#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kku h SER 2 N 0.00 0.00 0.18 6.12 0.02 -1.90 -2.14 113.55 115.83 2kku h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kku h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kku h SER 2 CO 0.00 0.00 0.00 2.29 -1.14 0.00 0.00 176.83 177.98 2kku n LYS 3 N -3.92 0.10 -0.57 3.45 2.85 -1.26 -5.01 118.16 113.81 2kku n LYS 3 Ca 0.43 0.53 0.08 0.00 -1.05 0.00 0.00 58.31 58.30 2kku n LYS 3 Cb 1.98 -1.78 -0.02 0.00 -0.65 0.00 0.00 35.03 34.56 2kku n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2kku n ILE 4 N -1.98 0.00 0.00 0.58 2.08 -0.81 -4.97 119.36 114.26 2kku n ILE 4 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2kku n ILE 4 Cb 0.07 -0.19 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 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 -2.37 0.00 -2.58 1.39 0.24 -0.72 -3.06 118.33 111.23 2kku n VAL 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2kku n VAL 5 Cb 0.26 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 -1.19 1.89 3.33 7.63 0.00 -0.64 -2.00 105.19 114.21 2kku n GLY 6 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.55 1.78 -0.01 1.61 0.11 -0.76 -1.25 120.40 119.33 2kku s VAL 7 Ca 0.00 -1.95 0.05 0.00 -2.93 0.00 0.00 61.98 57.15 2kku s VAL 7 Cb 0.00 -1.85 -0.01 0.00 -1.53 0.00 0.00 36.38 32.98 2kku s VAL 7 CO 0.00 -0.36 -0.18 0.28 -3.33 0.00 0.00 175.10 171.51 2kku s THR 8 N -2.19 1.38 -0.02 5.04 -1.32 -0.31 -1.62 115.64 116.60 2kku s THR 8 Ca 0.16 -0.76 -0.03 0.00 -1.21 0.00 0.00 61.69 59.86 2kku s THR 8 Cb -0.05 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 2kku s THR 8 CO 0.06 0.38 0.06 -0.31 -2.21 0.00 0.00 174.62 172.61 2kku s TYR 9 N -0.42 -0.01 -0.76 9.09 2.02 -1.05 -2.30 117.35 123.92 2kku s TYR 9 Ca 0.07 0.03 0.24 0.00 -0.37 0.00 0.00 57.07 57.03 2kku s TYR 9 Cb -0.07 -0.02 0.91 0.00 -0.40 0.00 0.00 41.96 42.39 2kku s TYR 9 CO -0.01 -0.09 1.73 -0.35 -1.57 0.00 0.00 175.55 175.26 2kku n PRO 10 N 2.61 0.14 -1.27 -1.71 -0.04 -1.26 -0.89 135.00 132.58 2kku n PRO 10 Ca -0.15 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2kku n PRO 10 Cb 0.58 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.95 -6.90 0.48 0.52 2.08 -1.26 -4.78 119.36 107.55 2kku n ILE 11 Ca 0.04 1.80 0.05 0.00 0.56 0.00 0.00 62.75 65.20 2kku n ILE 11 Cb 0.30 -3.46 0.27 0.00 -0.75 0.00 0.00 39.64 36.00 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 0.73 0.11 -4.32 0.38 -0.04 -1.26 -4.70 135.00 125.89 2kku n PRO 12 Ca 0.00 0.22 -0.17 0.00 -0.04 0.00 0.00 63.50 63.51 2kku n PRO 12 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.71 1.45 0.00 0.54 1.02 -1.26 -5.04 119.74 113.74 2kku s LYS 13 Ca 0.09 -1.79 0.23 0.00 0.02 0.00 0.00 55.97 54.52 2kku s LYS 13 Cb 0.07 -0.24 1.20 0.00 -0.52 0.00 0.00 37.83 38.35 2kku s LYS 13 CO 0.18 -0.33 1.77 -2.13 -0.92 0.00 0.00 175.35 173.92 2kku n ARG 14 N -0.49 0.38 0.00 1.68 0.00 -1.26 -3.87 116.66 113.09 2kku n ARG 14 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 2kku n ARG 14 Cb 0.66 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.62 2kku n ARG 14 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kku n PHE 15 N -1.25 0.00 0.07 -0.14 3.72 -1.26 -3.45 117.46 115.15 2kku n PHE 15 Ca 0.12 -0.28 0.05 0.00 -0.05 0.00 0.00 57.45 57.29 2kku n PHE 15 Cb 0.17 -0.18 0.48 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.32 0.39 0.00 -1.08 -0.00 -1.93 -2.95 114.93 109.69 2kku h MET 16 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.67 2kku h MET 16 Cb 0.68 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 32.19 2kku h MET 16 CO 0.00 0.27 -0.03 -0.44 -0.00 0.00 0.00 176.91 176.71 2kku h ASP 17 N 0.40 0.00 -0.50 -0.10 3.32 -1.93 -2.80 116.42 114.81 2kku h ASP 17 Ca 0.11 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.20 2kku h ASP 17 Cb -0.02 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 2kku h ASP 17 CO -0.02 0.03 0.26 0.03 -1.72 0.00 0.00 179.24 177.82 2kku h ARG 18 N 0.00 0.49 -0.09 3.56 2.47 -1.82 0.18 114.38 119.16 2kku h ARG 18 Ca -0.00 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2kku h ARG 18 Cb 0.29 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 2kku h ARG 18 CO 0.00 0.33 -0.10 0.74 0.56 0.00 0.00 179.97 181.50 2kku h PHE 19 N 0.51 0.14 0.00 3.04 -1.00 -1.69 -2.12 116.94 115.82 2kku h PHE 19 Ca 0.22 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.99 2kku h PHE 19 Cb 0.12 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.64 2kku h PHE 19 CO -0.10 0.24 -1.06 1.19 -1.61 0.00 0.00 178.31 176.97 2kku n PHE 20 N -4.35 0.71 -0.03 -0.55 3.72 -0.93 -2.09 