#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kk8 n GLN 14 N 0.00 0.00 0.13 0.54 0.00 -1.26 -4.68 117.38 112.11 1kk8 n GLN 14 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1kk8 n GLN 14 Cb 0.00 -0.32 0.13 0.00 0.00 0.00 0.00 30.24 30.04 1kk8 n GLN 14 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1kk8 h LYS 15 N 0.00 0.00 0.05 3.69 1.63 -2.07 -3.26 116.57 116.62 1kk8 h LYS 15 Ca 0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1kk8 h LYS 15 Cb 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1kk8 h LYS 15 CO 0.00 0.63 -0.03 1.96 -3.45 0.00 0.00 179.45 178.56 1kk8 h GLN 16 N 0.00 -0.07 -0.94 1.90 1.08 -2.00 -3.31 115.11 111.76 1kk8 h GLN 16 Ca -0.01 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.30 1kk8 h GLN 16 Cb 1.24 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 28.56 1kk8 h GLN 16 CO 0.08 0.15 -0.49 -0.89 -0.95 0.00 0.00 178.83 176.73 1kk8 n ILE 17 N -5.02 -0.59 -0.24 2.54 2.08 -1.23 -0.04 119.36 116.86 1kk8 n ILE 17 Ca -0.08 2.25 0.03 0.00 0.56 0.00 0.00 62.75 65.51 1kk8 n ILE 17 Cb 0.14 -2.84 0.15 0.00 -0.75 0.00 0.00 39.64 36.35 1kk8 n ILE 17 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1kk8 h GLN 18 N 0.00 0.43 -0.57 0.38 5.75 -1.73 0.51 115.11 119.89 1kk8 h GLN 18 Ca 0.21 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1kk8 h GLN 18 Cb 0.44 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1kk8 h GLN 18 CO -0.90 0.29 0.34 0.93 -2.65 0.00 0.00 178.83 176.83 1kk8 h GLU 19 N 0.44 0.77 0.00 1.69 3.07 -0.55 0.10 114.58 120.11 1kk8 h GLU 19 Ca 0.37 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1kk8 h GLU 19 Cb 0.51 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1kk8 h GLU 19 CO -0.36 0.54 0.00 -1.33 -1.40 0.00 0.00 179.01 176.46 1kk8 n MET 20 N -4.42 0.02 0.00 2.33 2.81 0.15 -2.30 117.12 115.71 1kk8 n MET 20 Ca 0.05 0.13 -0.16 0.00 -1.81 0.00 0.00 57.70 55.92 1kk8 n MET 20 Cb 0.08 -1.52 -0.14 0.00 -0.71 0.00 0.00 33.22 30.92 1kk8 n MET 20 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1kk8 h LYS 21 N 0.00 0.16 -0.28 0.03 1.57 0.16 -2.53 116.57 115.67 1kk8 h LYS 21 Ca 0.00 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.39 1kk8 h LYS 21 Cb 0.40 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1kk8 h LYS 21 CO 0.00 0.91 -0.30 1.05 -0.57 0.00 0.00 179.45 180.54 1kk8 h GLU 22 N 0.04 0.71 -0.08 3.15 9.09 -1.27 -2.41 114.58 123.81 1kk8 h GLU 22 Ca -0.34 -0.38 -0.00 0.00 0.05 0.00 0.00 59.36 58.69 1kk8 h GLU 22 Cb 2.02 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 29.14 1kk8 h GLU 22 CO 0.10 1.00 0.04 0.00 0.05 0.00 0.00 179.01 180.19 1kk8 h ALA 23 N 0.70 0.10 -0.90 1.06 0.00 -1.60 -2.44 119.26 116.18 1kk8 h ALA 23 Ca 0.04 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1kk8 h ALA 23 Cb 0.87 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1kk8 h ALA 23 CO 0.07 -0.36 0.58 0.35 0.00 0.00 0.00 179.25 179.89 1kk8 h PHE 24 N 0.03 0.82 0.00 0.00 3.04 -1.33 0.30 116.94 119.80 1kk8 h PHE 24 Ca 0.03 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1kk8 h PHE 24 Cb 0.08 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.34 1kk8 h PHE 24 CO -0.04 0.28 0.00 -1.13 -2.02 0.00 0.00 178.31 175.40 1kk8 n SER 25 N -4.57 0.00 -0.03 0.41 3.41 -0.92 -2.16 113.62 109.77 1kk8 n SER 25 Ca 0.18 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1kk8 n SER 25 Cb 0.50 -0.40 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 1kk8 n SER 25 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1kk8 n MET 26 N -1.40 0.66 0.10 4.33 0.00 0.96 -4.16 117.12 117.60 1kk8 n MET 26 Ca 0.10 -0.01 -0.18 0.00 -0.00 0.00 0.00 57.70 57.62 1kk8 n MET 26 Cb 0.29 -1.60 -0.14 0.00 0.00 0.00 0.00 33.22 31.76 1kk8 n MET 26 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1kk8 h ILE 27 N 0.00 1.33 -0.98 1.12 2.04 -1.19 -3.39 117.51 116.44 1kk8 h ILE 27 Ca -0.24 -2.90 -0.54 0.00 1.00 0.00 0.00 64.86 62.17 1kk8 h ILE 27 Cb 1.61 2.89 -0.09 0.00 -0.74 0.00 0.00 36.82 40.50 1kk8 h ILE 27 CO 0.02 0.85 1.43 -0.62 0.00 0.00 0.00 178.15 179.84 1kk8 s ASP 28 N -7.16 6.23 -0.00 1.72 2.15 -0.92 -4.38 116.67 114.31 1kk8 s ASP 28 Ca -0.07 -1.45 -0.25 0.00 0.43 0.00 0.00 52.55 51.22 1kk8 s ASP 28 Cb 0.06 -2.57 -0.17 0.00 -0.30 0.00 0.00 42.92 39.94 1kk8 s ASP 28 CO 0.88 -1.76 1.22 0.58 -0.17 0.00 0.00 175.17 175.92 1kk8 h VAL 29 N 6.70 0.91 0.00 1.11 2.07 -1.79 -2.97 116.25 122.28 1kk8 h VAL 29 Ca 0.21 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1kk8 h VAL 29 Cb 0.99 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1kk8 h VAL 29 CO 1.38 0.17 0.00 -0.90 0.02 0.00 0.00 177.57 178.24 1kk8 n ASP 30 N -5.03 0.00 -3.18 0.57 5.68 -1.26 -4.88 116.55 108.45 1kk8 n ASP 30 Ca -0.09 -0.28 -0.11 0.00 -0.50 0.00 0.00 54.79 53.81 1kk8 n ASP 30 Cb 0.25 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.24 