#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 0.47 0.29 7.83 7.64 -1.26 -3.37 113.62 125.22 2kku n SER 2 Ca 0.00 0.56 0.15 0.00 1.01 0.00 0.00 58.87 60.59 2kku n SER 2 Cb 0.00 -0.68 0.88 0.00 -1.01 0.00 0.00 64.21 63.40 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 -3.49 116.57 114.60 2kku h LYS 3 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kku h LYS 3 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 2kku h LYS 3 CO 0.00 0.05 0.00 -0.89 -2.00 0.00 0.00 179.45 176.61 2kku n ILE 4 N -3.63 0.00 0.00 0.07 2.08 -1.22 -4.92 119.36 111.74 2kku n ILE 4 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2kku n ILE 4 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 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 -0.89 0.00 -2.66 1.39 0.24 -0.23 -2.93 118.33 113.24 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 0.00 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 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 0.20 1.76 3.21 7.63 0.00 -0.62 -1.28 105.19 116.09 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 -2.51 1.32 -0.06 1.61 0.11 -0.92 -0.96 120.40 118.99 2kku s VAL 7 Ca 0.00 -1.34 0.05 0.00 -2.93 0.00 0.00 61.98 57.76 2kku s VAL 7 Cb 0.00 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 2kku s VAL 7 CO 0.00 -0.13 -0.22 0.28 -3.33 0.00 0.00 175.10 171.70 2kku s THR 8 N -1.17 1.86 0.03 5.04 -1.32 -0.10 -1.64 115.64 118.34 2kku s THR 8 Ca 0.01 -0.95 0.05 0.00 -1.21 0.00 0.00 61.69 59.60 2kku s THR 8 Cb -0.10 -1.59 -0.02 0.00 -1.51 0.00 0.00 72.50 69.29 2kku s THR 8 CO 0.03 0.52 -0.16 -0.31 -2.21 0.00 0.00 174.62 172.49 2kku s TYR 9 N -0.02 1.41 0.50 9.09 1.51 -1.08 -1.22 117.35 127.53 2kku s TYR 9 Ca -0.06 -0.34 0.19 0.00 -1.01 0.00 0.00 57.07 55.84 2kku s TYR 9 Cb -0.14 -0.84 1.24 0.00 -0.11 0.00 0.00 41.96 42.11 2kku s TYR 9 CO 0.04 0.04 2.04 -1.35 -1.11 0.00 0.00 175.55 175.21 2kku h PRO 10 N 5.02 0.13 -2.46 -1.71 0.11 -1.82 -0.25 132.00 131.03 2kku h PRO 10 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2kku h PRO 10 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kku h PRO 10 CO 0.44 0.08 -0.58 -0.89 -0.21 0.00 0.00 178.00 176.85 2kku n ILE 11 N -4.45 -3.85 -1.63 4.15 2.08 -1.26 -3.43 119.36 110.96 2kku n ILE 11 Ca 0.06 1.59 -0.46 0.00 0.56 0.00 0.00 62.75 64.49 2kku n ILE 11 Cb 0.37 -2.42 -0.03 0.00 -0.75 0.00 0.00 39.64 36.81 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 -0.07 1.62 0.25 0.38 -0.04 -1.26 -4.70 135.00 131.17 2kku n PRO 12 Ca 0.00 0.57 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 2kku n PRO 12 Cb 0.00 -2.12 0.63 0.00 -0.04 0.00 0.00 33.50 31.97 2kku n PRO 12 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2kku h LYS 13 N 3.43 0.00 -0.46 0.54 2.10 -1.90 -1.08 116.57 119.19 2kku h LYS 13 Ca -0.44 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.13 2kku h LYS 13 Cb 1.31 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.62 2kku h LYS 13 CO 0.70 0.17 -0.07 0.00 -2.00 0.00 0.00 179.45 178.26 2kku h ARG 14 N 0.00 0.80 -0.18 0.07 3.08 -1.97 -3.35 114.38 112.84 2kku h ARG 14 Ca -0.00 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2kku h ARG 14 Cb 0.44 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2kku h ARG 14 CO 0.02 0.85 0.00 1.19 -1.07 0.00 0.00 179.97 180.96 2kku n PHE 15 N -4.18 0.35 -0.30 3.04 3.72 -0.47 -4.62 117.46 115.00 2kku n PHE 15 Ca 0.02 -0.64 -0.04 0.00 -0.05 0.00 0.00 57.45 56.73 2kku n PHE 15 Cb 0.34 -0.11 0.07 0.00 -0.94 0.00 0.00 39.48 38.85 2kku n PHE 15 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2kku h MET 16 N 1.09 1.10 0.00 -1.08 4.05 -1.52 -3.00 114.93 115.57 2kku h MET 16 Ca 0.00 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 2kku h MET 16 Cb 0.84 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 2kku h MET 16 CO 0.04 0.77 0.00 0.38 0.23 0.00 0.00 176.91 178.33 2kku h ASP 17 N 1.12 0.00 -0.47 1.39 2.03 -1.87 -3.37 116.42 115.24 2kku h ASP 17 Ca 0.29 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 56.68 2kku h ASP 17 Cb -0.05 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.37 2kku h ASP 17 CO -0.06 0.00 0.01 0.03 -1.03 0.00 0.00 179.24 178.20 2kku h ARG 18 N 0.00 0.13 -0.01 4.15 2.47 -1.84 0.30 114.38 119.58 2kku h ARG 18 Ca 0.00 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2kku h ARG 18 Cb 0.92 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 2kku h ARG 18 CO 0.00 0.08 -0.31 0.74 0.56 0.00 0.00 179.97 181.05 2kku h PHE 19 N 0.13 0.01 0.00 3.04 -1.00 -1.77 -2.53 116.94 114.82 2kku h PHE 19 Ca 0.24 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2kku