#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kku n SER 2 N 0.00 0.00 0.28 6.12 7.64 -1.26 -1.85 113.62 124.55 2kku n SER 2 Ca 0.00 0.31 0.12 0.00 1.01 0.00 0.00 58.87 60.31 2kku n SER 2 Cb 0.00 -0.35 0.79 0.00 -1.01 0.00 0.00 64.21 63.64 2kku n SER 2 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2kku h LYS 3 N 0.00 0.00 0.00 1.43 2.10 -2.00 -3.49 116.57 114.61 2kku h LYS 3 Ca 0.00 0.00 0.24 0.00 -2.00 0.00 0.00 60.65 58.89 2kku h LYS 3 Cb 0.05 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.32 2kku h LYS 3 CO 0.00 0.00 -0.32 -0.89 -2.00 0.00 0.00 179.45 176.24 2kku n ILE 4 N -4.16 0.00 0.00 0.07 2.08 -0.77 -4.93 119.36 111.65 2kku n ILE 4 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2kku n ILE 4 Cb 0.09 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 38.68 2kku n ILE 4 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 2kku n VAL 5 N -3.10 0.00 -2.76 1.39 0.24 -0.88 -3.01 118.33 110.21 2kku n VAL 5 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2kku n VAL 5 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2kku n VAL 5 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kku n GLY 6 N -0.03 1.80 2.95 7.63 0.00 -0.43 -1.46 105.19 115.65 2kku n GLY 6 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 2kku n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku s VAL 7 N -2.58 0.31 -0.06 1.61 0.11 -0.68 -1.94 120.40 117.18 2kku s VAL 7 Ca 0.00 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 58.80 2kku s VAL 7 Cb 0.00 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2kku s VAL 7 CO 0.00 0.02 -0.14 0.28 -3.33 0.00 0.00 175.10 171.93 2kku s THR 8 N -0.27 3.10 0.02 5.04 -1.32 -0.27 -1.89 115.64 120.04 2kku s THR 8 Ca -0.00 -0.71 0.04 0.00 -1.21 0.00 0.00 61.69 59.81 2kku s THR 8 Cb -0.03 -2.22 -0.02 0.00 -1.51 0.00 0.00 72.50 68.73 2kku s THR 8 CO -0.00 0.59 -0.12 -0.31 -2.21 0.00 0.00 174.62 172.57 2kku s TYR 9 N -0.66 1.04 -0.59 9.09 1.51 -1.05 -1.60 117.35 125.08 2kku s TYR 9 Ca 0.10 -0.29 0.25 0.00 -1.01 0.00 0.00 57.07 56.11 2kku s TYR 9 Cb -0.11 -0.64 0.92 0.00 -0.11 0.00 0.00 41.96 42.02 2kku s TYR 9 CO 0.01 0.00 1.74 -0.35 -1.11 0.00 0.00 175.55 175.84 2kku n PRO 10 N 2.25 0.22 -2.87 -1.71 -0.04 -1.26 -1.18 135.00 130.40 2kku n PRO 10 Ca -0.17 0.33 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2kku n PRO 10 Cb 0.55 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 2kku n PRO 10 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2kku n ILE 11 N -2.23 -8.89 0.90 0.52 2.08 -1.26 -2.27 119.36 108.22 2kku n ILE 11 Ca 0.04 1.41 0.00 0.00 0.56 0.00 0.00 62.75 64.76 2kku n ILE 11 Cb 0.31 -5.70 0.00 0.00 -0.75 0.00 0.00 39.64 33.50 2kku n ILE 11 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kku n PRO 12 N 0.87 0.90 -4.23 0.38 -0.04 -1.26 -4.65 135.00 126.98 2kku n PRO 12 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2kku n PRO 12 Cb 0.17 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 2kku n PRO 12 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kku s LYS 13 N -0.52 0.99 0.15 0.54 -0.14 -1.26 -5.04 119.74 114.46 2kku s LYS 13 Ca 0.00 -1.40 0.24 0.00 -1.36 0.00 0.00 55.97 53.45 2kku s LYS 13 Cb 0.00 -0.53 0.91 0.00 -1.68 0.00 0.00 37.83 36.53 2kku s LYS 13 CO 0.00 0.06 1.73 -2.13 -0.76 0.00 0.00 175.35 174.25 2kku n ARG 14 N -0.09 0.15 0.00 1.68 0.63 -1.26 -3.94 116.66 113.83 2kku n ARG 14 Ca -0.11 0.25 0.03 0.00 -0.92 0.00 0.00 57.85 57.10 2kku n ARG 14 Cb 0.60 -1.72 0.19 0.00 0.45 0.00 0.00 32.46 31.98 2kku n ARG 14 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2kku n PHE 15 N -1.99 0.00 -0.10 -0.14 3.72 -1.26 -2.26 117.46 115.44 2kku n PHE 15 Ca 0.04 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.55 2kku n PHE 15 Cb 0.30 0.00 0.47 0.00 -0.94 0.00 0.00 39.48 39.31 2kku n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kku h MET 16 N 0.00 0.47 -0.93 -1.08 -0.00 -1.92 -2.65 114.93 108.81 2kku h MET 16 Ca 0.00 -0.03 0.21 0.00 -0.00 0.00 0.00 59.70 59.88 2kku h MET 16 Cb 0.00 -0.11 -0.12 0.00 -0.00 0.00 0.00 31.60 31.38 2kku h MET 16 CO 0.00 0.31 0.49 0.22 -0.00 0.00 0.00 176.91 177.93 2kku h ASP 17 N 0.48 0.54 -0.40 -0.10 3.58 -1.80 -2.54 116.42 116.17 2kku h ASP 17 Ca 0.28 0.13 0.07 0.00 0.42 0.00 0.00 57.03 57.92 2kku h ASP 17 Cb 0.45 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.50 2kku h ASP 17 CO -0.08 0.11 0.06 0.03 -2.88 0.00 0.00 179.24 176.48 2kku h ARG 18 N 0.55 0.17 0.00 0.28 2.47 -1.73 0.15 114.38 116.27 2kku h ARG 18 Ca 0.57 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 59.22 2kku h ARG 18 Cb 1.01 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 2kku h ARG 18 CO -0.46 0.12 -0.30 0.74 0.56 0.00 0.00 179.97 180.62 2kku h PHE 19 N 0.18 0.00 0.00 3.04 -1.00 -1.60 -2.63 116.94 114.93 2kku h PHE 19 Ca 0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.98 2kku h PHE 19 Cb 0.