#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 0.59 7.83 0.02 -1.98 -2.97 113.55 117.04 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 0.07 -1.14 0.00 0.00 176.83 175.76 2kku h LYS 3 N 0.00 0.00 0.00 3.45 2.10 -2.01 -3.49 116.57 116.62 2kku h LYS 3 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 2kku h LYS 3 Cb 0.61 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 2kku h LYS 3 CO 0.00 0.00 -0.06 -0.89 -2.00 0.00 0.00 179.45 176.50 2kku n ILE 4 N -2.50 0.00 0.00 0.07 2.08 -1.12 -4.94 119.36 112.94 2kku n ILE 4 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2kku n ILE 4 Cb 0.19 -0.05 0.00 0.00 -0.75 0.00 0.00 39.64 39.03 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 -1.71 0.00 -2.81 1.39 0.24 -0.52 -2.81 118.33 112.11 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 0.07 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 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 0.96 1.82 3.09 7.63 0.00 -0.76 -1.68 105.19 116.24 2kku n GLY 6 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.62 0.88 -0.07 1.61 0.11 -0.92 -1.53 120.40 117.85 2kku s VAL 7 Ca 0.00 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.28 2kku s VAL 7 Cb 0.00 -0.80 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 2kku s VAL 7 CO 0.00 0.01 -0.13 0.28 -3.33 0.00 0.00 175.10 171.93 2kku s THR 8 N -0.71 3.10 0.03 5.04 -1.32 -0.24 -2.08 115.64 119.46 2kku s THR 8 Ca 0.00 -0.69 0.03 0.00 -1.21 0.00 0.00 61.69 59.83 2kku s THR 8 Cb -0.07 -2.24 -0.02 0.00 -1.51 0.00 0.00 72.50 68.67 2kku s THR 8 CO 0.01 0.58 -0.11 -0.31 -2.21 0.00 0.00 174.62 172.57 2kku s TYR 9 N -0.48 0.94 0.52 9.09 1.51 -1.06 -1.74 117.35 126.13 2kku s TYR 9 Ca 0.06 -0.32 0.29 0.00 -1.01 0.00 0.00 57.07 56.09 2kku s TYR 9 Cb -0.12 -0.56 1.68 0.00 -0.11 0.00 0.00 41.96 42.85 2kku s TYR 9 CO 0.02 -0.00 2.18 -1.00 -1.11 0.00 0.00 175.55 175.64 2kku h PRO 10 N 5.12 0.00 -2.37 -1.71 0.13 -1.78 -0.39 132.00 131.00 2kku h PRO 10 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kku h PRO 10 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kku h PRO 10 CO 0.45 0.05 -0.56 -0.89 -0.23 0.00 0.00 178.00 176.81 2kku n ILE 11 N -3.76 -3.75 -1.58 -3.56 2.08 -1.26 -4.56 119.36 102.96 2kku n ILE 11 Ca -0.03 1.53 -0.48 0.00 0.56 0.00 0.00 62.75 64.33 2kku n ILE 11 Cb 0.14 -2.29 -0.05 0.00 -0.75 0.00 0.00 39.64 36.69 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 -0.32 1.73 0.24 0.38 -0.04 -1.26 -4.87 135.00 130.87 2kku n PRO 12 Ca 0.00 0.56 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 2kku n PRO 12 Cb 0.00 -2.70 0.61 0.00 -0.04 0.00 0.00 33.50 31.37 2kku n PRO 12 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2kku h LYS 13 N 11.57 0.00 -0.57 0.54 1.57 -1.99 0.02 116.57 127.71 2kku h LYS 13 Ca -0.40 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2kku h LYS 13 Cb 1.28 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 2kku h LYS 13 CO 0.98 0.14 0.30 0.00 -0.57 0.00 0.00 179.45 180.29 2kku h ARG 14 N 0.00 0.80 -0.36 3.15 3.08 -2.01 -3.06 114.38 115.98 2kku h ARG 14 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2kku h ARG 14 Cb 0.28 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2kku h ARG 14 CO 0.02 0.60 0.00 1.19 -1.07 0.00 0.00 179.97 180.71 2kku n PHE 15 N -4.38 1.22 0.08 3.04 3.72 -0.10 -4.44 117.46 116.61 2kku n PHE 15 Ca 0.05 -0.81 -0.01 0.00 -0.05 0.00 0.00 57.45 56.64 2kku n PHE 15 Cb 0.11 -0.34 0.28 0.00 -0.94 0.00 0.00 39.48 38.58 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 2.45 0.29 -0.26 -1.08 1.85 -1.20 -3.11 114.93 113.88 2kku h MET 16 Ca 0.00 -0.11 -0.07 0.00 -0.61 0.00 0.00 59.70 58.92 2kku h MET 16 Cb 1.54 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.53 2kku h MET 16 CO 0.28 0.55 -0.13 0.38 -0.40 0.00 0.00 176.91 177.59 2kku h ASP 17 N 0.26 0.42 -0.09 1.39 2.03 -1.81 -3.36 116.42 115.26 2kku h ASP 17 Ca 0.04 -0.10 0.04 0.00 -0.73 0.00 0.00 57.03 56.28 2kku h ASP 17 Cb 0.62 -0.11 -0.05 0.00 -0.83 0.00 0.00 39.33 38.97 2kku h ASP 17 CO 0.05 0.58 -0.20 0.03 -1.03 0.00 0.00 179.24 178.66 2kku h ARG 18 N 0.40 -0.27 0.00 4.15 2.47 -1.87 0.14 114.38 119.41 2kku h ARG 18 Ca 0.08 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2kku h ARG 18 Cb 0.47 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2kku h ARG 18 CO 0.03 -0.18 -0.01 0.74 0.56 0.00 0.00 179.97 181.11 2kku h PHE 19 N -0.28 0.00 0.00 3.04 -1.00 -1.78 -1.57 116.94 115.35 2kku h PHE 19 Ca 0.09 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.71 2kku h PHE 19 Cb 0.40 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.94 