h PHE 19 Cb 0.35 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2kku h PHE 19 CO -0.29 0.32 -0.86 1.19 -1.61 0.00 0.00 178.31 177.06 2kku n PHE 20 N -4.17 0.12 -0.05 -0.55 3.72 -0.42 -1.63 117.46 114.47 2kku n PHE 20 Ca -0.02 0.03 -0.11 0.00 -0.05 0.00 0.00 57.45 57.30 2kku n PHE 20 Cb 0.35 -0.28 -0.10 0.00 -0.94 0.00 0.00 39.48 38.52 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 -0.02 0.00 -1.08 3.11 -0.03 -3.39 116.57 115.16 2kku h LYS 21 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2kku h LYS 21 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 2kku h LYS 21 CO 0.00 0.72 -1.60 0.36 -2.81 0.00 0.00 179.45 176.12 2kku n LYS 22 N -4.69 0.60 -1.01 1.90 2.85 -1.08 -4.99 118.16 111.74 2kku n LYS 22 Ca -0.08 -0.12 -0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2kku n LYS 22 Cb 0.36 -1.46 -0.00 0.00 -0.65 0.00 0.00 35.03 33.28 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 1.40 0.27 3.13 2.58 0.00 -0.65 -4.90 105.19 107.01 2kku n GLY 23 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.09 0.62 0.36 1.61 -2.85 -1.25 -3.37 119.74 113.77 2kku s LYS 24 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 55.97 54.97 2kku s LYS 24 Cb 0.00 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.88 2kku s LYS 24 CO 0.00 -0.96 0.08 -3.47 0.10 0.00 0.00 175.35 171.10 2kku n ASP 25 N 4.58 1.79 -3.65 0.03 2.03 -0.29 -4.83 116.55 116.22 2kku n ASP 25 Ca 0.09 -2.77 -0.19 0.00 0.52 0.00 0.00 54.79 52.43 2kku n ASP 25 Cb 0.57 0.67 -0.17 0.00 -0.72 0.00 0.00 41.12 41.47 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 -2.69 -0.18 -0.35 5.18 1.01 0.18 -0.51 120.40 123.03 2kku s VAL 26 Ca 0.12 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 2kku s VAL 26 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 2kku s VAL 26 CO 0.08 0.08 0.25 0.12 0.00 0.00 0.00 175.10 175.63 2kku s PHE 27 N 2.23 3.23 0.03 5.22 5.36 -0.39 -1.19 117.98 132.47 2kku s PHE 27 Ca 0.04 -0.33 -0.14 0.00 -0.96 0.00 0.00 56.93 55.54 2kku s PHE 27 Cb -0.13 -2.49 -0.06 0.00 -0.34 0.00 0.00 43.02 40.00 2kku s PHE 27 CO -0.06 -0.42 0.43 0.14 -1.46 0.00 0.00 175.22 173.85 2kku s VAL 28 N 1.70 5.01 -0.07 3.12 -7.23 -1.26 -1.41 120.40 120.26 2kku s VAL 28 Ca 0.06 0.80 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 2kku s VAL 28 Cb -0.18 -3.71 0.02 0.00 0.56 0.00 0.00 36.38 33.07 2kku s VAL 28 CO 0.10 0.51 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.80 2kku s LYS 29 N -1.27 1.19 -1.21 4.82 -0.14 -0.41 -4.98 119.74 117.75 2kku s LYS 29 Ca 0.26 -0.18 -0.17 0.00 -1.36 0.00 0.00 55.97 54.52 2kku s LYS 29 Cb -0.16 -1.21 -0.03 0.00 -1.68 0.00 0.00 37.83 34.75 2kku s LYS 29 CO 0.15 -0.15 2.08 -0.35 -0.76 0.00 0.00 175.35 176.32 2kku n PRO 30 N 4.43 2.39 -1.83 -1.68 -0.04 -1.26 -0.91 135.00 136.11 2kku n PRO 30 Ca -0.18 -2.41 -0.15 0.00 -0.04 0.00 0.00 63.50 60.72 2kku n PRO 30 Cb 0.51 -3.21 -0.04 0.00 -0.04 0.00 0.00 33.50 30.72 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 7.09 -0.42 -0.03 0.55 0.00 -0.37 -4.87 120.51 122.46 2kku n ALA 31 Ca 0.51 0.20 -0.14 0.00 0.00 0.00 0.00 53.44 54.01 2kku n ALA 31 Cb 0.40 -1.62 -0.11 0.00 0.00 0.00 0.00 19.45 18.13 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 1.51 -4.05 0.00 2.02 -1.88 -3.45 112.91 107.05 2kku h THR 32 Ca -0.33 -1.59 -0.48 0.00 0.77 0.00 0.00 66.41 64.79 2kku h THR 32 Cb 1.09 2.53 0.03 0.00 -1.74 0.00 0.00 68.15 70.06 2kku h THR 32 CO 0.44 0.42 0.40 0.68 0.37 0.00 0.00 175.52 177.83 2kku s VAL 33 N -3.59 3.67 1.15 3.16 -7.23 -1.26 -5.07 120.40 111.23 2kku s VAL 33 Ca -0.16 1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 60.90 2kku s VAL 33 Cb 0.01 -3.46 0.27 0.00 0.56 0.00 0.00 36.38 33.76 2kku s VAL 33 CO 0.70 -0.18 1.20 0.26 -0.31 0.00 0.00 175.10 176.76 2kku s TRP 34 N -1.88 0.61 -1.22 2.82 0.52 -1.26 -4.94 118.94 113.59 2kku s TRP 34 Ca 0.66 0.35 0.11 0.00 0.02 0.00 0.00 56.10 57.24 2kku s TRP 34 Cb -0.19 -3.75 0.49 0.00 -1.15 0.00 0.00 33.47 28.88 2kku s TRP 34 CO 0.23 -3.60 1.28 1.17 0.02 0.00 0.00 176.95 176.04 2kku n LYS 35 N -4.50 0.08 0.29 4.98 4.81 -1.26 -2.87 118.16 119.69 2kku n LYS 35 Ca 0.15 0.25 0.14 0.00 -0.87 0.00 0.00 58.31 57.99 2kku n LYS 35 Cb 0.60 -1.50 0.88 0.00 0.02 0.00 0.00 35.03 35.02 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kku h GLU 36 N 0.00 0.00 -5.62 1.64 4.39 -2.01 -3.38 114.58 109.59 2kku h GLU 36 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2kku h GLU 36 Cb 0.