1kk8 n ASP 30 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1kk8 n ARG 31 N -0.93 -1.34 0.00 0.11 -4.01 -1.12 -4.94 116.66 104.42 1kk8 n ARG 31 Ca 0.05 1.34 0.00 0.00 -1.04 0.00 0.00 57.85 58.20 1kk8 n ARG 31 Cb 0.02 -2.25 0.00 0.00 -3.04 0.00 0.00 32.46 27.19 1kk8 n ARG 31 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1kk8 n ASP 32 N 0.70 0.00 0.00 2.89 5.75 -1.26 -5.02 116.55 119.61 1kk8 n ASP 32 Ca -0.01 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.87 1kk8 n ASP 32 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1kk8 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kk8 n GLY 33 N 0.00 0.75 2.79 6.12 0.00 -1.26 -5.05 105.19 108.54 1kk8 n GLY 33 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1kk8 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kk8 s PHE 34 N -2.35 -0.03 -0.31 1.61 0.40 -1.26 -4.25 117.98 111.79 1kk8 s PHE 34 Ca 0.00 0.28 -0.25 0.00 -0.60 0.00 0.00 56.93 56.36 1kk8 s PHE 34 Cb 0.00 -0.26 0.00 0.00 0.51 0.00 0.00 43.02 43.28 1kk8 s PHE 34 CO 0.00 -0.14 0.85 0.08 0.70 0.00 0.00 175.22 176.70 1kk8 s VAL 35 N 1.43 4.73 0.50 -0.44 1.01 0.05 -4.89 120.40 122.79 1kk8 s VAL 35 Ca -0.05 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.26 1kk8 s VAL 35 Cb -0.12 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1kk8 s VAL 35 CO -0.04 -0.31 0.33 -0.94 0.00 0.00 0.00 175.10 174.14 1kk8 s SER 36 N 1.64 4.63 0.18 3.32 1.04 -1.26 -4.46 113.70 118.79 1kk8 s SER 36 Ca 0.35 -1.16 -0.14 0.00 0.48 0.00 0.00 55.95 55.48 1kk8 s SER 36 Cb -0.14 0.10 0.16 0.00 0.10 0.00 0.00 66.02 66.24 1kk8 s SER 36 CO 0.13 -0.91 1.71 0.50 0.98 0.00 0.00 173.24 175.66 1kk8 h LYS 37 N 0.96 0.20 -0.16 4.02 3.64 -1.96 -0.30 116.57 122.97 1kk8 h LYS 37 Ca -0.39 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 1kk8 h LYS 37 Cb 1.29 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1kk8 h LYS 37 CO 0.61 0.13 -0.19 0.93 -2.27 0.00 0.00 179.45 178.65 1kk8 h GLU 38 N 0.20 0.26 -0.68 1.90 3.07 -1.97 0.64 114.58 118.01 1kk8 h GLU 38 Ca 0.23 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 1kk8 h GLU 38 Cb 0.30 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1kk8 h GLU 38 CO -0.31 0.45 0.31 -0.44 -1.40 0.00 0.00 179.01 177.62 1kk8 h ASP 39 N 0.24 0.90 -0.01 1.42 3.32 -1.39 -1.64 116.42 119.27 1kk8 h ASP 39 Ca 0.04 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1kk8 h ASP 39 Cb 0.49 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1kk8 h ASP 39 CO 0.03 0.80 -0.15 0.40 -1.72 0.00 0.00 179.24 178.61 1kk8 h ILE 40 N 0.95 1.54 -0.18 0.35 2.04 -0.91 -2.65 117.51 118.65 1kk8 h ILE 40 Ca 0.23 -1.80 0.05 0.00 1.00 0.00 0.00 64.86 64.34 1kk8 h ILE 40 Cb 0.15 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1kk8 h ILE 40 CO -0.03 0.48 0.15 0.50 0.00 0.00 0.00 178.15 179.26 1kk8 h LYS 41 N -0.55 0.00 0.11 2.37 3.64 -0.84 0.16 116.57 121.45 1kk8 h LYS 41 Ca -0.02 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.12 1kk8 h LYS 41 Cb 0.87 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1kk8 h LYS 41 CO 0.03 0.00 -1.21 0.00 -2.27 0.00 0.00 179.45 176.00 1kk8 h ALA 42 N 1.86 0.12 -0.11 5.00 0.00 -1.34 -3.06 119.26 121.74 1kk8 h ALA 42 Ca 0.08 -0.99 -0.14 0.00 0.00 0.00 0.00 54.91 53.87 1kk8 h ALA 42 Cb 0.39 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1kk8 h ALA 42 CO -0.00 0.68 -0.55 0.97 0.00 0.00 0.00 179.25 180.35 1kk8 h ILE 43 N -0.40 1.36 0.72 0.00 6.09 -1.16 -1.55 117.51 122.56 1kk8 h ILE 43 Ca -0.26 -1.85 -0.04 0.00 -1.37 0.00 0.00 64.86 61.35 1kk8 h ILE 43 Cb 1.66 1.88 0.01 0.00 0.47 0.00 0.00 36.82 40.84 1kk8 h ILE 43 CO 0.05 0.55 -0.35 -1.28 -3.07 0.00 0.00 178.15 174.06 1kk8 h SER 44 N 0.25 -0.82 -0.25 2.19 0.87 -0.83 -1.11 113.55 113.84 1kk8 h SER 44 Ca 0.00 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1kk8 h SER 44 Cb 1.05 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1kk8 h SER 44 CO 0.09 -0.48 0.28 -0.33 -0.53 0.00 0.00 176.83 175.86 1kk8 h GLU 45 N -1.19 0.00 -0.19 2.24 3.07 -1.57 1.54 114.58 118.47 1kk8 h GLU 45 Ca -0.10 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.66 1kk8 h GLU 45 Cb 0.74 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1kk8 h GLU 45 CO 0.16 0.00 -0.28 0.37 -1.40 0.00 0.00 179.01 177.86 1kk8 h GLN 46 N 0.00 0.52 -0.00 2.33 -0.00 -0.89 -3.12 115.11 113.95 1kk8 h GLN 46 Ca 0.12 -0.31 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 1kk8 h GLN 46 Cb 0.68 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.18 1kk8 h GLN 46 CO -0.00 0.91 -0.62 1.28 0.00 0.00 0.00 178.83 180.39 1kk8 n LEU 47 N -4.37 0.80 0.00 -2.39 4.77 -0.46 -5.02 117.00 110.34 1kk8 n LEU 47 Ca -0.06 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1kk8 n LEU 47 Cb 0.46 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1kk8 n LEU 47 CO 0.43 