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 2kku h PHE 19 CO -0.22 0.30 -1.07 1.19 -1.61 0.00 0.00 178.31 176.90 2kku n PHE 20 N -4.02 0.81 0.04 -0.55 3.72 -0.80 -2.36 117.46 114.31 2kku n PHE 20 Ca -0.02 0.24 -0.04 0.00 -0.05 0.00 0.00 57.45 57.58 2kku n PHE 20 Cb 0.36 -0.87 -0.02 0.00 -0.94 0.00 0.00 39.48 38.01 2kku n PHE 20 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2kku h LYS 21 N 0.00 -0.21 0.00 -1.08 3.11 -0.37 -3.37 116.57 114.65 2kku h LYS 21 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2kku h LYS 21 Cb 0.97 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.24 2kku h LYS 21 CO 0.00 -0.11 -0.65 0.36 -2.81 0.00 0.00 179.45 176.24 2kku n LYS 22 N -4.92 0.01 -0.92 1.90 2.85 -1.07 -4.96 118.16 111.06 2kku n LYS 22 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2kku n LYS 22 Cb 0.10 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 2kku n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kku n GLY 23 N 1.49 0.65 3.15 2.58 0.00 -0.99 -4.90 105.19 107.17 2kku n GLY 23 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 2kku n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kku s LYS 24 N -0.31 0.33 0.03 1.61 -2.85 -1.24 -1.77 119.74 115.55 2kku s LYS 24 Ca 0.00 0.34 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 2kku s LYS 24 Cb 0.00 0.16 -0.00 0.00 -2.06 0.00 0.00 37.83 35.92 2kku s LYS 24 CO 0.00 -0.61 0.01 -3.47 0.10 0.00 0.00 175.35 171.38 2kku n ASP 25 N 5.26 1.13 -3.81 0.03 2.03 -0.68 -4.92 116.55 115.59 2kku n ASP 25 Ca 0.07 -1.17 -0.25 0.00 0.52 0.00 0.00 54.79 53.96 2kku n ASP 25 Cb 0.56 0.07 -0.17 0.00 -0.72 0.00 0.00 41.12 40.86 2kku n ASP 25 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kku s VAL 26 N -1.58 0.64 -0.49 5.18 1.01 0.30 -0.07 120.40 125.39 2kku s VAL 26 Ca 0.01 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 2kku s VAL 26 Cb 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.58 2kku s VAL 26 CO 0.01 0.18 0.75 0.12 0.00 0.00 0.00 175.10 176.15 2kku s PHE 27 N 1.85 2.97 0.15 5.22 5.36 0.01 -2.04 117.98 131.50 2kku s PHE 27 Ca 0.03 -0.17 -0.19 0.00 -0.96 0.00 0.00 56.93 55.65 2kku s PHE 27 Cb -0.14 -3.67 -0.07 0.00 -0.34 0.00 0.00 43.02 38.80 2kku s PHE 27 CO -0.07 -1.08 0.64 0.14 -1.46 0.00 0.00 175.22 173.40 2kku s VAL 28 N 3.16 4.67 -0.05 3.12 -7.23 -1.26 -1.19 120.40 121.61 2kku s VAL 28 Ca 0.24 1.20 0.01 0.00 -1.81 0.00 0.00 61.98 61.61 2kku s VAL 28 Cb -0.15 -3.87 0.02 0.00 0.56 0.00 0.00 36.38 32.94 2kku s VAL 28 CO 0.17 0.35 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.53 2kku s LYS 29 N -1.64 0.72 -1.23 4.82 2.47 -0.02 -4.98 119.74 119.87 2kku s LYS 29 Ca 0.37 -0.04 -0.08 0.00 -1.56 0.00 0.00 55.97 54.66 2kku s LYS 29 Cb -0.18 -0.81 -0.08 0.00 -1.46 0.00 0.00 37.83 35.30 2kku s LYS 29 CO 0.21 -0.13 2.63 -0.35 0.16 0.00 0.00 175.35 177.87 2kku n PRO 30 N 4.24 2.92 -3.13 4.03 -0.04 -1.26 -0.86 135.00 140.90 2kku n PRO 30 Ca -0.22 -1.81 -0.01 0.00 -0.04 0.00 0.00 63.50 61.42 2kku n PRO 30 Cb 0.51 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2kku n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kku n ALA 31 N 3.76 -1.98 0.00 0.55 0.00 -0.94 -4.85 120.51 117.04 2kku n ALA 31 Ca 0.62 0.01 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2kku n ALA 31 Cb 0.23 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2kku n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kku n THR 32 N 1.24 0.00 -2.80 0.00 -1.04 -1.26 -5.04 114.28 105.38 2kku n THR 32 Ca -0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 2kku n THR 32 Cb 0.49 -0.56 -0.07 0.00 -1.82 0.00 0.00 70.33 68.37 2kku n THR 32 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2kku s VAL 33 N -1.60 4.32 0.00 12.58 -7.23 -1.26 -5.10 120.40 122.10 2kku s VAL 33 Ca 0.00 1.57 0.00 0.00 -1.81 0.00 0.00 61.98 61.74 2kku s VAL 33 Cb 0.00 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.24 2kku s VAL 33 CO 0.00 -0.19 0.00 0.79 -0.31 0.00 0.00 175.10 175.39 2kku n TRP 34 N -0.33 -1.49 0.90 2.82 7.02 -1.26 -4.96 117.44 120.14 2kku n TRP 34 Ca 0.06 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.62 2kku n TRP 34 Cb 0.53 0.00 0.44 0.00 -2.42 0.00 0.00 31.31 29.86 2kku n TRP 34 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2kku n LYS 35 N -0.41 0.39 0.16 -0.99 5.02 -1.26 -3.00 118.16 118.07 2kku n LYS 35 Ca 0.00 0.05 0.04 0.00 -2.02 0.00 0.00 58.31 56.38 2kku n LYS 35 Cb 0.00 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 33.96 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2kku h GLU 36 N 0.00 0.16 -6.26 1.97 3.07 -2.02 -3.43 114.58 108.07 2kku h GLU 36 Ca 0.00 -0.03 -0.55 0.00 -0.50 