#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kku n SER 2 N 0.00 0.00 0.26 6.12 7.64 -1.26 -2.70 113.62 123.68 2kku n SER 2 Ca 0.00 0.34 0.11 0.00 1.01 0.00 0.00 58.87 60.33 2kku n SER 2 Cb 0.00 -0.43 0.69 0.00 -1.01 0.00 0.00 64.21 63.46 2kku n SER 2 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2kku h LYS 3 N 0.00 0.00 0.00 1.43 2.10 -2.00 -3.49 116.57 114.61 2kku h LYS 3 Ca 0.00 0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.72 2kku h LYS 3 Cb 0.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 2kku h LYS 3 CO 0.00 0.13 -0.10 -0.89 -2.00 0.00 0.00 179.45 176.59 2kku n ILE 4 N -3.82 0.00 0.00 0.07 2.08 -1.10 -4.95 119.36 111.65 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 0.23 -0.09 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 -2.16 0.00 -2.56 1.39 0.24 -0.72 -2.98 118.33 111.54 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 0.13 -0.14 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 0.22 1.97 3.29 7.63 0.00 -0.68 -1.54 105.19 116.07 2kku n GLY 6 Ca 0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.59 1.85 -0.09 1.61 0.11 -0.78 -1.22 120.40 119.28 2kku s VAL 7 Ca 0.00 -1.29 0.03 0.00 -2.93 0.00 0.00 61.98 57.79 2kku s VAL 7 Cb 0.00 -1.60 -0.01 0.00 -1.53 0.00 0.00 36.38 33.24 2kku s VAL 7 CO 0.00 0.25 -0.20 0.28 -3.33 0.00 0.00 175.10 172.10 2kku s THR 8 N -0.82 2.44 0.01 5.04 -1.32 -0.29 -1.84 115.64 118.86 2kku s THR 8 Ca 0.09 -0.90 0.04 0.00 -1.21 0.00 0.00 61.69 59.71 2kku s THR 8 Cb -0.09 -1.96 -0.01 0.00 -1.51 0.00 0.00 72.50 68.93 2kku s THR 8 CO 0.02 0.55 -0.11 -0.31 -2.21 0.00 0.00 174.62 172.57 2kku s TYR 9 N 0.13 0.97 -0.04 9.09 2.02 -0.98 -1.75 117.35 126.80 2kku s TYR 9 Ca -0.10 -0.24 0.31 0.00 -0.37 0.00 0.00 57.07 56.67 2kku s TYR 9 Cb -0.16 -0.61 1.26 0.00 -0.40 0.00 0.00 41.96 42.06 2kku s TYR 9 CO 0.06 -0.01 1.92 -1.00 -1.57 0.00 0.00 175.55 174.95 2kku h PRO 10 N 5.54 0.00 -6.23 -1.71 0.13 -1.79 0.13 132.00 128.07 2kku h PRO 10 Ca -0.33 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.49 2kku h PRO 10 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kku h PRO 10 CO 0.47 0.00 -0.69 -0.89 -0.23 0.00 0.00 178.00 176.67 2kku n ILE 11 N -2.91 -5.93 -1.28 -3.56 2.08 -1.26 -4.24 119.36 102.26 2kku n ILE 11 Ca 0.01 -0.11 -0.24 0.00 0.56 0.00 0.00 62.75 62.97 2kku n ILE 11 Cb 0.30 -4.45 -0.10 0.00 -0.75 0.00 0.00 39.64 34.64 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 -2.34 2.69 -3.97 0.38 -0.04 -1.26 -4.62 135.00 125.84 2kku n PRO 12 Ca -0.20 -1.80 -0.10 0.00 -0.04 0.00 0.00 63.50 61.36 2kku n PRO 12 Cb 0.62 -2.25 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 2kku n PRO 12 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kku s LYS 13 N 0.37 1.24 0.58 0.54 2.47 -1.26 -5.05 119.74 118.64 2kku s LYS 13 Ca 0.64 -1.21 0.27 0.00 -1.56 0.00 0.00 55.97 54.12 