#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kk7 n LEU 12 N 0.00 0.08 0.00 -0.35 4.32 -1.26 -4.91 117.00 114.87 1kk7 n LEU 12 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1kk7 n LEU 12 Cb 0.00 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1kk7 n LEU 12 CO 0.00 -0.16 0.00 -2.65 -1.22 0.00 0.00 177.39 173.36 1kk7 n PRO 13 N 1.81 1.68 -0.00 3.23 -0.02 -1.26 -4.36 135.00 136.07 1kk7 n PRO 13 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1kk7 n PRO 13 Cb 0.00 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 33.78 1kk7 n PRO 13 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1kk7 h GLN 14 N 0.00 0.53 -0.22 -0.52 1.08 -1.98 -2.36 115.11 111.65 1kk7 h GLN 14 Ca 0.00 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1kk7 h GLN 14 Cb 0.00 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1kk7 h GLN 14 CO 0.00 0.55 0.12 -0.22 -0.95 0.00 0.00 178.83 178.32 1kk7 h LYS 15 N 0.52 0.24 0.00 1.46 3.11 -2.01 -1.46 116.57 118.43 1kk7 h LYS 15 Ca 0.11 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1kk7 h LYS 15 Cb 0.31 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 1kk7 h LYS 15 CO 0.01 0.16 -0.23 1.96 -2.81 0.00 0.00 179.45 178.53 1kk7 h GLN 16 N 0.25 0.00 0.25 1.90 1.08 -1.82 -3.16 115.11 113.61 1kk7 h GLN 16 Ca 0.09 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1kk7 h GLN 16 Cb 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1kk7 h GLN 16 CO -0.05 0.23 -0.20 0.82 -0.95 0.00 0.00 178.83 178.68 1kk7 h ILE 17 N 0.00 0.56 0.00 2.54 1.08 -0.71 1.31 117.51 122.29 1kk7 h ILE 17 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1kk7 h ILE 17 Cb 0.90 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1kk7 h ILE 17 CO 0.03 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.49 1kk7 n GLN 18 N -5.33 0.18 -0.06 2.37 1.13 -0.94 -3.36 117.38 111.37 1kk7 n GLN 18 Ca -0.09 0.11 -0.05 0.00 -1.94 0.00 0.00 57.00 55.03 1kk7 n GLN 18 Cb 0.24 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.07 1kk7 n GLN 18 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1kk7 n GLU 19 N -1.38 0.40 -0.39 -1.09 -0.00 -0.47 -4.32 120.64 113.40 1kk7 n GLU 19 Ca 0.08 0.39 0.36 0.00 -0.00 0.00 0.00 57.16 57.98 1kk7 n GLU 19 Cb 0.20 -1.47 0.62 0.00 -0.00 0.00 0.00 31.44 30.79 1kk7 n GLU 19 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1kk7 n MET 20 N -4.23 -0.05 -0.00 3.44 2.00 0.44 -1.06 117.12 117.67 1kk7 n MET 20 Ca -0.08 1.28 -0.00 0.00 0.00 0.00 0.00 57.70 58.90 1kk7 n MET 20 Cb 0.29 -2.41 -0.00 0.00 0.00 0.00 0.00 33.22 31.10 1kk7 n MET 20 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1kk7 h LYS 21 N 0.00 -0.01 0.00 0.03 1.57 -1.74 -2.05 116.57 114.36 1kk7 h LYS 21 Ca 0.84 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.62 1kk7 h LYS 21 Cb 2.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.82 1kk7 h LYS 21 CO -0.59 -0.01 -0.00 1.05 -0.57 0.00 0.00 179.45 179.33 1kk7 h GLU 22 N -0.02 0.00 0.00 3.15 9.09 -1.29 -2.54 114.58 122.98 1kk7 h GLU 22 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1kk7 h GLU 22 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 1kk7 h GLU 22 CO -0.01 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.05 1kk7 n ALA 23 N -2.09 -0.08 -0.37 1.06 0.00 -0.79 0.14 120.51 118.38 1kk7 n ALA 23 Ca -0.02 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.70 1kk7 n ALA 23 Cb 0.16 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.15 1kk7 n ALA 23 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1kk7 h PHE 24 N 0.00 0.70 -0.28 0.00 3.57 -1.59 2.03 116.94 121.39 1kk7 h PHE 24 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1kk7 h PHE 24 Cb 0.00 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1kk7 h PHE 24 CO 0.04 -0.10 -0.00 0.77 -2.23 0.00 0.00 178.31 176.78 1kk7 h SER 25 N 0.28 0.39 -0.56 0.41 0.02 -1.37 0.85 113.55 113.56 1kk7 h SER 25 Ca 0.71 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 1kk7 h SER 25 Cb 1.90 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.34 1kk7 h SER 25 CO -0.43 0.46 0.00 0.23 -1.14 0.00 0.00 176.83 175.94 1kk7 n MET 26 N -4.31 3.66 -0.00 3.45 2.81 0.68 -4.14 117.12 119.26 1kk7 n MET 26 Ca 0.01 -2.57 -0.03 0.00 -1.81 0.00 0.00 57.70 53.30 1kk7 n MET 26 Cb 0.22 -1.91 -0.01 0.00 -0.71 0.00 0.00 33.22 30.81 1kk7 n MET 26 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1kk7 n ILE 27 N 0.87 0.50 -1.58 2.02 -5.35 -0.48 -4.99 119.36 110.35 1kk7 n ILE 27 Ca 0.23 0.08 -0.44 0.00 -0.27 0.00 0.00 62.75 62.35 1kk7 n ILE 27 Cb 0.87 -1.58 -0.04 0.00 -1.74 0.00 0.00 39.64 37.15 1kk7 n ILE 27 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1kk7 n ASP 28 N -3.28 3.11 0.08 7.28 2.03 0.24 -4.45 116.55 121.56 1kk7 n ASP 28 Ca -0.05 0.24 -0.04 0.00 0.52 0.00 0.00 54.79 55.46 1kk7 n ASP 28 Cb 0.40 -1.51 0.17 0.00 -0.72 0.00 0.00 41.12 39.46 1kk7 n ASP 28 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1kk7 h VAL 29 N 7.12 1.34 -0.05 5.18 3.04 -1.84 -3.27 116.25 127.78 1kk7 h VAL 29 Ca -0.39 -1.70 0.00 0.00 -1.01 0.00 0.00 66.70 63.60 1kk7 h VAL 29 Cb 1.25 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 32.32 1kk7 h VAL 29 CO 0.97 0.51 0.00 -0.90 -1.01 0.00 0.00 177.57 177.14 1kk7 n ASP 30 N -3.97 1.33 -3.74 3.17 3.85 -1.26 -5.00 116.55 110.93 1kk7 n ASP 30 Ca -0.02 -1.49 -0.31 0.00 -0.71 0.00 0.00 54.79 52.26 1kk7 n ASP 30 Cb 0.54 -0.02 0.03 0.00 -1.35 0.00 0.00 41.12 40.31 1kk7 n ASP 30 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 1kk7 n ARG 31 N 0.05 -1.04 0.00 0.11 -4.01 -1.23 -4.94 116.66 105.60 1kk7 n ARG 31 Ca 0.19 0.51 0.00 0.00 -1.04 0.00 0.00 57.85 57.50 1kk7 n ARG 31 Cb 0.31 -3.56 0.00 0.00 -3.04 0.00 0.00 32.46 26.17 1kk7 n ARG 31 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1kk7 n ASP 32 N -2.46 0.78 0.00 2.89 5.75 -1.26 -4.98 116.55 117.26 1kk7 n ASP 32 Ca -0.13 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 1kk7 n ASP 32 Cb 0.59 0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1kk7 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kk7 n GLY 33 N 0.18 2.89 3.37 6.12 0.00 -1.26 -4.95 105.19 111.53 1kk7 n GLY 33 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1kk7 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kk7 s PHE 34 N -2.20 3.27 0.16 1.61 0.08 -1.26 -4.62 117.98 115.02 1kk7 s PHE 34 Ca 0.00 -1.04 -0.34 0.00 0.12 0.00 0.00 56.93 55.67 1kk7 s PHE 34 Cb 0.00 -3.02 -0.14 0.00 -0.57 0.00 0.00 43.02 39.28 1kk7 s PHE 34 CO 0.00 -0.78 1.50 0.28 -0.10 0.00 0.00 175.22 176.12 1kk7 n VAL 35 N 5.12 0.18 -2.86 -0.44 0.31 -1.24 -4.98 118.33 114.41 1kk7 n VAL 35 Ca -0.12 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1kk7 n VAL 35 Cb 0.44 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1kk7 n VAL 35 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1kk7 n SER 36 N 3.03 0.51 -0.00 4.52 3.41 -1.26 -4.77 113.62 119.05 1kk7 n SER 36 Ca 0.16 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.82 1kk7 n SER 36 Cb 0.28 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 1kk7 n SER 36 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1kk7 n LYS 37 N 0.00 2.39 0.20 4.33 0.00 -1.26 -4.35 118.16 119.47 1kk7 n LYS 37 Ca 0.00 -0.04 0.14 0.00 -0.00 0.00 0.00 58.31 58.42 1kk7 n LYS 37 Cb 0.00 -1.07 0.55 0.00 -0.00 0.00 0.00 35.03 34.51 1kk7 n LYS 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1kk7 h GLU 38 N 0.00 0.00 0.55 -1.58 4.11 -1.98 -2.88 114.58 112.80 1kk7 h GLU 38 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1kk7 h GLU 38 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1kk7 h GLU 38 CO 0.00 0.00 -0.26 -0.44 0.07 0.00 0.00 179.01 178.38 1kk7 h ASP 39 N 0.00 -0.63 0.00 3.06 3.32 -1.81 -3.11 116.42 117.24 1kk7 h ASP 39 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1kk7 h ASP 39 Cb 0.49 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1kk7 h ASP 39 CO 0.00 -0.24 -0.01 -0.38 -1.72 0.00 0.00 179.24 176.89 1kk7 n ILE 40 N -5.12 1.34 0.00 0.35 5.41 -1.09 -2.07 119.36 118.17 1kk7 n ILE 40 Ca -0.09 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.24 1kk7 n ILE 40 Cb 0.29 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 1kk7 n ILE 40 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1kk7 n LYS 41 N 1.87 0.43 -0.01 0.38 5.02 -1.18 -4.59 118.16 120.07 1kk7 n LYS 41 Ca 0.05 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.34 1kk7 n LYS 41 Cb 0.35 -0.58 -0.04 0.00 -0.02 0.00 0.00 35.03 34.74 1kk7 n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kk7 n ALA 42 N -1.02 2.08 0.09 7.82 0.00 -1.03 -4.62 120.51 123.84 1kk7 n ALA 42 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 1kk7 n ALA 42 Cb 0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 1kk7 n ALA 42 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1kk7 h ILE 43 N 0.00 1.40 -0.30 0.00 6.09 -1.63 -3.35 117.51 119.71 1kk7 h ILE 43 Ca -0.05 -2.67 0.07 0.00 -1.37 0.00 0.00 64.86 60.83 1kk7 h ILE 43 Cb 0.66 2.69 -0.07 0.00 0.47 0.00 0.00 36.82 40.57 1kk7 h ILE 43 CO 0.00 0.79 -0.12 0.28 -3.07 0.00 0.00 178.15 176.03 1kk7 h SER 44 N 0.18 -0.43 0.00 2.19 0.02 -1.82 -2.20 113.55 111.50 1kk7 h SER 44 Ca -0.13 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1kk7 h SER 44 Cb 1.81 0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.60 1kk7 h SER 44 CO 0.20 -0.16 0.00 -0.62 -1.14 0.00 0.00 176.83 175.11 1kk7 n GLU 45 N -5.30 0.50 0.06 3.45 4.71 -1.26 -3.33 120.64 119.47 1kk7 n GLU 45 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.19 1kk7 n GLU 45 Cb 0.22 -1.25 -0.06 0.00 -1.01 0.00 0.00 31.44 29.34 1kk7 n GLU 45 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1kk7 n GLN 46 N 1.12 0.62 -0.81 3.49 10.64 -0.83 -4.63 117.38 126.98 1kk7 n GLN 46 Ca 0.00 0.19 -0.05 0.00 -1.83 0.00 0.00 57.00 55.32 1kk7 n GLN 46 Cb 0.25 -1.82 -0.05 0.00 -0.86 0.00 0.00 30.24 27.77 1kk7 n GLN 46 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1kk7 n LEU 47 N -2.82 -0.66 0.00 2.61 -0.00 -1.21 -5.15 117.00 109.77 1kk7 n LEU 47 Ca -0.07 -1.51 0.00 0.00 -0.00 0.00 0.00 56.01 54.44 1kk7 n LEU 47 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 1kk7 n LEU 47 CO 0.42 1.25 0.00 0.61 -0.00 0.00 0.00 177.39 179.67 1kk7 n GLY 48 N 0.00 -0.72 3.61 1.47 0.00 -1.25 -5.12 105.19 103.18 1kk7 n GLY 48 Ca -0.18 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1kk7 n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kk7 s ARG 49 N -0.57 3.96 0.55 1.61 3.00 -1.26 -4.36 118.95 121.88 1kk7 s ARG 49 Ca 0.00 -0.33 -0.22 0.00 -1.00 0.00 0.00 55.73 54.18 1kk7 s ARG 49 Cb 0.00 -3.44 -0.05 0.00 0.00 0.00 0.00 34.95 31.46 1kk7 s ARG 49 CO 0.00 0.04 1.34 0.00 0.00 0.00 0.00 175.30 176.69 1kk7 n ALA 50 N 4.31 1.53 -1.75 6.12 0.00 -1.26 -4.86 120.51 124.59 1kk7 n ALA 50 Ca -0.15 0.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 1kk7 n ALA 50 Cb 0.52 -2.35 0.04 0.00 0.00 0.00 0.00 19.45 17.66 1kk7 n ALA 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1kk7 s PRO 51 N -2.88 3.11 0.22 0.00 0.02 -1.26 -4.95 135.00 129.26 1kk7 s PRO 51 Ca 0.72 2.16 -0.12 0.00 0.02 0.00 0.00 61.00 63.78 1kk7 s PRO 51 Cb -0.42 -2.21 -0.07 0.00 0.02 0.00 0.00 34.50 31.82 1kk7 s PRO 51 CO 0.49 -1.19 0.58 -0.51 -0.33 0.00 0.00 177.00 176.04 1kk7 s ASP 52 N -1.07 6.71 0.00 2.53 1.01 -1.26 -4.72 116.67 119.87 1kk7 s ASP 52 Ca 0.72 1.03 0.00 0.00 0.71 0.00 0.00 52.55 55.01 1kk7 s ASP 52 Cb -0.39 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1kk7 s ASP 52 CO 0.45 -0.04 0.00 -0.90 0.21 0.00 0.00 175.17 174.89 1kk7 n ASP 53 N 0.10 0.00 0.01 0.27 5.68 -1.26 0.83 116.55 122.18 1kk7 n ASP 53 Ca -0.01 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.16 1kk7 n ASP 53 Cb 0.52 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.43 1kk7 n ASP 53 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1kk7 h LYS 54 N 0.00 0.05 0.00 0.11 2.10 -2.01 -2.82 116.57 114.00 1kk7 h LYS 54 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1kk7 h LYS 54 Cb 0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1kk7 h LYS 54 CO 0.00 0.21 0.00 1.05 -2.00 0.00 0.00 179.45 178.71 1kk7 h GLU 55 N -0.12 0.00 -0.01 0.07 9.09 0.08 -2.21 114.58 121.48 1kk7 h GLU 55 Ca 0.01 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.19 1kk7 h GLU 55 Cb 0.18 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.30 1kk7 h GLU 55 CO -0.00 0.00 -0.89 -0.07 0.05 0.00 0.00 179.01 178.10 1kk7 h LEU 56 N 0.00 0.80 -0.54 3.06 3.38 -1.32 -3.03 115.31 117.66 1kk7 h LEU 56 Ca 0.00 -0.73 -0.16 0.00 0.09 0.00 0.00 57.88 57.08 1kk7 h LEU 56 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1kk7 h LEU 56 CO 0.00 1.43 -0.71 0.74 0.09 0.00 0.00 178.44 180.00 1kk7 h THR 57 N 0.26 1.45 -0.48 0.22 2.02 -1.26 -3.00 112.91 112.13 1kk7 h THR 57 Ca -0.11 -2.28 -0.09 0.00 0.77 0.00 0.00 66.41 64.70 1kk7 h THR 57 Cb 1.56 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 1kk7 h THR 57 CO 0.18 0.66 -0.07 0.00 0.37 0.00 0.00 175.52 176.66 1kk7 h ALA 58 N 1.18 0.98 -0.00 6.16 0.00 -1.45 0.78 119.26 126.91 1kk7 h ALA 58 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1kk7 h ALA 58 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1kk7 h ALA 58 CO 0.10 0.61 -0.17 0.00 0.00 0.00 0.00 179.25 179.79 1kk7 n MET 59 N -4.17 0.21 -0.02 0.00 0.00 -1.15 -2.74 117.12 109.25 1kk7 n MET 59 Ca 0.02 -0.07 0.04 0.00 0.00 0.00 0.00 57.70 57.70 1kk7 n MET 59 Cb 0.35 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 31.96 1kk7 n MET 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1kk7 n LEU 60 N -1.34 0.00 0.05 3.17 4.77 -0.94 -4.45 117.00 118.25 1kk7 n LEU 60 Ca 0.09 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1kk7 n LEU 60 Cb 0.32 0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1kk7 n LEU 60 CO 0.28 0.07 -0.05 0.07 -1.33 0.00 0.00 177.39 176.43 1kk7 h LYS 61 N 0.00 0.04 0.00 3.23 2.10 0.53 -3.27 116.57 119.20 1kk7 h LYS 61 Ca -0.08 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1kk7 h LYS 61 Cb 0.94 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1kk7 h LYS 61 CO 0.00 0.92 0.15 -0.85 -2.00 0.00 0.00 179.45 177.68 1kk7 n GLU 62 N -3.31 0.01 -3.97 0.07 0.00 -1.11 -4.19 120.64 108.15 1kk7 n GLU 62 Ca -0.06 0.39 -0.30 0.00 0.00 0.00 0.00 57.16 57.20 1kk7 n GLU 62 Cb 0.98 -1.70 -0.16 0.00 0.00 0.00 0.00 31.44 30.56 1kk7 n GLU 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1kk7 s ALA 63 N -2.81 1.83 0.05 -1.84 0.00 -1.24 -5.08 121.76 112.66 1kk7 s ALA 63 Ca -0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 1kk7 s ALA 63 Cb 0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1kk7 s ALA 63 CO 0.02 -0.74 0.99 -2.14 0.00 0.00 0.00 175.76 173.89 1kk7 s PRO 64 N 1.48 4.60 0.62 0.00 0.01 -1.26 -4.77 135.00 135.68 1kk7 s PRO 64 Ca 0.00 1.46 0.00 0.00 0.01 0.00 0.00 61.00 62.47 1kk7 s PRO 64 Cb -0.15 -3.42 0.00 0.00 0.01 0.00 0.00 34.50 30.94 1kk7 s PRO 64 CO -0.08 0.03 0.00 0.41 0.01 0.00 