2kku h PHE 19 CO -0.29 0.01 -1.73 1.19 -1.61 0.00 0.00 178.31 175.88 2kku n PHE 20 N -4.43 0.53 -0.12 -0.55 3.72 -0.67 -2.49 117.46 113.45 2kku n PHE 20 Ca -0.03 0.17 -0.12 0.00 -0.05 0.00 0.00 57.45 57.42 2kku n PHE 20 Cb 0.10 -0.91 -0.03 0.00 -0.94 0.00 0.00 39.48 37.70 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 0.73 0.00 -1.08 3.11 0.24 -3.35 116.57 116.22 2kku h LYS 21 Ca -0.19 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 2kku h LYS 21 Cb 1.53 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.74 2kku h LYS 21 CO 0.03 0.92 -1.18 0.36 -2.81 0.00 0.00 179.45 176.77 2kku n LYS 22 N -4.32 1.39 0.00 1.90 2.85 -0.95 -5.01 118.16 114.02 2kku n LYS 22 Ca -0.02 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 2kku n LYS 22 Cb 0.39 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 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 1.63 2.69 2.87 2.58 0.00 -1.04 -4.87 105.19 109.05 2kku n GLY 23 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2kku n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kku s LYS 24 N 0.00 0.34 0.49 1.61 2.20 -1.26 -2.71 119.74 120.42 2kku s LYS 24 Ca 0.00 0.27 0.07 0.00 -0.36 0.00 0.00 55.97 55.95 2kku s LYS 24 Cb 0.00 -0.55 0.02 0.00 -1.51 0.00 0.00 37.83 35.79 2kku s LYS 24 CO 0.00 -0.82 0.44 0.34 -0.36 0.00 0.00 175.35 174.96 2kku s ASP 25 N 2.49 4.87 -0.21 1.43 2.15 0.97 -4.84 116.67 123.53 2kku s ASP 25 Ca 0.11 -0.98 -0.02 0.00 0.43 0.00 0.00 52.55 52.09 2kku s ASP 25 Cb -0.14 -0.04 0.06 0.00 -0.30 0.00 0.00 42.92 42.50 2kku s ASP 25 CO -0.22 -0.93 0.04 -0.69 -0.17 0.00 0.00 175.17 173.19 2kku s VAL 26 N -2.63 0.61 -0.46 1.11 1.01 -0.25 -0.48 120.40 119.31 2kku s VAL 26 Ca 0.44 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 2kku s VAL 26 Cb -0.03 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.25 2kku s VAL 26 CO 0.26 -0.25 0.69 0.12 0.00 0.00 0.00 175.10 175.93 2kku s PHE 27 N 1.81 3.02 -0.11 5.22 5.36 -0.35 -2.33 117.98 130.61 2kku s PHE 27 Ca -0.00 -0.09 -0.15 0.00 -0.96 0.00 0.00 56.93 55.73 2kku s PHE 27 Cb -0.17 -3.50 -0.05 0.00 -0.34 0.00 0.00 43.02 38.96 2kku s PHE 27 CO -0.10 -0.96 0.36 0.14 -1.46 0.00 0.00 175.22 173.21 2kku s VAL 28 N 2.98 5.22 -0.03 3.12 -7.23 -1.26 -1.47 120.40 121.72 2kku s VAL 28 Ca 0.23 0.72 0.01 0.00 -1.81 0.00 0.00 61.98 61.13 2kku s VAL 28 Cb -0.14 -3.69 0.01 0.00 0.56 0.00 0.00 36.38 33.12 2kku s VAL 28 CO 0.19 0.43 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.60 2kku s LYS 29 N 0.07 0.69 -0.89 4.82 2.47 -0.55 -4.98 119.74 121.37 2kku s LYS 29 Ca 0.21 -0.14 -0.16 0.00 -1.56 0.00 0.00 55.97 54.32 2kku s LYS 29 Cb -0.14 -0.70 -0.11 0.00 -1.46 0.00 0.00 37.83 35.42 2kku s LYS 29 CO 0.08 -0.01 2.02 -0.35 0.16 0.00 0.00 175.35 177.25 2kku n PRO 30 N 3.66 1.82 -1.25 4.03 -0.04 -1.26 -0.70 135.00 141.27 2kku n PRO 30 Ca -0.22 -1.80 -0.11 0.00 -0.04 0.00 0.00 63.50 61.33 2kku n PRO 30 Cb 0.53 -2.81 -0.05 0.00 -0.04 0.00 0.00 33.50 31.13 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 6.35 -0.17 0.18 0.55 0.00 -0.82 -4.83 120.51 121.77 2kku n ALA 31 Ca 0.49 0.18 0.03 0.00 0.00 0.00 0.00 53.44 54.14 2kku n ALA 31 Cb 0.32 -1.48 0.32 0.00 0.00 0.00 0.00 19.45 18.61 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 1.15 -3.58 0.00 2.02 -1.88 -3.42 112.91 107.19 2kku h THR 32 Ca -0.23 -1.57 -0.52 0.00 0.77 0.00 0.00 66.41 64.87 2kku h THR 32 Cb 0.95 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 2kku h THR 32 CO 0.33 0.42 0.02 -0.69 0.37 0.00 0.00 175.52 175.98 2kku s VAL 33 N -3.82 4.75 0.00 3.16 1.01 -1.26 -5.10 120.40 119.14 2kku s VAL 33 Ca -0.01 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2kku s VAL 33 Cb 0.13 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2kku s VAL 33 CO 0.71 -0.05 0.00 0.79 0.00 0.00 0.00 175.10 176.55 2kku n TRP 34 N -0.02 -2.93 1.37 5.22 7.02 -1.26 -4.97 117.44 121.87 2kku n TRP 34 Ca 0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.60 2kku n TRP 34 Cb 0.52 0.00 0.66 0.00 -2.42 0.00 0.00 31.31 30.08 2kku n TRP 34 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 2kku n LYS 35 N -0.81 0.64 0.21 -0.99 2.85 -1.26 -3.25 118.16 115.55 2kku n LYS 35 Ca 0.00 0.02 0.07 0.00 -1.05 0.00 0.00 58.31 57.34 2kku n LYS 35 Cb 0.00 -1.50 0.57 0.00 -0.65 0.00 0.00 35.03 33.45 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2kku h GLU 36 N 0.00 0.08 -5.86 -1.58 3.07 -2.02 -3.40 114.58 104.87 2kku h GLU 36 Ca 0.00 -0.01 -0.45 0.00 -0.50 0.00 0.00 59.36 58.40 2kku h GLU 36 Cb 0.05 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 2kku h GLU 36 CO 0.00 0.11 1.28 -0.51 -1.40 0.00 0.00 179.01 178.48 2kku s LEU 37 N -9.00 3.28 0.20 1.33 2.01 -1.20 -4.97 118.68 110.33 2kku s LEU 37 Ca -0.05 0.32 0.10 0.00 0.01 0.00 0.00 54.13 54.51 2kku s LEU 37 Cb 0.17 -2.53 -0.04 0.00 0.01 0.00 0.00 46.19 43.79 2kku s LEU 37 CO 0.69 -2.56 -0.20 -1.59 1.01 0.00 0.00 176.35 173.69 2kku s LYS 38 N 7.31 1.45 -0.45 1.70 0.00 -1.26 -4.95 119.74 123.54 2kku s LYS 38 Ca 0.74 -1.54 -0.28 0.00 0.00 0.00 0.00 55.97 54.88 2kku s LYS 38 Cb -0.13 -1.59 -0.01 0.00 0.00 0.00 0.00 37.83 36.11 2kku s LYS 38 CO 0.18 0.32 1.63 -1.25 0.00 0.00 0.00 175.35 176.24 2kku s PRO 39 N -2.97 3.25 0.00 1.78 0.04 -1.26 -3.73 135.00 132.11 2kku s PRO 39 Ca 0.21 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2kku s PRO 39 Cb -0.06 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2kku s PRO 39 CO 0.10 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 175.58 2kku n GLY 40 N 5.36 0.69 1.55 0.56 0.00 -0.03 -4.93 105.19 108.39 2kku n GLY 40 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 1.25 -4.36 1.61 2.81 -0.75 -4.96 117.12 112.72 2kku n MET 41 Ca 0.00 -1.45 -0.26 0.00 -1.81 0.00 0.00 57.70 54.19 2kku n MET 41 Cb 0.00 0.22 -0.10 0.00 -0.71 0.00 0.00 33.22 32.63 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 -2.88 1.87 -0.30 0.03 -2.85 -0.67 -1.13 119.74 113.81 2kku s LYS 42 Ca 0.09 -1.47 -0.02 0.00 -1.00 0.00 0.00 55.97 53.57 2kku s LYS 42 Cb -0.01 -1.99 0.10 0.00 -2.06 0.00 0.00 37.83 33.87 2kku s LYS 42 CO 0.06 0.39 0.11 0.12 0.10 0.00 0.00 175.35 176.13 2kku s PHE 43 N -1.97 1.00 -0.16 1.78 2.19 -0.40 -2.17 117.98 118.25 2kku s PHE 43 Ca 0.26 -1.29 -0.23 0.00 0.33 0.00 0.00 56.93 55.99 2kku s PHE 43 Cb -0.07 -1.30 -0.02 0.00 -1.31 0.00 0.00 43.02 40.32 2kku s PHE 43 CO 0.14 -0.85 0.75 0.08 1.83 0.00 0.00 175.22 177.17 2kku s VAL 44 N 1.86 4.95 -0.51 3.12 1.01 -0.88 -0.41 120.40 129.54 2kku s VAL 44 Ca 0.09 1.46 -0.22 0.00 0.00 0.00 0.00 61.98 63.31 2kku s VAL 44 Cb -0.17 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.20 2kku s VAL 44 CO -0.31 0.08 0.80 -0.36 0.00 0.00 0.00 175.10 175.32 2kku s PHE 45 N 1.89 2.92 0.57 5.22 0.08 0.09 -2.57 117.98 126.19 2kku s PHE 45 Ca 0.35 -0.14 -0.15 0.00 0.12 0.00 0.00 56.93 57.11 2kku s PHE 45 Cb -0.16 -3.80 -0.05 0.00 -0.57 0.00 0.00 43.02 38.44 2kku s PHE 45 CO 0.12 -1.16 1.02 -0.47 -0.10 0.00 0.00 175.22 174.63 2kku s TYR 46 N 3.37 3.32 0.06 0.36 5.04 -0.16 -1.71 117.35 127.63 2kku s TYR 46 Ca 0.25 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 2kku s TYR 46 Cb -0.15 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.32 2kku s TYR 46 CO 0.18 -0.71 0.00 0.00 -1.34 0.00 0.00 175.55 173.68 2kku n GLN 47 N -2.04 -0.52 -0.53 4.97 10.64 -0.32 -4.47 117.38 125.12 2kku n GLN 47 Ca 0.07 0.34 0.00 0.00 -1.83 0.00 0.00 57.00 55.58 2kku n GLN 47 Cb 0.54 -0.63 0.00 0.00 -0.86 0.00 0.00 30.24 29.28 2kku n GLN 47 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2kku n SER 48 N -3.45 0.00 -0.27 2.61 2.88 -1.26 -1.81 113.62 112.32 2kku n SER 48 Ca 0.00 -0.41 0.06 0.00 -1.33 0.00 0.00 58.87 57.19 2kku n SER 48 Cb 0.12 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 63.86 2kku n SER 48 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2kku h HIS 49 N 0.41 0.96 -2.24 0.66 2.76 -1.96 -3.45 115.15 112.28 2kku h HIS 49 Ca 0.00 0.03 -0.56 0.00 -2.20 0.00 0.00 60.37 57.63 2kku h HIS 49 Cb 0.00 -0.31 -0.13 0.00 1.55 0.00 0.00 27.41 28.51 2kku h HIS 49 CO 0.00 0.48 -0.54 -1.21 -1.30 0.00 0.00 177.93 175.35 2kku s GLU 50 N -5.83 1.91 -1.19 5.26 2.02 -1.26 -5.07 118.70 114.54 2kku s GLU 50 Ca -0.11 -2.15 -0.20 0.00 0.02 0.00 0.00 54.97 52.53 2kku s GLU 50 Cb 0.20 -0.89 0.03 0.00 0.10 0.00 0.00 34.13 33.57 2kku s GLU 50 CO 0.79 -0.36 1.73 0.34 0.02 0.00 0.00 175.26 177.78 2kku s ASP 51 N -3.63 6.29 0.00 -0.19 2.15 -1.26 -4.60 116.67 115.43 2kku s ASP 51 Ca 0.24 -1.95 0.00 0.00 0.43 0.00 0.00 52.55 51.27 2kku s ASP 51 Cb 0.04 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2kku s ASP 51 CO 0.13 -1.74 0.85 0.35 -0.17 0.00 0.00 175.17 174.60 2kku n THR 52 N 6.89 0.72 0.00 1.71 -2.24 -1.26 -5.05 114.28 115.05 2kku n THR 52 Ca 0.44 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2kku n THR 52 Cb 0.47 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2kku n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kku n GLY 53 N -0.36 2.05 3.41 3.38 0.00 -1.26 -3.77 105.19 108.64 2kku n GLY 53 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 1.72 -0.02 1.61 0.08 -1.11 -1.17 117.98 119.09 2kku s PHE 54 Ca 0.00 -1.24 0.01 0.00 0.12 0.00 0.00 56.93 55.82 2kku s PHE 54 Cb 0.00 