0.29 1.96 -0.23 0.00 0.00 178.00 180.05 2kk6 h GLN 85 N 0.21 0.96 0.57 0.86 1.08 -1.86 0.92 115.11 117.85 2kk6 h GLN 85 Ca 0.29 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2kk6 h GLN 85 Cb 0.42 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2kk6 h GLN 85 CO -0.40 0.79 -0.40 1.25 -0.95 0.00 0.00 178.83 179.13 2kk6 h LEU 86 N 0.92 -1.02 0.06 1.46 5.85 -0.33 -0.93 115.31 121.32 2kk6 h LEU 86 Ca 0.22 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 2kk6 h LEU 86 Cb 0.17 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2kk6 h LEU 86 CO -0.02 -0.59 -0.03 0.40 -0.34 0.00 0.00 178.44 177.85 2kk6 h ILE 87 N -0.93 1.17 -0.54 4.05 1.08 -1.17 -2.86 117.51 118.31 2kk6 h ILE 87 Ca -0.07 -0.83 0.03 0.00 -0.39 0.00 0.00 64.86 63.61 2kk6 h ILE 87 Cb 0.77 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 2kk6 h ILE 87 CO 0.04 0.21 0.31 -0.78 -0.69 0.00 0.00 178.15 177.23 2kk6 h ASP 88 N -0.46 0.49 -0.64 1.72 3.58 -0.87 0.22 116.42 120.46 2kk6 h ASP 88 Ca -0.01 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kk6 h ASP 88 Cb 0.40 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 2kk6 h ASP 88 CO 0.01 0.34 0.39 -0.74 -2.88 0.00 0.00 179.24 176.36 2kk6 h HIS 89 N 0.61 0.84 -0.40 0.28 2.76 -1.22 0.53 115.15 118.55 2kk6 h HIS 89 Ca 0.23 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.27 2kk6 h HIS 89 Cb 0.07 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 2kk6 h HIS 89 CO -0.07 0.56 -0.25 0.45 -1.30 0.00 0.00 177.93 177.32 2kk6 h HIS 90 N 0.87 0.95 -0.44 5.26 3.86 -1.20 -1.47 115.15 122.99 2kk6 h HIS 90 Ca 0.23 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2kk6 h HIS 90 Cb -0.04 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 2kk6 h HIS 90 CO -0.02 0.99 0.17 -0.92 0.86 0.00 0.00 177.93 179.01 2kk6 h TYR 91 N 0.72 0.67 -0.13 2.45 3.20 -0.14 0.28 116.97 124.01 2kk6 h TYR 91 Ca 0.09 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 2kk6 h TYR 91 Cb 0.78 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2kk6 h TYR 91 CO 0.04 0.58 -0.26 1.79 -1.64 0.00 0.00 178.16 178.68 2kk6 h THR 92 N 0.56 1.37 0.00 1.81 1.35 -0.90 -3.11 112.91 113.99 2kk6 h THR 92 Ca 0.14 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 2kk6 h THR 92 Cb 0.20 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2kk6 h THR 92 CO -0.01 0.45 0.00 0.35 -0.25 0.00 0.00 175.52 176.06 2kk6 n THR 93 N -4.45 0.41 -2.46 6.82 -2.24 -0.56 -4.91 114.28 106.89 2kk6 n THR 93 Ca -0.07 0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2kk6 n THR 93 Cb 0.45 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.61 -2.04 -2.79 -0.78 3.00 0.89 -4.99 118.16 109.84 2kk6 n LYS 94 Ca 0.06 0.84 -0.27 0.00 -0.00 0.00 0.00 58.31 58.93 2kk6 n LYS 94 Cb 0.29 -5.35 -0.01 0.00 0.00 0.00 0.00 35.03 29.96 2kk6 n LYS 94 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2kk6 