0.00 0.00 59.36 58.28 2kku h GLU 36 Cb 0.06 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 2kku h GLU 36 CO 0.00 0.28 1.19 -0.51 -1.40 0.00 0.00 179.01 178.57 2kku s LEU 37 N -8.81 4.13 0.00 1.33 2.01 -1.16 -5.00 118.68 111.19 2kku s LEU 37 Ca -0.05 2.15 -0.06 0.00 0.01 0.00 0.00 54.13 56.18 2kku s LEU 37 Cb 0.16 -3.53 -0.00 0.00 0.01 0.00 0.00 46.19 42.83 2kku s LEU 37 CO 0.71 -1.18 0.12 -1.59 1.01 0.00 0.00 176.35 175.42 2kku s LYS 38 N 4.61 0.46 -0.53 1.70 0.00 -1.26 -5.11 119.74 119.61 2kku s LYS 38 Ca 0.80 -0.42 -0.27 0.00 0.00 0.00 0.00 55.97 56.09 2kku s LYS 38 Cb -0.34 0.19 -0.03 0.00 0.00 0.00 0.00 37.83 37.65 2kku s LYS 38 CO 0.33 -0.11 1.97 -1.25 0.00 0.00 0.00 175.35 176.30 2kku s PRO 39 N -1.38 2.64 0.00 1.78 0.04 -1.26 -3.06 135.00 133.77 2kku s PRO 39 Ca -0.15 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2kku s PRO 39 Cb -0.08 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2kku s PRO 39 CO 0.01 -2.69 0.00 0.41 0.04 0.00 0.00 177.00 174.77 2kku n GLY 40 N 5.72 -0.71 0.00 0.56 0.00 0.53 -4.87 105.19 106.41 2kku n GLY 40 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2kku n GLY 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kku n MET 41 N 0.00 0.52 -4.16 1.61 2.81 -1.17 -4.86 117.12 111.87 2kku n MET 41 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 2kku n MET 41 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.46 2kku n MET 41 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kku s LYS 42 N -2.41 2.75 -0.24 0.03 1.02 -0.53 -0.63 119.74 119.72 2kku s LYS 42 Ca 0.00 -1.16 -0.03 0.00 0.02 0.00 0.00 55.97 54.81 2kku s LYS 42 Cb 0.00 -2.45 0.08 0.00 -0.52 0.00 0.00 37.83 34.94 2kku s LYS 42 CO 0.00 0.39 0.07 0.12 -0.92 0.00 0.00 175.35 175.01 2kku s PHE 43 N -2.19 1.07 -0.24 3.18 2.19 -0.58 -1.69 117.98 119.72 2kku s PHE 43 Ca 0.33 -1.10 -0.19 0.00 0.33 0.00 0.00 56.93 56.29 2kku s PHE 43 Cb -0.07 -1.20 -0.02 0.00 -1.31 0.00 0.00 43.02 40.42 2kku s PHE 43 CO 0.24 -0.73 0.58 0.08 1.83 0.00 0.00 175.22 177.22 2kku s VAL 44 N 1.84 5.03 -0.59 3.12 1.01 -0.79 -0.43 120.40 129.59 2kku s VAL 44 Ca 0.04 1.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.79 2kku s VAL 44 Cb -0.17 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.36 2kku s VAL 44 CO -0.18 0.08 1.09 -0.36 0.00 0.00 0.00 175.10 175.73 2kku s PHE 45 N 2.23 2.66 -0.08 5.22 0.08 0.26 -2.54 117.98 125.79 2kku s PHE 45 Ca 0.25 0.15 -0.30 0.00 0.12 0.00 0.00 56.93 57.15 2kku s PHE 45 Cb -0.16 -4.34 -0.02 0.00 -0.57 0.00 0.00 43.02 37.94 2kku s PHE 45 CO 0.09 -1.54 1.01 -0.47 -0.10 0.00 0.00 175.22 174.22 2kku s TYR 46 N 4.58 3.52 -0.29 0.36 6.14 -0.33 -0.95 117.35 130.39 2kku s TYR 46 Ca 0.36 1.59 -0.29 0.00 0.64 0.00 0.00 57.07 59.37 2kku s TYR 46 Cb -0.10 -3.19 0.00 0.00 0.42 0.00 0.00 41.96 39.09 2kku s TYR 46 CO 0.21 -0.25 1.27 -1.14 0.64 0.00 0.00 175.55 176.28 2kku s GLN 47 N 1.83 3.97 -0.86 4.97 2.00 0.15 -4.02 119.66 127.71 2kku s GLN 47 Ca 0.49 1.27 -0.22 0.00 -2.00 0.00 0.00 55.36 54.91 2kku s GLN 47 Cb -0.19 -3.85 -0.19 0.00 0.80 0.00 0.00 33.01 29.58 2kku s GLN 47 CO 0.20 -1.04 2.05 -1.13 -0.50 0.00 0.00 175.29 174.87 2kku n SER 48 N 7.40 0.83 0.00 6.67 3.41 -0.96 -4.51 113.62 126.46 2kku n SER 48 Ca 0.14 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 2kku n SER 48 Cb 0.46 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 2kku n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kku n HIS 49 N 16.73 0.00 -1.44 7.33 1.44 -1.26 -5.12 115.22 132.90 2kku n HIS 49 Ca 0.39 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.83 2kku n HIS 49 Cb 0.44 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.75 2kku n HIS 49 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2kku n GLU 50 N -0.29 -1.98 0.00 -1.40 0.28 -1.26 -4.13 120.64 111.86 2kku n GLU 50 Ca 0.00 -1.72 0.00 0.00 -0.16 0.00 0.00 57.16 55.28 2kku n GLU 50 Cb 0.00 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 31.53 2kku n GLU 50 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kku n ASP 51 N -4.19 0.00 -0.20 -1.84 2.03 -1.26 -3.74 116.55 107.35 2kku n ASP 51 Ca 0.14 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.60 2kku n ASP 51 Cb 0.52 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.39 2kku n ASP 51 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2kku h THR 52 N 0.00 0.80 0.00 5.18 2.02 -1.89 -3.39 112.91 115.63 2kku h THR 52 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2kku h THR 52 Cb 0.00 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2kku h THR 52 CO 0.