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2kku s PHE 54 CO 0.00 -0.33 -0.00 1.55 -0.10 0.00 0.00 175.22 176.34 2kku n VAL 55 N -0.68 0.12 -2.86 -0.44 3.14 -0.69 -4.63 118.33 112.28 2kku n VAL 55 Ca -0.02 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2kku n VAL 55 Cb 0.65 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 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 3.10 1.03 3.60 7.55 0.00 -1.14 -1.56 105.19 117.77 2kku n GLY 56 Ca -0.03 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 0.99 1.97 0.09 1.61 -1.05 -0.41 -0.73 118.70 121.17 2kku s GLU 57 Ca 0.00 -1.60 -0.04 0.00 -0.15 0.00 0.00 54.97 53.19 2kku s GLU 57 Cb 0.00 0.50 0.01 0.00 -0.44 0.00 0.00 34.13 34.21 2kku s GLU 57 CO 0.00 -0.85 0.19 0.00 0.95 0.00 0.00 175.26 175.54 2kku n ALA 58 N -0.53 -0.43 -3.87 -0.84 0.00 0.46 -0.65 120.51 114.64 2kku n ALA 58 Ca -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.83 2kku n ALA 58 Cb 0.61 0.23 -0.16 0.00 0.00 0.00 0.00 19.45 20.12 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 2.40 0.02 0.00 1.81 -0.15 -1.28 118.95 119.74 2kku s ARG 59 Ca 0.04 -0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 53.13 2kku s ARG 59 Cb -0.01 -2.11 -0.05 0.00 -0.45 0.00 0.00 34.95 32.33 2kku s ARG 59 CO 0.03 -0.15 1.20 0.42 -0.68 0.00 0.00 175.30 176.11 2kku s ILE 60 N 1.24 4.11 0.00 1.52 1.01 -0.28 -1.60 121.20 127.20 2kku s ILE 60 Ca -0.00 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2kku s ILE 60 Cb -0.14 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2kku s ILE 60 CO -0.07 0.08 0.00 0.29 0.00 0.00 0.00 174.94 175.24 2kku n LYS 61 N 4.34 0.90 -1.43 2.79 4.76 0.91 -0.85 118.16 129.59 2kku n LYS 61 Ca 0.10 0.00 -0.61 0.00 -2.87 0.00 0.00 58.31 54.93 2kku n LYS 61 Cb 0.46 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.55 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 0.19 -2.88 1.97 1.85 -1.26 -2.68 116.66 113.85 2kku n ARG 62 Ca 0.00 0.06 -0.43 0.00 -1.00 0.00 0.00 57.85 56.48 2kku n ARG 62 Cb 0.00 -1.64 -0.05 0.00 -1.05 0.00 0.00 32.46 29.72 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 5.21 4.59 -0.45 8.89 -7.23 -1.26 -3.07 120.40 127.09 2kku s VAL 63 Ca 1.14 0.79 -0.22 0.00 -1.81 0.00 0.00 61.98 61.88 2kku s VAL 63 Cb -1.40 -4.34 0.03 0.00 0.56 0.00 0.00 36.38 31.23 2kku s VAL 63 CO 0.68 -0.66 0.74 -0.69 -0.31 0.00 0.00 175.10 174.86 2kku s VAL 64 N 3.45 4.71 -0.29 1.32 1.01 -0.42 -4.84 120.40 125.33 2kku s VAL 64 Ca 0.34 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.38 2kku s VAL 64 Cb -0.12 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 2kku s VAL 64 CO 0.22 -0.70 0.76 -0.76 0.00 0.00 0.00 175.10 174.62 2kku s LEU 65 N 3.14 4.09 -0.14 3.92 1.43 -1.26 -1.16 118.68 128.70 2kku s LEU 65 Ca 0.27 0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 53.99 2kku s LEU 65 Cb -0.13 -3.03 0.06 0.00 0.03 0.00 0.00 46.19 43.11 2kku s LEU 65 CO 0.21 -0.56 0.31 -0.55 0.23 0.00 0.00 176.35 175.99 2kku s SER 66 N 1.57 -0.23 0.59 2.29 0.15 -0.49 -5.02 113.70 112.55 2kku s SER 66 Ca 0.31 0.69 0.36 0.00 0.70 0.00 0.00 55.95 58.02 2kku s SER 66 Cb -0.14 0.65 1.76 0.00 -1.71 0.00 0.00 66.02 66.57 2kku s SER 66 CO 0.11 -0.19 2.14 -0.33 1.20 0.00 0.00 173.24 176.17 2kku h GLU 67 N 7.45 0.00 -4.83 5.44 5.08 -1.79 -1.29 114.58 124.64 2kku h GLU 67 Ca -0.33 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.38 2kku h GLU 67 Cb 1.15 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.23 2kku h GLU 67 CO 0.29 0.03 -0.49 -0.80 -1.00 0.00 0.00 179.01 177.03 2kku s ASN 68 N -5.59 6.05 0.50 1.42 0.01 -1.26 -4.27 114.94 111.80 2kku s ASN 68 Ca -0.02 -0.17 0.33 0.00 -0.71 0.00 0.00 52.86 52.29 2kku s ASN 68 Cb 0.11 -2.13 1.49 0.00 0.41 0.00 0.00 41.25 41.13 2kku s ASN 68 CO 0.51 -0.14 1.99 1.55 -1.51 0.00 0.00 177.10 179.50 2kku h PRO 69 N 8.42 0.00 0.00 -0.60 0.13 -1.90 -3.14 132.00 134.90 2kku h PRO 69 Ca -0.33 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.59 0.00 -0.38 0.52 -0.23 0.00 0.00 178.00 178.50 2kku h MET 70 N 0.00 0.00 0.00 0.86 2.86 -1.95 -2.65 114.93 114.05 2kku h MET 70 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2kku h MET 70 Cb 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2kku h MET 70 CO 0.00 0.38 -0.06 1.96 1.06 0.00 0.00 176.91 180.25 2kku h GLN 71 N 0.00 0.00 0.01 1.72 4.20 -1.96 -1.34 115.11 117.74 2kku h GLN 71 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 2kku h GLN 71 Cb 0.98 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 2kku h GLN 71 CO 0.05 0.06 -0.95 0.74 -0.67 0.00 0.00 178.83 178.06 2kku h PHE 72 N 0.00 0.08 0.00 