2kku s LYS 13 Cb 0.29 0.39 1.71 0.00 -1.46 0.00 0.00 37.83 38.77 2kku s LYS 13 CO -0.07 -0.47 2.21 -0.09 0.16 0.00 0.00 175.35 177.09 2kku h ARG 14 N 2.48 0.00 -0.51 4.03 2.43 -2.00 -3.14 114.38 117.67 2kku h ARG 14 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2kku h ARG 14 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2kku h ARG 14 CO 0.46 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 180.11 2kku n PHE 15 N -3.96 0.34 -0.13 2.20 3.72 -1.26 -3.88 117.46 114.50 2kku n PHE 15 Ca -0.02 -0.14 0.07 0.00 -0.05 0.00 0.00 57.45 57.31 2kku n PHE 15 Cb 0.12 -0.09 0.39 0.00 -0.94 0.00 0.00 39.48 38.97 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 0.95 0.64 0.00 -1.08 -0.00 -1.80 -2.85 114.93 110.78 2kku h MET 16 Ca 0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.70 59.61 2kku h MET 16 Cb 0.51 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 31.96 2kku h MET 16 CO 0.05 0.42 -0.23 -0.44 -0.00 0.00 0.00 176.91 176.71 2kku h ASP 17 N 0.65 0.00 -0.19 -0.10 5.19 -1.89 -3.35 116.42 116.73 2kku h ASP 17 Ca 0.28 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.74 2kku h ASP 17 Cb 0.25 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.71 2kku h ASP 17 CO -0.08 0.23 -0.15 0.03 -3.12 0.00 0.00 179.24 176.15 2kku h ARG 18 N 0.00 -0.15 -0.00 3.56 2.47 -1.81 0.14 114.38 118.58 2kku h ARG 18 Ca -0.00 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2kku h ARG 18 Cb 0.78 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2kku h ARG 18 CO 0.03 -0.10 -0.08 0.74 0.56 0.00 0.00 179.97 181.12 2kku h PHE 19 N -0.16 0.01 0.00 3.04 -1.00 -1.77 -1.97 116.94 115.09 2kku h PHE 19 Ca 0.12 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 2kku h PHE 19 Cb 0.33 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 2kku h PHE 19 CO -0.30 0.08 -1.20 1.19 -1.61 0.00 0.00 178.31 176.47 2kku n PHE 20 N -4.45 0.12 -0.01 -0.55 3.72 -0.80 -2.56 117.46 112.93 2kku n PHE 20 Ca -0.03 0.04 -0.03 0.00 -0.05 0.00 0.00 57.45 57.38 2kku n PHE 20 Cb 0.16 -0.31 -0.02 0.00 -0.94 0.00 0.00 39.48 38.36 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 -0.09 0.00 -1.08 3.11 -0.03 -3.39 116.57 115.09 2kku h LYS 21 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2kku h LYS 21 Cb 0.71 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 2kku h LYS 21 CO 0.00 0.05 -1.21 0.36 -2.81 0.00 0.00 179.45 175.84 2kku n LYS 22 N -4.83 0.50 0.00 1.90 2.85 -0.88 -4.97 118.16 112.73 2kku n LYS 22 Ca -0.02 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2kku n LYS 22 Cb 0.09 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 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 1.27 2.71 2.75 2.58 0.00 -1.06 -4.88 105.19 108.55 2kku n GLY 23 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.62 0.53 1.61 0.00 -1.26 -3.53 119.74 117.71 2kku s LYS 24 Ca 