#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 1.10 0.00 3.03 0.00 -1.26 -4.97 105.19 103.09 2kk6 n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kk6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kk6 n HIS 3 N 0.00 0.00 -3.75 1.61 -0.00 -1.26 -5.06 115.22 106.76 2kk6 n HIS 3 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2kk6 n HIS 3 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 2kk6 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk6 s HIS 4 N -0.15 -0.23 0.26 4.41 5.65 -1.26 -5.18 115.29 118.79 2kk6 s HIS 4 Ca 0.00 0.42 -0.16 0.00 0.25 0.00 0.00 55.06 55.57 2kk6 s HIS 4 Cb 0.00 0.11 0.00 0.00 -1.18 0.00 0.00 32.58 31.51 2kk6 s HIS 4 CO 0.00 -0.36 0.56 -3.38 -0.65 0.00 0.00 174.74 170.92 2kk6 s HIS 5 N -1.03 0.17 -0.02 3.88 0.00 -1.26 -4.57 115.29 112.46 2kk6 s HIS 5 Ca -0.11 -0.57 0.07 0.00 -3.00 0.00 0.00 55.06 51.45 2kk6 s HIS 5 Cb -0.05 0.37 -0.02 0.00 -4.00 0.00 0.00 32.58 28.88 2kk6 s HIS 5 CO 0.04 -1.08 -0.24 -1.01 -1.00 0.00 0.00 174.74 171.45 2kk6 s HIS 6 N -3.98 2.40 0.32 0.38 0.09 -1.26 -5.14 115.29 108.09 2kk6 s HIS 6 Ca 0.19 -0.38 0.07 0.00 -0.00 0.00 0.00 55.06 54.93 2kk6 s HIS 6 Cb -0.02 -1.51 -0.02 0.00 -0.00 0.00 0.00 32.58 31.02 2kk6 s HIS 6 CO 0.08 0.02 0.37 -1.01 -0.00 0.00 0.00 174.74 174.21 2kk6 s HIS 7 N -0.66 3.07 0.04 1.40 4.02 -1.26 -5.15 115.29 116.76 2kk6 s HIS 7 Ca 0.11 -0.22 -0.00 0.00 1.02 0.00 0.00 55.06 55.96 2kk6 s HIS 7 Cb -0.10 -1.83 -0.03 0.00 -1.02 0.00 0.00 32.58 29.60 2kk6 s HIS 7 CO -0.00 0.15 -0.03 -1.01 1.02 0.00 0.00 174.74 174.86 2kk6 s HIS 8 N -2.20 0.44 -0.17 1.40 4.02 -1.26 -5.09 115.29 112.44 2kk6 s HIS 8 Ca 0.41 -0.84 -0.13 0.00 1.02 0.00 0.00 55.06 55.52 2kk6 s HIS 8 Cb -0.08 -0.32 -0.08 0.00 -1.02 0.00 0.00 32.58 31.08 2kk6 s HIS 8 CO 0.29 -0.29 -0.07 0.45 1.02 0.00 0.00 174.74 176.14 2kk6 n SER 9 N 0.71 1.83 -2.93 1.40 2.88 -1.26 -5.07 113.62 111.18 2kk6 n SER 9 Ca -0.18 0.56 -0.11 0.00 -1.33 0.00 0.00 58.87 57.80 2kk6 n SER 9 Cb 0.59 -0.90 0.01 0.00 -0.75 0.00 0.00 64.21 63.16 2kk6 n SER 9 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2kk6 n HIS 10 N -4.55 -3.39 -2.48 0.66 -0.00 -1.26 -4.92 115.22 99.29 2kk6 n HIS 10 Ca -0.16 1.37 -0.42 0.00 -0.00 0.00 0.00 57.72 58.51 2kk6 n HIS 10 Cb 0.41 -3.83 -0.03 0.00 -0.00 0.00 0.00 29.99 26.54 2kk6 n HIS 10 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2kk6 s MET 11 N -2.61 4.44 -0.11 1.57 1.75 -1.26 -5.05 119.30 118.04 2kk6 s MET 11 Ca 0.26 1.69 0.01 0.00 -1.25 0.00 0.00 55.69 56.40 2kk6 s MET 11 Cb -0.06 -3.40 -0.02 0.00 2.84 0.00 0.00 34.83 34.19 2kk6 s MET 11 CO 0.78 -0.25 -0.13 0.15 -0.65 0.00 0.00 175.02 174.92 2kk6 s LYS 12 N 1.22 3.17 1.14 4.11 -0.14 -1.26 -5.14 119.74 122.84 2kk6 s LYS 12 Ca 0.57 -0.68 -0.14 0.00 -1.36 0.00 0.00 55.97 54.36 2kk6 s LYS 12 Cb -0.27 -2.57 0.26 0.00 -1.68 0.00 0.00 37.83 33.57 2kk6 s LYS 12 CO 0.28 0.32 1.05 -1.25 -0.76 0.00 0.00 175.35 174.98 2kk6 s PRO 13 N 0.08 -0.69 0.18 -1.68 0.04 -1.26 -4.79 135.00 126.87 2kk6 s PRO 13 Ca -0.05 0.57 -0.13 0.00 0.04 0.00 0.00 61.00 61.43 2kk6 s PRO 13 Cb -0.15 -1.60 0.15 0.00 0.04 0.00 0.00 34.50 32.94 2kk6 s PRO 13 CO 0.04 -3.50 1.76 1.25 0.04 0.00 0.00 177.00 176.59 2kk6 h LEU 14 N -2.45 0.23 -1.69 -3.56 5.85 -2.00 -0.72 115.31 110.96 2kk6 h LEU 14 Ca -0.57 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2kk6 h LEU 14 Cb 1.34 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2kk6 h LEU 14 CO 0.51 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 178.77 2kk6 h ALA 15 N 1.30 1.00 -0.02 1.25 0.00 -1.94 -1.57 119.26 119.28 2kk6 h ALA 15 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2kk6 h ALA 15 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kk6 h ALA 15 CO -0.21 0.00 -0.29 0.39 0.00 0.00 0.00 179.25 179.14 2kk6 n GLU 16 N -2.51 1.63 -2.58 0.00 -0.58 -0.30 -4.95 120.64 111.36 2kk6 n GLU 16 Ca -0.01 -1.33 -0.43 0.00 -0.42 0.00 0.00 57.16 54.97 2kk6 n GLU 16 Cb 0.09 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 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 -2.25 4.36 0.29 3.49 -1.52 -0.59 -4.93 119.66 118.51 2kk6 s GLN 17 Ca 0.22 1.50 0.03 0.00 -1.95 0.00 0.00 55.36 55.16 2kk6 s GLN 17 Cb 0.18 -3.58 0.68 0.00 -0.22 0.00 0.00 33.01 30.07 2kk6 s GLN 17 CO 0.46 -0.44 1.74 -0.44 -0.25 0.00 0.00 175.29 176.36 2kk6 h ASP 18 N 7.37 0.55 1.17 5.90 5.19 -1.88 -0.31 116.42 134.42 2kk6 h ASP 18 Ca -0.30 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 2kk6 h ASP 18 Cb 1.13 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2kk6 h ASP 18 CO 0.89 0.16 0.00 4.11 -3.12 0.00 0.00 179.24 181.28 2kk6 h TRP 19 N 0.59 0.00 -3.56 4.55 5.08 -1.88 -3.36 115.95 117.37 2kk6 h TRP 19 Ca 0.54 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.90 2kk6 h TRP 19 Cb 0.89 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.94 2kk6 h TRP 19 CO -0.07 0.00 0.40 -0.47 -1.28 0.00 0.00 178.44 177.02 2kk6 s TYR 20 N -3.43 3.07 -0.20 0.12 5.04 -0.13 -0.36 117.35 121.48 2kk6 s TYR 20 Ca 0.04 0.48 0.15 0.00 -2.44 0.00 0.00 57.07 55.30 2kk6 s TYR 20 Cb 0.09 -3.51 0.49 0.00 0.35 0.00 0.00 41.96 39.38 2kk6 s TYR 20 CO 0.53 -0.82 1.39 0.72 -1.34 0.00 0.00 175.55 176.04 2kk6 n HIS 21 N 6.56 0.84 -4.13 4.97 8.25 -1.03 -4.78 115.22 125.90 2kk6 n HIS 21 Ca 0.03 -1.04 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 2kk6 n HIS 21 Cb 0.48 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.77 -1.92 2.43 -1.41 0.00 -1.26 -4.34 105.19 97.92 2kk6 n GLY 22 Ca 0.23 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 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 0.09 7.03 -2.20 4.61 0.00 -1.26 -1.07 120.51 127.71 2kk6 n ALA 23 Ca 0.00 -3.65 -0.33 0.00 0.00 0.00 0.00 53.44 49.46 2kk6 n ALA 23 Cb 0.00 -3.38 -0.06 0.00 0.00 0.00 0.00 19.45 16.01 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 2.22 4.73 0.94 0.00 -4.36 -1.26 -4.86 121.20 118.60 2kk6 s ILE 24 Ca 0.63 0.88 -0.11 0.00 -0.26 0.00 0.00 60.65 61.80 2kk6 s ILE 24 Cb 0.17 -3.64 0.16 0.00 1.25 0.00 0.00 42.46 40.39 2kk6 s ILE 24 CO -0.07 -0.10 1.11 -2.16 0.24 0.00 0.00 174.94 173.96 2kk6 s PRO 25 N -2.80 0.86 0.21 0.37 0.04 -1.26 -4.72 135.00 127.70 2kk6 s PRO 25 Ca 0.51 1.26 -0.10 0.00 0.04 0.00 0.00 61.00 62.71 2kk6 s PRO 25 Cb -0.11 -1.73 0.21 0.00 0.04 0.00 0.00 34.50 32.91 2kk6 s PRO 25 CO 0.19 -2.64 1.83 -0.09 0.04 0.00 0.00 177.00 176.32 2kk6 h ARG 26 N -1.86 0.75 0.09 4.56 2.43 -1.97 -2.40 114.38 115.97 2kk6 h ARG 26 Ca -0.48 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.67 2kk6 h ARG 26 Cb 1.28 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.61 2kk6 h ARG 26 CO 0.46 0.50 -0.38 0.82 -1.51 0.00 0.00 179.97 179.86 2kk6 h ILE 27 N 0.77 0.21 -0.77 1.20 2.04 -2.00 -2.21 117.51 116.75 2kk6 h ILE 27 Ca 0.29 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.20 2kk6 h ILE 27 Cb 0.10 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 2kk6 h ILE 27 CO -0.14 0.00 0.50 -0.33 0.00 0.00 0.00 178.15 178.18 2kk6 h GLU 28 N -0.60 0.82 -0.94 2.37 4.39 -1.88 -0.79 114.58 117.95 2kk6 h GLU 28 Ca 0.03 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.69 2kk6 h GLU 28 Cb 0.64 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 2kk6 h GLU 28 CO -0.24 0.54 0.61 0.00 -1.16 0.00 0.00 179.01 178.77 2kk6 h ALA 29 N 1.58 1.31 0.10 3.43 0.00 -0.91 -3.01 119.26 121.76 2kk6 h ALA 29 Ca 0.32 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.86 2kk6 h ALA 29 Cb 0.20 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2kk6 h ALA 29 CO -0.11 0.63 -1.51 -0.56 0.00 0.00 0.00 179.25 177.71 2kk6 h GLN 30 N 1.28 0.20 -0.78 0.00 3.07 -0.89 -3.37 115.11 114.63 2kk6 h GLN 30 Ca 0.34 -0.35 