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2kku h GLU 36 CO 0.00 0.02 0.74 -0.51 -1.16 0.00 0.00 179.01 178.10 2kku s LEU 37 N -7.69 3.12 0.09 1.33 2.01 -1.14 -4.97 118.68 111.44 2kku s LEU 37 Ca -0.05 -0.01 0.07 0.00 0.01 0.00 0.00 54.13 54.15 2kku s LEU 37 Cb 0.15 -2.54 -0.04 0.00 0.01 0.00 0.00 46.19 43.77 2kku s LEU 37 CO 0.56 -3.08 -0.11 -1.59 1.01 0.00 0.00 176.35 173.14 2kku s LYS 38 N 7.82 2.12 -0.66 1.70 0.00 -1.26 -5.06 119.74 124.41 2kku s LYS 38 Ca 0.81 -1.01 -0.27 0.00 0.00 0.00 0.00 55.97 55.50 2kku s LYS 38 Cb -0.11 -2.30 -0.01 0.00 0.00 0.00 0.00 37.83 35.41 2kku s LYS 38 CO 0.10 0.51 1.73 -1.25 0.00 0.00 0.00 175.35 176.44 2kku s PRO 39 N -2.10 2.76 0.00 1.78 0.04 -1.26 -2.96 135.00 133.26 2kku s PRO 39 Ca 0.20 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2kku s PRO 39 Cb -0.11 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2kku s PRO 39 CO 0.12 -2.62 0.00 0.41 0.04 0.00 0.00 177.00 174.96 2kku n GLY 40 N 5.68 -0.41 0.19 0.56 0.00 0.61 -4.84 105.19 106.99 2kku n GLY 40 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 0.10 -4.33 1.61 2.81 -1.06 -4.86 117.12 111.38 2kku n MET 41 Ca 0.00 -0.11 -0.24 0.00 -1.81 0.00 0.00 57.70 55.54 2kku n MET 41 Cb 0.00 -0.06 -0.08 0.00 -0.71 0.00 0.00 33.22 32.37 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 -2.98 2.09 -0.29 0.03 -2.85 -0.40 -0.70 119.74 114.63 2kku s LYS 42 Ca 0.04 -1.64 -0.02 0.00 -1.00 0.00 0.00 55.97 53.35 2kku s LYS 42 Cb -0.00 -1.99 0.10 0.00 -2.06 0.00 0.00 37.83 33.88 2kku s LYS 42 CO 0.03 0.24 0.10 0.12 0.10 0.00 0.00 175.35 175.94 2kku s PHE 43 N -2.45 1.14 -0.25 1.78 2.19 -0.21 -2.17 117.98 118.01 2kku s PHE 43 Ca 0.33 -1.34 -0.26 0.00 0.33 0.00 0.00 56.93 56.00 2kku s PHE 43 Cb -0.03 -1.35 0.00 0.00 -1.31 0.00 0.00 43.02 40.33 2kku s PHE 43 CO 0.19 -0.83 0.88 0.08 1.83 0.00 0.00 175.22 177.37 2kku s VAL 44 N 1.82 4.78 -0.39 3.12 1.01 -0.66 -0.58 120.40 129.51 2kku s VAL 44 Ca 0.08 1.63 -0.24 0.00 0.00 0.00 0.00 61.98 63.45 2kku s VAL 44 Cb -0.17 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.05 2kku s VAL 44 CO -0.28 -0.14 0.86 -0.36 0.00 0.00 0.00 175.10 175.18 2kku s PHE 45 N 2.98 3.06 0.43 5.22 0.08 0.18 -2.63 117.98 127.30 2kku s PHE 45 Ca 0.37 0.58 -0.24 0.00 0.12 0.00 0.00 56.93 57.77 2kku s PHE 45 Cb -0.15 -3.59 -0.08 0.00 -0.57 0.00 0.00 43.02 38.63 2kku s PHE 45 CO 0.08 -0.84 1.12 -0.47 -0.10 0.00 0.00 175.22 175.01 2kku s TYR 46 N 3.35 3.06 -0.38 0.36 5.04 -0.11 -1.41 117.35 127.26 2kku s TYR 46 Ca 0.35 1.58 -0.28 0.00 -2.44 0.00 0.00 57.07 56.28 2kku s TYR 46 Cb -0.12 -3.27 -0.03 0.00 0.35 0.00 0.00 41.96 38.89 2kku s TYR 46 CO 0.19 -1.11 1.92 -1.14 -1.34 0.00 0.00 175.55 174.08 2kku s GLN 47 N -2.57 3.07 -1.14 4.97 0.74 -1.26 -4.51 119.66 118.95 2kku s GLN 47 Ca 0.60 1.36 -0.20 0.00 0.05 0.00 0.00 55.36 57.18 2kku s GLN 47 Cb -0.26 -4.29 -0.05 0.00 1.10 0.00 0.00 33.01 29.51 2kku s GLN 47 CO 0.32 -2.18 1.94 0.45 -0.55 0.00 0.00 175.29 175.27 2kku n SER 48 N 11.44 3.47 0.00 6.67 2.88 -1.22 -1.74 113.62 135.12 2kku n SER 48 Ca 0.25 -2.77 0.00 0.00 -1.33 0.00 0.00 58.87 55.02 2kku n SER 48 Cb 0.48 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 2kku n SER 48 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kku n HIS 49 N 9.46 0.00 -2.34 0.66 -0.00 -1.26 -4.87 115.22 116.87 2kku n HIS 49 Ca 0.49 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 58.01 2kku n HIS 49 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.41 2kku n HIS 49 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2kku n GLU 50 N -0.33 -1.58 0.03 -0.41 1.02 -0.71 -4.93 120.64 113.73 2kku n GLU 50 Ca 0.00 0.98 -0.13 0.00 -0.02 0.00 0.00 57.16 57.99 2kku n GLU 50 Cb 0.00 -5.57 -0.09 0.00 -0.02 0.00 0.00 31.44 25.76 2kku n GLU 50 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2kku h ASP 51 N 0.00 -0.09 0.00 1.62 1.82 -1.96 -3.44 116.42 114.37 2kku h ASP 51 Ca -0.47 -0.41 0.00 0.00 -0.39 0.00 0.00 57.03 55.76 2kku h ASP 51 Cb 1.35 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2kku h ASP 51 CO 0.56 0.38 -0.00 1.07 -1.61 0.00 0.00 179.24 179.64 2kku n THR 52 N -4.92 0.00 0.00 2.25 5.66 -1.26 -5.16 114.28 110.85 2kku n THR 52 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2kku n THR 52 Cb 0.25 -0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 2kku n THR 52 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kku n GLY 53 N 1.28 3.94 1.36 1.09 0.00 -1.26 -4.72 105.19 106.89 2kku n GLY 53 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2kku n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kku n PHE 54 N -0.16 -3.75 0.00 1.61 3.72 -1.26 -4.05 117.46 113.56 2kku n PHE 54 Ca 0.00 2.00 0.00 0.00 -0.05 0.00 0.00 57.45 59.40 2kku n PHE 54 Cb 0.00 -3.16 0.00 0.00 -0.94 0.00 0.00 39.48 35.38 2kku n PHE 54 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2kku n VAL 55 N -0.83 0.00 -3.60 -4.37 3.14 -0.50 -4.31 118.33 107.86 2kku n VAL 55 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2kku n VAL 55 Cb 0.00 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.13 2kku n VAL 55 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kku n GLY 56 N 2.39 0.74 3.45 7.55 0.00 -1.09 -1.76 105.19 116.48 2kku n GLY 56 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.25 1.83 0.09 1.61 -1.05 -0.20 -0.65 118.70 119.08 2kku s GLU 57 Ca 0.00 -1.76 -0.04 0.00 -0.15 0.00 0.00 54.97 53.02 2kku s GLU 57 Cb 0.00 0.42 0.01 0.00 -0.44 0.00 0.00 34.13 34.12 2kku s GLU 57 CO 0.00 -0.74 0.20 0.00 0.95 0.00 0.00 175.26 175.66 2kku n ALA 58 N -0.55 -0.44 -4.03 -0.84 0.00 0.25 -0.42 120.51 114.48 2kku n ALA 58 Ca 0.02 -0.30 -0.31 0.00 0.00 0.00 0.00 53.44 52.85 2kku n ALA 58 Cb 0.62 0.24 -0.16 0.00 0.00 0.00 0.00 19.45 20.15 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 2.37 0.09 0.00 1.81 0.05 -1.04 118.95 120.20 2kku s ARG 59 Ca 0.04 -0.67 -0.31 0.00 -1.72 0.00 0.00 55.73 53.07 2kku s ARG 59 Cb -0.01 -2.26 -0.07 0.00 -0.45 0.00 0.00 34.95 32.15 2kku s ARG 59 CO 0.03 -0.27 1.37 0.42 -0.68 0.00 0.00 175.30 176.16 2kku s ILE 60 N 1.43 3.46 0.10 1.52 1.01 0.12 -1.81 121.20 127.03 2kku s ILE 60 Ca 0.04 1.03 0.01 0.00 0.00 0.00 0.00 60.65 61.73 2kku s ILE 60 Cb -0.14 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 2kku s ILE 60 CO -0.11 0.07 0.05 0.29 0.00 0.00 0.00 174.94 175.25 2kku n LYS 61 N 4.16 0.55 -0.79 2.79 4.76 0.66 -0.28 118.16 130.01 2kku n LYS 61 Ca 0.11 -0.90 -0.37 0.00 -2.87 0.00 0.00 58.31 54.28 2kku n LYS 61 Cb 0.43 0.59 -0.07 0.00 -1.84 0.00 0.00 35.03 34.13 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 -0.21 0.00 -3.11 1.97 1.85 -1.26 -2.75 116.66 113.14 2kku n ARG 62 Ca -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 2kku n ARG 62 Cb 0.16 -0.92 -0.06 0.00 -1.05 0.00 0.00 32.46 30.58 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 3.56 4.94 -0.47 8.89 -7.23 -1.26 -3.20 120.40 125.63 2kku s VAL 63 Ca 0.73 0.88 -0.22 0.00 -1.81 0.00 0.00 61.98 61.56 2kku s VAL 63 Cb -0.92 -3.99 0.03 0.00 0.56 0.00 0.00 36.38 32.06 2kku s VAL 63 CO 0.41 -0.13 0.72 -0.69 -0.31 0.00 0.00 175.10 175.11 2kku s VAL 64 N 2.60 4.72 -0.27 1.32 1.01 -0.43 -4.85 120.40 124.50 2kku s VAL 64 Ca 0.25 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 2kku s VAL 64 Cb -0.15 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2kku s VAL 64 CO 0.11 -0.73 0.78 -0.76 0.00 0.00 0.00 175.10 174.50 2kku s LEU 65 N 3.09 4.08 -0.18 3.92 1.43 -1.26 -1.09 118.68 128.67 2kku s LEU 65 Ca 0.25 0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.06 2kku s LEU 65 Cb -0.14 -3.08 0.05 0.00 0.03 0.00 0.00 46.19 43.05 2kku s LEU 65 CO 0.19 -0.52 0.45 -0.55 0.23 0.00 0.00 176.35 176.15 2kku s SER 66 N 1.47 -0.53 0.11 2.29 0.15 -0.41 -5.02 113.70 111.75 2kku s SER 66 Ca 0.32 0.95 0.17 0.00 0.70 0.00 0.00 55.95 58.10 2kku s SER 66 Cb -0.15 0.89 0.73 0.00 -1.71 0.00 0.00 66.02 65.78 2kku s SER 66 CO 0.09 -0.18 1.53 -0.62 1.20 0.00 0.00 173.24 175.26 2kku n GLU 67 N 3.66 0.08 -3.64 5.44 1.02 -1.26 -1.31 120.64 124.61 2kku n GLU 67 Ca -0.19 0.34 -0.38 0.00 -0.02 0.00 0.00 57.16 56.91 2kku n GLU 67 Cb 0.56 -1.65 -0.12 0.00 -0.02 0.00 0.00 31.44 30.21 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 -3.49 5.63 0.01 1.62 0.01 -1.26 -4.45 114.94 113.01 2kku s ASN 68 Ca 0.05 -0.35 0.20 0.00 -0.71 0.00 0.00 52.86 52.06 2kku s ASN 68 Cb 0.09 -2.03 0.87 0.00 0.41 0.00 0.00 41.25 40.59 2kku s ASN 68 CO 0.29 -0.14 1.65 -0.81 -1.51 0.00 0.00 177.10 176.59 2kku n PRO 69 N 5.00 0.01 0.15 -0.60 -0.04 -1.26 -3.31 135.00 134.95 2kku n PRO 69 Ca -0.14 0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.51 2kku n PRO 69 Cb 0.50 -1.52 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 2kku n PRO 69 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2kku h MET 70 N 0.00 0.00 0.00 0.54 2.86 -1.95 -3.02 114.93 113.36 2kku h MET 70 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2kku h MET 70 Cb 0.36 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2kku h MET 70 CO 0.00 0.48 -0.08 1.96 1.06 0.00 0.00 176.91 180.33 2kku h GLN 71 N 0.00 0.00 0.00 1.72 4.20 -1.97 -1.91 115.11 117.15 2kku h GLN 71 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2kku h GLN 71 Cb 1.