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 55.97 55.21 2kku s LYS 24 Cb 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 37.83 37.14 2kku s LYS 24 CO 0.00 -1.19 0.64 0.34 0.00 0.00 0.00 175.35 175.15 2kku s ASP 25 N 1.47 5.09 -0.20 0.03 2.15 -0.43 -4.81 116.67 119.96 2kku s ASP 25 Ca 0.16 -0.85 -0.02 0.00 0.43 0.00 0.00 52.55 52.28 2kku s ASP 25 Cb -0.16 0.09 0.06 0.00 -0.30 0.00 0.00 42.92 42.61 2kku s ASP 25 CO -0.05 -1.14 0.02 -0.69 -0.17 0.00 0.00 175.17 173.14 2kku s VAL 26 N -2.62 0.74 -0.42 1.11 1.01 0.24 -0.57 120.40 119.88 2kku s VAL 26 Ca 0.54 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 2kku s VAL 26 Cb -0.05 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.15 2kku s VAL 26 CO 0.34 -0.19 0.71 0.12 0.00 0.00 0.00 175.10 176.08 2kku s PHE 27 N 1.76 3.06 -0.02 5.22 5.36 0.01 -2.64 117.98 130.74 2kku s PHE 27 Ca -0.02 0.18 -0.10 0.00 -0.96 0.00 0.00 56.93 56.02 2kku s PHE 27 Cb -0.17 -3.43 -0.05 0.00 -0.34 0.00 0.00 43.02 39.02 2kku s PHE 27 CO -0.08 -0.85 0.31 0.14 -1.46 0.00 0.00 175.22 173.28 2kku s VAL 28 N 3.01 5.22 0.02 3.12 -7.23 -1.26 -1.15 120.40 122.12 2kku s VAL 28 Ca 0.27 0.47 0.03 0.00 -1.81 0.00 0.00 61.98 60.94 2kku s VAL 28 Cb -0.13 -3.59 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 2kku s VAL 28 CO 0.19 0.50 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.86 2kku s LYS 29 N -1.34 0.58 -0.22 4.82 -0.14 -0.51 -4.99 119.74 117.95 2kku s LYS 29 Ca 0.24 -0.51 -0.06 0.00 -1.36 0.00 0.00 55.97 54.28 2kku s LYS 29 Cb -0.14 -0.49 -0.22 0.00 -1.68 0.00 0.00 37.83 35.31 2kku s LYS 29 CO 0.12 0.12 3.20 -2.30 -0.76 0.00 0.00 175.35 175.73 2kku n PRO 30 N 2.20 2.00 -3.08 -1.68 -0.02 -1.26 -0.65 135.00 132.52 2kku n PRO 30 Ca -0.17 -1.06 -0.15 0.00 -2.02 0.00 0.00 63.50 60.09 2kku n PRO 30 Cb 0.56 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 2kku n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kku n ALA 31 N 2.74 -2.77 -0.13 3.55 0.00 -0.87 -4.74 120.51 118.29 2kku n ALA 31 Ca 0.43 0.76 -0.25 0.00 0.00 0.00 0.00 53.44 54.38 2kku n ALA 31 Cb 0.72 -2.99 -0.09 0.00 0.00 0.00 0.00 19.45 17.09 2kku n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kku n THR 32 N -0.58 1.39 -2.88 0.00 -1.04 -1.26 -5.01 114.28 104.89 2kku n THR 32 Ca 0.03 -0.39 -0.33 0.00 -2.04 0.00 0.00 64.05 61.32 2kku n THR 32 Cb 0.53 -1.74 -0.07 0.00 -1.82 0.00 0.00 70.33 67.23 2kku n THR 32 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2kku s VAL 33 N -2.47 4.47 0.00 12.58 -7.23 -1.26 -5.09 120.40 121.40 2kku s VAL 33 Ca -0.35 1.35 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 2kku s VAL 33 Cb 0.13 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.46 2kku s VAL 33 CO 0.47 -0.30 0.00 0.79 -0.31 0.00 0.00 175.10 175.75 2kku n TRP 34 N -0.61 -1.26 0.39 2.82 7.02 -1.26 -4.95 117.44 119.58 2kku n TRP 34 