0.00 177.00 177.36 1kk7 n GLY 65 N 2.68 -2.08 3.55 0.52 0.00 -1.26 -4.79 105.19 103.81 1kk7 n GLY 65 Ca 0.05 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 1kk7 n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1kk7 n PRO 66 N -0.08 0.57 -3.04 1.61 -0.02 -1.26 -4.88 135.00 127.90 1kk7 n PRO 66 Ca 0.00 -0.59 -0.45 0.00 -2.02 0.00 0.00 63.50 60.45 1kk7 n PRO 66 Cb 0.00 -3.31 -0.02 0.00 -0.02 0.00 0.00 33.50 30.15 1kk7 n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1kk7 s LEU 67 N 12.68 5.52 -0.28 2.45 2.96 -1.26 -3.11 118.68 137.64 1kk7 s LEU 67 Ca 0.99 -2.38 0.20 0.00 -0.22 0.00 0.00 54.13 52.72 1kk7 s LEU 67 Cb -0.25 -2.35 0.47 0.00 0.50 0.00 0.00 46.19 44.57 1kk7 s LEU 67 CO 0.18 -0.87 1.24 0.59 -1.32 0.00 0.00 176.35 176.17 1kk7 n ASN 68 N 5.66 0.61 0.00 3.68 4.13 -1.26 -3.66 115.26 124.40 1kk7 n ASN 68 Ca 0.23 -2.08 0.00 0.00 1.68 0.00 0.00 54.58 54.41 1kk7 n ASN 68 Cb 0.47 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1kk7 n ASN 68 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1kk7 n PHE 69 N -0.87 0.00 0.00 3.10 -0.00 -1.26 -4.53 117.46 113.90 1kk7 n PHE 69 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1kk7 n PHE 69 Cb 0.83 -0.33 0.00 0.00 -0.00 0.00 0.00 39.48 39.98 1kk7 n PHE 69 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1kk7 n THR 70 N -2.35 0.00 1.02 -2.13 -1.04 -1.26 -4.59 114.28 103.93 1kk7 n THR 70 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1kk7 n THR 70 Cb 0.12 -0.52 0.15 0.00 -1.82 0.00 0.00 70.33 68.26 1kk7 n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1kk7 n MET 71 N -2.38 0.11 0.06 -2.82 0.00 -1.18 -3.90 117.12 107.01 1kk7 n MET 71 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.63 1kk7 n MET 71 Cb 0.07 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.73 1kk7 n MET 71 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1kk7 h PHE 72 N 0.18 0.00 -0.24 1.12 3.57 -1.84 -3.27 116.94 116.46 1kk7 h PHE 72 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1kk7 h PHE 72 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1kk7 h PHE 72 CO 0.00 0.58 0.00 1.28 -2.23 0.00 0.00 178.31 177.94 1kk7 n LEU 73 N -2.98 1.41 0.00 0.59 7.99 -1.25 -3.26 117.00 119.49 1kk7 n LEU 73 Ca -0.07 -0.70 0.00 0.00 -0.01 0.00 0.00 56.01 55.23 1kk7 n LEU 73 Cb 0.82 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.94 1kk7 n LEU 73 CO 0.43 0.33 -0.17 -0.24 -1.51 0.00 0.00 177.39 176.23 1kk7 n SER 74 N 0.22 1.70 0.09 -1.43 2.88 -1.24 -4.29 113.62 111.55 1kk7 n SER 74 Ca 0.08 -0.32 -0.22 0.00 -1.33 0.00 0.00 58.87 57.09 1kk7 n SER 74 Cb 0.23 0.97 -0.15 0.00 -0.75 0.00 0.00 64.21 64.51 1kk7 n SER 74 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1kk7 h ILE 75 N 0.00 1.06 0.00 2.46 3.07 -1.60 -3.19 117.51 119.32 1kk7 h ILE 75 Ca 0.00 -2.62 -0.06 0.00 1.55 0.00 0.00 64.86 63.74 1kk7 h ILE 75 Cb 0.00 2.83 -0.01 0.00 -0.27 0.00 0.00 36.82 39.37 1kk7 h ILE 75 CO 0.00 0.84 -0.27 -0.26 -1.05 0.00 0.00 178.15 177.42 1kk7 h PHE 76 N 0.11 0.00 0.00 0.16 0.05 -1.83 -2.59 116.94 112.84 1kk7 h PHE 76 Ca -0.30 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.49 1kk7 h PHE 76 Cb 2.10 0.00 0.00 0.00 2.00 0.00 0.00 35.95 40.05 1kk7 h PHE 76 CO 0.10 0.27 0.00 0.43 -0.18 0.00 0.00 178.31 178.93 1kk7 n SER 77 N -3.31 0.00 0.00 2.17 7.64 -1.23 -1.70 113.62 117.18 1kk7 n SER 77 Ca 0.01 0.93 0.06 0.00 1.01 0.00 0.00 58.87 60.88 1kk7 n SER 77 Cb 0.51 -0.50 0.26 0.00 -1.01 0.00 0.00 64.21 63.48 1kk7 n SER 77 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1kk7 n ASP 78 N -1.99 0.00 0.03 6.43 -0.08 -1.21 0.14 116.55 119.87 1kk7 n ASP 78 Ca 0.00 0.34 -0.12 0.00 -1.51 0.00 0.00 54.79 53.50 1kk7 n ASP 78 Cb 0.00 -0.41 -0.14 0.00 2.34 0.00 0.00 41.12 42.91 1kk7 n ASP 78 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1kk7 h LYS 79 N 0.00 0.09 0.00 -0.67 1.79 -1.39 -3.39 116.57 113.00 1kk7 h LYS 79 Ca 0.00 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 1kk7 h LYS 79 Cb 0.16 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1kk7 h LYS 79 CO 0.00 0.86 -1.49 1.28 -1.08 0.00 0.00 179.45 179.02 1kk7 n LEU 80 N -3.27 0.00 -0.31 2.94 4.32 -0.69 -4.66 117.00 115.32 1kk7 n LEU 80 Ca -0.13 0.00 0.20 0.00 -0.02 0.00 0.00 56.01 56.05 1kk7 n LEU 80 Cb 1.02 0.05 0.37 0.00 -1.62 0.00 0.00 43.42 43.25 1kk7 n LEU 80 CO 0.47 0.05 0.83 -1.20 -1.22 0.00 0.00 177.39 176.32 1kk7 n SER 81 N -1.96 0.05 -2.74 -1.43 7.64 0.38 -1.61 113.62 113.94 1kk7 n SER 81 Ca -0.05 1.56 -0.21 0.00 1.01 0.00 0.00 58.87 61.18 1kk7 n SER 81 Cb 0.39 -0.64 -0.07 0.00 -1.01 0.00 0.00 64.21 62.87 1kk7 n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kk7 n GLY 82 N -1.39 3.20 3.43 0.23 0.00 -1.26 -4.85 105.19 104.56 1kk7 n GLY 82 Ca 0.27 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1kk7 n GLY 82 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kk7 s THR 83 N 2.17 2.08 0.08 2.61 -1.32 -0.64 -5.15 115.64 115.47 1kk7 s THR 83 Ca 0.54 -2.28 