117.46 113.94 2kku n PHE 20 Ca -0.01 0.21 -0.14 0.00 -0.05 0.00 0.00 57.45 57.45 2kku n PHE 20 Cb 0.21 -0.80 -0.10 0.00 -0.94 0.00 0.00 39.48 37.86 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 0.25 0.00 -1.08 3.11 -0.00 -3.37 116.57 115.47 2kku h LYS 21 Ca 0.00 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.65 2kku h LYS 21 Cb 0.93 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 2kku h LYS 21 CO 0.00 0.83 -1.24 0.36 -2.81 0.00 0.00 179.45 176.59 2kku n LYS 22 N -4.53 1.25 -0.42 1.90 2.85 -1.00 -5.01 118.16 113.21 2kku n LYS 22 Ca -0.08 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 2kku n LYS 22 Cb 0.44 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 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 1.54 2.00 3.15 2.58 0.00 -0.89 -4.90 105.19 108.68 2kku n GLY 23 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.03 0.52 0.48 1.61 -2.85 -1.25 -1.66 119.74 116.56 2kku s LYS 24 Ca 0.00 0.83 0.02 0.00 -1.00 0.00 0.00 55.97 55.82 2kku s LYS 24 Cb 0.00 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.21 2kku s LYS 24 CO 0.00 -0.65 0.06 0.34 0.10 0.00 0.00 175.35 175.20 2kku s ASP 25 N 2.87 3.64 -0.22 0.03 -1.08 0.20 -4.87 116.67 117.23 2kku s ASP 25 Ca 0.17 -1.72 -0.01 0.00 -0.52 0.00 0.00 52.55 50.48 2kku s ASP 25 Cb -0.13 0.64 0.06 0.00 -1.46 0.00 0.00 42.92 42.03 2kku s ASP 25 CO -0.21 -0.95 -0.02 -0.69 0.52 0.00 0.00 175.17 173.82 2kku s VAL 26 N -3.02 1.17 -0.42 1.11 1.01 -0.52 -0.17 120.40 119.55 2kku s VAL 26 Ca 0.10 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 2kku s VAL 26 Cb 0.01 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2kku s VAL 26 CO 0.07 -0.16 0.94 0.12 0.00 0.00 0.00 175.10 176.07 2kku s PHE 27 N 1.56 2.98 0.05 5.22 5.36 -0.49 -2.61 117.98 130.05 2kku s PHE 27 Ca -0.04 0.57 -0.19 0.00 -0.96 0.00 0.00 56.93 56.31 2kku s PHE 27 Cb -0.18 -3.87 -0.06 0.00 -0.34 0.00 0.00 43.02 38.57 2kku s PHE 27 CO -0.07 -1.00 0.54 0.14 -1.46 0.00 0.00 175.22 173.37 2kku s VAL 28 N 3.69 4.80 -0.05 3.12 -7.23 -1.26 -1.17 120.40 122.30 2kku s VAL 28 Ca 0.38 1.15 0.00 0.00 -1.81 0.00 0.00 61.98 61.71 2kku s VAL 28 Cb -0.11 -3.87 0.02 0.00 0.56 0.00 0.00 36.38 32.99 2kku s VAL 28 CO 0.24 0.55 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.80 2kku s LYS 29 N -1.01 0.66 -1.07 4.82 2.47 -0.21 -5.00 119.74 120.42 2kku s LYS 29 Ca 0.28 -0.02 -0.07 0.00 -1.56 0.00 0.00 55.97 54.60 2kku s LYS 29 Cb -0.19 -0.78 -0.06 0.00 -1.46 0.00 0.00 37.83 35.34 2kku s LYS 29 CO 0.18 -0.14 2.28 -0.35 0.16 0.00 0.00 175.35 177.48 2kku n PRO 30 N 4.29 2.42 -1.51 4.03 -0.04 -1.26 -0.70 135.00 142.22 2kku n PRO 30 Ca -0.22 -1.63 -0.10 0.00 -0.04 0.00 0.00 63.50 61.51 2kku n PRO 30 Cb 0.51 -2.54 -0.04 0.00 -0.04 0.00 0.00 33.50 31.38 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 4.18 -0.28 -0.17 0.55 0.00 -1.06 -4.85 120.51 118.88 2kku n ALA 31 Ca 0.52 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 54.02 2kku n ALA 31 Cb 0.16 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.43 2kku n ALA 31 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2kku h THR 32 N 0.00 1.24 -4.09 0.00 2.02 -1.89 -3.43 112.91 106.77 2kku h THR 32 Ca -0.22 -0.86 -0.48 0.00 0.77 0.00 0.00 66.41 65.62 2kku h THR 32 Cb 0.77 0.85 0.05 0.00 -1.74 0.00 0.00 68.15 68.08 2kku h THR 32 CO 0.31 0.31 0.40 0.68 0.37 0.00 0.00 175.52 177.59 2kku s VAL 33 N -5.28 3.54 0.40 3.16 -7.23 -1.26 -5.07 120.40 108.65 2kku s VAL 33 Ca -0.13 0.94 -0.06 0.00 -1.81 0.00 0.00 61.98 60.93 2kku s VAL 33 Cb 0.11 -3.38 0.09 0.00 0.56 0.00 0.00 36.38 33.76 2kku s VAL 33 CO 0.79 -0.22 0.54 0.79 -0.31 0.00 0.00 175.10 176.69 2kku n TRP 34 N -1.17 -3.83 0.37 2.82 8.01 -1.26 -4.95 117.44 117.43 2kku n TRP 34 Ca 0.10 -0.55 0.05 0.00 -1.31 0.00 0.00 57.50 55.79 2kku n TRP 34 Cb 0.52 -0.41 0.22 0.00 -2.01 0.00 0.00 31.31 29.63 2kku n TRP 34 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 2kku n LYS 35 N -2.12 0.03 0.30 -0.99 0.00 -1.26 -2.22 118.16 111.90 2kku n LYS 35 Ca 0.07 0.30 0.15 0.00 0.00 0.00 0.00 58.31 58.84 2kku n LYS 35 Cb 0.25 -1.50 0.92 0.00 0.00 0.00 0.00 35.03 34.69 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2kku h GLU 36 N 0.00 0.00 -5.92 1.64 4.39 -2.03 -3.39 114.58 109.27 2kku h GLU 36 Ca 0.00 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.27 2kku h GLU 36 Cb 0.16 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 2kku h GLU 36 CO 0.00 0.02 1.08 -1.17 -1.16 0.00 0.00 179.01 177.77 2kku s LEU 37 N -7.52 3.29 0.18 1.33 1.98 -0.94 -4.98 118.68 112.02 2kku s LEU 37 Ca -0.05 -0.80 0.09 0.00 -2.89 0.00 0.00 54.13 