s GLN 95 N -5.03 3.57 0.57 1.64 -1.52 -0.70 -4.85 119.66 113.33 2kk6 s GLN 95 Ca 0.06 0.15 -0.16 0.00 -1.95 0.00 0.00 55.36 53.46 2kk6 s GLN 95 Cb -0.03 -2.43 -0.05 0.00 -0.22 0.00 0.00 33.01 30.28 2kk6 s GLN 95 CO 0.07 -0.12 1.03 0.14 -0.25 0.00 0.00 175.29 176.16 2kk6 s VAL 96 N -2.61 4.16 -0.05 1.09 -7.23 -1.26 -4.34 120.40 110.17 2kk6 s VAL 96 Ca 0.47 1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 61.50 2kk6 s VAL 96 Cb -0.10 -3.55 -0.08 0.00 0.56 0.00 0.00 36.38 33.21 2kk6 s VAL 96 CO 0.41 -0.62 0.56 0.40 -0.31 0.00 0.00 175.10 175.54 2kk6 h ILE 97 N 0.56 0.09 -4.14 -0.62 1.08 -1.57 -3.47 117.51 109.44 2kk6 h ILE 97 Ca -0.47 -0.71 -0.45 0.00 -0.39 0.00 0.00 64.86 62.84 2kk6 h ILE 97 Cb 1.20 0.15 -0.29 0.00 -3.07 0.00 0.00 36.82 34.81 2kk6 h ILE 97 CO 0.59 0.02 -0.80 0.42 -0.69 0.00 0.00 178.15 177.69 2kk6 s THR 98 N -3.08 1.00 0.37 -0.27 -4.23 -1.26 -4.58 115.64 103.58 2kk6 s THR 98 Ca -0.07 -0.58 0.20 0.00 -1.18 0.00 0.00 61.69 60.05 2kk6 s THR 98 Cb 0.01 -0.84 0.19 0.00 1.34 0.00 0.00 72.50 73.20 2kk6 s THR 98 CO 0.23 0.25 1.94 0.11 -0.54 0.00 0.00 174.62 176.61 2kk6 h LYS 99 N 5.74 0.00 0.00 3.99 1.79 -1.97 0.30 116.57 126.42 2kk6 h LYS 99 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2kk6 h LYS 99 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2kk6 h LYS 99 CO 0.49 0.24 0.00 0.87 -1.08 0.00 0.00 179.45 179.97 2kk6 h LYS 100 N 0.00 0.00 0.00 3.15 1.57 -2.02 -3.28 116.57 115.99 2kk6 h LYS 100 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kk6 h LYS 100 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2kk6 h LYS 100 CO 0.03 0.00 -1.10 0.45 -0.57 0.00 0.00 179.45 178.27 2kk6 n SER 101 N -2.66 4.54 -2.63 0.86 2.88 -0.96 -5.04 113.62 110.61 2kk6 n SER 101 Ca 0.03 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.37 2kk6 n SER 101 Cb 0.35 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.84 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 2.44 -0.50 3.78 0.46 0.00 0.10 -4.96 105.19 106.51 2kk6 n GLY 102 Ca -0.01 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.96 5.18 0.17 1.61 1.01 -1.26 -4.97 120.40 119.18 2kk6 s VAL 103 Ca 0.10 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.88 2kk6 s VAL 103 Cb -0.05 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2kk6 s VAL 103 CO 0.12 0.47 0.05 -0.69 0.00 0.00 0.00 175.10 175.06 2kk6 s VAL 104 N -0.24 4.02 -0.29 2.92 1.01 -1.26 -1.30 120.40 125.27 2kk6 s VAL 104 Ca 0.21 -1.29 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 2kk6 s VAL 104 Cb -0.15 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2kk6 s VAL 104 CO 0.09 -0.11 0.54 -0.76 0.00 0.00 0.00 175.10 174.86 2kk6 s LEU 105 N -3.01 4.12 0.04 3.92 1.43 -1.26 -4.83 118.68 119.09 2kk6 s LEU 105 Ca 0.29 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.75 2kk6 s