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 2kku h GLN 71 CO 0.06 0.08 -0.28 0.74 -0.67 0.00 0.00 178.83 178.77 2kku h PHE 72 N 0.00 0.00 0.05 2.96 0.04 -1.71 -2.56 116.94 115.72 2kku h PHE 72 Ca -0.00 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 2kku h PHE 72 Cb 0.50 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 2kku h PHE 72 CO 0.00 0.28 -1.46 0.74 -0.60 0.00 0.00 178.31 177.27 2kku h PHE 73 N 0.00 0.18 -0.00 -0.55 0.04 -1.45 -0.05 116.94 115.11 2kku h PHE 73 Ca -0.00 -0.13 -0.17 0.00 2.80 0.00 0.00 57.97 60.47 2kku h PHE 73 Cb 0.99 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.11 2kku h PHE 73 CO 0.00 1.16 -0.78 1.05 -0.60 0.00 0.00 178.31 179.15 2kku h GLU 74 N 0.03 0.06 0.04 1.51 4.11 -1.53 -2.62 114.58 116.17 2kku h GLU 74 Ca -0.20 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.17 2kku h GLU 74 Cb 1.95 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.21 2kku h GLU 74 CO 0.12 0.80 -0.02 1.15 0.07 0.00 0.00 179.01 181.14 2kku h THR 75 N 0.04 0.29 0.00 -1.06 2.02 -1.55 -3.45 112.91 109.20 2kku h THR 75 Ca -0.02 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2kku h THR 75 Cb 1.36 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2kku h THR 75 CO 0.11 0.10 -0.22 0.49 0.37 0.00 0.00 175.52 176.36 2kku n PHE 76 N -4.79 0.00 0.00 3.16 3.72 -0.10 -5.01 117.46 114.44 2kku n PHE 76 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2kku n PHE 76 Cb 0.09 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 1.65 1.80 0.17 1.37 0.00 -0.76 -3.75 105.19 105.66 2kku n GLY 77 Ca -0.03 0.19 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 0.34 0.10 1.61 3.58 -1.91 -2.94 116.42 117.20 2kku h ASP 78 Ca 0.00 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 2kku h ASP 78 Cb 0.00 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 2kku h ASP 78 CO 0.00 0.25 -0.11 0.03 -2.88 0.00 0.00 179.24 176.53 2kku h ARG 79 N 0.44 0.03 -6.74 0.28 2.47 -1.88 -3.42 114.38 105.55 2kku h ARG 79 Ca 0.16 -0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.35 2kku h ARG 79 Cb 0.03 -0.00 0.05 0.00 -1.65 0.00 0.00 29.97 28.39 2kku h ARG 79 CO -0.09 0.14 0.67 0.08 0.56 0.00 0.00 179.97 181.33 2kku s VAL 80 N -4.80 2.97 0.55 2.04 1.01 -1.11 0.47 120.40 121.53 2kku s VAL 80 Ca -0.04 0.85 0.24 0.00 0.00 0.00 0.00 61.98 63.02 2kku s VAL 80 Cb 0.16 -3.54 0.35 0.00 0.00 0.00 0.00 36.38 33.35 2kku s VAL 80 CO 0.69 0.15 2.08 2.19 0.00 0.00 0.00 175.10 180.21 2kku h PHE 81 N 4.79 0.00 -3.21 5.22 -0.00 -1.41 -3.41 116.94 118.92 2kku h PHE 81 Ca -0.46 0.00 -0.56 0.00 -0.00 0.00 0.00 57.97 56.95 2kku h PHE 81 Cb 1.22 0.00 -0.18 0.00 -0.00 0.00 0.00 35.95 36.99 2kku h PHE 81 CO 0.60 0.00 -0.79 -0.48 -0.00 0.00 0.00 178.31 177.64 2kku s LEU 82 N -8.45 2.45 0.71 2.10 2.34 -1.26 -4.82 118.68 111.74 2kku s LEU 82 Ca -0.05 -0.87 -0.01 0.00 0.06 0.00 0.00 54.13 53.25 2kku s LEU 82 Cb 0.17 -0.93 0.12 0.00 -0.56 0.00 0.00 46.19 45.00 2kku s LEU 82 CO 0.65 0.01 0.99 0.28 -1.06 0.00 0.00 176.35 177.21 2kku s THR 83 N -1.99 2.18 0.35 5.48 -1.32 -1.26 -4.90 115.64 114.17 2kku s THR 83 Ca 0.18 -0.57 0.05 0.00 -1.21 0.00 0.00 61.69 60.13 2kku s THR 83 Cb -0.06 -2.60 0.17 0.00 -1.51 0.00 0.00 72.50 68.50 2kku s THR 83 CO 0.08 0.00 1.90 0.50 -2.21 0.00 0.00 174.62 174.89 2kku h LYS 84 N -0.51 0.53 -0.48 7.08 3.64 -1.98 -0.85 116.57 123.99 2kku h LYS 84 Ca -0.37 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2kku h LYS 84 Cb 1.27 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2kku h LYS 84 CO 0.42 0.53 0.27 -0.44 -2.27 0.00 0.00 179.45 177.95 2kku h ASP 85 N 0.51 0.60 -0.20 4.20 3.32 -1.99 -0.96 116.42 121.90 2kku h ASP 85 Ca 0.12 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 2kku h ASP 85 Cb 0.27 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2kku h ASP 85 CO 0.00 0.51 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.57 2kku h GLU 86 N 0.64 0.59 -0.10 3.56 4.39 -1.77 -2.62 114.58 119.28 2kku h GLU 86 Ca 0.17 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2kku h GLU 86 Cb 0.04 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2kku h GLU 86 CO -0.03 0.71 -0.04 1.25 -1.16 0.00 0.00 179.01 179.74 2kku h LEU 87 N 0.54 0.21 -0.84 1.33 5.85 -0.93 -2.62 115.31 118.86 2kku h LEU 87 Ca 0.10 -0.41 -0.11 0.00 0.84 0.00 0.00 57.88 58.30 2kku h LEU 87 Cb 0.55 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2kku h LEU 87 CO 0.03 0.57 -0.27 0.07 -0.34 0.00 0.00 178.44 178.51 2kku h LYS 88 N -0.15 0.56 -0.05 1.25 5.09 -1.12 -0.27 116.57 121.88 2kku h LYS 88 Ca 0.02 -0.23 -0.13 0.00 0.09 0.00 0.00 60.65 60.41 2kku h LYS 88 Cb 0.49 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.78 2kku h LYS 88 CO 0.01 0.78 -0.56 1.05 -2.09 0.00 0.00 179.45 178.64 2kku h GLU 89 N 0.49 0.16 -0.31 0.07 4.11 -1.55 0.19 114.58 117.73 2kku h GLU 89 Ca 0.07 -0.10 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 2kku h GLU 89 Cb 0.72 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2kku h GLU 89 CO 0.06 0.67 -0.01 -0.92 0.07 0.00 0.00 179.01 178.88 2kku h TYR 90 N 0.12 0.61 0.03 2.06 3.20 -0.99 -1.17 116.97 120.82 2kku h TYR 90 Ca -0.00 -0.11 -0.22 0.00 3.14 0.00 0.00 58.73 61.54 2kku h TYR 90 Cb 1.02 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 2kku h TYR 90 CO 0.01 0.69 -0.97 0.52 -1.64 0.00 0.00 178.16 176.77 2kku h MET 91 N 0.35 0.29 -0.39 1.82 2.86 -1.01 -3.00 114.93 115.86 2kku h MET 91 Ca 0.09 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.32 2kku h MET 91 Cb 0.45 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 2kku h MET 91 CO 0.02 1.07 0.00 0.87 1.06 0.00 0.00 176.91 179.93 2kku h LYS 92 N 0.15 0.62 -0.60 1.72 1.79 -1.00 -2.86 116.57 116.39 2kku h LYS 92 Ca -0.07 -0.14 0.06 0.00 -2.18 0.00 0.00 60.65 58.31 2kku h LYS 92 Cb 1.63 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 32.14 2kku h LYS 92 CO 0.16 0.64 0.31 1.03 -1.08 0.00 0.00 179.45 180.51 2kku h SER 93 N 0.59 0.45 0.37 0.86 0.87 -1.07 0.11 113.55 115.74 2kku h SER 93 Ca 0.12 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2kku h SER 93 Cb 0.37 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2kku h SER 93 CO 0.01 0.29 -0.25 1.56 -0.53 0.00 0.00 176.83 177.92 2kku h GLN 94 N 0.59 0.00 0.00 2.24 1.08 -1.43 -2.43 115.11 115.15 2kku h GLN 94 Ca 0.27 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.39 2kku h GLN 94 Cb 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 2kku h GLN 94 CO -0.18 0.25 -2.01 -0.85 -0.95 0.00 0.00 178.83 175.08 2kku n GLU 95 N -3.95 0.69 0.04 1.46 -0.00 -1.02 -3.58 120.64 114.27 2kku n GLU 95 Ca -0.02 -0.14 -0.12 0.00 -0.00 0.00 0.00 57.16 56.88 2kku n GLU 95 Cb 0.32 -1.48 -0.14 0.00 -0.00 0.00 0.00 31.44 30.15 2kku n GLU 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 2kku h ARG 96 N 0.00 0.12 -0.00 3.44 0.11 -0.89 -3.28 114.38 113.87 2kku h ARG 96 Ca -0.12 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.76 2kku h ARG 96 Cb 1.21 0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2kku h ARG 96 CO 0.01 0.93 -0.03 0.91 0.10 0.00 0.00 179.97 181.89 2kku n TRP 97 N -3.32 0.00 0.00 4.08 7.02 -0.92 -4.96 117.44 119.33 2kku n TRP 97 Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 2kku n TRP 97 Cb 1.02 -0.34 0.00 0.00 -2.42 0.00 0.00 31.31 29.56 2kku n TRP 97 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kku n GLY 98 N 1.36 -1.44 2.96 6.99 0.00 -1.24 -5.09 105.19 108.74 2kku n GLY 98 Ca 0.12 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.56 2kku n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kku n ARG 99 N 0.00 -2.30 0.15 1.61 3.00 -1.23 -4.73 116.66 113.16 2kku n ARG 99 Ca 0.00 2.00 0.00 0.00 -0.00 0.00 0.00 57.85 59.86 2kku n ARG 99 Cb 0.00 -5.10 0.20 0.00 0.00 0.00 0.00 32.46 27.56 2kku n ARG 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kku h ARG 100 N 1.98 0.00 -6.51 -0.14 2.47 -1.95 -3.43 114.38 106.80 2kku h ARG 100 Ca -0.09 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.10 2kku h ARG 100 Cb 1.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 2kku h ARG 100 CO 0.21 0.57 0.42 1.03 0.56 0.00 0.00 179.97 182.75 2kku s ARG 101 N -3.53 4.59 0.43 0.04 0.52 -1.26 -4.95 118.95 114.78 2kku s ARG 101 Ca -0.01 1.54 0.16 0.00 -0.52 0.00 0.00 55.73 56.90 2kku s ARG 101 Cb 0.12 -3.38 0.97 0.00 0.52 0.00 0.00 34.95 33.17 2kku s ARG 101 CO 0.74 0.02 1.94 0.93 0.02 0.00 0.00 175.30 178.96 2kku h GLU 102 N 6.13 0.00 -5.35 3.54 3.07 -2.02 -3.47 114.58 116.48 2kku h GLU 102 Ca -0.42 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.13 2kku h GLU 102 Cb 1.21 0.00 0.16 0.00 -0.84 0.00 0.00 28.75 29.28 2kku h GLU 102 CO 0.75 0.24 -0.70 0.43 -1.40 0.00 0.00 179.01 178.32 2kku n SER 103 N -4.11 -2.12 0.05 1.42 7.64 -1.26 -4.93 113.62 110.31 2kku n SER 103 Ca -0.02 -0.57 0.02 0.00 1.01 0.00 0.00 58.87 59.31 2kku n SER 103 Cb 0.31 -4.75 0.37 0.00 -1.01 0.00 0.00 64.21 59.13 2kku n SER 103 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2kku h LYS 104 N -1.76 0.41 -6.36 1.43 1.63 -2.04 -3.41 116.57 106.47 2kku h LYS 104 Ca -0.54 -0.07 -0.50 0.00 -0.85 0.00 0.00 60.65 58.69 2kku h LYS 104 Cb 1.31 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 2kku h LYS 104 CO 0.46 0.43 -0.28 0.21 -3.45 0.00 0.00 179.45 176.83 2kku s LYS 105 N -4.98 3.50 0.00 1.90 2.47 -1.26 -5.13 119.74 116.24 2kku s LYS 105 Ca -0.07 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 