50.48 2kku s LEU 37 Cb 0.15 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.39 2kku s LEU 37 CO 0.54 -2.23 -0.13 -1.59 -1.89 0.00 0.00 176.35 171.05 2kku s LYS 38 N 6.25 1.94 -0.66 1.98 0.00 -1.26 -5.01 119.74 122.99 2kku s LYS 38 Ca 0.59 -1.33 -0.26 0.00 0.00 0.00 0.00 55.97 54.97 2kku s LYS 38 Cb -0.05 -2.09 -0.01 0.00 0.00 0.00 0.00 37.83 35.67 2kku s LYS 38 CO -0.00 0.43 1.76 -1.25 0.00 0.00 0.00 175.35 176.28 2kku s PRO 39 N -2.80 2.73 0.00 1.78 0.04 -1.26 -2.99 135.00 132.50 2kku s PRO 39 Ca 0.24 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2kku s PRO 39 Cb -0.09 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2kku s PRO 39 CO 0.14 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 174.92 2kku n GLY 40 N 5.73 0.27 3.43 0.56 0.00 0.06 -4.90 105.19 110.34 2kku n GLY 40 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.78 -4.12 1.61 2.81 -1.16 -4.82 117.12 109.66 2kku n MET 41 Ca 0.00 -1.79 -0.22 0.00 -1.81 0.00 0.00 57.70 53.88 2kku n MET 41 Cb 0.00 -1.34 -0.05 0.00 -0.71 0.00 0.00 33.22 31.13 2kku n MET 41 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2kku s LYS 42 N -5.54 2.88 -0.33 0.03 -2.85 -0.85 -0.86 119.74 112.23 2kku s LYS 42 Ca 0.68 -1.08 -0.01 0.00 -1.00 0.00 0.00 55.97 54.55 2kku s LYS 42 Cb -0.03 -2.54 0.11 0.00 -2.06 0.00 0.00 37.83 33.31 2kku s LYS 42 CO 0.49 0.39 0.14 0.12 0.10 0.00 0.00 175.35 176.60 2kku s PHE 43 N -2.15 1.15 -0.23 1.78 2.19 -0.43 -1.82 117.98 118.46 2kku s PHE 43 Ca 0.33 -1.54 -0.23 0.00 0.33 0.00 0.00 56.93 55.82 2kku s PHE 43 Cb -0.08 -1.35 -0.01 0.00 -1.31 0.00 0.00 43.02 40.27 2kku s PHE 43 CO 0.25 -0.84 0.74 0.08 1.83 0.00 0.00 175.22 177.28 2kku s VAL 44 N 1.52 4.91 -0.65 3.12 1.01 -0.64 -0.66 120.40 129.00 2kku s VAL 44 Ca 0.12 1.40 -0.26 0.00 0.00 0.00 0.00 61.98 63.24 2kku s VAL 44 Cb -0.19 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.19 2kku s VAL 44 CO -0.21 -0.01 1.15 -0.36 0.00 0.00 0.00 175.10 175.67 2kku s PHE 45 N 2.53 2.52 0.72 5.22 0.08 0.23 -2.51 117.98 126.76 2kku s PHE 45 Ca 0.32 -0.01 -0.11 0.00 0.12 0.00 0.00 56.93 57.25 2kku s PHE 45 Cb -0.16 -4.45 0.02 0.00 -0.57 0.00 0.00 43.02 37.87 2kku s PHE 45 CO 0.09 -1.75 1.07 -0.47 -0.10 0.00 0.00 175.22 174.05 2kku s TYR 46 N 4.95 3.05 -0.10 0.36 5.04 -0.07 -1.03 117.35 129.55 2kku s TYR 46 Ca 0.34 1.37 -0.04 0.00 -2.44 0.00 0.00 57.07 56.29 2kku s TYR 46 Cb -0.10 -2.93 0.02 0.00 0.35 0.00 0.00 41.96 39.29 2kku s TYR 46 CO 0.18 -1.35 0.08 0.94 -1.34 0.00 0.00 175.55 174.06 2kku n GLN 47 N -3.20 -2.00 -0.98 4.97 7.27 -0.18 -4.14 117.38 119.12 2kku n GLN 47 Ca 0.07 1.80 -0.21 0.00 0.07 0.00 0.00 57.00 58.73 2kku n GLN 47 Cb 0.54 -2.94 0.08 0.00 2.41 0.00 0.00 30.24 30.33 2kku n GLN 47 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2kku n SER 48 N 0.66 5.61 0.00 1.69 2.88 -1.14 -4.48 113.62 118.84 2kku n SER 48 Ca -0.14 -3.25 0.00 0.00 -1.33 0.00 0.00 58.87 54.14 2kku n SER 48 Cb 0.22 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2kku n SER 48 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2kku n HIS 49 N -0.34 0.00 -3.24 0.66 -0.00 -1.26 -3.27 115.22 107.77 2kku n HIS 49 Ca 0.42 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.38 2kku n HIS 49 Cb 0.88 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.68 2kku n HIS 49 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2kku n GLU 50 N 0.00 0.38 0.06 1.57 1.02 -1.26 -4.94 120.64 117.47 2kku n GLU 50 Ca 0.00 -2.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 2kku n GLU 50 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2kku n GLU 50 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kku n ASP 51 N 2.46 -0.80 -3.86 1.62 2.03 -1.20 -5.17 116.55 111.63 2kku n ASP 51 Ca 0.25 0.24 -0.14 0.00 0.52 0.00 0.00 54.79 55.67 2kku n ASP 51 Cb 0.51 0.96 -0.08 0.00 -0.72 0.00 0.00 41.12 41.79 2kku n ASP 51 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kku s THR 52 N -1.31 0.00 0.21 5.18 -1.32 -1.26 -5.07 115.64 112.06 2kku s THR 52 Ca 0.00 -1.86 -0.05 0.00 -1.21 0.00 0.00 61.69 58.58 2kku s THR 52 Cb 0.00 -2.47 0.02 0.00 -1.51 0.00 0.00 72.50 68.54 2kku s THR 52 CO 0.00 0.00 1.61 1.23 -2.21 0.00 0.00 174.62 175.25 2kku h GLY 53 N 2.39 0.83 -6.20 6.08 0.00 -1.69 -3.01 103.07 101.47 2kku h GLY 53 Ca -0.31 -0.73 -0.54 0.00 0.00 0.00 0.00 47.33 45.75 2kku h GLY 53 CO 0.45 0.67 -0.82 -1.36 0.00 0.00 0.00 176.54 175.48 2kku s PHE 54 N -4.55 1.64 0.14 5.60 0.08 -1.09 -1.01 117.98 118.79 2kku s PHE 54 Ca -0.09 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.22 2kku s PHE 54 Cb 0.13 -1.25 -0.08 0.00 -0.57 0.00 0.00 43.02 41.25 