0.04 0.00 -1.21 0.00 0.00 61.69 58.78 1kk7 s THR 83 Cb 0.19 -2.27 -0.03 0.00 -1.51 0.00 0.00 72.50 68.88 1kk7 s THR 83 CO -0.03 -0.43 -0.12 -1.81 -2.21 0.00 0.00 174.62 170.02 1kk7 s ASP 84 N -3.44 1.50 1.01 8.08 1.01 -1.26 -5.14 116.67 118.42 1kk7 s ASP 84 Ca 0.28 -0.68 -0.23 0.00 0.71 0.00 0.00 52.55 52.63 1kk7 s ASP 84 Cb -0.02 -0.02 -0.16 0.00 1.01 0.00 0.00 42.92 43.74 1kk7 s ASP 84 CO 0.12 -0.15 -1.17 -0.24 0.21 0.00 0.00 175.17 173.94 1kk7 n SER 85 N 1.05 -3.90 0.10 0.27 2.88 -1.26 -4.73 113.62 108.03 1kk7 n SER 85 Ca -0.20 0.06 0.06 0.00 -1.33 0.00 0.00 58.87 57.46 1kk7 n SER 85 Cb 0.55 -0.63 -0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1kk7 n SER 85 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1kk7 h GLU 86 N -1.09 0.00 0.08 -1.46 4.81 -1.99 -2.65 114.58 112.29 1kk7 h GLU 86 Ca -0.42 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.54 1kk7 h GLU 86 Cb 1.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1kk7 h GLU 86 CO 0.23 0.19 -1.44 0.93 -0.73 0.00 0.00 179.01 178.19 1kk7 h GLU 87 N 0.00 0.17 -0.79 1.92 5.08 -1.98 -3.03 114.58 115.94 1kk7 h GLU 87 Ca -0.06 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1kk7 h GLU 87 Cb 1.27 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 1kk7 h GLU 87 CO 0.03 1.14 0.51 1.15 -1.00 0.00 0.00 179.01 180.84 1kk7 h THR 88 N -0.45 1.21 0.13 1.13 2.02 -1.90 -2.03 112.91 113.02 1kk7 h THR 88 Ca -0.33 -0.40 -0.28 0.00 0.77 0.00 0.00 66.41 66.17 1kk7 h THR 88 Cb 1.66 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1kk7 h THR 88 CO -0.01 0.20 -1.29 0.40 0.37 0.00 0.00 175.52 175.19 1kk7 h ILE 89 N 1.07 1.45 -0.59 3.11 2.04 -1.64 -1.74 117.51 121.21 1kk7 h ILE 89 Ca 0.29 -3.02 0.11 0.00 1.00 0.00 0.00 64.86 63.23 1kk7 h ILE 89 Cb -0.10 2.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 1kk7 h ILE 89 CO -0.06 0.88 0.40 -0.09 0.00 0.00 0.00 178.15 179.28 1kk7 h ARG 90 N 0.07 0.35 0.00 2.37 2.43 -1.34 -0.85 114.38 117.42 1kk7 h ARG 90 Ca -0.15 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1kk7 h ARG 90 Cb 1.98 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1kk7 h ARG 90 CO 0.20 0.23 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.83 1kk7 h ASN 91 N 0.36 0.00 -0.98 -3.80 -0.26 -1.41 -3.27 115.58 106.23 1kk7 h ASN 91 Ca 0.28 -0.82 0.31 0.00 -0.56 0.00 0.00 56.30 55.51 1kk7 h ASN 91 Cb 0.60 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.68 1kk7 h ASN 91 CO -0.07 1.00 0.18 0.00 -1.06 0.00 0.00 177.43 177.48 1kk7 n ALA 92 N -2.74 0.66 0.23 -0.83 0.00 -0.66 0.38 120.51 117.55 1kk7 n ALA 92 Ca -0.11 1.04 0.10 0.00 0.00 0.00 0.00 53.44 54.47 1kk7 n ALA 92 Cb 0.45 -0.84 0.50 0.00 0.00 0.00 0.00 19.45 19.56 1kk7 n ALA 92 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1kk7 h PHE 93 N 0.00 0.00 0.00 0.00 0.04 -1.31 -3.08 116.94 112.59 1kk7 h PHE 93 Ca 0.67 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.44 1kk7 h PHE 93 Cb 1.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.68 1kk7 h PHE 93 CO -0.35 0.21 -0.00 0.00 -0.60 0.00 0.00 178.31 177.57 1kk7 n ALA 94 N -2.23 2.29 1.01 2.45 0.00 1.21 -3.40 120.51 121.84 1kk7 n ALA 94 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1kk7 n ALA 94 Cb 0.40 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1kk7 n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1kk7 n MET 95 N -2.10 0.51 -1.47 0.00 2.81 -0.92 -0.95 117.12 115.01 1kk7 n MET 95 Ca 0.06 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1kk7 n MET 95 Cb 0.41 -1.00 0.09 0.00 -0.71 0.00 0.00 33.22 32.01 1kk7 n MET 95 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1kk7 n PHE 96 N -0.50 0.60 -3.15 2.03 3.01 -1.22 -4.92 117.46 113.32 1kk7 n PHE 96 Ca 0.00 -1.35 -0.13 0.00 1.01 0.00 0.00 57.45 56.97 1kk7 n PHE 96 Cb 0.00 -0.23 -0.05 0.00 -0.01 0.00 0.00 39.48 39.20 1kk7 n PHE 96 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1kk7 s ASP 97 N -2.94 0.06 0.00 4.37 -1.08 -0.12 -4.83 116.67 112.12 1kk7 s ASP 97 Ca 0.37 -1.95 0.29 0.00 -0.52 0.00 0.00 52.55 50.74 1kk7 s ASP 97 Cb 0.38 0.90 1.25 0.00 -1.46 0.00 0.00 42.92 43.98 1kk7 s ASP 97 CO -0.08 -0.15 1.89 -1.84 0.52 0.00 0.00 175.17 175.50 1kk7 n GLU 98 N 3.44 0.36 -0.00 4.34 -0.00 -1.26 -2.81 120.64 124.71 1kk7 n GLU 98 Ca 0.19 -0.08 0.09 0.00 -0.00 0.00 0.00 57.16 57.36 1kk7 n GLU 98 Cb 0.51 -1.50 -0.12 0.00 -0.00 0.00 0.00 31.44 30.33 1kk7 n GLU 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1kk7 n GLN 99 N -1.25 0.80 -1.60 3.44 1.13 -1.26 -5.00 117.38 113.64 1kk7 n GLN 99 Ca 0.12 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 54.99 1kk7 n GLN 99 Cb 0.29 -1.40 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 1kk7 n GLN 99 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1kk7 n GLU 100 N -1.76 -0.78 0.00 -1.09 0.28 -1.12 -4.87 120.64 111.29 1kk7 n GLU 100 Ca 0.00 0.76 0.00 0.00 -0.16 0.00 0.00 57.16 57.76 1kk7 n GLU 100 Cb 0.38 -4.76 0.00 0.00 1.43 0.00 0.00 31.44 28.49 1kk7 n GLU 