53.95 2kku s LYS 105 Cb 0.16 -2.76 0.00 0.00 -1.46 0.00 0.00 37.83 33.77 2kku s LYS 105 CO 0.74 0.29 0.00 0.36 0.16 0.00 0.00 175.35 176.90 2kku n LYS 106 N -1.27 0.99 -4.17 4.03 0.00 -1.26 -5.13 118.16 111.35 2kku n LYS 106 Ca -0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.10 2kku n LYS 106 Cb 0.55 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.45 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 -0.98 0.57 -0.37 -1.58 2.47 -1.26 -5.12 119.74 113.48 2kku s LYS 107 Ca 0.00 -0.51 -0.29 0.00 -1.56 0.00 0.00 55.97 53.61 2kku s LYS 107 Cb 0.00 -0.48 0.01 0.00 -1.46 0.00 0.00 37.83 35.91 2kku s LYS 107 CO 0.00 0.12 1.23 -1.17 0.16 0.00 0.00 175.35 175.68 2kku s LEU 108 N -0.85 3.78 0.18 5.43 1.98 -1.26 -4.32 118.68 123.63 2kku s LEU 108 Ca -0.02 0.92 -0.01 0.00 -2.89 0.00 0.00 54.13 52.13 2kku s LEU 108 Cb -0.06 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.20 2kku s LEU 108 CO 0.00 -1.14 0.37 0.26 -1.89 0.00 0.00 176.35 173.96 2kku s TRP 109 N 4.41 3.48 -0.05 5.38 0.52 -0.43 -1.23 118.94 131.03 2kku s TRP 109 Ca 0.53 0.36 0.01 0.00 0.02 0.00 0.00 56.10 57.02 2kku s TRP 109 Cb -0.13 -1.86 0.02 0.00 -1.15 0.00 0.00 33.47 30.35 2kku s TRP 109 CO 0.25 0.40 -0.07 0.00 0.02 0.00 0.00 176.95 177.56 2kku s MET 110 N -3.16 1.10 -0.52 4.98 0.23 -0.09 -1.28 119.30 120.55 2kku s MET 110 Ca 0.38 -0.21 -0.17 0.00 -1.03 0.00 0.00 55.69 54.67 2kku s MET 110 Cb -0.11 -1.01 0.10 0.00 -1.53 0.00 0.00 34.83 32.28 2kku s MET 110 CO 0.28 -0.04 0.53 0.00 -2.03 0.00 0.00 175.02 173.76 2kku s ALA 111 N 0.80 3.54 -0.19 3.16 0.00 -0.25 -1.28 121.76 127.54 2kku s ALA 111 Ca -0.13 -2.23 -0.29 0.00 0.00 0.00 0.00 51.96 49.31 2kku s ALA 111 Cb -0.15 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2kku s ALA 111 CO 0.01 -1.99 1.08 0.42 0.00 0.00 0.00 175.76 175.29 2kku s ILE 112 N 1.98 4.60 0.09 0.00 1.01 -0.50 -1.31 121.20 127.06 2kku s ILE 112 Ca 0.07 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.34 2kku s ILE 112 Cb -0.25 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.92 2kku s ILE 112 CO 0.06 -0.14 1.01 -0.70 0.00 0.00 0.00 174.94 175.17 2kku s GLU 113 N 3.04 4.62 -0.17 2.79 -6.30 -1.11 -1.26 118.70 120.32 2kku s GLU 113 Ca 0.47 1.51 0.01 0.00 -2.50 0.00 0.00 54.97 54.45 2kku s GLU 113 Cb -0.17 -3.38 0.02 0.00 0.00 0.00 0.00 34.13 30.60 2kku s GLU 113 CO 0.10 0.08 -0.17 -0.51 0.02 0.00 0.00 175.26 174.79 2kku s LEU 114 N 0.31 2.02 0.43 2.70 2.01 0.33 -0.24 118.68 126.24 2kku s LEU 114 Ca 0.50 -0.63 0.03 0.00 0.01 0.00 0.00 54.13 54.03 2kku s LEU 114 Cb -0.24 -1.35 -0.03 0.00 0.01 0.00 0.00 46.19 44.58 2kku s LEU 114 CO 0.30 -0.04 0.06 -1.83 1.01 0.00 0.00 176.35 175.85 2kku s GLU 115 N 1.37 1.97 -1.43 1.70 -1.05 -0.75 -1.13 118.70 119.38 2kku s GLU 115 Ca 0.04 -2.20 -0.08 0.00 -0.15 0.00 0.00 54.97 52.58 2kku s GLU 115 Cb -0.13 -1.07 0.04 0.00 -0.44 0.00 0.00 34.13 32.53 2kku s GLU 115 CO -0.11 -0.34 0.62 -3.47 0.95 0.00 0.00 175.26 172.90 2kku n ASP 116 N -1.15 -4.93 -4.61 0.83 2.03 -1.24 -0.77 116.55 106.71 2kku n ASP 116 Ca -0.10 -0.39 -0.43 0.00 0.52 0.00 0.00 54.79 54.39 2kku n ASP 116 Cb 0.66 -4.01 -0.03 0.00 -0.72 0.00 0.00 41.12 37.02 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 -3.09 3.35 -0.29 5.18 1.01 -1.22 -4.47 120.40 120.87 2kku s VAL 117 Ca 0.40 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 2kku s VAL 117 Cb -0.19 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2kku s VAL 117 CO 0.49 -0.26 0.03 -0.75 0.00 0.00 0.00 175.10 174.61 2kku s LYS 118 N 5.67 2.78 0.32 2.72 2.47 0.44 -4.90 119.74 129.25 2kku s LYS 118 Ca 0.85 -1.04 -0.29 0.00 -1.56 0.00 0.00 55.97 53.93 2kku s LYS 118 Cb -0.27 -3.24 -0.10 0.00 -1.46 0.00 0.00 37.83 32.76 2kku s LYS 118 CO 0.34 -0.51 1.31 0.15 0.16 0.00 0.00 175.35 176.80 2kku s LYS 119 N 1.38 4.36 -0.38 4.03 -0.14 -1.26 -1.03 119.74 126.69 2kku s LYS 119 Ca -0.01 2.20 -0.27 0.00 -1.36 0.00 0.00 55.97 56.54 2kku s LYS 119 Cb -0.18 -3.08 0.02 0.00 -1.68 0.00 0.00 37.83 32.90 2kku s LYS 119 CO -0.00 -0.19 0.99 0.71 -0.76 0.00 0.00 175.35 176.09 2kku s TYR 120 N -0.99 3.04 0.20 3.18 2.02 -0.72 -4.91 117.35 119.17 2kku s TYR 120 Ca 0.50 0.82 0.12 0.00 -0.37 0.00 0.00 57.07 58.14 2kku s TYR 120 Cb -0.39 -3.81 0.33 0.00 -0.40 0.00 0.00 41.96 37.68 2kku s TYR 120 CO 0.51 -0.91 1.58 0.22 -1.57 0.00 0.00 175.55 175.38 2kku h ASP 121 N 8.57 0.00 -3.20 2.29 3.58 -1.95 -3.46 116.42 122.26 2kku h ASP 121 Ca -0.23 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.57 2kku h ASP 121 Cb 1.07 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.01 2kku h ASP 121 CO 1.02 0.62 -0.60 -1.59 -2.88 0.00 0.00 179.24 175.80 2kku s LYS 122 N -3.44 2.93 -0.72 0.28 -2.85 -1.26 -5.07 119.74 109.62 2kku s LYS 122 Ca -0.00 -0.58 -0.27 0.00 -1.00 0.00 0.00 55.97 54.12 2kku s LYS 122 Cb 0.12 -2.77 0.02 0.00 -2.06 0.00 0.00 37.83 33.13 2kku s LYS 122 CO 0.75 0.62 1.43 -1.25 0.10 0.00 0.00 175.35 177.01 2kku s PRO 123 N -1.85 3.06 -0.17 1.78 0.04 -1.26 -4.99 135.00 131.61 2kku s PRO 123 Ca 0.23 -0.06 -0.25 0.00 0.04 0.00 0.00 61.00 60.96 2kku s PRO 123 Cb -0.12 -4.28 -0.02 0.00 0.04 0.00 0.00 34.50 30.13 2kku s PRO 123 CO 0.15 -2.31 0.80 0.42 0.04 0.00 0.00 177.00 176.10 2kku s ILE 124 N 6.57 4.90 -0.02 0.56 1.01 -1.26 -5.04 121.20 127.92 2kku s ILE 124 Ca 0.44 1.57 -0.30 0.00 0.00 0.00 0.00 60.65 62.35 2kku s ILE 124 Cb -0.09 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2kku s ILE 124 CO 0.15 0.04 1.17 -0.54 0.00 0.00 0.00 174.94 175.77 2kku s LYS 125 N 2.10 4.39 0.14 2.79 1.02 -1.26 -4.31 119.74 124.61 2kku s LYS 125 Ca 0.37 1.66 -0.31 0.00 0.02 0.00 0.00 55.97 57.71 2kku s LYS 125 Cb -0.16 -3.50 -0.09 0.00 -0.52 0.00 0.00 37.83 33.56 2kku s LYS 125 CO 0.12 -0.36 1.47 -1.25 -0.92 0.00 0.00 175.35 174.42 2kku s PRO 126 N 1.81 4.27 0.39 -1.68 0.04 -1.26 -4.93 135.00 133.64 2kku s PRO 126 Ca 0.56 2.21 0.21 0.00 0.04 0.00 0.00 61.00 64.03 2kku s PRO 126 Cb -0.25 -3.20 0.58 0.00 0.04 0.00 0.00 34.50 31.67 2kku s PRO 126 CO 0.24 -0.51 1.68 0.87 0.04 0.00 0.00 177.00 179.31 2kku h LYS 127 N 6.75 0.00 -3.55 4.56 6.56 -2.03 -3.45 116.57 125.42 2kku h LYS 127 Ca -0.42 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.09 2kku h LYS 127 Cb 1.21 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.72 2kku h LYS 127 CO 0.89 0.27 -0.24 -0.98 -2.06 0.00 0.00 179.45 177.32 2kku s ARG 128 N -3.36 0.91 0.42 3.15 1.70 -1.26 -5.16 118.95 115.34 2kku s ARG 128 Ca 0.03 -0.76 -0.26 0.00 -0.47 0.00 0.00 55.73 54.26 2kku s ARG 128 Cb 0.08 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 2kku s ARG 128 CO 0.67 -0.31 1.38 -0.48 -1.08 0.00 0.00 175.30 175.48 2kku s LEU 129 N -2.64 4.19 -0.46 -1.89 2.34 -1.26 -5.02 118.68 113.94 2kku s LEU 129 Ca 0.02 2.83 -0.01 0.00 0.06 0.00 0.00 54.13 57.03 2kku s LEU 129 Cb 0.02 -3.87 0.12 0.00 -0.56 0.00 0.00 46.19 41.90 2kku s LEU 129 CO -0.09 -0.99 0.24 -0.69 -1.06 0.00 0.00 176.35 173.76 2kku s VAL 130 N -1.21 3.16 1.14 1.48 1.01 -1.26 -4.92 120.40 119.81 2kku s VAL 130 Ca 0.58 -2.44 -0.16 0.00 0.00 0.00 0.00 61.98 59.97 2kku s VAL 130 Cb -0.42 -3.16 0.26 0.00 0.00 0.00 0.00 36.38 33.06 2kku s VAL 130 CO 0.54 -0.73 1.07 -2.84 0.00 0.00 0.00 175.10 173.14 2kku s PRO 131 N 0.68 -0.72 0.62 2.72 0.02 -1.26 -4.70 135.00 132.37 2kku s PRO 131 Ca 0.12 0.33 0.40 0.00 0.02 0.00 0.00 61.00 61.87 2kku s PRO 131 Cb -0.22 -1.62 1.99 0.00 0.02 0.00 0.00 34.50 34.67 2kku s PRO 131 CO -0.04 -3.46 2.21 -0.39 -0.33 0.00 0.00 177.00 174.99 2kku h VAL 132 N -2.41 0.00 0.00 3.83 -1.51 -1.99 -0.47 116.25 113.69 2kku h VAL 132 Ca -0.52 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 2kku h VAL 132 Cb 1.32 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 2kku h VAL 132 CO 0.47 0.00 0.00 1.23 -1.23 0.00 0.00 177.57 178.04 2kku h GLY 133 N 0.87 0.00 0.00 5.19 0.00 -1.96 -3.46 103.07 103.71 2kku h GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kku h GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2kku n GLY 134 N 0.40 -2.02 3.52 4.60 0.00 -0.19 -5.00 105.19 106.51 2kku n GLY 134 Ca 0.02 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.95 3.43 -0.62 1.61 -1.52 -0.36 -4.85 119.66 113.40 2kku s GLN 135 Ca 0.00 -0.52 -0.27 0.00 -1.95 0.00 0.00 55.36 52.62 2kku s GLN 135 Cb 0.00 -2.83 0.00 0.00 -0.22 0.00 0.00 33.01 29.96 2kku s GLN 135 CO 0.00 0.36 1.56 0.71 -0.25 0.00 0.00 175.29 177.67 2kku s TYR 136 N 0.04 2.02 -0.15 0.91 2.02 -1.26 -0.93 117.35 120.00 2kku s TYR 136 Ca -0.00 0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.85 2kku s TYR 136 Cb -0.13 -4.33 -0.03 0.00 -0.40 0.00 0.00 41.96 37.06 2kku s TYR 136 CO 0.03 -2.17 1.50 -1.17 -1.57 0.00 0.00 175.55 172.17 2kku s LEU 137 N 7.15 4.13 -0.11 -1.29 0.20 -0.14 -4.97 118.68 123.66 2kku s LEU 137 Ca 0.54 1.83 0.03 0.00 0.69 0.00 0.00 54.13 57.22 2kku s LEU 137 Cb -0.11 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.12 2kku s LEU 137 CO 0.21 -0.98 -0.19 0.00 -0.29 0.00 0.00 176.35 175.09 2kku s ARG 138 N 4.07 2.63 0.00 1.98 3.03 -1.26 -1.07 118.95 128.33 2kku s ARG 138 Ca 0.66 -0.72 0.00 0.00 2.03 0.00 0.00 55.73 57.70 2kku s ARG 138 Cb -0.26 -2.11 0.00 0.00 -1.03 0.00 0.00 34.95 31.55 2kku s ARG 138 CO 0.25 0.04 0.00 -1.91 -1.13 0.00 0.00 175.30 172.54