2kku s PHE 54 CO 0.84 -0.44 1.32 -0.24 -0.10 0.00 0.00 175.22 176.60 2kku h VAL 55 N 6.05 1.50 -0.22 -0.44 3.04 -1.30 -3.43 116.25 121.44 2kku h VAL 55 Ca -0.31 -2.73 0.00 0.00 -1.01 0.00 0.00 66.70 62.64 2kku h VAL 55 Cb 1.16 2.57 0.00 0.00 -2.01 0.00 0.00 31.29 33.01 2kku h VAL 55 CO 0.46 0.80 0.00 0.61 -1.01 0.00 0.00 177.57 178.43 2kku n GLY 56 N 1.03 1.07 3.58 3.17 0.00 -1.08 -1.64 105.19 111.33 2kku n GLY 56 Ca -0.05 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 0.86 1.96 0.11 1.61 -1.05 -0.27 -0.60 118.70 121.31 2kku s GLU 57 Ca 0.00 -1.64 -0.06 0.00 -0.15 0.00 0.00 54.97 53.13 2kku s GLU 57 Cb 0.00 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2kku s GLU 57 CO 0.00 -0.84 0.29 0.00 0.95 0.00 0.00 175.26 175.66 2kku n ALA 58 N -0.54 -0.69 -3.64 -0.84 0.00 0.17 -0.21 120.51 114.76 2kku n ALA 58 Ca -0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 53.44 52.76 2kku n ALA 58 Cb 0.61 0.30 -0.17 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.03 1.79 0.07 0.00 1.81 -0.67 -1.32 118.95 118.61 2kku s ARG 59 Ca 0.06 -0.41 -0.31 0.00 -1.72 0.00 0.00 55.73 53.36 2kku s ARG 59 Cb -0.01 -1.59 -0.06 0.00 -0.45 0.00 0.00 34.95 32.84 2kku s ARG 59 CO 0.03 -0.08 1.20 0.42 -0.68 0.00 0.00 175.30 176.19 2kku s ILE 60 N 1.04 4.01 0.00 1.52 1.01 -0.04 -1.67 121.20 127.07 2kku s ILE 60 Ca -0.07 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.04 2kku s ILE 60 Cb -0.15 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2kku s ILE 60 CO -0.01 0.12 0.00 0.29 0.00 0.00 0.00 174.94 175.34 2kku n LYS 61 N 3.84 1.59 -1.46 2.79 4.76 0.78 -0.76 118.16 129.70 2kku n LYS 61 Ca 0.09 0.00 -0.62 0.00 -2.87 0.00 0.00 58.31 54.90 2kku n LYS 61 Cb 0.46 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.54 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 0.11 -2.82 1.97 1.85 -1.26 -2.73 116.66 113.78 2kku n ARG 62 Ca 0.00 0.04 -0.43 0.00 -1.00 0.00 0.00 57.85 56.46 2kku n ARG 62 Cb 0.00 -1.58 -0.04 0.00 -1.05 0.00 0.00 32.46 29.79 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 4.89 4.41 -0.46 8.89 -7.23 -1.26 -2.25 120.40 127.39 2kku s VAL 63 Ca 1.13 0.53 -0.23 0.00 -1.81 0.00 0.00 61.98 61.60 2kku s VAL 63 Cb -1.45 -4.50 0.03 0.00 0.56 0.00 0.00 36.38 31.02 2kku s VAL 63 CO 0.71 -1.00 0.78 -0.69 -0.31 0.00 0.00 175.10 174.58 2kku s VAL 64 N 3.92 4.66 -0.29 1.32 1.01 -0.38 -4.81 120.40 125.82 2kku s VAL 64 Ca 0.34 0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.42 2kku s VAL 64 Cb -0.11 -4.33 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 2kku s VAL 64 CO 0.23 -0.75 0.75 -0.76 0.00 0.00 0.00 175.10 174.57 2kku s LEU 65 N 3.27 4.09 -0.16 3.92 1.43 -1.26 -1.27 118.68 128.69 2kku s LEU 65 Ca 0.28 0.67 -0.09 0.00 -1.03 0.00 0.00 54.13 53.96 2kku s LEU 65 Cb -0.13 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.13 2kku s LEU 65 CO 0.21 -0.56 0.40 -0.55 0.23 0.00 0.00 176.35 176.09 2kku s SER 66 N 1.57 -0.50 0.00 2.29 0.15 -0.60 -5.03 113.70 111.58 2kku s SER 66 Ca 0.31 0.87 0.15 0.00 0.70 0.00 0.00 55.95 57.97 2kku s SER 66 Cb -0.15 0.75 0.72 0.00 -1.71 0.00 0.00 66.02 65.63 2kku s SER 66 CO 0.11 -0.19 1.42 -0.62 1.20 0.00 0.00 173.24 175.16 2kku n GLU 67 N 4.22 0.16 -3.82 5.44 1.02 -1.26 -1.81 120.64 124.59 2kku n GLU 67 Ca -0.23 0.17 -0.36 0.00 -0.02 0.00 0.00 57.16 56.72 2kku n GLU 67 Cb 0.55 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.67 5.25 0.33 1.62 0.01 -1.26 -4.27 114.94 113.95 2kku s ASN 68 Ca 0.12 -0.14 0.26 0.00 -0.71 0.00 0.00 52.86 52.39 2kku s ASN 68 Cb 0.10 -1.93 1.05 0.00 0.41 0.00 0.00 41.25 40.87 2kku s ASN 68 CO 0.23 0.01 1.78 1.55 -1.51 0.00 0.00 177.10 179.16 2kku h PRO 69 N 7.91 0.00 0.00 -0.60 0.13 -1.92 -3.11 132.00 134.41 2kku h PRO 69 Ca -0.37 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.65 2kku h PRO 69 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kku h PRO 69 CO 0.60 0.00 -0.49 0.52 -0.23 0.00 0.00 178.00 178.40 2kku h MET 70 N 0.00 0.00 -0.42 0.86 2.86 -1.95 -3.09 114.93 113.18 2kku h MET 70 Ca 0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2kku h MET 70 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2kku h MET 70 CO 0.00 0.49 0.29 0.37 1.06 0.00 0.00 176.91 179.11 2kku h GLN 71 N 0.00 0.29 0.00 1.72 -0.00 -1.95 -1.87 115.11 113.30 2kku h GLN 71 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2kku h GLN 71 Cb 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.76 2kku h GLN 71 CO 0.06 0.19 0.00 0.74 0.00 0.00 0.00 178.83 179.82 2kku h PHE 72 N 0.29 0.00 0.07 3.99 0.04 -1.72 -1.48 116.94 118.13 2kku h PHE 72 Ca 0.19 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.66 2kku h PHE 72 Cb 0.37 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 2kku h PHE 72 CO -0.00 0.00 -1.61 0.74 -0.60 0.00 0.00 178.31 176.84 2kku h PHE 73 N 0.00 0.28 0.00 -0.55 0.04 -1.49 -0.67 116.94 114.55 2kku h PHE 73 Ca 0.00 -0.20 -0.14 0.00 2.80 0.00 0.00 57.97 60.42 2kku h PHE 73 Cb 0.78 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 2kku h PHE 73 CO 0.00 1.30 -0.69 1.05 -0.60 0.00 0.00 178.31 179.37 2kku h GLU 74 N 0.04 0.00 0.14 1.51 4.11 -1.46 -2.71 114.58 116.21 2kku h GLU 74 Ca -0.26 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.91 2kku h GLU 74 Cb 2.