0.07 0.00 0.09 0.00 0.00 58.65 58.81 2kk6 h GLN 30 Cb -0.13 0.13 -0.06 0.00 0.08 0.00 0.00 27.48 27.49 2kk6 h GLN 30 CO -0.07 1.05 0.45 0.93 0.09 0.00 0.00 178.83 181.28 2kk6 h GLU 31 N 0.06 0.77 0.00 0.06 4.39 -1.04 -1.85 114.58 116.96 2kk6 h GLU 31 Ca -0.23 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2kk6 h GLU 31 Cb 1.99 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 2kk6 h GLU 31 CO 0.15 0.51 0.00 1.47 -1.16 0.00 0.00 179.01 179.98 2kk6 n LEU 32 N -4.73 0.48 -4.66 1.33 -0.00 -1.16 -4.70 117.00 103.57 2kk6 n LEU 32 Ca 0.11 0.58 -0.41 0.00 -0.00 0.00 0.00 56.01 56.29 2kk6 n LEU 32 Cb 0.22 -0.46 -0.05 0.00 -0.00 0.00 0.00 43.42 43.13 2kk6 n LEU 32 CO 0.29 -0.27 0.54 -0.76 -0.00 0.00 0.00 177.39 177.18 2kk6 s LEU 33 N -3.96 4.13 0.00 1.47 1.43 -0.70 -4.90 118.68 116.15 2kk6 s LEU 33 Ca 0.09 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 2kk6 s LEU 33 Cb 0.12 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.25 2kk6 s LEU 33 CO 0.47 -0.39 0.00 2.29 0.23 0.00 0.00 176.35 178.95 2kk6 n LYS 34 N 5.43 0.69 -4.17 1.70 -0.00 -1.26 -5.01 118.16 115.54 2kk6 n LYS 34 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.04 2kk6 n LYS 34 Cb 0.49 -0.67 -0.09 0.00 -0.00 0.00 0.00 35.03 34.76 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 -1.34 2.37 -0.52 -1.58 -2.85 -1.26 -5.04 119.74 109.53 2kk6 s LYS 35 Ca 0.00 -0.94 -0.26 0.00 -1.00 0.00 0.00 55.97 53.77 2kk6 s LYS 35 Cb 0.00 -2.43 -0.08 0.00 -2.06 0.00 0.00 37.83 33.26 2kk6 s LYS 35 CO 0.00 0.52 2.42 0.94 0.10 0.00 0.00 175.35 179.33 2kk6 n GLN 36 N 0.52 1.00 0.00 1.78 7.27 -1.26 -1.99 117.38 124.71 2kk6 n GLN 36 Ca -0.12 -0.07 0.00 0.00 0.07 0.00 0.00 57.00 56.88 2kk6 n GLN 36 Cb 0.52 -3.47 0.00 0.00 2.41 0.00 0.00 30.24 29.71 2kk6 n GLN 36 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kk6 n GLY 37 N 6.07 3.66 3.66 1.69 0.00 -0.34 -4.96 105.19 114.96 2kk6 n GLY 37 Ca 0.38 -0.53 -0.53 0.00 0.00 0.00 0.00 46.02 45.34 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 2.34 -3.88 1.61 8.00 -0.84 -3.81 116.55 119.96 2kk6 n ASP 38 Ca 0.00 1.08 -0.11 0.00 0.71 0.00 0.00 54.79 56.47 2kk6 n ASP 38 Cb 0.00 -1.23 -0.12 0.00 -0.02 0.00 0.00 41.12 39.76 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 2.15 0.02 -0.02 1.24 -0.71 -1.26 -0.67 117.98 118.73 2kk6 s PHE 39 Ca 0.90 -0.03 -0.08 0.00 -1.04 0.00 0.00 56.93 56.67 2kk6 s PHE 39 Cb -0.93 -0.04 0.01 0.00 -1.21 0.00 0.00 43.02 40.85 2kk6 s PHE 39 CO 0.53 -0.13 0.18 -0.48 -1.34 0.00 0.00 175.22 173.98 2kk6 s LEU 40 N -0.61 1.37 -0.31 -1.99 2.34 -0.50 -3.92 118.68 115.06 2kk6 s LEU 40 Ca -0.07 -0.02 -0.10 0.00 0.06 0.00 0.00 54.13 54.01 2kk6 s LEU 40 Cb -0.04 0.76 -0.01 0.00 -0.56 0.00 0.00 46.19 46.34 2kk6 s LEU 40 CO 0.00 -0.31 0.16 -0.69 -1.06 0.00 0.00 176.35 174.45 2kk6 s VAL 41 N -1.02 4.71 0.27 1.48 1.01 0.52 -0.54 120.40 126.84 2kk6 s VAL 41 Ca -0.11 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.62 2kk6 s VAL 41 Cb -0.06 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2kk6 s VAL 41 CO 0.02 0.09 0.14 0.00 0.00 0.00 0.00 175.10 175.35 2kk6 s ARG 42 N 1.64 2.69 -0.16 2.72 1.70 -0.22 -2.47 118.95 124.84 2kk6 s ARG 42 Ca 0.05 -1.22 -0.11 0.00 -0.47 0.00 0.00 55.73 53.99 2kk6 s ARG 42 Cb -0.17 -2.41 -0.05 0.00 -0.57 0.00 0.00 34.95 31.75 2kk6 s ARG 42 CO 0.07 0.34 0.19 -2.00 -1.08 0.00 0.00 175.30 172.82 2kk6 s GLU 43 N -3.81 4.02 0.79 3.89 2.12 -0.23 -0.50 118.70 124.98 2kk6 s GLU 43 Ca 0.34 -0.09 -0.11 0.00 0.36 0.00 0.00 54.97 55.47 2kk6 s GLU 43 Cb -0.07 -3.36 0.07 0.00 0.26 0.00 0.00 34.13 31.03 2kk6 s GLU 43 CO 0.23 0.42 1.11 0.45 -0.54 0.00 0.00 175.26 176.93 2kk6 s SER 44 N -0.01 4.21 -0.28 -1.70 0.15 0.13 -4.03 113.70 112.17 2kk6 s SER 44 Ca 0.13 1.94 -0.11 0.00 0.70 0.00 0.00 55.95 58.61 2kk6 s SER 44 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2kk6 