LEU 105 Cb -0.10 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 2kk6 s LEU 105 CO 0.20 -0.36 0.09 -1.48 0.23 0.00 0.00 176.35 175.03 2kk6 s LEU 106 N 2.39 1.84 -0.26 1.79 2.34 -1.24 -4.81 118.68 120.73 2kk6 s LEU 106 Ca 0.22 -0.53 -0.19 0.00 0.06 0.00 0.00 54.13 53.68 2kk6 s LEU 106 Cb -0.15 0.56 0.03 0.00 -0.56 0.00 0.00 46.19 46.07 2kk6 s LEU 106 CO 0.10 -0.49 0.35 -0.46 -1.06 0.00 0.00 176.35 174.79 2kk6 n ASN 107 N 0.83 -2.87 -4.80 1.48 2.04 -1.26 -4.12 115.26 106.56 2kk6 n ASN 107 Ca -0.19 -0.13 -0.33 0.00 -0.44 0.00 0.00 54.58 53.49 2kk6 n ASN 107 Cb 0.58 -0.84 -0.00 0.00 -2.53 0.00 0.00 39.78 36.99 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 2kk6 s PRO 108 N -1.50 3.44 -0.19 -0.53 0.04 -1.26 -4.43 135.00 130.56 2kk6 s PRO 108 Ca 0.19 1.26 -0.23 0.00 0.04 0.00 0.00 61.00 62.26 2kk6 s PRO 108 Cb -0.02 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2kk6 s PRO 108 CO 0.47 -0.72 0.72 0.42 0.04 0.00 0.00 177.00 177.93 2kk6 s ILE 109 N -2.32 4.95 0.91 0.56 -1.09 -1.22 -4.93 121.20 118.06 2kk6 s ILE 109 Ca 0.65 1.39 -0.10 0.00 -2.23 0.00 0.00 60.65 60.35 2kk6 s ILE 109 Cb -0.16 -4.03 0.14 0.00 -1.58 0.00 0.00 42.46 36.83 2kk6 s ILE 109 CO 0.32 0.07 1.15 -2.84 -1.23 0.00 0.00 174.94 172.41 2kk6 s PRO 110 N 2.06 1.05 0.48 2.79 0.02 -1.26 -4.14 135.00 136.00 2kk6 s PRO 110 Ca 0.33 1.54 -0.01 0.00 0.02 0.00 0.00 61.00 62.88 2kk6 s PRO 110 Cb -0.16 -1.73 0.10 0.00 0.02 0.00 0.00 34.50 32.72 2kk6 s PRO 110 CO 0.11 -2.61 0.66 0.36 -0.33 0.00 0.00 177.00 175.19 2kk6 n LYS 111 N -4.21 0.07 -3.95 5.54 2.85 -0.38 -4.91 118.16 113.17 2kk6 n LYS 111 Ca 0.12 -1.70 -0.10 0.00 -1.05 0.00 0.00 58.31 55.58 2kk6 n LYS 111 Cb 0.52 -0.46 -0.02 0.00 -0.65 0.00 0.00 35.03 34.41 2kk6 n LYS 111 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2kk6 s ASP 112 N -3.64 0.17 -0.30 -5.58 -1.08 -1.26 -5.05 116.67 99.93 2kk6 s ASP 112 Ca 0.43 -1.09 0.10 0.00 -0.52 0.00 0.00 52.55 51.47 2kk6 s ASP 112 Cb -0.02 0.70 0.74 0.00 -1.46 0.00 0.00 42.92 42.88 2kk6 s ASP 112 CO 0.29 -1.36 1.77 0.29 0.52 0.00 0.00 175.17 176.67 2kk6 n LYS 113 N -0.48 3.85 -2.35 4.34 4.76 -1.26 -4.84 118.16 122.18 2kk6 n LYS 113 Ca -0.03 -2.98 -0.36 0.00 -2.87 0.00 0.00 58.31 52.07 2kk6 n LYS 113 Cb 0.61 -2.20 -0.03 0.00 -1.84 0.00 0.00 35.03 31.57 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 -2.86 3.29 0.00 1.97 -0.14 -1.26 -4.70 119.74 116.04 2kk6 s LYS 114 Ca 0.53 -1.57 0.20 0.00 -1.36 0.00 0.00 55.97 53.77 2kk6 s LYS 114 Cb 0.42 -5.39 0.84 0.00 -1.68 0.00 0.00 37.83 32.01 2kk6 s LYS 114 CO 0.14 -3.04 1.59 0.91 -0.76 0.00 0.00 175.35 174.19 2kk6 n TRP 115 N 11.15 0.16 0.00 3.18 7.02 -1.26 -5.24 117.44 132.45 2kk6 n TRP 115 Ca 0.46 -0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.87 2kk6 n TRP 115 Cb 0.46 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11