Ca 0.06 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.66 2kku n TRP 34 Cb 0.54 0.00 0.50 0.00 -2.42 0.00 0.00 31.31 29.93 2kku n TRP 34 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2kku n LYS 35 N -0.32 0.20 0.26 -0.99 4.76 -1.26 -3.23 118.16 117.58 2kku n LYS 35 Ca 0.00 0.44 0.12 0.00 -2.87 0.00 0.00 58.31 56.00 2kku n LYS 35 Cb 0.00 -1.89 0.70 0.00 -1.84 0.00 0.00 35.03 32.01 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2kku h GLU 36 N 0.00 0.00 -6.21 1.97 4.39 -2.01 -3.42 114.58 109.29 2kku h GLU 36 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2kku h GLU 36 Cb 0.35 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2kku h GLU 36 CO 0.00 0.13 1.29 -1.17 -1.16 0.00 0.00 179.01 178.10 2kku s LEU 37 N -7.22 3.62 0.03 1.33 1.98 -1.20 -4.98 118.68 112.25 2kku s LEU 37 Ca -0.02 1.59 0.00 0.00 -2.89 0.00 0.00 54.13 52.81 2kku s LEU 37 Cb 0.13 -3.52 -0.03 0.00 0.66 0.00 0.00 46.19 43.43 2kku s LEU 37 CO 0.59 -1.64 -0.04 -1.59 -1.89 0.00 0.00 176.35 171.78 2kku s LYS 38 N 5.55 0.44 -0.65 1.98 0.00 -1.26 -5.07 119.74 120.73 2kku s LYS 38 Ca 0.84 -0.81 -0.26 0.00 0.00 0.00 0.00 55.97 55.74 2kku s LYS 38 Cb -0.27 0.05 -0.02 0.00 0.00 0.00 0.00 37.83 37.59 2kku s LYS 38 CO 0.34 -0.04 1.79 -1.25 0.00 0.00 0.00 175.35 176.18 2kku s PRO 39 N -2.14 2.70 0.00 1.78 0.04 -1.26 -2.94 135.00 133.18 2kku s PRO 39 Ca -0.09 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2kku s PRO 39 Cb -0.05 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2kku s PRO 39 CO -0.03 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.72 2kku n GLY 40 N 5.75 0.22 3.76 0.56 0.00 -0.34 -4.90 105.19 110.24 2kku n GLY 40 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2kku n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kku s MET 41 N 0.00 -0.16 0.32 1.61 -1.94 -1.15 -4.82 119.30 113.17 2kku s MET 41 Ca 0.00 -0.16 0.07 0.00 -1.71 0.00 0.00 55.69 53.89 2kku s MET 41 Cb 0.00 -1.73 -0.02 0.00 2.01 0.00 0.00 34.83 35.09 2kku s MET 41 CO 0.00 -2.99 0.38 -1.59 -0.01 0.00 0.00 175.02 170.81 2kku s LYS 42 N -5.59 2.99 -0.30 2.03 -2.85 -0.59 -0.59 119.74 114.85 2kku s LYS 42 Ca 0.71 -1.09 -0.03 0.00 -1.00 0.00 0.00 55.97 54.56 2kku s LYS 42 Cb -0.08 -2.68 0.10 0.00 -2.06 0.00 0.00 37.83 33.11 2kku s LYS 42 CO 0.54 0.13 0.12 0.12 0.10 0.00 0.00 175.35 176.36 2kku s PHE 43 N -2.20 0.89 -0.24 1.78 2.19 -0.19 -1.86 117.98 118.35 2kku s PHE 43 Ca 0.42 -1.22 -0.21 0.00 0.33 0.00 0.00 56.93 56.24 2kku s PHE 43 Cb -0.08 -1.23 -0.02 0.00 -1.31 0.00 0.00 43.02 40.38 2kku s PHE 43 CO 0.29 -0.85 0.66 0.08 1.83 0.00 0.00 175.22 177.23 2kku s VAL 44 N 1.90 4.97 -0.49 3.12 1.01 -0.77 -0.55 120.40 129.59 2kku s VAL 44 Ca 0.09 1.22 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 2kku s VAL 44 Cb -0.16 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.29 2kku s