s SER 44 CO 0.02 -2.24 0.19 -1.00 1.20 0.00 0.00 173.24 171.40 2kk6 s HIS 45 N -2.75 3.23 0.00 3.44 0.09 -1.26 -4.29 115.29 113.75 2kk6 s HIS 45 Ca 0.63 0.13 0.00 0.00 -0.00 0.00 0.00 55.06 55.82 2kk6 s HIS 45 Cb -0.19 -2.37 0.00 0.00 -0.00 0.00 0.00 32.58 30.02 2kk6 s HIS 45 CO 0.54 -0.14 0.00 0.41 -0.00 0.00 0.00 174.74 175.56 2kk6 n GLY 46 N 4.97 0.95 2.68 -2.22 0.00 -1.26 -4.98 105.19 105.33 2kk6 n GLY 46 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.23 1.47 -0.66 1.61 2.47 -1.26 -5.08 119.74 118.06 2kk6 s LYS 47 Ca 0.00 -2.33 -0.26 0.00 -1.56 0.00 0.00 55.97 51.82 2kk6 s LYS 47 Cb 0.00 -2.37 -0.07 0.00 -1.46 0.00 0.00 37.83 33.93 2kk6 s LYS 47 CO 0.00 -1.24 2.23 -1.25 0.16 0.00 0.00 175.35 175.25 2kk6 s PRO 48 N -0.13 2.13 0.00 4.03 0.04 -1.26 -2.06 135.00 137.76 2kk6 s PRO 48 Ca 0.23 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2kk6 s PRO 48 Cb -0.13 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.74 2kk6 s PRO 48 CO -0.08 -3.50 0.00 0.41 0.04 0.00 0.00 177.00 173.86 2kk6 n GLY 49 N 6.28 1.29 3.55 0.56 0.00 -1.26 -5.08 105.19 110.53 2kk6 n GLY 49 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 3.24 -0.27 1.61 2.12 -0.87 -4.90 118.70 119.63 2kk6 s GLU 50 Ca 0.00 -0.42 -0.14 0.00 0.36 0.00 0.00 54.97 54.77 2kk6 s GLU 50 Cb 0.00 -4.54 -0.04 0.00 0.26 0.00 0.00 34.13 29.81 2kk6 s GLU 50 CO 0.00 -2.24 0.32 0.71 -0.54 0.00 0.00 175.26 173.51 2kk6 s TYR 51 N 5.87 3.24 -0.25 5.30 1.51 -1.26 -0.69 117.35 131.07 2kk6 s TYR 51 Ca 0.41 0.34 -0.07 0.00 -1.01 0.00 0.00 57.07 56.74 2kk6 s TYR 51 Cb -0.06 -2.51 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 2kk6 s TYR 51 CO 0.08 -0.20 0.06 0.08 -1.11 0.00 0.00 175.55 174.46 2kk6 s VAL 52 N 1.95 4.16 -0.39 0.71 1.01 0.34 -1.80 120.40 126.39 2kk6 s VAL 52 Ca 0.13 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 2kk6 s VAL 52 Cb -0.16 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2kk6 s VAL 52 CO 0.10 0.31 0.81 -0.22 0.00 0.00 0.00 175.10 176.10 2kk6 s LEU 53 N 1.59 4.13 -0.27 3.92 2.96 0.12 -1.05 118.68 130.08 2kk6 s LEU 53 Ca 0.06 0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.17 2kk6 s LEU 53 Cb -0.15 -3.05 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 2kk6 s LEU 53 CO 0.03 -0.80 0.07 -0.44 -1.32 0.00 0.00 176.35 173.89 2kk6 s SER 54 N 1.93 5.09 0.02 3.68 0.01 0.30 -1.04 113.70 123.69 2kk6 s SER 54 Ca 0.32 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.20 2kk6 s SER 54 Cb -0.13 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 2kk6 s SER 54 CO 0.19 -0.11 -0.18 0.54 0.41 0.00 0.00 173.24 174.09 2kk6 s VAL 55 N 1.56 1.47 -0.41 3.43 0.11 -0.39 -1.42 120.40 124.75 2kk6 s VAL 55 Ca 0.05 -0.97 -0.21 0.00 -2.93 0.00 0.00 61.98 57.92 2kk6 s VAL 55 Cb -0.16 -1.26 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 2kk6 s VAL 55 CO 0.03 0.26 0.65 -0.47 -3.33 0.00 0.00 175.10 172.24 2kk6 s TYR 56 N -0.64 3.08 -0.07 1.54 6.14 0.15 -0.01 117.35 127.55 2kk6 s TYR 56 Ca 0.06 0.09 -0.07 0.00 0.64 0.00 0.00 57.07 57.79 2kk6 s TYR 56 Cb -0.08 -3.32 0.02 0.00 0.42 0.00 0.00 41.96 39.01 2kk6 s TYR 56 CO 0.01 -0.81 0.21 0.45 0.64 0.00 0.00 175.55 176.05 2kk6 s SER 57 N 1.95 -0.21 -0.52 4.32 0.15 -0.14 -1.20 113.70 118.06 2kk6 s SER 57 Ca 0.24 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2kk6 s SER 57 Cb -0.14 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 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 2.87 -4.94 0.00 5.45 8.00 -1.26 -0.64 116.55 126.03 2kk6 n ASP 58 Ca -0.13 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2kk6 n ASP 58 Cb 0.58 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.81 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 -0.59 0.88 3.51 0.44 0.00 -1.26 -5.04 105.19 103.14 2kk6 n GLY 59 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.14 