2.96 0.04 -1.68 -2.76 116.94 115.58 2kku h PHE 72 Ca -0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2kku h PHE 72 Cb 0.27 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2kku h PHE 72 CO 0.00 0.96 -0.22 0.74 -0.60 0.00 0.00 178.31 179.19 2kku h PHE 73 N 0.02 0.00 0.02 -0.55 0.04 -1.34 0.35 116.94 115.49 2kku h PHE 73 Ca -0.03 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.43 2kku h PHE 73 Cb 1.65 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.75 2kku h PHE 73 CO 0.01 0.00 -1.81 -0.85 -0.60 0.00 0.00 178.31 175.06 2kku n GLU 74 N -2.41 0.66 0.05 1.51 0.28 -0.95 -3.06 120.64 116.72 2kku n GLU 74 Ca 0.04 0.27 -0.20 0.00 -0.16 0.00 0.00 57.16 57.12 2kku n GLU 74 Cb 0.46 -1.76 -0.12 0.00 1.43 0.00 0.00 31.44 31.45 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 0.01 1.33 0.00 3.84 2.02 -1.48 -3.44 112.91 115.19 2kku h THR 75 Ca -0.33 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.57 2kku h THR 75 Cb 2.03 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 71.03 2kku h THR 75 CO 0.08 0.69 -0.03 0.49 0.37 0.00 0.00 175.52 177.12 2kku n PHE 76 N -3.95 0.00 0.00 3.16 3.72 0.07 -5.08 117.46 115.38 2kku n PHE 76 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2kku n PHE 76 Cb 0.86 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 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 3.28 1.87 0.24 1.37 0.00 -0.96 -3.94 105.19 107.06 2kku n GLY 77 Ca -0.00 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.79 1.61 3.58 -1.88 -2.61 116.42 116.33 2kku h ASP 78 Ca 0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 2kku h ASP 78 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 2kku h ASP 78 CO 0.00 0.13 0.52 0.03 -2.88 0.00 0.00 179.24 177.04 2kku h ARG 79 N 0.00 1.03 -7.01 0.28 2.47 -1.89 -3.44 114.38 105.82 2kku h ARG 79 Ca -0.00 -0.06 -0.54 0.00 -1.26 0.00 0.00 59.98 58.12 2kku h ARG 79 Cb 0.68 -0.23 0.11 0.00 -1.65 0.00 0.00 29.97 28.88 2kku h ARG 79 CO 0.02 0.68 0.61 0.08 0.56 0.00 0.00 179.97 181.92 2kku s VAL 80 N -5.88 2.31 0.67 2.04 1.01 -0.98 -1.09 120.40 118.47 2kku s VAL 80 Ca -0.11 0.24 0.45 0.00 0.00 0.00 0.00 61.98 62.56 2kku s VAL 80 Cb 0.18 -3.13 0.45 0.00 0.00 0.00 0.00 36.38 33.87 2kku s VAL 80 CO 0.79 0.01 2.38 2.19 0.00 0.00 0.00 175.10 180.46 2kku h PHE 81 N 1.91 0.00 -3.62 5.22 -0.00 -1.75 -3.42 116.94 115.28 2kku h PHE 81 Ca -0.50 0.00 -0.32 0.00 -0.00 0.00 0.00 57.97 57.15 2kku h PHE 81 Cb 1.28 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 37.08 2kku h PHE 81 CO 0.49 0.00 -0.66 -0.48 -0.00 0.00 0.00 178.31 177.66 2kku s LEU 82 N -6.18 2.13 0.57 2.10 2.34 -1.26 -4.77 118.68 113.60 2kku s LEU 82 Ca -0.05 -1.19 0.07 0.00 0.06 0.00 0.00 54.13 53.02 2kku s LEU 82 Cb 0.13 -0.13 0.08 0.00 -0.56 0.00 0.00 46.19 45.71 2kku s LEU 82 CO 0.41 -0.55 0.78 0.28 -1.06 0.00 0.00 176.35 176.21 2kku s THR 83 N -3.58 2.34 0.49 5.48 -1.32 -1.26 -4.85 115.64 112.94 2kku s THR 83 Ca 0.26 -0.92 0.17 0.00 -1.21 0.00 0.00 61.69 59.99 2kku s THR 83 Cb 0.06 -2.42 0.24 0.00 -1.51 0.00 0.00 72.50 68.87 2kku s THR 83 CO 0.06 0.00 2.09 0.50 -2.21 0.00 0.00 174.62 175.06 2kku h LYS 84 N 0.15 0.00 -0.26 7.08 3.64 -1.95 -0.84 116.57 124.39 2kku h LYS 84 Ca -0.33 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 2kku h LYS 84 Cb 1.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2kku h LYS 84 CO 0.42 0.08 0.01 -0.44 -2.27 0.00 0.00 179.45 177.25 2kku h ASP 85 N 0.00 0.45 -0.44 4.20 5.19 -2.00 -1.60 116.42 122.22 2kku h ASP 85 Ca -0.00 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.07 2kku h ASP 85 Cb 0.14 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 2kku h ASP 85 CO 0.01 0.63 0.13 -0.33 -3.12 0.00 0.00 179.24 176.56 2kku h GLU 86 N 0.25 0.76 0.48 3.56 3.07 -1.73 -2.78 114.58 118.19 2kku h GLU 86 Ca 0.08 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 2kku h GLU 86 Cb 0.40 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2kku h GLU 86 CO 0.01 0.68 -0.23 1.25 -1.40 0.00 0.00 179.01 179.32 2kku h LEU 87 N 0.74 -0.54 -0.56 1.33 5.85 -1.02 -1.25 115.31 119.85 2kku h LEU 87 Ca 0.17 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 2kku h LEU 87 Cb 0.26 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2kku h LEU 87 CO -0.00 -0.37 0.18 0.07 -0.34 0.00 0.00 178.44 177.97 2kku h LYS 88 N -0.67 0.88 -0.04 1.25 5.09 -1.27 -1.17 116.57 120.64 2kku h LYS 88 Ca -0.07 -0.19 -0.11 0.00 0.09 0.00 0.00 60.65 60.37 2kku h LYS 88 Cb 0.51 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 32.69 2kku h LYS 88 CO 0.11 0.80 -0.51 1.05 -2.09 0.00 0.00 179.45 178.81 2kku h GLU 