VAL 44 CO -0.32 0.04 0.78 -0.36 0.00 0.00 0.00 175.10 175.23 2kku s PHE 45 N 2.39 2.95 0.84 5.22 0.08 0.02 -2.32 117.98 127.16 2kku s PHE 45 Ca 0.28 -0.09 -0.12 0.00 0.12 0.00 0.00 56.93 57.12 2kku s PHE 45 Cb -0.16 -3.72 0.10 0.00 -0.57 0.00 0.00 43.02 38.67 2kku s PHE 45 CO 0.09 -1.10 1.16 -0.47 -0.10 0.00 0.00 175.22 174.80 2kku s TYR 46 N 3.28 2.82 -0.11 0.36 5.04 0.03 -1.13 117.35 127.63 2kku s TYR 46 Ca 0.26 0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 55.65 2kku s TYR 46 Cb -0.14 -3.45 0.01 0.00 0.35 0.00 0.00 41.96 38.73 2kku s TYR 46 CO 0.19 -1.96 0.06 0.94 -1.34 0.00 0.00 175.55 173.44 2kku n GLN 47 N -3.46 -1.88 -0.22 4.97 7.27 0.99 -4.37 117.38 120.68 2kku n GLN 47 Ca 0.07 1.72 0.19 0.00 0.07 0.00 0.00 57.00 59.05 2kku n GLN 47 Cb 0.60 -2.92 0.52 0.00 2.41 0.00 0.00 30.24 30.86 2kku n GLN 47 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2kku h SER 48 N 1.65 0.38 0.00 1.69 4.64 -0.72 -3.35 113.55 117.84 2kku h SER 48 Ca -0.15 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2kku h SER 48 Cb 0.33 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2kku h SER 48 CO 0.02 0.16 0.00 1.57 -0.87 0.00 0.00 176.83 177.71 2kku n HIS 49 N -4.49 0.00 0.04 4.77 -0.00 -1.26 -4.59 115.22 109.69 2kku n HIS 49 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 2kku n HIS 49 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.66 2kku n HIS 49 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2kku n GLU 50 N 0.00 0.00 -2.98 1.57 4.07 -1.26 -5.13 120.64 116.91 2kku n GLU 50 Ca 0.00 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.88 2kku n GLU 50 Cb 0.00 -0.10 0.01 0.00 -0.06 0.00 0.00 31.44 31.30 2kku n GLU 50 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2kku s ASP 51 N -5.06 5.74 -0.04 4.31 2.15 -1.26 -5.04 116.67 117.47 2kku s ASP 51 Ca 0.00 0.16 -0.30 0.00 0.43 0.00 0.00 52.55 52.85 2kku s ASP 51 Cb 0.00 -1.36 -0.07 0.00 -0.30 0.00 0.00 42.92 41.19 2kku s ASP 51 CO 0.00 -0.75 1.80 0.42 -0.17 0.00 0.00 175.17 176.47 2kku s THR 52 N -2.55 3.35 0.00 1.71 -4.23 -1.26 -2.55 115.64 110.11 2kku s THR 52 Ca 0.50 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 2kku s THR 52 Cb -0.10 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2kku s THR 52 CO 0.37 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 2kku n GLY 53 N 4.43 3.21 3.71 3.99 0.00 -1.26 -4.84 105.19 114.43 2kku n GLY 53 Ca 0.19 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 3.61 0.12 1.61 0.08 0.19 -0.01 117.98 121.58 2kku s PHE 54 Ca 0.00 1.48 -0.04 0.00 0.12 0.00 0.00 56.93 58.49 2kku s PHE 54 Cb 0.00 -2.98 -0.14 0.00 -0.57 0.00 0.00 43.02 39.33 2kku s PHE 54 CO 0.00 0.02 1.26 -0.24 -0.10 0.00 0.00 175.22 176.16 2kku h VAL 55 N 4.80 1.43 -0.37 -0.44 3.04 -1.27 -3.42 116.25 120.02 2kku h VAL 55 Ca -0.40 -2.63 0.00 0.00 -1.01 0.00 0.00 66.70 62.66 