2.57 -0.61 1.61 -0.21 0.19 -5.09 119.66 117.98 2kk6 s GLN 60 Ca 0.00 -0.66 -0.24 0.00 0.02 0.00 0.00 55.36 54.48 2kk6 s GLN 60 Cb 0.00 -2.44 0.05 0.00 1.00 0.00 0.00 33.01 31.62 2kk6 s GLN 60 CO 0.00 0.63 0.99 1.03 -2.12 0.00 0.00 175.29 175.83 2kk6 s ARG 61 N -0.79 3.25 0.33 2.91 3.00 -1.26 -0.96 118.95 125.42 2kk6 s ARG 61 Ca 0.12 -0.43 -0.28 0.00 0.00 0.00 0.00 55.73 55.14 2kk6 s ARG 61 Cb -0.11 -4.12 -0.09 0.00 0.00 0.00 0.00 34.95 30.63 2kk6 s ARG 61 CO 0.01 -1.67 1.13 1.03 0.00 0.00 0.00 175.30 175.80 2kk6 s ARG 62 N 4.21 4.42 -0.15 3.54 1.81 0.99 -4.83 118.95 128.94 2kk6 s ARG 62 Ca 0.29 1.82 -0.00 0.00 -1.72 0.00 0.00 55.73 56.11 2kk6 s ARG 62 Cb -0.13 -2.98 0.03 0.00 -0.45 0.00 0.00 34.95 31.42 2kk6 s ARG 62 CO 0.16 0.01 -0.09 -1.01 -0.68 0.00 0.00 175.30 173.69 2kk6 s HIS 63 N -1.28 1.83 0.05 -0.53 3.76 -1.26 -1.26 115.29 116.60 2kk6 s HIS 63 Ca 0.49 -1.07 0.09 0.00 -0.15 0.00 0.00 55.06 54.43 2kk6 s HIS 63 Cb -0.31 -1.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 2kk6 s HIS 63 CO 0.40 -0.61 -0.26 -0.06 -0.85 0.00 0.00 174.74 173.35 2kk6 s PHE 64 N 1.59 2.31 -0.09 1.40 0.08 -0.21 -4.95 117.98 118.12 2kk6 s PHE 64 Ca 0.03 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 2kk6 s PHE 64 Cb -0.14 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.90 2kk6 s PHE 64 CO -0.09 0.14 0.01 0.42 -0.10 0.00 0.00 175.22 175.60 2kk6 s ILE 65 N -0.82 4.37 -0.42 0.64 1.01 -1.26 0.16 121.20 124.87 2kk6 s ILE 65 Ca 0.12 -0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.29 2kk6 s ILE 65 Cb -0.10 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.54 2kk6 s ILE 65 CO 0.02 0.60 0.91 -0.63 0.00 0.00 0.00 174.94 175.84 2kk6 s ILE 66 N -0.80 4.53 -0.18 2.92 1.01 -0.74 -4.65 121.20 123.30 2kk6 s ILE 66 Ca 0.12 0.89 -0.20 0.00 0.00 0.00 0.00 60.65 61.46 2kk6 s ILE 66 Cb -0.11 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 2kk6 s ILE 66 CO 0.02 -0.71 0.59 -1.10 0.00 0.00 0.00 174.94 173.75 2kk6 s GLN 67 N 3.61 4.24 -0.59 2.79 1.11 0.34 -4.66 119.66 126.49 2kk6 s GLN 67 Ca 0.37 0.57 -0.20 0.00 0.01 0.00 0.00 55.36 56.11 2kk6 s GLN 67 Cb -0.11 -3.54 0.09 0.00 -1.01 0.00 0.00 33.01 28.43 2kk6 s GLN 67 CO 0.23 -0.14 0.76 -0.47 0.01 0.00 0.00 175.29 175.68 2kk6 s TYR 68 N 1.59 2.92 -0.10 0.91 5.04 -1.26 -1.29 117.35 125.15 2kk6 s TYR 68 Ca 0.28 -0.78 0.01 0.00 -2.44 0.00 0.00 57.07 54.14 2kk6 s TYR 68 Cb -0.16 -4.02 0.02 0.00 0.35 0.00 0.00 41.96 38.15 2kk6 s TYR 68 CO 0.11 -1.35 -0.11 0.08 -1.34 0.00 0.00 175.55 172.94 2kk6 s VAL 69 N 3.04 1.20 -1.38 3.14 1.01 -0.09 -4.82 120.40 122.50 2kk6 s VAL 69 Ca 0.15 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 2kk6 s VAL 69 Cb -0.21 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.05 2kk6 s VAL 69 CO 0.08 0.39 0.86 0.47 0.00 0.00 0.00 175.10 176.90 2kk6 n ASP 70 N 4.41 -2.90 -0.26 3.32 9.92 -1.26 -0.76 116.55 129.02 2kk6 n ASP 70 Ca -0.18 -0.77 -0.03 0.00 -0.53 0.00 0.00 54.79 53.28 2kk6 n ASP 70 Cb 0.51 -4.15 -0.01 0.00 -0.64 0.00 0.00 41.12 36.82 2kk6 n ASP 70 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2kk6 n ASN 71 N -2.98 -4.99 -4.24 -2.24 3.02 -1.26 -4.99 115.26 97.58 2kk6 n ASN 71 Ca -0.16 0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 54.14 2kk6 n ASN 71 Cb 0.62 -2.80 -0.15 0.00 -0.61 0.00 0.00 39.78 36.84 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 -1.82 3.21 -0.36 3.52 -1.94 0.07 -4.29 119.30 117.69 2kk6 s MET 72 Ca 0.00 -0.72 -0.26 0.00 -1.71 0.00 0.00 55.69 53.00 2kk6 s MET 72 Cb 0.00 -2.77 0.01 0.00 2.01 0.00 0.00 34.83 34.09 2kk6 s MET 72 CO 0.00 -0.14 0.95 0.71 -0.01 0.00 0.00 175.02 176.53 2kk6 s TYR 73 N 1.23 3.09 0.08 -0.03 2.02 0.67 -0.91 117.35 123.49 2kk6 s TYR 73 Ca 0.03 0.85 -0.02 0.00 -0.37 0.00 0.00 57.07 57.55 2kk6 s TYR 73 Cb -0.14 -3.66 -0.03 0.00 -0.40 0.00 0.00 41.96 37.73 2kk6 s TYR 73 CO -0.06 -0.82 0.03 -0.98 -1.57 0.00 0.00 175.55 172.16 2kk6 s ARG 74 N 3.51 0.74 0.00 -0.62 1.70 -0.42 -1.55 118.95 122.31 2kk6 s ARG 74 Ca 0.39 -1.23 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 2kk6 s ARG 74 Cb -0.12 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 2kk6 s ARG 74 CO 0.18 -0.18 0.00 1.19 -1.08 0.00 0.00 175.30 175.41 2kk6 n PHE 75 N 0.03 0.00 -0.00 5.89 3.72 -1.26 -0.51 117.46 125.33 2kk6 n PHE 75 Ca -0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2kk6 n PHE 75 Cb 0.62 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.16 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 -1.33 0.01 0.00 -1.08 2.13 -1.26 -4.85 120.64 114.26 2kk6 n GLU 76 Ca 0.00 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2kk6 n GLU 76 Cb 0.00 -0.77 0.00 0.00 0.27 0.00 0.00 31.44 30.94 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 1.75 0.24 3.76 8.31 0.00 -1.26 -5.09 105.19 112.89 2kk6 n GLY 77 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.43 2.96 0.15 2.61 -1.32 -1.26 -4.97 115.64 114.24 2kk6 s THR 78 Ca 0.00 0.31 -0.01 0.00 -1.21 0.00 0.00 61.69 60.78 2kk6 s THR 78 Cb 0.00 -2.90 -0.04 0.00 -1.51 0.00 0.00 72.50 68.05 2kk6 s THR 78 CO 0.00 -0.41 0.08 -0.83 -2.21 0.00 0.00 174.62 171.25 2kk6 s GLY 79 N -3.61 1.06 0.16 6.08 0.00 -1.26 -4.31 107.32 105.45 2kk6 s GLY 79 Ca 0.62 -1.50 0.09 0.00 0.00 0.00 0.00 44.72 43.93 2kk6 s GLY 79 CO 0.56 -1.35 -0.19 -1.36 0.00 0.00 0.00 173.10 170.76 2kk6 s PHE 80 N -4.07 1.85 0.57 1.90 0.40 -0.60 -4.79 117.98 113.24 2kk6 s PHE 80 Ca 0.27 -0.46 0.39 0.00 -0.60 0.00 0.00 56.93 56.52 2kk6 s PHE 80 Cb 0.07 -0.92 2.10 0.00 0.51 0.00 0.00 43.02 44.78 2kk6 s PHE 80 CO 0.04 0.34 2.28 1.03 0.70 0.00 0.00 175.22 179.61 2kk6 h SER 81 N 3.27 0.00 -4.35 1.36 0.87 -1.89 0.19 113.55 113.00 2kk6 h SER 81 Ca -0.43 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 59.89 2kk6 h SER 81 Cb 1.21 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.92 2kk6 h SER 81 CO 0.50 0.01 -0.72 0.20 -0.53 0.00 0.00 176.83 176.29 2kk6 s ASN 82 N -5.54 0.39 0.13 6.23 0.01 -1.26 -4.78 114.94 110.11 2kk6 s ASN 82 Ca -0.04 -0.28 -0.20 0.00 -0.71 0.00 0.00 52.86 51.62 2kk6 s ASN 82 Cb 0.13 0.02 -0.04 0.00 0.41 0.00 0.00 41.25 41.77 2kk6 s ASN 82 CO 0.47 -0.12 1.70 0.40 -1.51 0.00 0.00 177.10 178.05 2kk6 h ILE 83 N 4.84 0.80 -0.74 0.60 2.04 -1.93 -0.83 117.51 122.29 2kk6 h ILE 83 Ca -0.30 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.65 2kk6 h ILE 83 Cb 1.20 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 2kk6 h ILE 83 CO 0.46 0.00 0.49 1.55 0.00 0.00 0.00 178.15 180.64 2kk6 h PRO 84 N -0.02 0.68 -0.05 2.37 0.13 -1.96 -2.06 132.00 131.08 2kk6 h PRO 84 Ca 0.09 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 65.02 2kk6 h PRO 84 Cb 0.15 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2kk6 h PRO 84 CO -0.19 0.45 -0.66 1.96 -0.23 0.00 0.00 178.00 179.33 2kk6 h GLN 85 N 0.70 0.22 0.19 0.86 1.08 -1.84 0.37 115.11 116.69 2kk6 h GLN 85 Ca 0.33 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.38 2kk6 h GLN 85 Cb 0.39 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 2kk6 h GLN 85 CO -0.12 0.80 -0.26 1.25 -0.95 0.00 0.00 178.83 179.54 2kk6 h LEU 86 N 0.16 -0.73 -0.06 1.46 5.85 -0.44 0.07 115.31 121.62 2kk6 h LEU 86 Ca -0.01 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2kk6 h LEU 86 Cb 1.18 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 2kk6 h LEU 86 CO 0.10 -0.37 -0.07 0.40 -0.34 0.00 0.00 178.44 178.16 2kk6 h ILE 87 N -0.52 1.38 -0.22 4.05 1.08 -1.52 -2.76 117.51 119.01 2kk6 h ILE 87 Ca 0.01 -1.26 0.06 0.00 -0.39 0.00 0.00 64.86 63.28 2kk6 h ILE 87 Cb 0.51 2.09 -0.07 0.00 -3.07 0.00 0.00 36.82 36.28 2kk6 h ILE 87 CO -0.10 0.35 -0.26 -0.78 -0.69 0.00 0.00 178.15 176.66 2kk6 h ASP 