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.25 2kku h GLU 74 CO 0.12 0.69 -1.24 1.15 0.07 0.00 0.00 179.01 179.80 2kku h THR 75 N 0.00 1.20 0.00 -1.06 2.02 -1.36 -3.45 112.91 110.26 2kku h THR 75 Ca -0.01 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.70 2kku h THR 75 Cb 1.35 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.66 2kku h THR 75 CO 0.09 0.72 -0.06 0.49 0.37 0.00 0.00 175.52 177.13 2kku n PHE 76 N -3.96 0.00 0.00 3.16 3.72 -0.29 -5.04 117.46 115.05 2kku n PHE 76 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2kku n PHE 76 Cb 0.90 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 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 3.02 1.66 0.26 1.37 0.00 -1.00 -3.96 105.19 106.54 2kku n GLY 77 Ca -0.01 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.40 2kku n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kku h ASP 78 N 0.00 0.00 -0.21 1.61 5.19 -1.92 -2.56 116.42 118.52 2kku h ASP 78 Ca 0.00 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.22 2kku h ASP 78 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 2kku h ASP 78 CO 0.00 0.11 -0.62 0.03 -3.12 0.00 0.00 179.24 175.64 2kku h ARG 79 N 0.00 0.80 -7.02 3.56 2.47 -1.90 -3.47 114.38 108.82 2kku h ARG 79 Ca -0.00 -0.58 -0.51 0.00 -1.26 0.00 0.00 59.98 57.64 2kku h ARG 79 Cb 0.52 0.10 0.07 0.00 -1.65 0.00 0.00 29.97 29.01 2kku h ARG 79 CO 0.01 1.20 0.47 0.08 0.56 0.00 0.00 179.97 182.30 2kku s VAL 80 N -3.94 3.10 -0.12 2.04 1.01 -0.97 -1.44 120.40 120.08 2kku s VAL 80 Ca -0.11 0.79 0.30 0.00 0.00 0.00 0.00 61.98 62.96 2kku s VAL 80 Cb 0.09 -3.38 0.34 0.00 0.00 0.00 0.00 36.38 33.43 2kku s VAL 80 CO 0.89 -0.05 1.88 2.19 0.00 0.00 0.00 175.10 180.01 2kku h PHE 81 N 1.82 0.00 -4.11 5.22 -0.00 -1.82 -3.45 116.94 114.60 2kku h PHE 81 Ca -0.50 0.00 -0.27 0.00 -0.00 0.00 0.00 57.97 57.20 2kku h PHE 81 Cb 1.25 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 37.05 2kku h PHE 81 CO 0.53 0.00 -0.63 -0.48 -0.00 0.00 0.00 178.31 177.72 2kku s LEU 82 N -5.50 1.67 0.00 2.10 2.34 -1.26 -4.84 118.68 113.19 2kku s LEU 82 Ca 0.02 -1.30 0.05 0.00 0.06 0.00 0.00 54.13 52.96 2kku s LEU 82 Cb 0.09 0.15 0.05 0.00 -0.56 0.00 0.00 46.19 45.92 2kku s LEU 82 CO 0.48 -0.72 0.39 1.07 -1.06 0.00 0.00 176.35 176.52 2kku n THR 83 N -0.28 0.00 0.26 5.48 5.66 -1.26 -4.99 114.28 119.14 2kku n THR 83 Ca -0.02 -2.14 0.10 0.00 -3.05 0.00 0.00 64.05 58.93 2kku n THR 83 Cb 0.65 -0.02 0.67 0.00 -1.55 0.00 0.00 70.33 70.08 2kku n THR 83 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2kku h LYS 84 N 0.00 0.00 -0.25 1.09 3.64 -1.98 -1.53 116.57 117.54 2kku h LYS 84 Ca -0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 2kku h LYS 84 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2kku h LYS 84 CO 0.54 0.09 0.12 -0.44 -2.27 0.00 0.00 179.45 177.48 2kku h ASP 85 N 0.00 0.33 0.44 4.20 3.32 -1.99 -0.28 116.42 122.44 2kku h ASP 85 Ca -0.00 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 2kku h ASP 85 Cb 0.17 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2kku h ASP 85 CO 0.01 0.36 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.16 2kku h GLU 86 N 0.27 0.00 -0.05 3.56 3.07 -1.73 -2.63 114.58 117.07 2kku h GLU 86 Ca 0.08 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2kku h GLU 86 Cb 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2kku h GLU 86 CO -0.01 0.40 -0.03 1.25 -1.40 0.00 0.00 179.01 179.22 2kku h LEU 87 N 0.00 0.11 -0.69 1.33 5.85 -1.12 -2.81 115.31 117.99 2kku h LEU 87 Ca -0.00 -0.44 -0.12 0.00 0.84 0.00 0.00 57.88 58.15 2kku h LEU 87 Cb 0.73 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2kku h LEU 87 CO 0.05 0.53 -0.32 0.07 -0.34 0.00 0.00 178.44 178.44 2kku h LYS 88 N -0.30 0.66 -0.37 1.25 5.09 -0.99 -0.66 116.57 121.24 2kku h LYS 88 Ca 0.01 -0.30 -0.09 0.00 0.09 0.00 0.00 60.65 60.36 2kku h LYS 88 Cb 0.49 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.79 2kku h LYS 88 CO 0.01 0.90 -0.15 1.05 -2.09 