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.59 2kku n GLY 53 N -1.49 1.10 3.60 2.16 0.00 -1.25 -3.71 105.19 105.60 2kku n GLY 53 Ca 0.16 0.37 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 2kku n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kku s PHE 54 N 0.00 3.24 0.02 1.61 0.08 -0.77 0.32 117.98 122.47 2kku s PHE 54 Ca 0.00 0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.10 2kku s PHE 54 Cb 0.00 -2.24 -0.26 0.00 -0.57 0.00 0.00 43.02 39.96 2kku s PHE 54 CO 0.00 -0.04 0.90 -0.24 -0.10 0.00 0.00 175.22 175.74 2kku h VAL 55 N 5.15 1.20 -1.43 -0.44 3.04 -1.32 -3.33 116.25 119.12 2kku h VAL 55 Ca -0.37 -2.89 0.00 0.00 -1.01 0.00 0.00 66.70 62.42 2kku h VAL 55 Cb 1.17 2.72 0.00 0.00 -2.01 0.00 0.00 31.29 33.17 2kku h VAL 55 CO 0.63 0.79 0.00 0.61 -1.01 0.00 0.00 177.57 178.60 2kku n GLY 56 N 1.59 1.40 3.49 3.17 0.00 -0.91 -1.82 105.19 112.11 2kku n GLY 56 Ca -0.14 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 2kku n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kku s GLU 57 N -1.57 1.97 0.07 1.61 -1.05 -0.06 -0.58 118.70 119.08 2kku s GLU 57 Ca 0.00 -1.81 -0.04 0.00 -0.15 0.00 0.00 54.97 52.97 2kku s GLU 57 Cb 0.00 0.44 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 2kku s GLU 57 CO 0.00 -0.82 0.21 0.00 0.95 0.00 0.00 175.26 175.60 2kku n ALA 58 N -0.59 -0.51 -4.03 -0.84 0.00 0.42 -0.25 120.51 114.72 2kku n ALA 58 Ca 0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 52.89 2kku n ALA 58 Cb 0.61 0.18 -0.16 0.00 0.00 0.00 0.00 19.45 20.08 2kku n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kku s ARG 59 N -2.02 2.33 0.12 0.00 1.81 -0.21 -1.53 118.95 119.45 2kku s ARG 59 Ca 0.04 -0.64 -0.31 0.00 -1.72 0.00 0.00 55.73 53.11 2kku s ARG 59 Cb -0.01 -2.21 -0.07 0.00 -0.45 0.00 0.00 34.95 32.20 2kku s ARG 59 CO 0.02 -0.27 1.27 0.42 -0.68 0.00 0.00 175.30 176.06 2kku s ILE 60 N 1.45 3.61 0.00 1.52 1.01 0.20 -1.67 121.20 127.32 2kku s ILE 60 Ca 0.04 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.91 2kku s ILE 60 Cb -0.13 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2kku s ILE 60 CO -0.11 0.13 0.00 0.29 0.00 0.00 0.00 174.94 175.25 2kku n LYS 61 N 3.43 0.33 -1.47 2.79 4.76 0.15 -0.35 118.16 127.80 2kku n LYS 61 Ca 0.08 0.00 -0.61 0.00 -2.87 0.00 0.00 58.31 54.91 2kku n LYS 61 Cb 0.44 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.53 2kku n LYS 61 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2kku n ARG 62 N 0.00 0.00 -3.25 1.97 1.85 -1.26 -2.66 116.66 113.31 2kku n ARG 62 Ca 0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.41 2kku n ARG 62 Cb 0.00 -1.42 -0.07 0.00 -1.05 0.00 0.00 32.46 29.92 2kku n ARG 62 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kku s VAL 63 N 3.98 5.01 -0.48 8.89 -7.23 -1.25 -1.84 120.40 127.47 2kku s VAL 63 Ca 1.05 -0.60 -0.22 0.00 -1.81 0.00 0.00 61.98 60.40 2kku s VAL 63 Cb -1.42 -4.20 0.04 0.00 0.56 0.00 0.00 36.38 31.35 2kku s VAL 63 CO 0.72 -0.67 0.76 -0.69 -0.31 0.00 0.00 175.10 174.90 2kku s VAL 64 N 2.28 4.68 -0.25 1.32 1.01 -0.45 -4.85 120.40 124.13 2kku s VAL 64 Ca 0.12 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 2kku s VAL 64 Cb -0.20 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 2kku s VAL 64 CO 0.11 -0.81 0.64 -0.76 0.00 0.00 0.00 175.10 174.28 2kku s LEU 65 N 3.20 4.07 -0.16 3.92 1.43 -1.26 -1.06 118.68 128.82 2kku s LEU 65 Ca 0.25 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 2kku s LEU 65 Cb -0.14 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.25 2kku s LEU 65 CO 0.19 -0.37 0.42 -0.55 0.23 0.00 0.00 176.35 176.26 2kku s SER 66 N 1.44 -0.47 0.01 2.29 0.15 -0.39 -5.02 113.70 111.71 2kku s SER 66 Ca 0.27 0.86 0.16 0.00 0.70 0.00 0.00 55.95 57.95 2kku s SER 66 Cb -0.15 0.82 0.69 0.00 -1.71 0.00 0.00 66.02 65.67 2kku s SER 66 CO 0.09 -0.17 1.52 -0.62 1.20 0.00 0.00 173.24 175.26 2kku n GLU 67 N 3.46 0.01 -4.02 5.44 1.02 -1.26 -1.03 120.64 124.26 2kku n GLU 67 Ca -0.18 0.23 -0.35 0.00 -0.02 0.00 0.00 57.16 56.85 2kku n GLU 67 Cb 0.56 -1.52 -0.13 0.00 -0.02 0.00 0.00 31.44 30.33 2kku n GLU 67 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2kku s ASN 68 N -3.06 4.58 0.56 1.62 0.01 -1.26 -4.39 114.94 112.99 2kku s ASN 68 Ca 0.08 -0.29 0.33 0.00 -0.71 0.00 0.00 52.86 52.26 2kku s ASN 68 Cb 0.10 -1.78 1.63 0.00 0.41 0.00 0.00 41.25 41.61 2kku s ASN 68 CO 0.30 0.03 2.10 1.55 -1.51 0.00 0.00 177.10 179.57 2kku h PRO 69 N 7.78 0.00 0.00 -0.60 0.13 -1.91 -3.24 132.00 134.16 2kku h PRO 69 Ca -0.38 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 2kku h PRO 69 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kku h PRO 69 CO 0.60 0.07 -0.29 0.52 -0.23 0.00 0.00 178.00 178.66 2kku h MET 70 N 0.00 0.00 -0.85 0.86 2.86 -1.95 -2.33 114.93 113.52 2kku h MET 70 Ca -0.00 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 2kku h MET 70 Cb 0.33 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.93 2kku h MET 70 CO 0.01 0.29 0.56 1.96 1.06 0.00 0.00 176.91 