88 N -0.31 -0.82 -0.12 1.72 3.58 -0.90 0.16 116.42 119.73 2kk6 h ASP 88 Ca 0.01 0.14 -0.11 0.00 0.42 0.00 0.00 57.03 57.49 2kk6 h ASP 88 Cb 0.59 0.38 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 2kk6 h ASP 88 CO 0.02 -0.29 -0.27 -0.74 -2.88 0.00 0.00 179.24 175.07 2kk6 h HIS 89 N -0.28 0.66 -0.31 0.28 2.76 -1.08 0.27 115.15 117.46 2kk6 h HIS 89 Ca 0.13 -0.15 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 2kk6 h HIS 89 Cb 0.48 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 2kk6 h HIS 89 CO -0.40 0.80 -0.17 0.45 -1.30 0.00 0.00 177.93 177.31 2kk6 h HIS 90 N 0.51 0.61 -0.03 5.26 3.86 -1.12 -1.29 115.15 122.95 2kk6 h HIS 90 Ca 0.07 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 2kk6 h HIS 90 Cb 0.73 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 29.05 2kk6 h HIS 90 CO 0.03 0.69 -0.32 -0.92 0.86 0.00 0.00 177.93 178.28 2kk6 h TYR 91 N 0.50 0.37 -0.41 2.45 5.03 -0.26 0.53 116.97 125.18 2kk6 h TYR 91 Ca 0.08 -0.18 -0.09 0.00 2.58 0.00 0.00 58.73 61.13 2kk6 h TYR 91 Cb 0.58 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 2kk6 h TYR 91 CO 0.02 0.95 -0.10 1.79 -1.32 0.00 0.00 178.16 179.51 2kk6 h THR 92 N -0.32 1.25 0.00 1.81 1.35 -0.97 -0.93 112.91 115.09 2kk6 h THR 92 Ca -0.03 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 2kk6 h THR 92 Cb 1.02 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2kk6 h THR 92 CO 0.06 0.38 -0.06 0.35 -0.25 0.00 0.00 175.52 176.00 2kk6 n THR 93 N -4.18 0.40 -3.74 6.82 -2.24 -0.49 -4.95 114.28 105.90 2kk6 n THR 93 Ca 0.01 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 2kk6 n THR 93 Cb 0.35 -0.50 0.04 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.03 -5.67 -4.24 -0.78 3.00 0.04 -4.99 118.16 103.48 2kk6 n LYS 94 Ca 0.06 0.66 -0.23 0.00 -0.00 0.00 0.00 58.31 58.80 2kk6 n LYS 94 Cb 0.40 -5.44 -0.06 0.00 0.00 0.00 0.00 35.03 29.93 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 -6.20 2.45 0.59 1.64 -1.52 -0.36 -4.88 119.66 111.38 2kk6 s GLN 95 Ca 0.32 -1.34 -0.19 0.00 -1.95 0.00 0.00 55.36 52.20 2kk6 s GLN 95 Cb -0.16 -2.26 -0.03 0.00 -0.22 0.00 0.00 33.01 30.34 2kk6 s GLN 95 CO 0.80 0.36 1.25 0.14 -0.25 0.00 0.00 175.29 177.59 2kk6 s VAL 96 N -2.28 2.42 -0.06 1.09 -7.23 -1.26 -4.14 120.40 108.93 2kk6 s VAL 96 Ca 0.32 0.27 -0.27 0.00 -1.81 0.00 0.00 61.98 60.50 2kk6 s VAL 96 Cb -0.07 -3.11 -0.22 0.00 0.56 0.00 0.00 36.38 33.54 2kk6 s VAL 96 CO 0.21 -0.05 1.10 0.40 -0.31 0.00 0.00 175.10 176.46 2kk6 h ILE 97 N 0.93 1.47 -3.43 -0.62 1.08 -1.27 -3.45 117.51 112.22 2kk6 h ILE 97 Ca -0.51 -1.49 -0.47 0.00 -0.39 0.00 0.00 64.86 62.00 2kk6 h ILE 97 Cb 1.31 2.48 -0.34 0.00 -3.07 0.00 0.00 36.82 37.20 2kk6 h ILE 97 CO 0.55 0.38 -0.80 0.42 -0.69 0.00 0.00 178.15 178.02 2kk6 s THR 98 N -3.62 0.90 0.39 -0.27 -4.23 -1.26 -4.48 115.64 103.07 2kk6 s THR 98 Ca -0.17 -0.34 0.08 0.00 -1.18 0.00 0.00 61.69 60.08 2kk6 s THR 98 Cb 0.00 -0.85 0.20 0.00 1.34 0.00 0.00 72.50 73.19 2kk6 s THR 98 CO 0.67 0.30 1.97 0.11 -0.54 0.00 0.00 174.62 177.13 2kk6 h LYS 99 N 7.06 0.39 0.00 3.99 1.79 -1.96 0.24 116.57 128.08 2kk6 h LYS 99 Ca -0.34 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.06 2kk6 h LYS 99 Cb 1.17 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.75 2kk6 h LYS 99 CO 0.47 0.39 -0.06 1.57 -1.08 0.00 0.00 179.45 180.74 2kk6 h LYS 100 N 0.38 0.00 0.00 3.15 2.10 -2.01 -3.11 116.57 117.08 2kk6 h LYS 100 Ca 0.09 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.61 2kk6 h LYS 100 Cb 0.