2kku h VAL 55 Cb 1.20 2.58 0.00 0.00 -2.01 0.00 0.00 31.29 33.06 2kku h VAL 55 CO 0.76 0.78 0.00 0.61 -1.01 0.00 0.00 177.57 178.71 2kku n GLY 56 N 1.11 1.09 3.64 3.17 0.00 -1.08 -1.25 105.19 111.87 2kku n GLY 56 Ca -0.07 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 0.49 2.03 0.14 1.61 -1.05 -0.71 -0.80 118.70 120.41 2kku s GLU 57 Ca 0.00 -1.58 -0.05 0.00 -0.15 0.00 0.00 54.97 53.19 2kku s GLU 57 Cb 0.00 0.53 0.02 0.00 -0.44 0.00 0.00 34.13 34.24 2kku s GLU 57 CO 0.00 -0.89 0.27 0.00 0.95 0.00 0.00 175.26 175.58 2kku n ALA 58 N -0.54 -0.57 -3.95 -0.84 0.00 0.28 0.30 120.51 115.18 2kku n ALA 58 Ca -0.03 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 2kku n ALA 58 Cb 0.61 0.37 -0.17 0.00 0.00 0.00 0.00 19.45 20.26 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 -2.06 2.20 0.23 0.00 1.81 -0.30 -1.02 118.95 119.82 2kku s ARG 59 Ca 0.06 -0.53 -0.30 0.00 -1.72 0.00 0.00 55.73 53.25 2kku s ARG 59 Cb -0.02 -2.02 -0.09 0.00 -0.45 0.00 0.00 34.95 32.37 2kku s ARG 59 CO 0.05 -0.21 1.31 0.42 -0.68 0.00 0.00 175.30 176.18 2kku s ILE 60 N 1.44 3.10 0.25 1.52 1.01 0.24 -1.81 121.20 126.94 2kku s ILE 60 Ca 0.03 0.94 0.04 0.00 0.00 0.00 0.00 60.65 61.66 2kku s ILE 60 Cb -0.13 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 2kku s ILE 60 CO -0.09 0.16 0.14 0.29 0.00 0.00 0.00 174.94 175.44 2kku n LYS 61 N 2.23 0.48 -1.67 2.79 4.76 0.10 -1.19 118.16 125.66 2kku n LYS 61 Ca 0.05 -2.28 -0.59 0.00 -2.87 0.00 0.00 58.31 52.61 2kku n LYS 61 Cb 0.42 1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 35.08 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 -0.52 0.70 -3.24 1.97 1.85 -1.26 -2.72 116.66 113.45 2kku n ARG 62 Ca 0.01 0.26 -0.40 0.00 -1.00 0.00 0.00 57.85 56.71 2kku n ARG 62 Cb 0.41 -1.86 -0.08 0.00 -1.05 0.00 0.00 32.46 29.88 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 2.39 5.05 -0.46 8.89 -7.23 -1.26 -3.13 120.40 124.66 2kku s VAL 63 Ca 0.97 0.74 -0.22 0.00 -1.81 0.00 0.00 61.98 61.65 2kku s VAL 63 Cb -1.19 -3.87 0.03 0.00 0.56 0.00 0.00 36.38 31.91 2kku s VAL 63 CO 0.65 0.00 0.76 -0.69 -0.31 0.00 0.00 175.10 175.51 2kku s VAL 64 N 2.34 4.68 -0.30 1.32 1.01 -0.27 -4.85 120.40 124.33 2kku s VAL 64 Ca 0.21 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 2kku s VAL 64 Cb -0.15 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2kku s VAL 64 CO 0.10 -0.72 0.43 -0.76 0.00 0.00 0.00 175.10 174.15 2kku s LEU 65 N 3.20 4.20 -0.17 3.92 1.43 -1.26 -0.97 118.68 129.03 2kku s LEU 65 Ca 0.28 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 2kku s LEU 65 Cb -0.13 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.66 2kku s LEU 65 CO 0.21 -0.31 0.43 -0.55 0.23 0.00 0.00 176.35 176.36 2kku s SER 66 N 1.68 -0.50 0.35 2.29 0.15 -0.44 -5.02 113.70 112.20 2kku s SER 66 Ca 0.16 0.91 0.27 0.00 0.70 0.00 0.00 55.95 57.99 2kku s SER 66 Cb -0.16 0.85 1.13 0.00 -1.71 0.00 0.00 66.02 66.13 2kku s SER 66 CO 0.11 -0.18 1.80 -0.33 1.20 0.00 0.00 173.24 175.85 2kku h GLU 67 N 6.33 0.00 -5.16 5.44 5.08 -1.77 -1.13 114.58 123.36 2kku h GLU 67 Ca -0.32 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.41 2kku h GLU 67 Cb 1.