0.00 0.00 179.45 179.17 2kku h GLU 89 N 0.56 0.67 -0.17 0.07 4.11 -1.58 -0.81 114.58 117.44 2kku h GLU 89 Ca 0.06 -0.23 -0.03 0.00 0.07 0.00 0.00 59.36 59.24 2kku h GLU 89 Cb 0.82 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2kku h GLU 89 CO 0.07 0.79 0.00 -0.92 0.07 0.00 0.00 179.01 179.02 2kku h TYR 90 N 0.61 0.32 -0.26 2.06 3.20 -1.15 -0.17 116.97 121.58 2kku h TYR 90 Ca 0.10 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 2kku h TYR 90 Cb 0.60 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2kku h TYR 90 CO 0.03 0.50 -0.44 0.52 -1.64 0.00 0.00 178.16 177.13 2kku h MET 91 N 0.04 0.65 -0.60 1.82 2.86 -1.08 -2.72 114.93 115.90 2kku h MET 91 Ca 0.05 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.31 2kku h MET 91 Cb 0.37 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2kku h MET 91 CO 0.01 0.96 0.29 0.87 1.06 0.00 0.00 176.91 180.10 2kku h LYS 92 N 0.52 0.87 -0.13 1.72 1.79 -1.14 -2.93 116.57 117.27 2kku h LYS 92 Ca 0.04 -0.13 0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2kku h LYS 92 Cb 0.97 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 2kku h LYS 92 CO 0.09 0.70 0.10 1.03 -1.08 0.00 0.00 179.45 180.28 2kku h SER 93 N 0.82 0.00 0.15 0.86 0.87 -0.71 0.17 113.55 115.72 2kku h SER 93 Ca 0.21 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2kku h SER 93 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2kku h SER 93 CO -0.03 0.00 -0.07 1.56 -0.53 0.00 0.00 176.83 177.76 2kku h GLN 94 N 0.00 -0.19 -0.00 2.24 1.08 -1.36 -3.22 115.11 113.66 2kku h GLN 94 Ca 0.06 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2kku h GLN 94 Cb 0.25 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2kku h GLN 94 CO -0.00 0.25 -0.03 -0.85 -0.95 0.00 0.00 178.83 177.26 2kku n GLU 95 N -4.91 0.43 -0.05 1.46 -0.00 -0.74 -2.58 120.64 114.26 2kku n GLU 95 Ca -0.08 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.16 57.02 2kku n GLU 95 Cb 0.27 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 30.09 2kku n GLU 95 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2kku n ARG 96 N -1.25 1.29 0.00 3.44 1.85 -0.03 -4.44 116.66 117.52 2kku n ARG 96 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2kku n ARG 96 Cb 0.26 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 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 -2.36 0.00 0.00 2.89 5.03 -1.21 -5.05 117.44 116.74 2kku n TRP 97 Ca -0.16 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.37 2kku n TRP 97 Cb 0.78 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 31.06 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 2.63 -0.39 3.56 6.99 0.00 -1.18 -4.82 105.19 111.99 2kku n GLY 98 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2kku n GLY 98 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kku s ARG 99 N -0.27 3.98 0.47 1.61 1.70 -1.06 -4.97 118.95 120.41 2kku s ARG 99 Ca 0.00 -2.05 0.00 0.00 -0.47 0.00 0.00 55.73 53.21 2kku s ARG 99 Cb 0.00 -5.45 0.00 0.00 -0.57 0.00 0.00 34.95 28.94 2kku s ARG 99 CO 0.00 -2.17 0.70 1.03 -1.08 0.00 0.00 175.30 173.78 2kku s ARG 100 N 3.81 2.98 -0.17 3.89 0.52 -1.25 -3.53 118.95 125.22 2kku s ARG 100 Ca 0.52 -0.51 -0.01 0.00 -0.52 0.00 0.00 55.73 55.21 2kku s ARG 100 Cb 0.03 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.97 2kku s ARG 100 CO 0.06 -0.35 0.02 -2.13 0.02 0.00 0.00 175.30 172.92 2kku n ARG 101 N -2.14 -2.14 -3.15 3.54 0.63 -1.26 -5.00 116.66 107.13 2kku n ARG 101 Ca 0.02 1.90 0.05 0.00 -0.92 0.00 0.00 57.85 58.90 2kku n ARG 101 Cb 0.58 -3.51 -0.01 0.00 0.45 0.00 0.00 32.46 29.97 2kku n ARG 101 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2kku s GLU 102 N -0.92 0.33 0.00 -0.14 2.56 -1.26 -5.07 118.70 114.20 2kku s GLU 102 Ca -0.03 0.50 0.00 0.00 0.00 0.00 0.00 54.97 55.44 2kku s GLU 102 Cb 0.00 0.26 0.00 0.00 2.00 0.00 0.00 34.13 36.40 2kku s GLU 102 CO 0.46 -0.46 0.00 0.43 -0.56 0.00 0.00 175.26 175.13 2kku n SER 103 N 5.38 0.00 0.22 -1.70 7.64 -1.26 -4.98 113.62 118.92 2kku n SER 103 Ca -0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2kku n SER 103 Cb 0.54 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 2kku n SER 103 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2kku h LYS 104 N 0.00 -0.54 -6.15 1.43 6.56 -2.07 -3.45 116.57 112.34 2kku h LYS 104 Ca 0.00 0.04 -0.52 0.00 -1.06 0.00 0.00 60.65 59.11 2kku h LYS 104 Cb 0.00 0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 31.75 2kku h LYS 104 CO 0.00 -0.24 -0.50 0.21 -2.06 0.00 0.00 179.45 176.87 2kku s LYS 105 N -4.74 3.19 0.49 3.15 2.20 -1.26 -5.14 119.74 117.63 2kku s LYS 105 Ca -0.14 -0.81 