89 N 0.79 0.10 -0.44 0.07 4.11 -1.55 -1.46 114.58 116.21 2kku h GLU 89 Ca 0.18 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.50 2kku h GLU 89 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2kku h GLU 89 CO -0.01 0.59 0.08 -0.92 0.07 0.00 0.00 179.01 178.82 2kku h TYR 90 N 0.08 0.77 -0.01 2.06 3.20 -0.65 0.23 116.97 122.65 2kku h TYR 90 Ca 0.00 -0.10 -0.17 0.00 3.14 0.00 0.00 58.73 61.60 2kku h TYR 90 Cb 0.92 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2kku h TYR 90 CO 0.01 0.73 -0.77 0.52 -1.64 0.00 0.00 178.16 177.00 2kku h MET 91 N 0.58 0.12 0.00 1.82 2.86 -1.11 -0.51 114.93 118.69 2kku h MET 91 Ca 0.13 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 2kku h MET 91 Cb 0.37 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2kku h MET 91 CO 0.01 0.83 -0.39 0.87 1.06 0.00 0.00 176.91 179.29 2kku h LYS 92 N 0.08 0.00 -0.09 1.72 1.79 -1.15 -2.20 116.57 116.71 2kku h LYS 92 Ca -0.02 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.24 2kku h LYS 92 Cb 1.36 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.02 2kku h LYS 92 CO 0.11 0.39 -0.76 0.77 -1.08 0.00 0.00 179.45 178.89 2kku h SER 93 N 0.00 0.82 -0.36 0.86 0.02 -0.63 -3.25 113.55 111.02 2kku h SER 93 Ca -0.00 -0.67 -0.00 0.00 -0.84 0.00 0.00 61.79 60.27 2kku h SER 93 Cb 0.79 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 2kku h SER 93 CO 0.05 1.37 0.22 1.56 -1.14 0.00 0.00 176.83 178.89 2kku h GLN 94 N 0.33 0.48 0.00 3.45 1.08 -0.86 -0.68 115.11 118.92 2kku h GLN 94 Ca -0.07 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.05 2kku h GLN 94 Cb 1.41 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.73 2kku h GLN 94 CO 0.15 0.36 -0.19 1.05 -0.95 0.00 0.00 178.83 179.25 2kku h GLU 95 N 0.47 0.00 0.00 1.46 4.11 -1.53 -1.21 114.58 117.88 2kku h GLU 95 Ca 0.13 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.21 2kku h GLU 95 Cb -0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 2kku h GLU 95 CO -0.02 0.19 -2.21 2.89 0.07 0.00 0.00 179.01 179.93 2kku n ARG 96 N -3.57 0.67 0.04 1.06 1.85 -1.06 -4.38 116.66 111.27 2kku n ARG 96 Ca -0.01 0.08 -0.01 0.00 -1.00 0.00 0.00 57.85 56.92 2kku n ARG 96 Cb 0.33 -1.60 -0.08 0.00 -1.05 0.00 0.00 32.46 30.07 2kku n ARG 96 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 2kku h TRP 97 N 0.00 0.00 0.00 2.89 -0.00 -1.12 -3.50 115.95 114.23 2kku h TRP 97 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.41 2kku h TRP 97 Cb 2.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.33 2kku h TRP 97 CO 0.00 0.60 0.00 0.41 -0.00 0.00 0.00 178.44 179.46 2kku n GLY 98 N 1.39 3.94 2.20 1.49 0.00 -0.46 -5.09 105.19 108.66 2kku n GLY 98 Ca -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 2kku n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku n ARG 99 N 0.00 -3.20 0.02 1.61 5.12 -1.25 -4.38 116.66 114.57 2kku n ARG 99 Ca 0.00 2.55 -0.01 0.00 -1.93 0.00 0.00 57.85 58.46 2kku n ARG 99 Cb 0.00 -3.72 -0.00 0.00 -1.16 0.00 0.00 32.46 27.57 2kku n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kku h ARG 100 N 2.79 -0.06 -1.45 5.56 2.47 -1.95 -3.47 114.38 118.27 2kku h ARG 100 Ca -0.35 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.30 2kku h ARG 100 Cb 0.78 0.01 -0.26 0.00 -1.65 0.00 0.00 29.97 28.86 2kku h ARG 100 CO 0.01 -0.04 -0.44 0.50 0.56 0.00 0.00 179.97 180.55 2kku s ARG 101 N -1.79 0.46 0.00 0.04 3.52 -1.26 -5.17 118.95 114.75 2kku s ARG 101 Ca -0.01 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 2kku s ARG 101 Cb 0.00 -0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 2kku s ARG 101 CO 0.03 -0.90 0.00 0.39 -0.81 0.00 0.00 175.30 174.01 2kku n GLU 102 N 5.38 0.10 0.05 5.12 -0.58 -1.26 -4.90 120.64 124.56 2kku n GLU 102 Ca 0.01 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.79 2kku n GLU 102 Cb 0.51 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.60 2kku n GLU 102 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kku n SER 103 N -2.51 0.19 -1.87 1.62 2.88 -1.26 -4.80 113.62 107.87 2kku n SER 103 Ca 0.00 0.59 -0.18 0.00 -1.33 0.00 0.00 58.87 57.94 2kku n SER 103 Cb 0.00 -0.61 -0.03 0.00 -0.75 0.00 0.00 64.21 62.82 2kku n SER 103 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kku n LYS 104 N -1.76 -1.40 -3.56 -1.46 3.00 -1.26 -4.95 118.16 106.78 2kku n LYS 104 Ca -0.00 0.97 -0.09 0.00 -0.00 0.00 0.00 58.31 59.19 2kku n LYS 104 Cb 0.03 -5.41 -0.02 0.00 0.00 0.00 0.00 35.03 29.64 2kku n LYS 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2kku s LYS 105 N -4.48 1.16 0.46 1.64 2.47 -1.26 -5.17 119.74 114.57 2kku s LYS 105 Ca 0.00 -0.50 -0.22 