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1kk8 n GLY 48 N 1.48 2.21 1.66 -0.72 0.00 0.51 -5.07 105.19 105.26 1kk8 n GLY 48 Ca 0.06 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 1kk8 n GLY 48 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1kk8 n ARG 49 N 1.94 -0.35 -1.74 1.61 1.85 -1.24 -4.52 116.66 114.22 1kk8 n ARG 49 Ca 0.00 0.11 -0.33 0.00 -1.00 0.00 0.00 57.85 56.62 1kk8 n ARG 49 Cb 0.00 -2.15 0.05 0.00 -1.05 0.00 0.00 32.46 29.31 1kk8 n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kk8 s ALA 50 N -3.05 2.44 0.85 2.89 0.00 -1.26 -4.87 121.76 118.77 1kk8 s ALA 50 Ca 0.05 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 1kk8 s ALA 50 Cb -0.01 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.88 1kk8 s ALA 50 CO 0.09 -1.32 1.09 -2.14 0.00 0.00 0.00 175.76 173.48 1kk8 s PRO 51 N -4.06 1.61 0.47 0.00 0.02 -1.26 -5.00 135.00 126.79 1kk8 s PRO 51 Ca 0.68 0.93 -0.22 0.00 0.02 0.00 0.00 61.00 62.40 1kk8 s PRO 51 Cb -0.21 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 1kk8 s PRO 51 CO 0.41 -2.02 1.13 0.16 -0.33 0.00 0.00 177.00 176.35 1kk8 s ASP 52 N -3.43 6.16 0.62 2.53 3.84 -1.26 -4.79 116.67 120.33 1kk8 s ASP 52 Ca 0.63 2.20 0.19 0.00 -0.00 0.00 0.00 52.55 55.57 1kk8 s ASP 52 Cb -0.18 -2.59 1.03 0.00 -1.38 0.00 0.00 42.92 39.80 1kk8 s ASP 52 CO 0.57 -0.92 1.56 0.44 -0.00 0.00 0.00 175.17 176.81 1kk8 h ASP 53 N 1.86 0.00 0.51 2.11 5.19 -2.01 0.76 116.42 124.83 1kk8 h ASP 53 Ca -0.49 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.72 1kk8 h ASP 53 Cb 1.24 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.72 1kk8 h ASP 53 CO 0.60 0.00 -1.65 2.29 -3.12 0.00 0.00 179.24 177.36 1kk8 n LYS 54 N -2.66 0.64 0.14 3.56 2.85 -1.26 -3.95 118.16 117.49 1kk8 n LYS 54 Ca -0.01 0.16 0.01 0.00 -1.05 0.00 0.00 58.31 57.42 1kk8 n LYS 54 Cb 0.56 -1.74 0.18 0.00 -0.65 0.00 0.00 35.03 33.38 1kk8 n LYS 54 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1kk8 h GLU 55 N 0.00 0.00 -0.31 -1.58 5.08 0.18 -3.04 114.58 114.91 1kk8 h GLU 55 Ca -0.22 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.98 1kk8 h GLU 55 Cb 1.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1kk8 h GLU 55 CO 0.04 0.57 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.12 1kk8 h LEU 56 N 0.00 0.84 -1.01 1.33 3.38 -1.53 -2.70 115.31 115.62 1kk8 h LEU 56 Ca -0.01 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1kk8 h LEU 56 Cb 1.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1kk8 h LEU 56 CO 0.07 1.15 0.33 0.74 0.09 0.00 0.00 178.44 180.83 1kk8 h THR 57 N 0.63 1.23 -0.17 0.22 2.02 -1.66 -2.66 112.91 112.52 1kk8 h THR 57 Ca 0.04 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1kk8 h THR 57 Cb 1.00 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1kk8 h THR 57 CO 0.10 0.28 0.02 0.00 0.37 0.00 0.00 175.52 176.29 1kk8 h ALA 58 N 1.33 0.23 -0.81 6.16 0.00 -1.41 0.12 119.26 124.88 1kk8 h ALA 58 Ca 0.25 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1kk8 h ALA 58 Cb 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1kk8 h ALA 58 CO -0.03 -0.10 0.53 0.52 0.00 0.00 0.00 179.25 180.17 1kk8 h MET 59 N 0.06 0.60 0.16 0.00 2.07 -1.24 -1.97 114.93 114.61 1kk8 h MET 59 Ca 0.05 -0.04 -0.32 0.00 -2.07 0.00 0.00 59.70 57.32 1kk8 h MET 59 Cb 0.33 -0.13 0.01 0.00 -1.87 0.00 0.00 31.60 29.93 1kk8 h MET 59 CO 0.00 0.39 -1.56 -0.07 1.07 0.00 0.00 176.91 176.74 1kk8 h LEU 60 N 0.61 0.53 -2.88 1.22 3.38 -1.28 -3.27 115.31 113.62 1kk8 h LEU 60 Ca 0.39 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1kk8 h LEU 60 Cb 0.67 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1kk8 h LEU 60 CO -0.16 1.58 -0.00 0.50 0.09 0.00 0.00 178.44 180.45 1kk8 h LYS 61 N 0.09 0.00 0.00 1.13 3.64 -0.16 0.13 116.57 121.40 1kk8 h LYS 61 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1kk8 h LYS 61 Cb 2.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.88 1kk8 h LYS 61 CO 0.19 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.76 1kk8 n GLU 62 N -3.22 0.21 -3.69 1.90 1.02 -0.80 -3.90 120.64 112.16 1kk8 n GLU 62 Ca -0.03 0.14 -0.28 0.00 -0.02 0.00 0.00 57.16 56.97 1kk8 n GLU 62 Cb 0.08 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.88 1kk8 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kk8 s ALA 63 N -2.61 2.67 -0.84 0.62 0.00 0.45 -4.95 121.76 117.08 1kk8 s ALA 63 Ca 0.15 -3.12 -0.28 0.00 0.00 0.00 0.00 51.96 48.71 1kk8 s ALA 63 Cb 0.11 -1.92 -0.26 0.00 0.00 0.00 0.00 23.12 21.05 1kk8 s ALA 63 CO 0.25 -2.05 1.99 -2.30 0.00 0.00 0.00 175.76 173.65 1kk8 n PRO 64 N 2.59 0.15 0.00 0.00 -0.02 -1.25 -4.56 135.00 131.91 1kk8 n PRO 64 Ca 0.21 -1.