0.04 0.00 -0.36 0.00 0.00 55.97 54.70 2kku s LYS 105 Cb 0.02 -2.78 0.04 0.00 -1.51 0.00 0.00 37.83 33.60 2kku s LYS 105 CO 0.52 0.46 0.31 0.36 -0.36 0.00 0.00 175.35 176.64 2kku n LYS 106 N -0.84 0.77 -4.17 4.03 0.00 -1.26 -5.06 118.16 111.63 2kku n LYS 106 Ca -0.08 -3.16 -0.17 0.00 -0.00 0.00 0.00 58.31 54.90 2kku n LYS 106 Cb 0.56 0.42 -0.11 0.00 -0.00 0.00 0.00 35.03 35.90 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 -3.99 0.83 0.03 -1.58 2.47 -1.26 -5.13 119.74 111.11 2kku s LYS 107 Ca 0.24 -1.03 -0.30 0.00 -1.56 0.00 0.00 55.97 53.31 2kku s LYS 107 Cb -0.02 -0.70 -0.06 0.00 -1.46 0.00 0.00 37.83 35.59 2kku s LYS 107 CO 0.15 0.14 1.33 -1.17 0.16 0.00 0.00 175.35 175.96 2kku s LEU 108 N -2.03 4.33 0.26 5.43 1.98 -1.26 -4.33 118.68 123.07 2kku s LEU 108 Ca 0.01 2.10 0.11 0.00 -2.89 0.00 0.00 54.13 53.46 2kku s LEU 108 Cb -0.07 -3.57 -0.05 0.00 0.66 0.00 0.00 46.19 43.16 2kku s LEU 108 CO 0.02 -0.64 -0.11 0.26 -1.89 0.00 0.00 176.35 173.98 2kku s TRP 109 N 1.82 2.48 -0.05 5.38 0.52 -0.75 -2.57 118.94 125.77 2kku s TRP 109 Ca 0.62 -0.28 -0.02 0.00 0.02 0.00 0.00 56.10 56.44 2kku s TRP 109 Cb -0.31 -1.11 0.03 0.00 -1.15 0.00 0.00 33.47 30.93 2kku s TRP 109 CO 0.27 0.65 0.11 0.00 0.02 0.00 0.00 176.95 178.00 2kku s MET 110 N -3.46 0.06 -0.48 4.98 0.23 0.12 -1.56 119.30 119.19 2kku s MET 110 Ca 0.30 0.31 -0.12 0.00 -1.03 0.00 0.00 55.69 55.15 2kku s MET 110 Cb -0.06 -0.19 0.11 0.00 -1.53 0.00 0.00 34.83 33.16 2kku s MET 110 CO 0.17 -0.16 0.37 0.00 -2.03 0.00 0.00 175.02 173.37 2kku s ALA 111 N 1.08 3.46 -0.23 3.16 0.00 -0.40 -1.04 121.76 127.79 2kku s ALA 111 Ca -0.09 -2.41 -0.27 0.00 0.00 0.00 0.00 51.96 49.19 2kku s ALA 111 Cb -0.11 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2kku s ALA 111 CO -0.05 -1.86 0.95 0.42 0.00 0.00 0.00 175.76 175.22 2kku s ILE 112 N 1.47 4.75 -0.77 0.00 1.01 -0.32 -1.25 121.20 126.09 2kku s ILE 112 Ca 0.04 1.83 -0.25 0.00 0.00 0.00 0.00 60.65 62.26 2kku s ILE 112 Cb -0.26 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 38.03 2kku s ILE 112 CO 0.02 -0.13 1.24 -0.70 0.00 0.00 0.00 174.94 175.36 2kku s GLU 113 N 3.03 3.24 0.02 2.79 2.12 -0.95 -1.39 118.70 127.55 2kku s GLU 113 Ca 0.40 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.93 2kku s GLU 113 Cb -0.15 -4.37 -0.04 0.00 0.26 0.00 0.00 34.13 29.83 2kku s GLU 113 CO 0.07 -2.08 0.91 -0.51 -0.54 0.00 0.00 175.26 173.10 2kku s LEU 114 N 5.22 4.40 0.07 2.70 2.01 0.76 -0.16 118.68 133.67 2kku s LEU 114 Ca 0.34 1.59 0.00 0.00 0.01 0.00 0.00 54.13 56.07 2kku s LEU 114 Cb -0.09 -3.46 -0.04 0.00 0.01 0.00 0.00 46.19 42.61 2kku s LEU 114 CO 0.10 -0.17 -0.04 -1.83 1.01 0.00 0.00 176.35 175.42 2kku s GLU 115 N 0.66 0.69 -1.35 1.70 4.04 -0.67 -0.63 118.70 123.14 2kku s GLU 115 Ca 0.47 -1.25 -0.02 0.00 0.04 0.00 0.00 54.97 54.21 2kku s GLU 115 Cb -0.21 0.06 0.01 0.00 0.02 0.00 0.00 34.13 34.01 2kku s GLU 115 CO 0.26 -0.08 0.73 -3.47 -1.84 0.00 0.00 175.26 170.87 2kku n ASP 116 N 0.09 -1.72 -4.56 0.83 2.03 -0.91 -1.66 116.55 110.64 2kku n ASP 116 Ca -0.14 -0.82 -0.40 0.00 0.52 0.00 0.00 54.79 53.96 2kku n ASP 116 Cb 0.61 -3.98 -0.03 0.00 -0.72 0.00 0.00 41.12 37.00 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 -3.63 3.47 0.37 5.18 1.01 -0.67 -4.46 120.40 121.68 2kku s VAL 117 Ca 0.11 0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 2kku s VAL 117 Cb -0.06 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 2kku s VAL 117 CO 0.82 -0.99 0.72 -0.75 0.00 0.00 0.00 175.10 174.90 2kku s LYS 118 N 6.52 3.78 -0.10 2.72 2.47 0.71 -4.81 119.74 131.03 2kku s LYS 118 Ca 0.63 0.41 -0.02 0.00 -1.56 0.00 0.00 55.97 55.43 2kku s LYS 118 Cb -0.13 -2.44 -0.03 0.00 -1.46 0.00 0.00 37.83 33.76 2kku s LYS 118 CO 0.22 0.04 -0.00 0.15 0.16 0.00 0.00 175.35 175.92 2kku s LYS 119 N -3.66 3.09 -1.08 4.03 -0.14 -1.26 -1.11 119.74 119.60 2kku s LYS 119 Ca 0.50 -0.42 -0.18 0.00 -1.36 0.00 0.00 55.97 54.51 2kku s LYS 119 Cb -0.10 -2.82 0.12 0.00 -1.68 0.00 0.00 37.83 33.35 2kku s LYS 119 CO 0.29 0.64 1.36 0.71 -0.76 0.00 0.00 175.35 177.59 2kku s TYR 120 N -0.70 3.06 0.27 3.18 2.02 -0.65 -4.81 117.35 119.72 2kku s TYR 120 Ca 0.11 -1.53 -0.04 0.00 -0.37 0.00 0.00 57.07 55.25 2kku s TYR 120 Cb -0.12 -4.44 0.37 0.00 -0.40 0.00 0.00 41.96 37.37 2kku s TYR 120 CO 0.02 -1.60 1.94 0.22 -1.57 0.00 0.00 175.55 174.56 2kku h ASP 121 N 8.37 1.05 -3.92 2.29 3.58 -1.93 -3.43 116.42 122.43 2kku h ASP 121 Ca 0.25 -0.02 -0.46 0.00 0.42 0.00 0.00 57.03 57.22 2kku h ASP 121 Cb 0.96 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2kku h ASP 121 CO 1.26 0.74 0.27 -1.59 -2.88 0.00 0.00 