100 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1kk7 n THR 101 N -3.12 0.00 -2.19 3.84 -2.24 -1.26 -4.70 114.28 104.60 1kk7 n THR 101 Ca -0.11 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1kk7 n THR 101 Cb 0.43 -0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 67.91 1kk7 n THR 101 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kk7 n LYS 102 N -0.72 -1.97 -3.65 -0.78 4.76 -1.26 -4.91 118.16 109.64 1kk7 n LYS 102 Ca 0.00 0.67 -0.10 0.00 -2.87 0.00 0.00 58.31 56.01 1kk7 n LYS 102 Cb 0.00 -5.19 -0.07 0.00 -1.84 0.00 0.00 35.03 27.92 1kk7 n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1kk7 s LYS 103 N -4.59 0.72 0.06 1.97 1.02 -1.26 -4.25 119.74 113.40 1kk7 s LYS 103 Ca 0.00 1.08 -0.06 0.00 0.02 0.00 0.00 55.97 57.01 1kk7 s LYS 103 Cb 0.00 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.49 1kk7 s LYS 103 CO 0.00 -0.13 0.30 -0.51 -0.92 0.00 0.00 175.35 174.09 1kk7 s LEU 104 N 1.10 4.34 0.99 3.17 1.43 -0.93 -4.90 118.68 123.89 1kk7 s LEU 104 Ca -0.06 0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 1kk7 s LEU 104 Cb -0.05 -2.90 0.16 0.00 0.03 0.00 0.00 46.19 43.43 1kk7 s LEU 104 CO -0.11 0.18 0.96 -3.20 0.23 0.00 0.00 176.35 174.41 1kk7 n ASN 105 N 0.73 -0.61 0.08 2.29 2.85 -1.26 -1.45 115.26 117.88 1kk7 n ASN 105 Ca -0.08 0.25 -0.04 0.00 -0.11 0.00 0.00 54.58 54.60 1kk7 n ASN 105 Cb 0.52 -1.37 -0.02 0.00 1.24 0.00 0.00 39.78 40.16 1kk7 n ASN 105 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1kk7 h ILE 106 N -2.05 0.00 -0.93 -1.44 6.09 -1.54 -3.09 117.51 114.55 1kk7 h ILE 106 Ca -0.48 -0.35 0.22 0.00 -1.37 0.00 0.00 64.86 62.88 1kk7 h ILE 106 Cb 1.29 0.00 -0.07 0.00 0.47 0.00 0.00 36.82 38.51 1kk7 h ILE 106 CO 0.42 0.00 0.62 -0.08 -3.07 0.00 0.00 178.15 176.04 1kk7 h GLU 107 N -0.60 0.35 0.52 2.19 4.57 -1.93 0.14 114.58 119.82 1kk7 h GLU 107 Ca -0.03 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1kk7 h GLU 107 Cb 0.19 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1kk7 h GLU 107 CO 0.04 0.23 -0.25 -0.92 -1.18 0.00 0.00 179.01 176.93 1kk7 h TYR 108 N 0.36 -0.65 -0.54 0.92 3.20 -1.95 -0.95 116.97 117.36 1kk7 h TYR 108 Ca 0.49 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.32 1kk7 h TYR 108 Cb 1.30 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.76 1kk7 h TYR 108 CO -0.00 -0.38 0.22 0.97 -1.64 0.00 0.00 178.16 177.33 1kk7 h ILE 109 N -0.76 1.19 0.21 1.81 6.09 -1.05 0.23 117.51 125.24 1kk7 h ILE 109 Ca -0.07 -0.59 -0.01 0.00 -1.37 0.00 0.00 64.86 62.81 1kk7 h ILE 109 Cb 0.56 0.54 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1kk7 h ILE 109 CO 0.12 0.24 -0.11 0.11 -3.07 0.00 0.00 178.15 175.43 1kk7 h LYS 110 N 0.77 -0.29 -0.74 2.19 1.57 -0.83 -0.56 116.57 118.68 1kk7 h LYS 110 Ca 0.19 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1kk7 h LYS 110 Cb 0.14 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1kk7 h LYS 110 CO -0.02 -0.19 0.36 0.22 -0.57 0.00 0.00 179.45 179.25 1kk7 h ASP 111 N -0.30 0.95 -0.29 0.86 1.82 -0.78 0.50 116.42 119.18 1kk7 h ASP 111 Ca -0.03 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1kk7 h ASP 111 Cb 0.24 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1kk7 h ASP 111 CO 0.04 0.80 0.17 0.25 -1.61 0.00 0.00 179.24 178.89 1kk7 h LEU 112 N 1.05 0.37 0.00 2.28 7.12 0.06 0.34 115.31 126.52 1kk7 h LEU 112 Ca 0.26 -0.02 -0.15 0.00 0.13 0.00 0.00 57.88 58.10 1kk7 h LEU 112 Cb 0.10 -0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.11 1kk7 h LEU 112 CO -0.03 0.30 -1.85 0.18 -0.13 0.00 0.00 178.44 176.91 1kk7 n LEU 113 N -4.46 0.33 0.14 2.25 4.77 -0.27 -3.90 117.00 115.85 1kk7 n LEU 113 Ca 0.02 0.14 0.12 0.00 -0.03 0.00 0.00 56.01 56.25 1kk7 n LEU 113 Cb 0.09 0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1kk7 n LEU 113 CO 0.35 0.16 0.28 -0.08 -1.33 0.00 0.00 177.39 176.78 1kk7 h GLU 114 N 0.00 0.00 0.00 3.23 4.57 0.69 -2.46 114.58 120.61 1kk7 h GLU 114 Ca -0.20 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1kk7 h GLU 114 Cb 1.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 1kk7 h GLU 114 CO 0.02 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.94 1kk7 n ASN 115 N -2.76 0.09 -4.44 1.04 4.13 0.11 -4.34 115.26 109.10 1kk7 n ASN 115 Ca 0.01 -0.83 -0.23 0.00 1.68 0.00 0.00 54.58 55.21 1kk7 n ASN 115 Cb 0.54 0.02 -0.10 0.00 -1.54 0.00 0.00 39.78 38.70 1kk7 n ASN 115 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1kk7 s MET 116 N -0.02 1.59 2.87 3.52 -1.94 -1.25 -4.96 119.30 119.11 1kk7 s MET 116 Ca 0.00 -1.71 0.00 0.00 -1.71 0.00 0.00 55.69 52.27 1kk7 s MET 116 Cb 0.00 -1.63 0.00 0.00 2.01 0.00 0.00 34.83 35.21 1kk7 s MET 116 CO 0.00 0.30 0.00 0.41 -0.01 0.00 0.00 175.02 175.72 1kk7 n GLY 117 N -0.50 0.96 3.55 -0.03 0.00 -1.26 -3.97 105.19 103.94 1kk7 n GLY 117 Ca -0.06 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1kk7 n GLY 117 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1kk7 s ASP 118 N -4.00 4.74 0.12 1.61 -4.77 -1.26 -4.86 116.67 108.25 1kk7 s ASP 118 Ca 0.00 0.68 -0.31 0.00 -3.30 0.00 0.00 52.55 49.62 1kk7 s ASP 118 Cb 0.00 -2.52 -0.07 0.00 -1.09 0.00 0.00 42.92 39.24 1kk7 s ASP 118 CO 0.00 -2.75 1.31 0.20 0.70 0.00 0.00 175.17 174.63 1kk7 s ASN 119 N 10.45 6.93 0.36 2.11 -0.87 -1.25 -4.93 114.94 127.73 1kk7 s ASN 119 Ca 0.85 2.24 -0.25 0.00 -1.57 0.00 0.00 52.86 54.13 1kk7 s ASN 119 Cb -0.15 -2.59 -0.10 0.00 -0.02 0.00 0.00 41.25 38.40 1kk7 s ASN 119 CO 0.22 -0.56 0.99 -0.36 -2.57 0.00 0.00 177.10 174.82 1kk7 s PHE 120 N 0.84 3.49 0.11 2.20 0.40 -0.93 -5.04 117.98 119.06 1kk7 s PHE 120 Ca 0.61 1.71 0.05 0.00 -0.60 0.00 0.00 56.93 58.69 1kk7 s PHE 120 Cb -0.34 -3.00 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 1kk7 s PHE 120 CO 0.32 -0.15 0.05 0.54 0.70 0.00 0.00 175.22 176.68 1kk7 s ASN 121 N -1.63 5.25 0.06 1.36 6.03 -1.26 -4.76 114.94 119.99 1kk7 s ASN 121 Ca 0.54 -0.14 0.03 0.00 -1.03 0.00 0.00 52.86 52.26 1kk7 s ASN 121 Cb -0.19 -1.31 0.22 0.00 -3.03 0.00 0.00 41.25 36.93 1kk7 s ASN 121 CO 0.25 0.14 0.26 2.29 -2.03 0.00 0.00 177.10 178.01 1kk7 n LYS 122 N 0.29 -0.01 0.00 3.55 2.85 -1.26 -1.00 118.16 122.58 1kk7 n LYS 122 Ca -0.09 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1kk7 n LYS 122 Cb 0.53 -0.41 0.00 0.00 -0.65 0.00 0.00 35.03 34.49 1kk7 n LYS 122 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1kk7 n ASP 123 N -3.41 0.00 -0.24 -5.58 8.00 -1.26 -0.37 116.55 113.69 1kk7 n ASP 123 Ca 0.06 0.58 0.07 0.00 0.71 0.00 0.00 54.79 56.20 1kk7 n ASP 123 Cb 0.21 -0.30 0.14 0.00 -0.02 0.00 0.00 41.12 41.15 1kk7 n ASP 123 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kk7 n GLU 124 N -1.41 -0.06 0.17 -1.24 1.02 -0.17 0.17 120.64 119.13 1kk7 n GLU 124 Ca 0.00 1.04 -0.14 0.00 -0.02 0.00 0.00 57.16 58.04 1kk7 n GLU 124 Cb 0.00 -1.60 -0.08 0.00 -0.02 0.00 0.00 31.44 29.74 1kk7 n GLU 124 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1kk7 h MET 125 N 0.00 -0.39 -0.70 3.49 2.86 -1.58 -0.58 114.93 118.04 1kk7 h MET 125 Ca 0.36 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 58.18 1kk7 h MET 125 Cb 0.64 0.09 -0.11 0.00 0.06 0.00 0.00 31.60 32.28 1kk7 h MET 125 CO -0.67 -0.14 0.10 -0.09 1.06 0.00 0.00 176.91 177.17 1kk7 h ARG 126 N -0.58 0.20 -0.34 1.72 2.43 0.47 -1.14 114.38 117.14 1kk7 h ARG 126 Ca -0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1kk7 h ARG 126 Cb 0.42 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1kk7 h ARG 126 CO 0.07 0.13 0.17 0.52 -1.51 0.00 0.00 179.97 179.35 1kk7 h MET 127 N 0.20 0.48 0.00 0.20 2.86 -0.61 -2.71 114.93 115.36 1kk7 h MET 127 Ca 0.38 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1kk7 h MET 127 Cb 0.65 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1kk7 h MET 127 CO -0.53 0.43 0.00 2.41 1.06 0.00 0.00 176.91 180.28 1kk7 n THR 128 N -4.76 0.00 0.00 2.22 -1.04 -0.24 -2.71 114.28 107.75 1kk7 n THR 128 Ca -0.01 0.97 0.00 0.00 -2.04 0.00 0.00 64.05 62.96 1kk7 n THR 128 Cb 0.10 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 1kk7 n THR 128 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1kk7 n PHE 129 N -0.47 0.00 -0.19 -1.42 3.72 -1.01 -2.65 117.46 115.45 1kk7 n PHE 129 Ca 0.00 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 1kk7 n PHE 129 Cb 0.00 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.04 1kk7 n PHE 129 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1kk7 h LYS 130 N 0.00 0.41 0.00 -1.08 6.56 -1.27 -3.17 116.57 118.02 1kk7 h LYS 130 Ca 0.00 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1kk7 h LYS 130 Cb 0.00 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1kk7 h LYS 130 CO 0.00 0.27 0.00 -1.91 -2.06 0.00 0.00 179.45 175.75 1kk7 n GLU 131 N -4.49 0.71 -0.74 3.15 2.13 -1.08 -5.10 120.64 115.21 1kk7 n GLU 131 Ca 0.16 -0.08 -0.28 0.00 0.66 0.00 0.00 57.16 57.62 1kk7 n GLU 131 Cb 0.58 -0.43 -0.03 0.00 0.27 0.00 0.00 31.44 31.83 1kk7 n GLU 131 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kk7 n ALA 132 N -0.13 -2.04 -1.63 4.31 0.00 -1.20 -4.69 120.51 115.13 1kk7 n ALA 132 Ca 0.00 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 1kk7 n ALA 132 Cb 0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 1kk7 n ALA 132 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1kk7 n PRO 133 N 0.65 1.25 -3.89 0.00 -0.02 -1.26 -4.93 135.00 126.79 1kk7 n PRO 133 Ca 0.10 -2.09 -0.22 0.00 -2.02 0.00 0.00 63.50 59.27 1kk7 n PRO 133 Cb 0.08 -3.44 -0.02 0.00 -0.02 0.00 0.00 33.50 30.10 1kk7 n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kk7 s VAL 134 N 9.94 5.25 -0.29 -1.45 1.01 -1.26 -0.49 120.40 133.11 1kk7 s VAL 134 Ca 0.67 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1kk7 s VAL 134 Cb 0.04 -3.84 0.19 0.00 0.00 0.00 0.00 36.38 32.77 1kk7 s VAL 134 CO 0.16 -0.31 0.84 -0.70 0.00 0.00 0.00 175.10 175.08 1kk7 s GLU 135 N -3.88 0.34 -1.58 2.72 2.56 -0.61 -4.94 118.70 113.31 1kk7 s GLU 135 Ca 0.35 0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.66 