180.78 2kku h GLN 71 N 0.00 0.50 0.04 1.72 1.08 -1.98 -2.04 115.11 114.43 2kku h GLN 71 Ca -0.00 -0.03 -0.23 0.00 -1.45 0.00 0.00 58.65 56.94 2kku h GLN 71 Cb 0.74 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2kku h GLN 71 CO 0.04 0.33 -1.00 0.74 -0.95 0.00 0.00 178.83 177.99 2kku h PHE 72 N 0.52 0.40 0.00 2.96 0.04 -1.66 -2.17 116.94 117.02 2kku h PHE 72 Ca 0.43 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2kku h PHE 72 Cb 0.89 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.00 2kku h PHE 72 CO -0.00 1.10 -0.12 0.74 -0.60 0.00 0.00 178.31 179.42 2kku h PHE 73 N 0.12 0.00 0.03 -0.55 0.04 -1.48 -0.42 116.94 114.67 2kku h PHE 73 Ca -0.07 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.35 2kku h PHE 73 Cb 1.67 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.77 2kku h PHE 73 CO 0.04 0.00 -2.06 -0.85 -0.60 0.00 0.00 178.31 174.85 2kku n GLU 74 N -2.52 0.68 -0.05 1.51 0.28 -0.88 -3.32 120.64 116.34 2kku n GLU 74 Ca 0.05 0.19 -0.11 0.00 -0.16 0.00 0.00 57.16 57.12 2kku n GLU 74 Cb 0.47 -1.67 -0.10 0.00 1.43 0.00 0.00 31.44 31.57 2kku n GLU 74 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2kku h THR 75 N 0.02 1.37 0.00 3.84 2.02 -1.38 -3.42 112.91 115.35 2kku h THR 75 Ca -0.43 -1.87 -0.28 0.00 0.77 0.00 0.00 66.41 64.60 2kku h THR 75 Cb 2.06 2.51 -0.04 0.00 -1.74 0.00 0.00 68.15 70.95 2kku h THR 75 CO 0.04 0.44 -1.93 0.49 0.37 0.00 0.00 175.52 174.93 2kku n PHE 76 N -4.70 0.00 0.00 3.16 3.72 -0.23 -5.01 117.46 114.40 2kku n PHE 76 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2kku n PHE 76 Cb 0.36 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 2kku n PHE 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kku n GLY 77 N 1.35 0.93 0.27 1.37 0.00 -0.80 -2.99 105.19 105.31 2kku n GLY 77 Ca -0.38 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2kku n GLY 77 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kku h ASP 78 N 0.00 0.71 0.81 1.61 3.58 -1.91 -2.87 116.42 118.35 2kku h ASP 78 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kku h ASP 78 Cb 0.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2kku h ASP 78 CO 0.00 0.50 0.00 0.03 -2.88 0.00 0.00 179.24 176.89 2kku h ARG 79 N 0.84 0.00 -6.46 0.28 2.47 -1.91 -3.42 114.38 106.19 2kku h ARG 79 Ca 0.27 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.46 2kku h ARG 79 Cb -0.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 2kku h ARG 79 CO -0.10 0.00 0.36 0.08 0.56 0.00 0.00 179.97 180.87 2kku s VAL 80 N -3.64 4.73 0.36 2.04 1.01 -1.08 0.11 120.40 123.92 2kku s VAL 80 Ca 0.01 2.04 0.11 0.00 0.00 0.00 0.00 61.98 64.14 2kku s VAL 80 Cb 0.09 -4.31 0.34 0.00 0.00 0.00 0.00 36.38 32.50 2kku s VAL 80 CO 0.48 0.23 1.82 2.19 0.00 0.00 0.00 175.10 179.82 2kku h PHE 81 N 6.30 0.83 -2.20 5.22 -5.15 -1.67 -3.39 116.94 116.87 2kku h PHE 81 Ca -0.42 0.03 -0.55 0.00 -0.20 0.00 0.00 57.97 56.83 2kku h PHE 81 Cb 1.22 -0.25 -0.09 0.00 0.22 0.00 0.00 35.95 37.05 2kku h PHE 81 CO 0.67 0.21 -0.62 -0.48 -2.00 0.00 0.00 178.31 176.09 2kku s LEU 82 N -9.87 3.30 0.54 2.10 2.34 -1.26 -4.83 118.68 111.00 2kku s LEU 82 Ca -0.10 -0.58 0.06 0.00 0.06 0.00 0.00 54.13 53.57 2kku s LEU 82 Cb 0.24 -1.83 0.06 0.00 -0.56 0.00 0.00 46.19 44.10 2kku s LEU 82 CO 0.79 -0.01 0.75 0.28 -1.06 0.00 0.00 176.35 177.10 2kku s THR 83 N -2.29 2.54 0.52 5.48 -1.32 -1.26 -4.93 115.64 114.38 2kku s THR 83 Ca 0.32 -0.86 0.23 0.00 -1.21 0.00 0.00 61.69 60.16 2kku s THR 83 Cb -0.07 -2.68 0.29 0.00 -1.51 0.00 0.00 72.50 68.54 2kku s THR 83 CO 0.21 0.00 2.16 0.50 -2.21 0.00 0.00 174.62 175.28 2kku h LYS 84 N 0.20 0.00 0.24 7.08 3.64 -1.91 -0.32 116.57 125.50 2kku h LYS 84 Ca -0.37 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 2kku h LYS 84 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2kku h LYS 84 CO 0.45 0.05 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.12 2kku h ASP 85 N 0.00 -0.27 0.08 4.20 5.19 -2.00 -2.26 116.42 121.36 2kku h ASP 85 Ca -0.00 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.23 2kku h ASP 85 Cb 0.10 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 2kku h ASP 85 CO 0.01 0.01 -0.08 -0.33 -3.12 0.00 0.00 179.24 175.73 2kku h GLU 86 N -0.57 0.00 0.72 3.56 4.39 -1.64 -2.70 114.58 118.33 2kku h GLU 86 Ca -0.03 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2kku h GLU 86 Cb 0.42 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2kku h GLU 86 CO 0.05 0.08 -0.35 1.25 -1.16 0.00 0.00 179.01 178.89 2kku h LEU 87 N 0.00 -0.82 -0.89 1.33 5.85 -1.02 -1.94 115.31 117.82 2kku h LEU 87 Ca -0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2kku h LEU 87 Cb 0.14 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2kku h LEU 87 CO 0.01 -0.49 0.59 0.07 -0.34 0.00 0.00 178.44 178.28 2kku