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.10 1kk8 n PRO 64 Cb 0.39 -3.61 0.00 0.00 -0.02 0.00 0.00 33.50 30.26 1kk8 n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kk8 n GLY 65 N 5.85 4.32 3.39 -1.23 0.00 -1.26 -5.10 105.19 111.15 1kk8 n GLY 65 Ca 0.43 -0.79 -0.51 0.00 0.00 0.00 0.00 46.02 45.14 1kk8 n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1kk8 n PRO 66 N -1.54 0.00 -2.82 1.61 -0.02 -1.26 -4.79 135.00 126.18 1kk8 n PRO 66 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1kk8 n PRO 66 Cb 0.00 -1.16 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 1kk8 n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kk8 s LEU 67 N 1.95 4.56 0.51 2.45 2.96 -1.26 -4.83 118.68 125.01 1kk8 s LEU 67 Ca 0.72 -1.71 0.08 0.00 -0.22 0.00 0.00 54.13 53.01 1kk8 s LEU 67 Cb -1.03 -2.44 0.05 0.00 0.50 0.00 0.00 46.19 43.26 1kk8 s LEU 67 CO 0.56 -1.24 0.63 0.54 -1.32 0.00 0.00 176.35 175.52 1kk8 s ASN 68 N 3.95 5.22 0.54 3.68 6.03 -1.26 -0.77 114.94 132.31 1kk8 s ASN 68 Ca 0.34 -0.75 0.30 0.00 -1.03 0.00 0.00 52.86 51.72 1kk8 s ASN 68 Cb -0.06 -0.08 1.46 0.00 -3.03 0.00 0.00 41.25 39.54 1kk8 s ASN 68 CO -0.06 -1.06 1.92 0.15 -2.03 0.00 0.00 177.10 176.02 1kk8 h PHE 69 N 0.48 0.00 -0.21 1.54 3.57 -1.95 -0.40 116.94 119.97 1kk8 h PHE 69 Ca -0.35 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.09 1kk8 h PHE 69 Cb 1.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1kk8 h PHE 69 CO 0.49 0.00 -0.12 1.15 -2.23 0.00 0.00 178.31 177.60 1kk8 h THR 70 N 0.00 1.31 -0.18 4.41 2.02 -1.96 -1.62 112.91 116.90 1kk8 h THR 70 Ca 0.37 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 1kk8 h THR 70 Cb 1.50 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 1kk8 h THR 70 CO -0.00 0.37 -0.29 -0.03 0.37 0.00 0.00 175.52 175.93 1kk8 h MET 71 N 0.14 0.35 0.65 6.66 1.85 -1.54 -1.90 114.93 121.14 1kk8 h MET 71 Ca 0.04 -0.13 -0.02 0.00 -0.61 0.00 0.00 59.70 58.98 1kk8 h MET 71 Cb 0.63 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.63 1kk8 h MET 71 CO 0.04 0.61 -0.50 0.35 -0.40 0.00 0.00 176.91 177.01 1kk8 h PHE 72 N 0.30 -1.35 -0.94 1.39 3.57 -0.88 -1.47 116.94 117.56 1kk8 h PHE 72 Ca 0.04 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1kk8 h PHE 72 Cb 0.68 0.50 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 1kk8 h PHE 72 CO 0.02 -0.70 0.62 -0.07 -2.23 0.00 0.00 178.31 175.94 1kk8 h LEU 73 N -1.11 1.02 -0.32 0.59 3.38 -1.27 -2.55 115.31 115.06 1kk8 h LEU 73 Ca -0.08 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1kk8 h LEU 73 Cb 0.92 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1kk8 h LEU 73 CO 0.02 0.69 -0.10 -1.28 0.09 0.00 0.00 178.44 177.86 1kk8 h SER 74 N 1.17 -0.35 -0.55 -0.43 0.87 -0.92 1.60 113.55 114.94 1kk8 h SER 74 Ca 0.38 0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.93 1kk8 h SER 74 Cb 0.03 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1kk8 h SER 74 CO -0.12 -0.13 -0.09 0.16 -0.53 0.00 0.00 176.83 176.12 1kk8 h ILE 75 N -0.03 1.27 -0.05 2.23 3.07 -0.92 -2.03 117.51 121.05 1kk8 h ILE 75 Ca 0.16 -1.25 -0.02 0.00 1.55 0.00 0.00 64.86 65.29 1kk8 h ILE 75 Cb 0.27 0.93 -0.00 0.00 -0.27 0.00 0.00 36.82 37.75 1kk8 h ILE 75 CO -0.34 0.45 -0.05 -0.26 -1.05 0.00 0.00 178.15 176.90 1kk8 h PHE 76 N 0.93 0.15 -0.63 0.16 -1.00 -1.02 -2.53 116.94 113.01 1kk8 h PHE 76 Ca 0.15 -0.04 0.12 0.00 2.81 0.00 0.00 57.97 61.00 1kk8 h PHE 76 Cb 0.66 -0.03 -0.09 0.00 3.61 0.00 0.00 35.95 40.10 1kk8 h PHE 76 CO 0.04 0.57 0.17 1.03 -1.61 0.00 0.00 178.31 178.51 1kk8 h SER 77 N -0.31 0.07 0.94 2.17 0.87 0.23 -0.19 113.55 117.34 1kk8 h SER 77 Ca 0.01 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1kk8 h SER 77 Cb 0.54 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1kk8 h SER 77 CO 0.01 0.04 0.00 0.47 -0.53 0.00 0.00 176.83 176.82 1kk8 n ASP 78 N -5.09 0.23 -0.00 6.23 9.92 -0.77 -3.11 116.55 123.96 1kk8 n ASP 78 Ca 0.10 0.53 -0.21 0.00 -0.53 0.00 0.00 54.79 54.68 1kk8 n ASP 78 Cb 0.33 -0.59 -0.14 0.00 -0.64 0.00 0.00 41.12 40.08 1kk8 n ASP 78 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1kk8 h LYS 79 N 0.00 0.23 -0.93 -1.24 1.63 -0.61 -3.33 116.57 112.32 1kk8 h LYS 79 Ca 0.00 -0.39 -0.09 0.00 -0.85 0.00 0.00 60.65 59.32 1kk8 h LYS 79 Cb 0.47 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 32.19 1kk8 h LYS 79 CO 0.00 1.18 0.12 1.28 -3.45 0.00 0.00 179.45 178.58 1kk8 n LEU 80 N -3.90 3.52 -4.87 5.20 4.77 -0.68 -4.86 117.00 116.17 1kk8 n LEU 80 Ca -0.27 -1.81 -0.37 0.00 -0.03 0.00 0.00 56.01 53.54 1kk8 n LEU 80 Cb 0.90 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1kk8 n LEU 80 CO 0.39 0.54 -0.14 -0.55 -1.33 0.00 0.00 177.39 176.30 1kk8 s SER 81 N -0.05 6.42 0.00 -1.43 0.15 -1.18 -4.52 113.70 113.09 1kk8 s SER 81 Ca 0.20 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1kk8 s SER 81 Cb 0.16 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1kk8 s SER 81 CO 0.05 0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.48 1kk8 n GLY 82 N 2.06 3.13 3.43 9.45 0.00 -1.26 -5.05 105.19 116.95 1kk8 n GLY 82 Ca -0.19 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1kk8 n GLY 82 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kk8 n THR 83 N 0.00 0.13 -2.96 2.61 -2.24 -1.26 -5.01 114.28 105.54 1kk8 n THR 83 Ca 0.00 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.33 1kk8 n THR 83 Cb 0.00 -0.65 -0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1kk8 n THR 83 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1kk8 s ASP 84 N -2.01 6.20 1.19 3.42 1.01 -1.26 -5.09 116.67 120.14 1kk8 s ASP 84 Ca 0.58 0.66 -0.18 0.00 0.71 0.00 0.00 52.55 54.32 1kk8 s ASP 84 Cb -0.22 -2.06 0.28 0.00 1.01 0.00 0.00 42.92 41.93 1kk8 s ASP 84 CO 0.66 -0.50 1.07 -0.94 0.21 0.00 0.00 175.17 175.67 1kk8 s SER 85 N -4.10 0.95 0.10 0.27 1.04 -1.26 -4.84 113.70 105.85 1kk8 s SER 85 Ca 0.45 0.89 -0.14 0.00 0.48 0.00 0.00 55.95 57.63 1kk8 s SER 85 Cb -0.10 -1.31 -0.12 0.00 0.10 0.00 0.00 66.02 64.59 1kk8 s SER 85 CO 0.41 -4.13 1.35 -0.08 0.98 0.00 0.00 173.24 171.76 1kk8 h GLU 86 N -2.58 0.76 -0.45 4.02 4.81 -1.97 -2.76 114.58 116.41 1kk8 h GLU 86 Ca -0.49 -0.52 -0.01 0.00 -0.13 0.00 0.00 59.36 58.21 1kk8 h GLU 86 Cb 1.32 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 1kk8 h GLU 86 CO 0.41 1.14 0.24 1.49 -0.73 0.00 0.00 179.01 181.56 1kk8 h GLU 87 N 0.49 0.62 -0.08 1.92 4.81 -1.98 0.17 114.58 120.53 1kk8 h GLU 87 Ca -0.01 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1kk8 h GLU 87 Cb 1.16 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1kk8 h GLU 87 CO 0.12 0.50 -0.04 1.15 -0.73 0.00 0.00 179.01 180.01 1kk8 h THR 88 N 0.58 0.88 -0.58 0.32 2.02 -1.93 0.31 112.91 114.51 1kk8 h THR 88 Ca 0.16 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 1kk8 h THR 88 Cb 0.06 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1kk8 h THR 88 CO -0.02 0.00 0.06 0.40 0.37 0.00 0.00 175.52 176.33 1kk8 h ILE 89 N -0.03 1.25 -0.67 3.11 2.04 -1.33 0.19 117.51 122.08 1kk8 h ILE 89 Ca 0.05 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 1kk8 h ILE 89 Cb 0.09 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1kk8 h ILE 89 CO -0.10 0.37 0.20 -0.09 0.00 0.00 0.00 178.15 178.53 1kk8 h ARG 90 N 0.89 1.03 0.00 2.37 2.43 -0.22 -2.14 114.38 118.75 1kk8 h ARG 90 Ca 0.18 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1kk8 h ARG 90 Cb 0.44 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1kk8 h ARG 90 CO 0.02 0.89 0.00 -0.91 -1.51 0.00 0.00 179.97 178.46 1kk8 h ASN 91 N 0.99 0.00 -0.02 -3.80 -0.26 0.28 -2.50 115.58 110.27 1kk8 h ASN 91 Ca 0.22 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.72 1kk8 h ASN 91 Cb 0.30 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.57 1kk8 h ASN 91 CO -0.01 0.00 -0.87 0.00 -1.06 0.00 0.00 177.43 175.50 1kk8 h ALA 92 N 2.10 0.29 -0.33 -0.83 0.00 -0.32 -3.14 119.26 117.04 1kk8 h ALA 92 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1kk8 h ALA 92 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1kk8 h ALA 92 CO 0.00 0.70 -0.34 0.74 0.00 0.00 0.00 179.25 180.35 1kk8 h PHE 93 N 0.45 0.86 0.00 0.00 0.04 -1.37 -2.97 116.94 113.95 1kk8 h PHE 93 Ca -0.08 -0.23 -0.00 0.00 2.80 0.00 0.00 57.97 60.46 1kk8 h PHE 93 Cb 1.50 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.46 1kk8 h PHE 93 CO 0.08 0.97 -0.00 0.00 -0.60 0.00 0.00 178.31 178.76 1kk8 h ALA 94 N 1.01 1.18 0.00 2.45 0.00 -1.41 -0.48 119.26 122.00 1kk8 h ALA 94 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1kk8 h ALA 94 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1kk8 h ALA 94 CO 0.08 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 1kk8 n MET 95 N -3.34 0.27 -0.04 0.00 2.81 -1.12 -2.31 117.12 113.38 1kk8 n MET 95 Ca -0.03 0.11 0.02 0.00 -1.81 0.00 0.00 57.70 55.98 1kk8 n MET 95 Cb 0.08 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.12 1kk8 n MET 95 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1kk8 n PHE 96 N -1.29 0.10 -3.79 2.03 3.01 -0.19 -4.80 117.46 112.53 1kk8 n PHE 96 Ca 0.09 -0.39 -0.29 0.00 1.01 0.00 0.00 57.45 57.87 1kk8 n PHE 96 Cb 0.15 -0.03 -0.12 0.00 -0.01 0.00 0.00 39.48 39.47 1kk8 n PHE 96 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1kk8 s ASP 97 N -0.84 3.93 0.25 4.37 2.15 -0.98 -4.96 116.67 120.59 1kk8 s ASP 97 Ca 0.06 -3.25 -0.01 0.00 0.43 0.00 0.00 52.55 49.78 1kk8 s ASP 97 Cb 0.03 -1.31 0.30 0.00 -0.30 0.00 0.00 42.92 41.65 1kk8 s ASP 97 CO 0.04 -0.17 1.67 1.05 -0.17 0.00 0.00 175.17 177.59 1kk8 h GLU 98 N 6.00 0.60 0.00 4.34 9.09 -1.87 -2.40 114.58 130.35 1kk8 h GLU 98 Ca 0.08 -0.24 0.00 0.00 0.05 0.00 0.00 59.36 59.25 1kk8 h GLU 98 Cb 0.85 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.92 1kk8 h GLU 98 CO 0.60 0.80 0.00 1.04 0.05 0.00 0.00 179.01 181.50 1kk8 n GLN 99 N -4.11 0.12 -3.85 1.06 1.13 -1.26 -4.87 117.38 105.60 1kk8 n GLN 99 Ca -0.00 0.17 -0.24 0.00 -1.94 0.00 0.00 57.00 54.99 1kk8 n