0.00 -1.56 0.00 0.00 55.97 53.68 2kku s LYS 105 Cb 0.00 0.49 -0.08 0.00 -1.46 0.00 0.00 37.83 36.78 2kku s LYS 105 CO 0.00 -0.52 1.12 -1.59 0.16 0.00 0.00 175.35 174.52 2kku s LYS 106 N -3.47 3.80 0.19 4.03 0.00 -1.26 -5.05 119.74 117.97 2kku s LYS 106 Ca 0.05 1.64 -0.07 0.00 0.00 0.00 0.00 55.97 57.60 2kku s LYS 106 Cb -0.02 -2.35 -0.06 0.00 0.00 0.00 0.00 37.83 35.40 2kku s LYS 106 CO -0.07 -0.48 0.46 0.21 0.00 0.00 0.00 175.35 175.47 2kku s LYS 107 N -2.79 3.70 -0.03 1.78 2.47 -1.26 -5.05 119.74 118.56 2kku s LYS 107 Ca 0.64 0.07 -0.30 0.00 -1.56 0.00 0.00 55.97 54.82 2kku s LYS 107 Cb -0.25 -2.75 -0.05 0.00 -1.46 0.00 0.00 37.83 33.31 2kku s LYS 107 CO 0.30 0.39 1.50 -1.17 0.16 0.00 0.00 175.35 176.53 2kku s LEU 108 N -2.78 4.31 0.19 5.43 1.98 -1.26 -4.41 118.68 122.13 2kku s LEU 108 Ca 0.44 2.15 0.06 0.00 -2.89 0.00 0.00 54.13 53.89 2kku s LEU 108 Cb -0.12 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 43.15 2kku s LEU 108 CO 0.23 -0.81 0.14 0.26 -1.89 0.00 0.00 176.35 174.29 2kku s TRP 109 N 3.06 3.12 -0.06 5.38 0.52 -0.49 -1.95 118.94 128.53 2kku s TRP 109 Ca 0.67 -0.05 0.01 0.00 0.02 0.00 0.00 56.10 56.76 2kku s TRP 109 Cb -0.32 -1.47 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 2kku s TRP 109 CO 0.27 0.52 -0.08 0.00 0.02 0.00 0.00 176.95 177.68 2kku s MET 110 N -3.29 1.26 -0.45 4.98 0.23 0.13 -1.40 119.30 120.75 2kku s MET 110 Ca 0.31 -0.25 -0.09 0.00 -1.03 0.00 0.00 55.69 54.63 2kku s MET 110 Cb -0.09 -1.14 0.10 0.00 -1.53 0.00 0.00 34.83 32.17 2kku s MET 110 CO 0.23 -0.04 0.31 0.00 -2.03 0.00 0.00 175.02 173.49 2kku s ALA 111 N 0.85 3.35 -0.21 3.16 0.00 -0.31 -1.49 121.76 127.12 2kku s ALA 111 Ca -0.12 -2.36 -0.27 0.00 0.00 0.00 0.00 51.96 49.22 2kku s ALA 111 Cb -0.15 -2.75 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 2kku s ALA 111 CO 0.01 -1.79 0.92 0.42 0.00 0.00 0.00 175.76 175.33 2kku s ILE 112 N 1.39 4.79 -0.70 0.00 1.01 -0.54 -1.30 121.20 125.84 2kku s ILE 112 Ca 0.04 1.79 -0.27 0.00 0.00 0.00 0.00 60.65 62.21 2kku s ILE 112 Cb -0.25 -4.21 0.03 0.00 0.01 0.00 0.00 42.46 38.04 2kku s ILE 112 CO 0.01 -0.08 1.25 -0.70 0.00 0.00 0.00 174.94 175.42 2kku s GLU 113 N 2.74 3.26 -0.24 2.79 2.12 -1.09 -1.21 118.70 127.07 2kku s GLU 113 Ca 0.40 -0.14 -0.23 0.00 0.36 0.00 0.00 54.97 55.37 2kku s GLU 113 Cb -0.16 -4.14 -0.01 0.00 0.26 0.00 0.00 34.13 30.08 2kku s GLU 113 CO 0.09 -2.04 0.73 -0.51 -0.54 0.00 0.00 175.26 173.00 2kku s LEU 114 N 5.53 4.09 0.20 2.70 2.01 0.37 -0.06 118.68 133.52 2kku s LEU 114 Ca 0.37 0.90 -0.00 0.00 0.01 0.00 0.00 54.13 55.40 2kku s LEU 114 Cb -0.08 -3.04 -0.04 0.00 0.01 0.00 0.00 46.19 43.04 2kku s LEU 114 CO 0.17 -0.43 0.10 -1.83 1.01 0.00 0.00 176.35 175.37 2kku s GLU 115 N 2.58 1.20 -1.73 1.70 4.04 -0.62 -0.02 118.70 125.84 2kku s GLU 115 Ca 0.31 -1.62 -0.00 0.00 0.04 0.00 0.00 54.97 53.70 2kku s GLU 115 Cb -0.15 0.10 0.00 0.00 0.02 0.00 0.00 34.13 34.10 2kku s GLU 115 CO 0.08 -0.33 0.01 -3.47 -1.84 0.00 0.00 175.26 169.71 2kku n ASP 116 N -0.28 -5.77 -4.65 0.83 2.03 -1.22 -0.97 116.55 106.51 2kku n ASP 116 Ca -0.00 -0.02 -0.42 0.00 0.52 0.00 0.00 54.79 54.86 2kku n ASP 116 Cb 0.65 -4.79 -0.03 0.00 -0.72 0.00 0.00 41.12 36.23 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 -3.01 3.09 0.11 5.18 1.01 -1.10 -4.58 120.40 121.10 2kku s VAL 117 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2kku s VAL 117 Cb -0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2kku s VAL 117 CO 0.00 -0.02 0.20 -0.75 0.00 0.00 0.00 175.10 174.53 2kku s LYS 118 N 4.76 3.24 -0.10 2.72 2.47 0.18 -4.93 119.74 128.08 2kku s LYS 118 Ca 0.88 -0.61 -0.03 0.00 -1.56 0.00 0.00 55.97 54.66 2kku s LYS 118 Cb -0.39 -2.89 -0.03 0.00 -1.46 0.00 0.00 37.83 33.05 2kku s LYS 118 CO 0.39 0.55 0.02 0.15 0.16 0.00 0.00 175.35 176.62 2kku s LYS 119 N -2.82 3.15 -0.93 4.03 -0.14 -1.26 -1.29 119.74 120.49 2kku s LYS 119 Ca 0.33 -0.38 -0.20 0.00 -1.36 0.00 0.00 55.97 54.36 2kku s LYS 119 Cb -0.12 -2.88 0.11 0.00 -1.68 0.00 0.00 37.83 33.26 2kku s LYS 119 CO 0.26 0.65 1.19 0.71 -0.76 0.00 0.00 175.35 177.40 2kku s TYR 120 N -0.72 2.95 0.35 3.18 2.02 -0.60 -4.84 117.35 119.69 2kku s TYR 120 Ca 0.11 -1.20 0.04 0.00 -0.37 0.00 0.00 57.07 55.65 2kku s TYR 120 Cb -0.12 -4.38 0.64 0.00 -0.40 0.00 0.00 41.96 37.70 2kku s TYR 120 CO 0.02 -1.61 1.91 0.22 -1.57 0.00 0.00 175.55 174.53 2kku h ASP 121 N 9.11 0.52 -3.43 2.29 3.58 -1.97 -3.42 116.42 123.09 2kku h ASP 121 Ca 0.14 -0.08 -0.54 0.00 0.42 0.00 0.00 57.03 56.97 2kku h ASP 121 Cb 1.02 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 2kku h ASP 121 CO 1.19 0.53 