h LYS 88 N -1.14 1.17 0.00 1.25 5.09 -1.10 -0.66 116.57 121.18 2kku h LYS 88 Ca -0.10 -0.07 -0.07 0.00 0.09 0.00 0.00 60.65 60.50 2kku h LYS 88 Cb 0.77 -0.26 -0.01 0.00 0.10 0.00 0.00 32.23 32.82 2kku h LYS 88 CO 0.16 0.77 -0.35 1.05 -2.09 0.00 0.00 179.45 178.99 2kku h GLU 89 N 1.20 0.00 -0.21 0.07 4.11 -1.61 -1.69 114.58 116.46 2kku h GLU 89 Ca 0.33 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.71 2kku h GLU 89 Cb -0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2kku h GLU 89 CO -0.07 0.35 -0.07 -0.92 0.07 0.00 0.00 179.01 178.37 2kku h TYR 90 N 0.00 0.47 -0.54 2.06 3.20 -0.62 -1.43 116.97 120.11 2kku h TYR 90 Ca -0.00 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.64 2kku h TYR 90 Cb 1.22 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 2kku h TYR 90 CO 0.00 0.67 -0.12 0.52 -1.64 0.00 0.00 178.16 177.59 2kku h MET 91 N 0.13 1.02 -0.64 1.82 2.86 -1.04 -1.41 114.93 117.67 2kku h MET 91 Ca 0.05 -0.38 -0.06 0.00 -2.06 0.00 0.00 59.70 57.25 2kku h MET 91 Cb 0.53 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 2kku h MET 91 CO 0.02 1.07 0.17 0.87 1.06 0.00 0.00 176.91 180.10 2kku h LYS 92 N 0.91 0.99 -0.55 1.72 1.79 -1.36 -2.29 116.57 117.78 2kku h LYS 92 Ca 0.14 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2kku h LYS 92 Cb 0.69 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 2kku h LYS 92 CO 0.05 0.87 0.28 1.03 -1.08 0.00 0.00 179.45 180.60 2kku h SER 93 N 0.95 0.70 -0.51 0.86 0.87 -0.87 -1.26 113.55 114.28 2kku h SER 93 Ca 0.20 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2kku h SER 93 Cb 0.32 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2kku h SER 93 CO -0.00 0.62 0.15 1.56 -0.53 0.00 0.00 176.83 178.62 2kku h GLN 94 N 0.74 0.81 -0.01 2.24 1.08 -1.05 -2.38 115.11 116.53 2kku h GLN 94 Ca 0.19 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kku h GLN 94 Cb 0.09 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2kku h GLN 94 CO -0.03 0.76 -0.11 -0.85 -0.95 0.00 0.00 178.83 177.65 2kku n GLU 95 N -4.47 1.10 -0.10 1.46 0.28 -0.88 -1.53 120.64 116.50 2kku n GLU 95 Ca 0.02 -0.56 -0.13 0.00 -0.16 0.00 0.00 57.16 56.33 2kku n GLU 95 Cb 0.21 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.44 2kku n GLU 95 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2kku n ARG 96 N -0.46 0.68 0.08 3.44 1.85 -0.49 -4.54 116.66 117.22 2kku n ARG 96 Ca 0.16 0.07 0.11 0.00 -1.00 0.00 0.00 57.85 57.19 2kku n ARG 96 Cb 0.31 -1.54 -0.03 0.00 -1.05 0.00 0.00 32.46 30.16 2kku n ARG 96 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2kku n TRP 97 N -2.96 0.85 0.00 2.89 5.03 -0.90 -4.96 117.44 117.38 2kku n TRP 97 Ca -0.36 0.25 0.00 0.00 3.03 0.00 0.00 57.50 60.42 2kku n TRP 97 Cb 1.09 -0.91 0.00 0.00 -1.03 0.00 0.00 31.31 30.46 2kku n TRP 97 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2kku n GLY 98 N 1.21 1.18 0.21 6.99 0.00 -0.58 -5.06 105.19 109.14 2kku n GLY 98 Ca -0.01 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2kku n GLY 98 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2kku h ARG 99 N 0.00 0.66 0.00 1.61 9.65 -1.69 -3.44 114.38 121.18 2kku h ARG 99 Ca 0.00 -0.51 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 2kku h ARG 99 Cb 0.00 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2kku h ARG 99 CO 0.00 1.13 0.00 -2.13 2.80 0.00 0.00 179.97 181.77 2kku n ARG 100 N -3.92 0.00 -2.78 0.20 0.63 -1.26 -4.69 116.66 104.84 2kku n ARG 100 Ca -0.06 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.45 2kku n ARG 100 Cb 0.70 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.58 2kku n ARG 100 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2kku s ARG 101 N 0.00 3.36 -0.93 -0.14 6.06 -1.26 -4.96 118.95 121.09 2kku s ARG 101 Ca 0.00 -0.17 -0.24 0.00 -2.50 0.00 0.00 55.73 52.82 2kku s ARG 101 Cb 0.00 -4.05 -0.03 0.00 0.06 0.00 0.00 34.95 30.93 2kku s ARG 101 CO 0.00 -1.55 1.84 -1.21 -2.50 0.00 0.00 175.30 171.89 2kku s GLU 102 N 4.19 2.77 -1.10 5.12 2.02 -1.26 -4.90 118.70 125.54 2kku s GLU 102 Ca 0.33 -0.46 -0.22 0.00 0.02 0.00 0.00 54.97 54.64 2kku s GLU 102 Cb -0.11 -5.12 -0.01 0.00 0.10 0.00 0.00 34.13 28.98 2kku s GLU 102 CO 0.20 -3.13 1.79 -1.12 0.02 0.00 0.00 175.26 173.02 2kku s SER 103 N 7.39 5.76 0.70 -0.19 0.01 -1.26 -4.98 113.70 121.14 2kku s SER 103 Ca 0.65 -1.52 -0.14 0.00 1.31 0.00 0.00 55.95 56.25 2kku s SER 103 Cb -0.05 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.62 2kku s SER 103 CO -0.03 -2.24 1.11 -0.75 0.41 0.00 0.00 173.24 171.75 2kku s LYS 104 N 5.81 2.56 1.88 12.44 2.47 -1.26 -4.42 119.74 139.22 2kku s LYS 104 Ca 0.61 1.37 0.00 0.00 -1.56 0.00 0.00 55.97 56.39 2kku s LYS 104 Cb -0.01 -1.92 0.00 0.00 -1.46 0.00 0.00 37.83 34.44 2kku s LYS 104 CO 0.03 -1.43 0.00 1.17 0.16 0.00 0.00 