GLN 99 Cb 0.42 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.27 1kk8 n GLN 99 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1kk8 n GLU 100 N -1.39 -3.82 0.00 -1.09 1.02 -0.90 -4.84 120.64 109.62 1kk8 n GLU 100 Ca 0.06 0.48 0.13 0.00 -0.02 0.00 0.00 57.16 57.81 1kk8 n GLU 100 Cb 0.16 -4.75 0.32 0.00 -0.02 0.00 0.00 31.44 27.15 1kk8 n GLU 100 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kk8 n THR 101 N -4.34 0.00 -1.36 2.62 -2.24 -1.26 -4.93 114.28 102.76 1kk8 n THR 101 Ca -0.30 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 1kk8 n THR 101 Cb 0.68 0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 1kk8 n THR 101 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kk8 n LYS 102 N -0.70 -0.68 -3.95 -0.78 4.76 -1.26 -5.00 118.16 110.54 1kk8 n LYS 102 Ca 0.11 0.81 -0.09 0.00 -2.87 0.00 0.00 58.31 56.27 1kk8 n LYS 102 Cb 0.36 -4.73 -0.08 0.00 -1.84 0.00 0.00 35.03 28.74 1kk8 n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1kk8 s LYS 103 N -2.97 0.91 -0.00 1.97 3.01 -1.26 -4.19 119.74 117.21 1kk8 s LYS 103 Ca 0.00 -1.11 0.04 0.00 -1.01 0.00 0.00 55.97 53.89 1kk8 s LYS 103 Cb 0.00 0.32 -0.01 0.00 -1.01 0.00 0.00 37.83 37.13 1kk8 s LYS 103 CO 0.00 -0.29 -0.13 -0.51 0.51 0.00 0.00 175.35 174.93 1kk8 s LEU 104 N -2.92 2.05 0.15 3.17 1.43 -0.40 -4.81 118.68 117.35 1kk8 s LEU 104 Ca 0.11 -0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 52.63 1kk8 s LEU 104 Cb 0.05 -0.66 -0.10 0.00 0.03 0.00 0.00 46.19 45.52 1kk8 s LEU 104 CO -0.06 0.14 1.59 0.20 0.23 0.00 0.00 176.35 178.44 1kk8 s ASN 105 N -0.44 6.58 0.26 2.29 0.01 -1.26 0.66 114.94 123.05 1kk8 s ASN 105 Ca 0.04 2.60 -0.02 0.00 -0.71 0.00 0.00 52.86 54.77 1kk8 s ASN 105 Cb -0.05 -2.59 0.56 0.00 0.41 0.00 0.00 41.25 39.58 1kk8 s ASN 105 CO -0.00 -0.84 1.67 -0.29 -1.51 0.00 0.00 177.10 176.13 1kk8 h ILE 106 N 4.15 0.44 -0.77 0.60 6.09 -0.79 0.55 117.51 127.78 1kk8 h ILE 106 Ca -0.43 -0.09 -0.05 0.00 -1.37 0.00 0.00 64.86 62.93 1kk8 h ILE 106 Cb 1.20 0.16 -0.03 0.00 0.47 0.00 0.00 36.82 38.62 1kk8 h ILE 106 CO 0.92 0.05 0.29 -0.33 -3.07 0.00 0.00 178.15 176.00 1kk8 h GLU 107 N 0.26 1.16 0.27 2.19 3.07 -1.90 -2.50 114.58 117.13 1kk8 h GLU 107 Ca 0.47 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 1kk8 h GLU 107 Cb 0.87 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1kk8 h GLU 107 CO -0.57 0.95 -0.13 -0.92 -1.40 0.00 0.00 179.01 176.94 1kk8 h TYR 108 N 1.12 -0.33 -0.75 4.33 3.20 -1.29 -0.86 116.97 122.39 1kk8 h TYR 108 Ca 0.25 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1kk8 h TYR 108 Cb 0.24 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 1kk8 h TYR 108 CO 0.02 -0.08 0.41 0.97 -1.64 0.00 0.00 178.16 177.83 1kk8 h ILE 109 N -0.54 1.22 -0.60 1.81 6.09 -1.26 0.15 117.51 124.38 1kk8 h ILE 109 Ca -0.04 -0.56 -0.08 0.00 -1.37 0.00 0.00 64.86 62.81 1kk8 h ILE 109 Cb 0.40 0.21 -0.02 0.00 0.47 0.00 0.00 36.82 37.88 1kk8 h ILE 109 CO 0.06 0.25 0.05 0.11 -3.07 0.00 0.00 178.15 175.56 1kk8 h LYS 110 N 1.05 1.01 -0.17 2.19 1.57 -1.44 -1.14 116.57 119.65 1kk8 h LYS 110 Ca 0.26 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1kk8 h LYS 110 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1kk8 h LYS 110 CO -0.04 0.98 0.01 0.22 -0.57 0.00 0.00 179.45 180.04 1kk8 h ASP 111 N 0.91 -0.04 -0.51 0.86 -0.00 -0.43 -1.38 116.42 115.84 1kk8 h ASP 111 Ca 0.18 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.24 1kk8 h ASP 111 Cb 0.48 0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 39.84 1kk8 h ASP 111 CO 0.02 0.00 0.32 -0.07 -0.00 0.00 0.00 179.24 179.51 1kk8 h LEU 112 N 0.07 0.61 -0.46 2.28 3.38 -0.69 -1.92 115.31 118.57 1kk8 h LEU 112 Ca 0.08 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1kk8 h LEU 112 Cb 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1kk8 h LEU 112 CO -0.12 0.47 -0.71 -0.07 0.09 0.00 0.00 178.44 178.10 1kk8 h LEU 113 N 0.69 0.41 0.03 1.67 3.38 -0.96 -3.12 115.31 117.40 1kk8 h LEU 113 Ca 0.19 -0.26 -0.34 0.00 0.09 0.00 0.00 57.88 57.55 1kk8 h LEU 113 Cb -0.04 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1kk8 h LEU 113 CO -0.04 0.99 -2.03 1.21 0.09 0.00 0.00 178.44 178.66 1kk8 n GLU 114 N -3.83 0.68 -0.02 1.13 2.13 -0.54 -1.77 120.64 118.41 1kk8 n GLU 114 Ca -0.04 0.20 0.08 0.00 0.66 0.00 0.00 57.16 58.06 1kk8 n GLU 114 Cb 0.69 -1.68 0.08 0.00 0.27 0.00 0.00 31.44 30.80 1kk8 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1kk8 n ASN 115 N -3.09 2.38 -3.73 4.31 3.02 -0.72 -4.00 115.26 113.42 1kk8 n ASN 115 Ca -0.28 -1.67 -0.20 0.00 -0.03 0.00 0.00 54.58 52.40 1kk8 n ASN 115 Cb 1.07 -0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 40.13 1kk8 n ASN 115 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1kk8 s MET 116 N -1.26 1.71 4.97 3.52 -1.94 -1.18 -4.95 119.30 120.18 1kk8 s MET 116 Ca 0.19 -2.00 