179.24 177.04 2kku s LYS 122 N -6.02 4.25 -0.30 0.28 -2.85 -1.26 -5.03 119.74 108.80 2kku s LYS 122 Ca -0.12 1.05 -0.29 0.00 -1.00 0.00 0.00 55.97 55.60 2kku s LYS 122 Cb 0.18 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.55 2kku s LYS 122 CO 0.81 0.10 1.31 -1.25 0.10 0.00 0.00 175.35 176.42 2kku s PRO 123 N -2.83 3.91 -0.12 1.78 0.04 -1.26 -5.02 135.00 131.51 2kku s PRO 123 Ca 0.57 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.86 2kku s PRO 123 Cb -0.12 -3.88 -0.02 0.00 0.04 0.00 0.00 34.50 30.53 2kku s PRO 123 CO 0.17 -1.13 -0.14 0.42 0.04 0.00 0.00 177.00 176.36 2kku s ILE 124 N 4.40 2.98 0.06 0.56 1.01 -1.26 -5.02 121.20 123.92 2kku s ILE 124 Ca 0.56 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 2kku s ILE 124 Cb -0.17 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 2kku s ILE 124 CO 0.23 0.54 0.32 -1.59 0.00 0.00 0.00 174.94 174.44 2kku s LYS 125 N 0.19 3.64 0.06 2.79 0.00 -1.26 -1.67 119.74 123.48 2kku s LYS 125 Ca -0.08 -0.02 -0.30 0.00 0.00 0.00 0.00 55.97 55.58 2kku s LYS 125 Cb -0.15 -3.01 -0.05 0.00 0.00 0.00 0.00 37.83 34.62 2kku s LYS 125 CO 0.05 0.59 0.95 -1.25 0.00 0.00 0.00 175.35 175.69 2kku s PRO 126 N -1.99 4.63 0.48 1.78 0.05 -1.26 -4.94 135.00 133.76 2kku s PRO 126 Ca 0.32 1.41 0.25 0.00 0.05 0.00 0.00 61.00 63.02 2kku s PRO 126 Cb -0.13 -3.41 1.24 0.00 0.05 0.00 0.00 34.50 32.25 2kku s PRO 126 CO 0.19 0.12 1.99 -0.22 0.05 0.00 0.00 177.00 179.12 2kku h LYS 127 N 6.04 0.00 -4.02 4.56 1.63 -2.01 -3.46 116.57 119.31 2kku h LYS 127 Ca -0.42 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.25 2kku h LYS 127 Cb 1.21 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.72 2kku h LYS 127 CO 0.73 0.18 -0.37 -0.98 -3.45 0.00 0.00 179.45 175.56 2kku s ARG 128 N -4.08 1.21 0.14 1.90 1.70 -1.26 -5.15 118.95 113.40 2kku s ARG 128 Ca -0.02 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 53.65 2kku s ARG 128 Cb 0.13 0.36 -0.06 0.00 -0.57 0.00 0.00 34.95 34.80 2kku s ARG 128 CO 0.62 -0.44 0.98 -0.48 -1.08 0.00 0.00 175.30 174.90 2kku s LEU 129 N -3.02 4.52 -0.35 -1.89 2.34 -1.26 -5.05 118.68 113.97 2kku s LEU 129 Ca 0.22 1.86 -0.02 0.00 0.06 0.00 0.00 54.13 56.25 2kku s LEU 129 Cb 0.04 -3.59 0.08 0.00 -0.56 0.00 0.00 46.19 42.15 2kku s LEU 129 CO 0.04 -0.06 0.10 -0.69 -1.06 0.00 0.00 176.35 174.68 2kku s VAL 130 N -0.20 3.12 0.48 1.48 1.01 -1.26 -4.90 120.40 120.12 2kku s VAL 130 Ca 0.46 -1.72 -0.08 0.00 0.00 0.00 0.00 61.98 60.64 2kku s VAL 130 Cb -0.25 -2.97 0.11 0.00 0.00 0.00 0.00 36.38 33.27 2kku s VAL 130 CO 0.31 -0.40 0.54 -0.81 0.00 0.00 0.00 175.10 174.75 2kku n PRO 131 N 4.60 -1.13 -0.04 2.72 -0.04 -1.26 -4.62 135.00 135.22 2kku n PRO 131 Ca -0.07 -0.85 0.02 0.00 -0.04 0.00 0.00 63.50 62.56 2kku n PRO 131 Cb 0.42 -0.65 0.35 0.00 -0.04 0.00 0.00 33.50 33.58 2kku n PRO 131 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kku h VAL 132 N -1.63 1.15 0.00 0.52 2.07 -2.00 -0.72 116.25 115.65 2kku h VAL 132 Ca -0.19 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 2kku h VAL 132 Cb 0.53 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2kku h VAL 132 CO 0.13 0.18 -0.18 1.23 0.02 0.00 0.00 177.57 178.94 2kku h GLY 133 N 0.73 0.00 0.00 2.17 0.00 -1.99 -3.47 103.07 100.51 2kku h GLY 133 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 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 -0.21 -1.42 3.45 4.60 0.00 -0.28 -4.96 105.19 106.37 2kku n GLY 134 Ca -0.01 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.26 1.61 -0.13 1.61 -1.52 -0.97 -4.65 119.66 113.35 2kku s GLN 135 Ca 0.00 -1.35 -0.20 0.00 -1.95 0.00 0.00 55.36 51.85 2kku s GLN 135 Cb 0.00 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.79 2kku s GLN 135 CO 0.00 0.44 0.59 0.71 -0.25 0.00 0.00 175.29 176.77 2kku s TYR 136 N -1.35 3.49 -0.28 0.91 2.02 -1.26 -1.17 117.35 119.71 2kku s TYR 136 Ca 0.18 1.00 -0.21 0.00 -0.37 0.00 0.00 57.07 57.68 2kku s TYR 136 Cb -0.09 -2.70 -0.01 0.00 -0.40 0.00 0.00 41.96 38.76 2kku s TYR 136 CO 0.09 0.05 0.67 -1.17 -1.57 0.00 0.00 175.55 173.62 2kku s LEU 137 N 1.04 4.10 -0.17 -1.29 0.20 -0.38 -4.90 118.68 117.28 2kku s LEU 137 Ca 0.30 0.61 -0.00 0.00 0.69 0.00 0.00 54.13 55.73 2kku s LEU 137 Cb -0.16 -2.90 0.04 0.00 -0.43 0.00 0.00 46.19 42.74 2kku s LEU 137 CO 0.13 -0.47 -0.07 0.00 -0.29 0.00 0.00 176.35 175.65 2kku s ARG 138 N 2.65 1.60 0.00 1.98 3.03 -1.26 -1.62 118.95 125.33 2kku s ARG 138 Ca 0.27 -0.60 0.25 0.00 2.03 0.00 0.00 55.73 57.68 2kku s ARG 138 Cb -0.15 -2.11 0.31 0.00 -1.03 0.00 0.00 34.95 31.97 2kku s ARG 138 CO 0.10 -0.43 1.33 -1.91 -1.13 0.00 0.00 175.30 173.26