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.50 2kk6 h LYS 100 CO 0.00 0.06 -1.62 0.45 -2.00 0.00 0.00 179.45 176.34 2kk6 n SER 101 N -3.66 2.57 -2.65 7.07 2.88 -0.89 -5.04 113.62 113.89 2kk6 n SER 101 Ca -0.02 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.35 2kk6 n SER 101 Cb 0.17 0.95 0.06 0.00 -0.75 0.00 0.00 64.21 64.64 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 2.25 -0.09 3.46 0.46 0.00 0.79 -5.02 105.19 107.05 2kk6 n GLY 102 Ca -0.12 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.22 4.17 0.23 1.61 1.01 -1.25 -4.99 120.40 117.95 2kk6 s VAL 103 Ca 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 2kk6 s VAL 103 Cb -0.18 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2kk6 s VAL 103 CO 0.51 0.39 0.42 -0.69 0.00 0.00 0.00 175.10 175.72 2kk6 s VAL 104 N 1.24 5.19 -0.32 2.92 1.01 -1.26 -0.67 120.40 128.50 2kk6 s VAL 104 Ca 0.04 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 2kk6 s VAL 104 Cb -0.15 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2kk6 s VAL 104 CO 0.02 -0.24 0.64 -0.76 0.00 0.00 0.00 175.10 174.75 2kk6 s LEU 105 N -3.52 4.18 0.04 3.92 1.43 -1.26 -4.86 118.68 118.62 2kk6 s LEU 105 Ca 0.39 0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 2kk6 s LEU 105 Cb -0.11 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 2kk6 s LEU 105 CO 0.30 -0.53 0.06 -1.48 0.23 0.00 0.00 176.35 174.93 2kk6 s LEU 106 N 2.66 2.00 -0.45 1.79 2.34 -1.25 -4.78 118.68 120.98 2kk6 s LEU 106 Ca 0.25 -0.65 -0.38 0.00 0.06 0.00 0.00 54.13 53.41 2kk6 s LEU 106 Cb -0.15 0.47 0.06 0.00 -0.56 0.00 0.00 46.19 46.01 2kk6 s LEU 106 CO 0.13 -0.52 0.65 -0.46 -1.06 0.00 0.00 176.35 175.09 2kk6 n ASN 107 N 0.65 -5.33 -4.79 1.48 6.94 -1.26 -3.76 115.26 109.18 2kk6 n ASN 107 Ca -0.18 -0.19 -0.32 0.00 -0.02 0.00 0.00 54.58 53.87 2kk6 n ASN 107 Cb 0.59 -1.56 0.04 0.00 -2.36 0.00 0.00 39.78 36.49 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 2kk6 s PRO 108 N -2.46 2.98 -0.34 -0.53 0.02 -1.26 -3.93 135.00 129.48 2kk6 s PRO 108 Ca 0.37 1.19 -0.22 0.00 0.02 0.00 0.00 61.00 62.36 2kk6 s PRO 108 Cb -0.04 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2kk6 s PRO 108 CO 0.86 -1.08 0.70 0.42 -0.33 0.00 0.00 177.00 177.57 2kk6 s ILE 109 N -2.61 4.84 0.80 2.83 -1.09 -1.25 -4.96 121.20 119.76 2kk6 s ILE 109 Ca 0.63 0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 59.75 2kk6 s ILE 109 Cb -0.17 -4.11 0.07 0.00 -1.58 0.00 0.00 42.46 36.68 2kk6 s ILE 109 CO 0.44 -0.30 1.10 -2.16 -1.23 0.00 0.00 174.94 172.80 2kk6 s PRO 110 N 2.84 2.04 -0.21 2.79 0.04 -1.26 -3.98 135.00 137.26 2kk6 s PRO 110 Ca 0.28 0.57 -0.34 0.00 0.04 0.00 0.00 61.00 61.54 2kk6 s PRO 110 Cb -0.14 -1.92 0.15 0.00 0.04 0.00 0.00 34.50 32.63 2kk6 s PRO 110 CO 0.14 -1.63 1.23 -1.59 0.04 0.00 0.00 177.00 175.19 2kk6 s LYS 111 N -5.20 0.26 0.00 4.56 0.00 -1.26 -4.97 119.74 113.14 2kk6 s LYS 111 Ca 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 55.97 56.51 2kk6 s LYS 111 Cb -0.14 0.12 0.00 0.00 0.00 0.00 0.00 37.83 37.81 2kk6 s LYS 111 CO 0.54 -0.11 0.00 -0.40 0.00 0.00 0.00 175.35 175.38 2kk6 n ASP 112 N 0.05 0.00 0.00 0.03 5.75 -1.26 -4.52 116.55 116.60 2kk6 n ASP 112 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2kk6 n ASP 112 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 2kk6 n ASP 112 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kk6 n LYS 113 N -2.42 0.19 -3.50 0.11 4.76 -1.26 -5.03 118.16 111.01 2kk6 n LYS 113 Ca 0.00 -0.46 -0.41 0.00 -2.87 0.00 0.00 58.31 54.57 2kk6 n LYS 113 Cb 0.00 -0.55 -0.10 0.00 -1.84 0.00 0.00 35.03 32.54 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 -0.07 3.28 -1.25 1.97 3.01 -1.26 -5.00 119.74 120.41 2kk6 s LYS 114 Ca 0.00 -0.80 -0.13 0.00 -1.01 0.00 0.00 55.97 54.03 2kk6 s LYS 114 Cb 0.00 -3.87 0.15 0.00 -1.01 0.00 0.00 37.83 33.10 2kk6 s LYS 114 CO 0.00 -0.57 1.63 0.91 0.51 0.00 0.00 175.35 177.83 2kk6 n TRP 115 N 5.13 4.35 0.80 3.18 7.02 -1.26 -5.06 117.44 131.59 2kk6 n TRP 115 Ca -0.12 -3.13 0.10 0.00 -1.02 0.00 0.00 57.50 53.33 2kk6 n TRP 115 Cb 0.49 -2.20 0.08 0.00 -2.42 0.00 0.00 31.31 27.25 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11