0.00 0.00 -1.71 0.00 0.00 55.69 52.17 1kk8 s MET 116 Cb 0.13 0.02 0.00 0.00 2.01 0.00 0.00 34.83 37.00 1kk8 s MET 116 CO 0.19 -0.55 0.00 0.41 -0.01 0.00 0.00 175.02 175.07 1kk8 n GLY 117 N -0.65 3.16 3.37 -0.03 0.00 -1.26 -2.69 105.19 107.09 1kk8 n GLY 117 Ca 0.03 -0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 1kk8 n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kk8 s ASP 118 N -4.00 6.57 0.06 1.61 1.01 -1.26 -5.00 116.67 115.66 1kk8 s ASP 118 Ca 0.00 -2.18 -0.37 0.00 0.71 0.00 0.00 52.55 50.71 1kk8 s ASP 118 Cb 0.00 -2.29 -0.17 0.00 1.01 0.00 0.00 42.92 41.48 1kk8 s ASP 118 CO 0.00 -0.85 1.36 0.59 0.21 0.00 0.00 175.17 176.48 1kk8 n ASN 119 N 5.32 1.64 -4.75 0.27 4.13 -1.10 -4.95 115.26 115.82 1kk8 n ASN 119 Ca 0.10 1.12 -0.40 0.00 1.68 0.00 0.00 54.58 57.08 1kk8 n ASN 119 Cb 0.46 -1.18 -0.05 0.00 -1.54 0.00 0.00 39.78 37.48 1kk8 n ASN 119 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1kk8 s PHE 120 N 0.66 3.77 0.93 3.10 0.40 -0.73 -5.00 117.98 121.11 1kk8 s PHE 120 Ca 0.86 1.78 -0.14 0.00 -0.60 0.00 0.00 56.93 58.83 1kk8 s PHE 120 Cb -0.97 -3.14 0.15 0.00 0.51 0.00 0.00 43.02 39.57 1kk8 s PHE 120 CO 0.48 -0.09 1.19 0.54 0.70 0.00 0.00 175.22 178.05 1kk8 s ASN 121 N -0.78 3.39 0.65 1.36 4.22 -1.26 -4.71 114.94 117.81 1kk8 s ASN 121 Ca 0.44 0.70 0.41 0.00 -2.14 0.00 0.00 52.86 52.28 1kk8 s ASN 121 Cb -0.28 -1.09 2.29 0.00 1.28 0.00 0.00 41.25 43.45 1kk8 s ASN 121 CO 0.35 -2.60 2.35 0.07 -2.04 0.00 0.00 177.10 175.23 1kk8 h LYS 122 N -1.54 0.00 0.17 3.55 5.09 -1.98 -2.61 116.57 119.25 1kk8 h LYS 122 Ca -0.47 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 59.94 1kk8 h LYS 122 Cb 1.30 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.64 1kk8 h LYS 122 CO 0.54 0.00 -1.57 -0.44 -2.09 0.00 0.00 179.45 175.89 1kk8 h ASP 123 N 0.00 0.55 -0.65 7.07 3.32 -1.99 -2.66 116.42 122.06 1kk8 h ASP 123 Ca -0.00 -0.73 -0.01 0.00 0.02 0.00 0.00 57.03 56.31 1kk8 h ASP 123 Cb 0.01 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1kk8 h ASP 123 CO 0.00 1.60 0.39 -0.33 -1.72 0.00 0.00 179.24 179.18 1kk8 h GLU 124 N 0.10 0.91 -0.29 3.56 5.08 -1.83 0.60 114.58 122.70 1kk8 h GLU 124 Ca -0.27 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1kk8 h GLU 124 Cb 2.07 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 1kk8 h GLU 124 CO 0.19 0.65 0.05 0.52 -1.00 0.00 0.00 179.01 179.42 1kk8 h MET 125 N 0.92 0.48 -0.54 2.33 2.86 -1.54 -0.75 114.93 118.69 1kk8 h MET 125 Ca 0.24 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1kk8 h MET 125 Cb -0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1kk8 h MET 125 CO -0.04 0.58 0.18 -0.09 1.06 0.00 0.00 176.91 178.60 1kk8 h ARG 126 N 0.30 0.82 0.00 1.72 2.43 -1.00 -1.62 114.38 117.03 1kk8 h ARG 126 Ca 0.09 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1kk8 h ARG 126 Cb 0.33 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1kk8 h ARG 126 CO 0.01 0.74 -0.38 0.52 -1.51 0.00 0.00 179.97 179.34 1kk8 h MET 127 N 0.73 0.00 0.05 0.20 2.86 -0.84 -1.83 114.93 116.10 1kk8 h MET 127 Ca 0.17 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.64 1kk8 h MET 127 Cb 0.25 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.93 1kk8 h MET 127 CO -0.01 0.38 -0.72 1.15 1.06 0.00 0.00 176.91 178.77 1kk8 h THR 128 N 0.00 1.44 -0.02 2.22 2.02 -0.79 -3.34 112.91 114.45 1kk8 h THR 128 Ca -0.00 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.93 1kk8 h THR 128 Cb 0.83 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 1kk8 h THR 128 CO 0.05 0.65 -0.13 0.49 0.37 0.00 0.00 175.52 176.95 1kk8 n PHE 129 N -4.15 0.00 -0.21 3.16 3.72 -0.64 -3.77 117.46 115.58 1kk8 n PHE 129 Ca -0.12 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.25 1kk8 n PHE 129 Cb 0.75 -0.03 0.07 0.00 -0.94 0.00 0.00 39.48 39.33 1kk8 n PHE 129 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1kk8 h LYS 130 N 2.48 0.62 -0.10 -1.08 3.64 -1.45 -3.09 116.57 117.59 1kk8 h LYS 130 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1kk8 h LYS 130 Cb 0.62 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1kk8 h LYS 130 CO 0.00 0.41 0.00 0.39 -2.27 0.00 0.00 179.45 177.98 1kk8 n GLU 131 N -4.80 2.90 -1.86 1.90 1.02 -1.26 -5.03 120.64 113.50 1kk8 n GLU 131 Ca 0.07 -1.72 -0.41 0.00 -0.02 0.00 0.00 57.16 55.07 1kk8 n GLU 131 Cb 0.14 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1kk8 n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kk8 s ALA 132 N -1.10 3.70 -0.44 0.62 0.00 -1.17 -4.92 121.76 118.46 1kk8 s ALA 132 Ca 0.08 1.48 -0.28 0.00 0.00 0.00 0.00 51.96 53.24 1kk8 s ALA 132 Cb 0.05 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1kk8 s ALA 132 CO 0.05 -0.90 1.51 -1.25 0.00 0.00 0.00 175.76 175.17 1kk8 s PRO 133 N -0.48 3.43 -0.03 0.00 0.04 -1.26 -4.98 135.00 131.71 1kk8 s PRO 133 Ca 0.62 