0.11 -1.59 -2.88 0.00 0.00 179.24 176.60 2kku s LYS 122 N -5.11 4.45 -1.02 0.28 -2.85 -1.26 -5.02 119.74 109.20 2kku s LYS 122 Ca -0.08 1.02 -0.23 0.00 -1.00 0.00 0.00 55.97 55.68 2kku s LYS 122 Cb 0.16 -3.27 0.04 0.00 -2.06 0.00 0.00 37.83 32.70 2kku s LYS 122 CO 0.76 0.56 1.55 -1.25 0.10 0.00 0.00 175.35 177.07 2kku s PRO 123 N -1.01 3.45 0.08 1.78 0.04 -1.26 -4.99 135.00 133.09 2kku s PRO 123 Ca 0.34 -1.06 -0.31 0.00 0.04 0.00 0.00 61.00 60.01 2kku s PRO 123 Cb -0.22 -5.33 -0.06 0.00 0.04 0.00 0.00 34.50 28.93 2kku s PRO 123 CO 0.24 -2.41 1.26 0.42 0.04 0.00 0.00 177.00 176.55 2kku s ILE 124 N 5.76 3.77 0.30 0.56 1.01 -1.25 -4.92 121.20 126.44 2kku s ILE 124 Ca 0.50 1.28 -0.27 0.00 0.00 0.00 0.00 60.65 62.16 2kku s ILE 124 Cb -0.01 -3.82 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 2kku s ILE 124 CO -0.07 0.10 0.95 -1.59 0.00 0.00 0.00 174.94 174.33 2kku s LYS 125 N 1.01 4.66 0.52 2.79 0.00 -1.26 -2.73 119.74 124.73 2kku s LYS 125 Ca 0.60 1.40 -0.14 0.00 0.00 0.00 0.00 55.97 57.83 2kku s LYS 125 Cb -0.32 -2.95 -0.07 0.00 0.00 0.00 0.00 37.83 34.49 2kku s LYS 125 CO 0.30 0.34 0.96 -1.25 0.00 0.00 0.00 175.35 175.70 2kku s PRO 126 N -1.77 3.85 0.35 1.78 0.04 -1.26 -4.95 135.00 133.03 2kku s PRO 126 Ca 0.47 0.83 0.18 0.00 0.04 0.00 0.00 61.00 62.52 2kku s PRO 126 Cb -0.21 -2.17 0.52 0.00 0.04 0.00 0.00 34.50 32.68 2kku s PRO 126 CO 0.27 -0.30 1.66 0.87 0.04 0.00 0.00 177.00 179.54 2kku h LYS 127 N 0.70 0.00 -2.14 4.56 1.79 -1.98 -3.48 116.57 116.02 2kku h LYS 127 Ca -0.46 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 58.24 2kku h LYS 127 Cb 1.19 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.76 2kku h LYS 127 CO 0.62 0.41 0.65 -0.98 -1.08 0.00 0.00 179.45 179.07 2kku s ARG 128 N -3.43 0.94 0.10 3.15 1.70 -1.26 -5.13 118.95 115.02 2kku s ARG 128 Ca 0.01 -0.56 -0.31 0.00 -0.47 0.00 0.00 55.73 54.40 2kku s ARG 128 Cb 0.10 0.29 -0.08 0.00 -0.57 0.00 0.00 34.95 34.69 2kku s ARG 128 CO 0.70 -0.43 1.50 -0.48 -1.08 0.00 0.00 175.30 175.50 2kku s LEU 129 N -3.18 4.36 -0.48 -1.89 2.34 -1.26 -5.01 118.68 113.55 2kku s LEU 129 Ca 0.17 2.40 -0.15 0.00 0.06 0.00 0.00 54.13 56.62 2kku s LEU 129 Cb 0.00 -3.58 0.09 0.00 -0.56 0.00 0.00 46.19 42.14 2kku s LEU 129 CO 0.01 -0.76 0.40 -0.69 -1.06 0.00 0.00 176.35 174.26 2kku s VAL 130 N 1.65 5.07 1.00 1.48 1.01 -1.26 -5.00 120.40 124.35 2kku s VAL 130 Ca 0.68 -1.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 2kku s VAL 130 Cb -0.38 -4.11 0.25 0.00 0.00 0.00 0.00 36.38 32.14 2kku s VAL 130 CO 0.30 -0.65 0.85 -0.81 0.00 0.00 0.00 175.10 174.79 2kku n PRO 131 N 5.17 -2.87 0.27 2.72 -0.04 -1.26 -4.28 135.00 134.71 2kku n PRO 131 Ca -0.12 -1.37 0.11 0.00 -0.04 0.00 0.00 63.50 62.08 2kku n PRO 131 Cb 0.43 -1.32 0.74 0.00 -0.04 0.00 0.00 33.50 33.31 2kku n PRO 131 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2kku h VAL 132 N -2.56 0.76 0.00 0.52 -1.51 -2.00 0.06 116.25 111.52 2kku h VAL 132 Ca -0.33 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2kku h VAL 132 Cb 1.01 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2kku h VAL 132 CO 0.21 0.05 -0.13 1.23 -1.23 0.00 0.00 177.57 177.70 2kku h GLY 133 N 0.24 0.00 0.00 5.19 0.00 -1.98 -3.48 103.07 103.04 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 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2kku n GLY 134 N 1.29 -1.95 3.35 4.60 0.00 0.01 -4.94 105.19 107.55 2kku n GLY 134 Ca 0.05 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.08 1.60 -0.29 1.61 -1.52 -0.71 -4.71 119.66 113.57 2kku s GLN 135 Ca 0.00 -1.18 -0.23 0.00 -1.95 0.00 0.00 55.36 52.01 2kku s GLN 135 Cb 0.00 -1.88 -0.01 0.00 -0.22 0.00 0.00 33.01 30.90 2kku s GLN 135 CO 0.00 0.47 0.74 0.71 -0.25 0.00 0.00 175.29 176.96 2kku s TYR 136 N -0.90 3.24 -0.09 0.91 2.02 -1.26 -1.08 117.35 120.18 2kku s TYR 136 Ca 0.12 0.83 -0.25 0.00 -0.37 0.00 0.00 57.07 57.40 2kku s TYR 136 Cb -0.10 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 38.35 2kku s TYR 136 CO 0.03 -0.48 0.79 -1.17 -1.57 0.00 0.00 175.55 173.16 2kku s LEU 137 N 2.80 4.28 -0.02 -1.29 0.20 -0.58 -4.96 118.68 119.11 2kku s LEU 137 Ca 0.30 1.27 0.02 0.00 0.69 0.00 0.00 54.13 56.42 2kku s LEU 137 Cb -0.15 -3.22 0.00 0.00 -0.43 0.00 0.00 46.19 42.40 2kku s LEU 137 CO 0.11 -0.23 -0.08 0.00 -0.29 0.00 0.00 176.35 175.86 2kku s ARG 138 N 1.26 0.82 0.00 1.98 3.03 -1.26 -1.44 118.95 123.33 2kku s ARG 138 Ca 0.40 -0.28 0.00 0.00 2.03 0.00 0.00 55.73 57.89 2kku s ARG 138 Cb -0.18 -0.78 0.00 0.00 -1.03 0.00 0.00 34.95 32.96 2kku s ARG 138 CO 0.18 0.12 0.00 -1.91 -1.13 0.00 0.00 175.30 172.56