1kk7 s GLU 135 Cb -0.09 0.16 0.00 0.00 2.00 0.00 0.00 34.13 36.19 1kk7 s GLU 135 CO 0.30 -0.62 0.00 0.41 -0.56 0.00 0.00 175.26 174.78 1kk7 n GLY 136 N 5.26 -0.19 0.00 -1.50 0.00 -1.26 -2.79 105.19 104.71 1kk7 n GLY 136 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1kk7 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kk7 n GLY 137 N -0.99 2.55 3.64 -0.02 0.00 -1.26 -5.05 105.19 104.06 1kk7 n GLY 137 Ca -0.21 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1kk7 n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kk7 s LYS 138 N 0.00 4.14 -0.22 1.61 0.00 -1.12 -1.32 119.74 122.83 1kk7 s LYS 138 Ca 0.00 0.85 -0.16 0.00 0.00 0.00 0.00 55.97 56.66 1kk7 s LYS 138 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 37.83 34.13 1kk7 s LYS 138 CO 0.00 -0.54 0.43 0.12 0.00 0.00 0.00 175.35 175.36 1kk7 s PHE 139 N 2.84 3.34 -0.72 1.78 5.36 -0.53 -1.57 117.98 128.49 1kk7 s PHE 139 Ca 0.34 0.62 -0.27 0.00 -0.96 0.00 0.00 56.93 56.66 1kk7 s PHE 139 Cb -0.15 -2.58 0.03 0.00 -0.34 0.00 0.00 43.02 39.98 1kk7 s PHE 139 CO 0.08 -0.09 1.24 0.34 -1.46 0.00 0.00 175.22 175.33 1kk7 s ASP 140 N 1.22 6.19 0.19 6.13 -1.08 0.36 -2.20 116.67 127.48 1kk7 s ASP 140 Ca 0.20 -0.44 -0.08 0.00 -0.52 0.00 0.00 52.55 51.71 1kk7 s ASP 140 Cb -0.15 -2.55 0.10 0.00 -1.46 0.00 0.00 42.92 38.87 1kk7 s ASP 140 CO 0.09 -1.76 1.65 0.10 0.52 0.00 0.00 175.17 175.77 1kk7 h TYR 141 N 9.93 1.13 -0.55 -5.34 -0.00 -1.87 -2.67 116.97 117.60 1kk7 h TYR 141 Ca -0.28 -0.19 0.10 0.00 -0.00 0.00 0.00 58.73 58.36 1kk7 h TYR 141 Cb 1.05 -0.30 -0.08 0.00 -0.00 0.00 0.00 36.73 37.41 1kk7 h TYR 141 CO 1.10 1.00 0.10 0.28 -0.00 0.00 0.00 178.16 180.65 1kk7 h VAL 142 N 0.95 0.66 0.16 -0.90 2.07 -1.90 -0.43 116.25 116.86 1kk7 h VAL 142 Ca 0.17 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1kk7 h VAL 142 Cb 0.56 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1kk7 h VAL 142 CO 0.03 0.04 -0.08 0.11 0.02 0.00 0.00 177.57 177.70 1kk7 h LYS 143 N 0.23 -0.21 -1.10 1.57 6.56 -1.92 -3.09 116.57 118.62 1kk7 h LYS 143 Ca 0.28 0.01 0.41 0.00 -1.06 0.00 0.00 60.65 60.30 1kk7 h LYS 143 Cb 0.41 0.05 -0.16 0.00 -0.57 0.00 0.00 32.23 31.95 1kk7 h LYS 143 CO -0.38 0.22 0.64 0.35 -2.06 0.00 0.00 179.45 178.22 1kk7 h PHE 144 N -0.87 0.76 0.90 -1.35 3.04 -1.32 0.29 116.94 118.40 1kk7 h PHE 144 Ca -0.02 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 1kk7 h PHE 144 Cb 0.52 -0.18 0.01 0.00 2.56 0.00 0.00 35.95 38.86 1kk7 h PHE 144 CO 0.08 -0.35 -0.43 1.15 -2.02 0.00 0.00 178.31 176.74 1kk7 h THR 145 N 0.08 0.03 -0.96 4.41 2.02 -1.02 -2.01 112.91 115.45 1kk7 h THR 145 Ca 0.83 -0.09 0.29 0.00 0.77 0.00 0.00 66.41 68.20 1kk7 h THR 145 Cb 2.26 0.03 -0.14 0.00 -1.74 0.00 0.00 68.15 68.55 1kk7 h THR 145 CO -0.65 0.00 0.46 0.00 0.37 0.00 0.00 175.52 175.71 1kk7 h ALA 146 N -1.28 1.72 -3.00 6.16 0.00 -0.41 -2.37 119.26 120.07 1kk7 h ALA 146 Ca -0.12 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1kk7 h ALA 146 Cb 0.93 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1kk7 h ALA 146 CO 0.20 -0.50 0.00 -0.12 0.00 0.00 0.00 179.25 178.83 1kk7 n MET 147 N -5.09 0.00 -0.25 0.00 0.00 -0.37 -0.87 117.12 110.55 1kk7 n MET 147 Ca 0.28 0.13 0.22 0.00 0.00 0.00 0.00 57.70 58.33 1kk7 n MET 147 Cb 0.86 -0.85 0.39 0.00 0.00 0.00 0.00 33.22 33.61 1kk7 n MET 147 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1kk7 n ILE 148 N -0.48 -0.18 0.16 1.12 5.41 -0.80 -0.42 119.36 124.16 1kk7 n ILE 148 Ca 0.00 1.12 -0.07 0.00 1.00 0.00 0.00 62.75 64.80 1kk7 n ILE 148 Cb 0.00 -1.83 -0.03 0.00 -0.71 0.00 0.00 39.64 37.07 1kk7 n ILE 148 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1kk7 h LYS 149 N 0.00 -0.46 0.00 0.38 1.79 -1.18 -3.49 116.57 113.61 1kk7 h LYS 149 Ca 0.52 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 1kk7 h LYS 149 Cb 1.58 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 1kk7 h LYS 149 CO -0.34 -0.31 0.00 0.41 -1.08 0.00 0.00 179.45 178.14 1kk7 n GLY 150 N 0.51 1.31 0.23 3.86 0.00 0.43 -5.00 105.19 106.53 1kk7 n GLY 150 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1kk7 n GLY 150 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1kk7 h SER 151 N 0.44 -0.32 -1.09 1.61 0.02 -1.63 -3.43 113.55 109.16 1kk7 h SER 151 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1kk7 h SER 151 Cb 0.00 0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1kk7 h SER 151 CO 0.00 -0.12 0.00 0.61 -1.14 0.00 0.00 176.83 176.18 1kk7 n GLY 152 N -1.37 -3.15 0.00 -3.77 0.00 -0.26 -4.88 105.19 91.76 1kk7 n GLY 152 Ca 0.08 -1.32 0.09 0.00 0.00 0.00 0.00 46.02 44.87 1kk7 n GLY 152 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kk7 n GLU 153 N -1.60 0.90 -0.18 1.61 4.71 -1.26 -4.79 120.64 120.03 1kk7 n GLU 153 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1kk7 n GLU 153 Cb 0.00 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 1kk7 n GLU 153 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61