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.59 1kk8 s PRO 133 Cb -0.46 -4.09 0.01 0.00 0.04 0.00 0.00 34.50 30.00 1kk8 s PRO 133 CO 0.46 -1.75 -0.05 0.08 0.04 0.00 0.00 177.00 175.78 1kk8 s VAL 134 N 6.01 0.52 -0.15 -0.36 1.01 -1.26 -2.44 120.40 123.72 1kk8 s VAL 134 Ca 0.63 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 1kk8 s VAL 134 Cb -0.15 -0.52 0.04 0.00 0.00 0.00 0.00 36.38 35.76 1kk8 s VAL 134 CO 0.31 0.20 0.40 -1.83 0.00 0.00 0.00 175.10 174.18 1kk8 s GLU 135 N 0.59 0.45 -1.42 2.72 4.04 -0.92 -4.89 118.70 119.28 1kk8 s GLU 135 Ca -0.08 0.60 -0.04 0.00 0.04 0.00 0.00 54.97 55.49 1kk8 s GLU 135 Cb -0.11 0.17 0.02 0.00 0.02 0.00 0.00 34.13 34.23 1kk8 s GLU 135 CO 0.00 -0.08 0.33 0.41 -1.84 0.00 0.00 175.26 174.09 1kk8 n GLY 136 N 3.15 -0.51 2.46 -3.83 0.00 -1.26 -1.06 105.19 104.14 1kk8 n GLY 136 Ca -0.15 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1kk8 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kk8 n GLY 137 N -1.19 0.27 3.58 -0.02 0.00 -1.26 -5.00 105.19 101.59 1kk8 n GLY 137 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1kk8 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kk8 s LYS 138 N -0.91 3.24 -0.29 1.61 1.02 -0.23 -0.05 119.74 124.14 1kk8 s LYS 138 Ca 0.00 -0.48 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 1kk8 s LYS 138 Cb 0.00 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1kk8 s LYS 138 CO 0.00 0.49 0.32 0.12 -0.92 0.00 0.00 175.35 175.36 1kk8 s PHE 139 N -0.32 3.23 -1.09 3.18 5.36 0.21 -2.16 117.98 126.39 1kk8 s PHE 139 Ca 0.06 0.21 -0.20 0.00 -0.96 0.00 0.00 56.93 56.04 1kk8 s PHE 139 Cb -0.12 -2.54 0.09 0.00 -0.34 0.00 0.00 43.02 40.10 1kk8 s PHE 139 CO 0.02 -0.26 1.45 0.34 -1.46 0.00 0.00 175.22 175.31 1kk8 s ASP 140 N 1.70 6.68 0.48 6.13 -1.08 -1.02 -1.27 116.67 128.28 1kk8 s ASP 140 Ca 0.12 -2.00 0.22 0.00 -0.52 0.00 0.00 52.55 50.37 1kk8 s ASP 140 Cb -0.16 -2.51 1.21 0.00 -1.46 0.00 0.00 42.92 39.99 1kk8 s ASP 140 CO 0.11 -1.24 2.00 0.10 0.52 0.00 0.00 175.17 176.65 1kk8 h TYR 141 N 8.75 0.00 -0.19 -5.34 -0.00 -1.89 -0.75 116.97 117.55 1kk8 h TYR 141 Ca 0.26 0.00 -0.18 0.00 -0.00 0.00 0.00 58.73 58.82 1kk8 h TYR 141 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.69 1kk8 h TYR 141 CO 1.27 0.18 -0.60 -0.39 -0.00 0.00 0.00 178.16 178.63 1kk8 h VAL 142 N 0.00 1.31 -0.10 -0.90 -1.51 -1.89 0.78 116.25 113.95 1kk8 h VAL 142 Ca -0.00 -1.85 -0.11 0.00 -1.23 0.00 0.00 66.70 63.51 1kk8 h VAL 142 Cb 0.42 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1kk8 h VAL 142 CO 0.02 0.58 -0.38 0.50 -1.23 0.00 0.00 177.57 177.06 1kk8 h LYS 143 N 0.47 0.43 0.00 5.19 3.64 -1.88 -2.13 116.57 122.29 1kk8 h LYS 143 Ca -0.00 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1kk8 h LYS 143 Cb 1.17 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1kk8 h LYS 143 CO 0.12 0.96 -0.10 0.35 -2.27 0.00 0.00 179.45 178.51 1kk8 h PHE 144 N -0.02 0.00 -0.02 1.91 3.04 -1.08 -0.48 116.94 120.29 1kk8 h PHE 144 Ca -0.02 0.00 -0.20 0.00 3.98 0.00 0.00 57.97 61.73 1kk8 h PHE 144 Cb 1.02 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.54 1kk8 h PHE 144 CO 0.12 0.10 -0.75 1.15 -2.02 0.00 0.00 178.31 176.91 1kk8 h THR 145 N 0.00 1.36 -0.59 4.41 2.02 -0.72 -1.31 112.91 118.08 1kk8 h THR 145 Ca -0.00 -2.09 -0.02 0.00 0.77 0.00 0.00 66.41 65.07 1kk8 h THR 145 Cb 0.21 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1kk8 h THR 145 CO 0.01 0.63 0.29 0.00 0.37 0.00 0.00 175.52 176.82 1kk8 h ALA 146 N 0.38 1.40 -0.14 6.16 0.00 -0.77 -2.07 119.26 124.22 1kk8 h ALA 146 Ca -0.09 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 1kk8 h ALA 146 Cb 1.43 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1kk8 h ALA 146 CO 0.15 0.48 -0.63 1.98 0.00 0.00 0.00 179.25 181.22 1kk8 h MET 147 N 0.83 0.51 -0.20 0.00 1.85 -1.05 0.48 114.93 117.35 1kk8 h MET 147 Ca 0.21 -0.36 -0.20 0.00 -0.61 0.00 0.00 59.70 58.73 1kk8 h MET 147 Cb 0.08 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.17 1kk8 h MET 147 CO -0.03 0.98 -0.68 0.97 -0.40 0.00 0.00 176.91 177.76 1kk8 h ILE 148 N 0.38 1.29 -0.09 1.77 2.10 -0.90 -3.15 117.51 118.91 1kk8 h ILE 148 Ca -0.01 -1.89 -0.04 0.00 1.08 0.00 0.00 64.86 64.00 1kk8 h ILE 148 Cb 1.20 1.85 -0.03 0.00 -1.09 0.00 0.00 36.82 38.75 1kk8 h ILE 148 CO 0.12 0.60 0.05 0.29 -1.08 0.00 0.00 178.15 178.13 1kk8 n LYS 149 N -3.95 1.13 0.00 2.19 4.76 -0.81 -4.84 118.16 116.64 1kk8 n LYS 149 Ca -0.06 -0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.11 1kk8 n LYS 149 Cb 0.69 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 1kk8 n LYS 149 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kk8 n GLY 150 N 0.33 2.64 0.00 0.72 0.00 -1.19 -5.02 105.19 102.67 1kk8 n GLY 150 Ca 0.05 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1kk8 n GLY 150 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76