175.35 175.28 2kku n LYS 105 N -2.76 0.00 -2.36 4.03 4.81 -1.26 -4.73 118.16 115.89 2kku n LYS 105 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.51 2kku n LYS 105 Cb 0.52 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.56 2kku n LYS 105 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2kku n LYS 106 N 0.00 0.11 -4.15 1.64 0.00 -1.26 -5.18 118.16 109.31 2kku n LYS 106 Ca 0.00 -0.53 -0.15 0.00 -0.00 0.00 0.00 58.31 57.63 2kku n LYS 106 Cb 0.00 0.43 -0.13 0.00 -0.00 0.00 0.00 35.03 35.33 2kku n LYS 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2kku s LYS 107 N -2.22 0.56 -0.19 -1.58 2.47 -1.26 -4.93 119.74 112.59 2kku s LYS 107 Ca 0.06 -0.53 -0.29 0.00 -1.56 0.00 0.00 55.97 53.65 2kku s LYS 107 Cb 0.00 -0.45 0.00 0.00 -1.46 0.00 0.00 37.83 35.92 2kku s LYS 107 CO 0.04 0.11 1.02 -1.17 0.16 0.00 0.00 175.35 175.51 2kku s LEU 108 N -0.92 4.14 0.23 5.43 1.98 -1.26 -4.40 118.68 123.88 2kku s LEU 108 Ca -0.03 1.41 0.07 0.00 -2.89 0.00 0.00 54.13 52.69 2kku s LEU 108 Cb -0.06 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.21 2kku s LEU 108 CO 0.00 -0.60 0.13 0.26 -1.89 0.00 0.00 176.35 174.25 2kku s TRP 109 N 2.84 3.01 -0.08 5.38 0.52 -0.20 -2.21 118.94 128.20 2kku s TRP 109 Ca 0.45 -0.12 -0.04 0.00 0.02 0.00 0.00 56.10 56.41 2kku s TRP 109 Cb -0.16 -1.38 0.04 0.00 -1.15 0.00 0.00 33.47 30.82 2kku s TRP 109 CO 0.10 0.54 0.18 0.00 0.02 0.00 0.00 176.95 177.78 2kku s MET 110 N -3.59 0.13 -0.47 4.98 0.23 -0.04 -1.26 119.30 119.28 2kku s MET 110 Ca 0.32 0.40 -0.12 0.00 -1.03 0.00 0.00 55.69 55.26 2kku s MET 110 Cb -0.08 -0.14 0.10 0.00 -1.53 0.00 0.00 34.83 33.18 2kku s MET 110 CO 0.23 -0.15 0.37 0.00 -2.03 0.00 0.00 175.02 173.44 2kku s ALA 111 N 1.10 3.46 -0.30 3.16 0.00 -0.22 -0.84 121.76 128.12 2kku s ALA 111 Ca -0.08 -2.35 -0.26 0.00 0.00 0.00 0.00 51.96 49.27 2kku s ALA 111 Cb -0.10 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.09 2kku s ALA 111 CO -0.06 -1.83 0.90 0.42 0.00 0.00 0.00 175.76 175.19 2kku s ILE 112 N 1.49 4.70 -0.40 0.00 1.01 -0.34 -1.35 121.20 126.32 2kku s ILE 112 Ca 0.04 1.47 -0.28 0.00 0.00 0.00 0.00 60.65 61.89 2kku s ILE 112 Cb -0.26 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 37.99 2kku s ILE 112 CO 0.02 -0.29 1.03 -0.70 0.00 0.00 0.00 174.94 175.00 2kku s GLU 113 N 3.17 3.82 -0.05 2.79 2.12 -0.77 -0.81 118.70 128.98 2kku s GLU 113 Ca 0.38 0.64 -0.16 0.00 0.36 0.00 0.00 54.97 56.18 2kku s GLU 113 Cb -0.14 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 2kku s GLU 113 CO 0.12 -1.11 0.44 -0.51 -0.54 0.00 0.00 175.26 173.67 2kku s LEU 114 N 3.86 4.39 0.18 2.70 2.01 0.90 0.32 118.68 133.04 2kku s LEU 114 Ca 0.43 0.90 -0.00 0.00 0.01 0.00 0.00 54.13 55.47 2kku s LEU 114 Cb -0.10 -2.64 -0.04 0.00 0.01 0.00 0.00 46.19 43.41 2kku s LEU 114 CO 0.23 0.18 0.09 -1.83 1.01 0.00 0.00 176.35 176.02 2kku s GLU 115 N -0.30 1.13 -1.37 1.70 -1.05 -0.67 -1.68 118.70 116.45 2kku s GLU 115 Ca 0.25 -1.58 -0.04 0.00 -0.15 0.00 0.00 54.97 53.46 2kku s GLU 115 Cb -0.16 0.14 0.02 0.00 -0.44 0.00 0.00 34.13 33.69 2kku s GLU 115 CO 0.12 -0.31 0.76 -3.47 0.95 0.00 0.00 175.26 173.31 2kku n ASP 116 N -0.23 -2.06 -4.59 0.83 2.03 -1.05 -1.05 116.55 110.43 2kku n ASP 116 Ca -0.02 -0.81 -0.42 0.00 0.52 0.00 0.00 54.79 54.06 2kku n ASP 116 Cb 0.65 -3.98 -0.03 0.00 -0.72 0.00 0.00 41.12 37.04 2kku n ASP 116 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kku s VAL 117 N -3.59 3.53 -0.48 5.18 1.01 -0.73 -4.30 120.40 121.02 2kku s VAL 117 Ca 0.17 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 2kku s VAL 117 Cb -0.08 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.51 2kku s VAL 117 CO 0.82 -0.60 0.62 -0.75 0.00 0.00 0.00 175.10 175.19 2kku s LYS 118 N 5.84 3.16 -0.01 2.72 2.47 0.66 -4.91 119.74 129.67 2kku s LYS 118 Ca 0.73 -0.72 -0.30 0.00 -1.56 0.00 0.00 55.97 54.11 2kku s LYS 118 Cb -0.18 -4.05 -0.06 0.00 -1.46 0.00 0.00 37.83 32.08 2kku s LYS 118 CO 0.30 -1.14 1.53 0.15 0.16 0.00 0.00 175.35 176.35 2kku s LYS 119 N 2.67 4.23 -0.73 4.03 -0.14 -1.26 -0.88 119.74 127.66 2kku s LYS 119 Ca 0.17 2.10 -0.26 0.00 -1.36 0.00 0.00 55.97 56.62 2kku s LYS 119 Cb -0.17 -3.71 -0.02 0.00 -1.68 0.00 0.00 37.83 32.25 2kku s LYS 119 CO 0.14 -0.70 1.77 0.71 -0.76 0.00 0.00 175.35 176.51 2kku s TYR 120 N 2.99 1.84 0.36 3.18 2.02 -0.76 -4.82 117.35 122.17 2kku s TYR 120 Ca 0.68 0.52 0.07 0.00 -0.37 0.00 0.00 57.07 57.97 2kku s TYR 120 Cb -0.33 -4.20 0.70 0.00 -0.40 0.00 0.00 41.96 37.73 2kku s TYR 120 CO 0.28 -2.11 1.90 -0.44 -1.57 0.00 0.00 175.55 173.61 2kku h ASP 121 N 12.99 0.37 -3.37 2.29 3.32 -1.92 -3.41 116.42 126.70 2kku h ASP 121 Ca -0.14 -0.07 -0.55 0.00 0.02 0.00 0.00 57.03 56.28 2kku h ASP 121 Cb 1.10 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 2kku h ASP 121 CO 1.24 0.47 0.07 -1.59 -1.72 0.00 0.00 179.24 177.70 2kku s LYS 122 N -4.89 4.38 -0.51 3.56 -2.85 -1.26 -5.04 119.74 113.13 2kku s LYS 122 Ca -0.07 0.91 -0.28 0.00 -1.00 0.00 0.00 55.97 55.54 2kku s LYS 122 Cb 0.16 -3.29 -0.00 0.00 -2.06 0.00 0.00 37.83 32.63 2kku s LYS 122 CO 0.75 0.49 1.58 -1.25 0.10 0.00 0.00 175.35 177.03 2kku s PRO 123 N -0.72 3.20 -0.48 1.78 0.04 -1.26 -4.98 135.00 132.59 2kku s PRO 123 Ca 0.33 0.73 -0.21 0.00 0.04 0.00 0.00 61.00 61.89 2kku s PRO 123 Cb -0.20 -4.18 0.04 0.00 0.04 0.00 0.00 34.50 30.19 2kku s PRO 123 CO 0.21 -2.05 0.71 0.42 0.04 0.00 0.00 177.00 176.34 2kku s ILE 124 N 6.78 4.74 0.27 0.56 1.01 -1.24 -5.01 121.20 128.31 2kku s ILE 124 Ca 0.62 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.00 2kku s ILE 124 Cb -0.14 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 37.93 2kku s ILE 124 CO 0.27 -0.76 1.09 -0.54 0.00 0.00 0.00 174.94 175.00 2kku s LYS 125 N 3.03 4.65 0.69 2.79 3.01 -1.25 -1.84 119.74 130.82 2kku s LYS 125 Ca 0.23 1.79 -0.05 0.00 -1.01 0.00 0.00 55.97 56.92 2kku s LYS 125 Cb -0.15 -3.20 0.06 0.00 -1.01 0.00 0.00 37.83 33.54 2kku s LYS 125 CO 0.18 0.22 0.98 -1.25 0.51 0.00 0.00 175.35 175.99 2kku s PRO 126 N -1.40 2.21 0.05 -1.68 0.04 -1.26 -4.94 135.00 128.01 2kku s PRO 126 Ca 0.44 -0.36 0.13 0.00 0.04 0.00 0.00 61.00 61.26 2kku s PRO 126 Cb -0.32 -2.22 -0.17 0.00 0.04 0.00 0.00 34.50 31.84 2kku s PRO 126 CO 0.40 -1.18 0.88 0.87 0.04 0.00 0.00 177.00 178.01 2kku h LYS 127 N -0.51 0.00 -4.13 4.56 6.56 -1.99 -3.49 116.57 117.57 2kku h LYS 127 Ca -0.44 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.01 2kku h LYS 127 Cb 1.31 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.84 2kku h LYS 127 CO 0.58 0.50 -0.46 -0.98 -2.06 0.00 0.00 179.45 177.04 2kku s ARG 128 N -2.76 1.09 0.16 3.15 1.70 -1.26 -5.15 118.95 115.89 2kku s ARG 128 Ca -0.02 -1.31 -0.30 0.00 -0.47 0.00 0.00 55.73 53.62 2kku s ARG 128 Cb 0.08 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.71 2kku s ARG 128 CO 0.81 -0.37 1.20 -1.17 -1.08 0.00 0.00 175.30 174.69 2kku s LEU 129 N -3.02 4.44 -0.52 -1.89 1.98 -1.26 -5.02 118.68 113.38 2kku s LEU 129 Ca 0.22 2.20 -0.14 0.00 -2.89 0.00 0.00 54.13 53.51 2kku s LEU 129 Cb 0.05 -3.60 0.13 0.00 0.66 0.00 0.00 46.19 43.43 2kku s LEU 129 CO 0.02 -0.39 0.46 -0.69 -1.89 0.00 0.00 176.35 173.87 2kku s VAL 130 N 0.13 4.98 1.20 1.68 1.01 -1.26 -4.98 120.40 123.16 2kku s VAL 130 Ca 0.54 -1.57 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 2kku s VAL 130 Cb -0.32 -4.21 0.28 0.00 0.00 0.00 0.00 36.38 32.14 2kku s VAL 130 CO 0.35 -0.85 1.08 -2.16 0.00 0.00 0.00 175.10 173.52 2kku s PRO 131 N 1.54 -1.23 0.50 2.72 0.04 -1.26 -4.46 135.00 132.85 2kku s PRO 131 Ca 0.04 0.07 0.19 0.00 0.04 0.00 0.00 61.00 61.33 2kku s PRO 131 Cb -0.29 -1.58 1.26 0.00 0.04 0.00 0.00 34.50 33.92 2kku s PRO 131 CO 0.02 -3.74 2.06 -0.39 0.04 0.00 0.00 177.00 174.99 2kku h VAL 132 N -2.61 0.89 0.00 -0.36 -1.51 -1.99 0.28 116.25 110.95 2kku h VAL 132 Ca -0.47 -0.03 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 2kku h VAL 132 Cb 1.31 0.78 -0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2kku h VAL 132 CO 0.37 0.02 -0.06 1.23 -1.23 0.00 0.00 177.57 177.90 2kku h GLY 133 N 0.10 0.00 0.00 5.19 0.00 -1.98 -3.45 103.07 102.92 2kku h GLY 133 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2kku h GLY 133 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 2kku n GLY 134 N -0.08 -1.20 3.55 4.60 0.00 0.09 -4.92 105.19 107.23 2kku n GLY 134 Ca 0.00 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 2kku n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kku s GLN 135 N -3.09 2.00 -0.18 1.61 -1.52 -0.63 -4.80 119.66 113.04 2kku s GLN 135 Ca 0.00 -1.30 -0.21 0.00 -1.95 0.00 0.00 55.36 51.89 2kku s GLN 135 Cb 0.00 -2.12 -0.03 0.00 -0.22 0.00 0.00 33.01 30.64 2kku s GLN 135 CO 0.00 0.43 0.65 0.71 -0.25 0.00 0.00 175.29 176.83 2kku s TYR 136 N -1.71 3.40 -0.33 0.91 2.02 -1.26 -1.12 117.35 119.26 2kku s TYR 136 Ca 0.24 0.99 -0.21 0.00 -0.37 0.00 0.00 57.07 57.73 2kku s TYR 136 Cb -0.09 -2.82 -0.00 0.00 -0.40 0.00 0.00 41.96 38.65 2kku s TYR 136 CO 0.15 -0.15 0.66 -1.17 -1.57 0.00 0.00 175.55 173.46 2kku s LEU 137 N 1.82 4.18 -0.02 -1.29 0.20 -0.82 -4.91 118.68 117.85 2kku s LEU 137 Ca 0.30 0.34 0.05 0.00 0.69 0.00 0.00 54.13 55.51 2kku s LEU 137 Cb -0.16 -2.84 -0.01 0.00 -0.43 0.00 0.00 46.19 42.75 2kku s LEU 137 CO 0.11 -0.55 -0.16 0.00 -0.29 0.00 0.00 176.35 175.46 2kku s ARG 138 N 2.71 1.33 0.00 1.98 3.03 -1.26 -1.31 118.95 125.43 2kku s ARG 138 Ca 0.26 -0.57 0.19 0.00 2.03 0.00 0.00 55.73 57.64 2kku s ARG 138 Cb -0.15 -1.27 1.11 0.00 -1.03 0.00 0.00 34.95 33.61 2kku s ARG 138 CO 0.13 0.33 1.50 -1.91 -1.13 0.00 0.00 175.30 174.23