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 2kku h GLU 67 CO 0.26 0.00 -0.20 -0.80 -1.00 0.00 0.00 179.01 177.27 2kku s ASN 68 N -4.67 6.27 0.57 1.42 0.01 -1.26 -4.37 114.94 112.90 2kku s ASN 68 Ca 0.03 0.25 0.35 0.00 -0.71 0.00 0.00 52.86 52.78 2kku s ASN 68 Cb 0.09 -2.22 1.62 0.00 0.41 0.00 0.00 41.25 41.15 2kku s ASN 68 CO 0.43 -0.23 2.09 1.55 -1.51 0.00 0.00 177.10 179.43 2kku h PRO 69 N 8.20 0.00 0.00 -0.60 0.13 -1.91 -3.13 132.00 134.69 2kku h PRO 69 Ca -0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 2kku h PRO 69 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kku h PRO 69 CO 0.66 0.03 -0.18 0.52 -0.23 0.00 0.00 178.00 178.81 2kku h MET 70 N 0.00 0.00 -0.56 0.86 2.86 -1.96 -2.86 114.93 113.27 2kku h MET 70 Ca -0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2kku h MET 70 Cb 0.37 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2kku h MET 70 CO 0.00 0.18 0.38 1.96 1.06 0.00 0.00 176.91 180.49 2kku h GLN 71 N 0.00 0.44 0.00 1.72 1.08 -1.95 -2.21 115.11 114.19 2kku h GLN 71 Ca -0.00 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.03 2kku h GLN 71 Cb 0.83 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 2kku h GLN 71 CO 0.02 0.29 -0.69 0.74 -0.95 0.00 0.00 178.83 178.25 2kku h PHE 72 N 0.45 0.00 0.00 2.96 0.04 -1.72 -1.68 116.94 116.98 2kku h PHE 72 Ca 0.25 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.94 2kku h PHE 72 Cb 0.40 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2kku h PHE 72 CO -0.00 0.69 -0.88 0.74 -0.60 0.00 0.00 178.31 178.26 2kku h PHE 73 N 0.00 0.00 0.00 -0.55 0.04 -1.54 -0.43 116.94 114.46 2kku h PHE 73 Ca -0.01 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 2kku h PHE 73 Cb 1.44 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.56 2kku h PHE 73 CO 0.00 0.31 -1.52 -0.85 -0.60 0.00 0.00 178.31 175.66 2kku n GLU 74 N -2.94 0.62 -0.06 1.51 0.28 -0.88 -3.12 120.64 116.05 2kku n GLU 74 Ca -0.02 0.25 -0.04 0.00 -0.16 0.00 0.00 57.16 57.19 2kku n GLU 74 Cb 0.69 -1.80 -0.03 0.00 1.43 0.00 0.00 31.44 31.73 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 0.00 0.31 0.00 3.84 2.02 -1.39 -3.45 112.91 114.24 2kku h THR 75 Ca -0.21 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.72 2kku h THR 75 Cb 1.74 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2kku h THR 75 CO 0.06 0.10 -0.09 0.49 0.37 0.00 0.00 175.52 176.46 2kku n PHE 76 N -4.70 0.03 0.00 3.16 3.72 -0.30 -4.99 117.46 114.38 2kku n PHE 76 Ca -0.05 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2kku n PHE 76 Cb 0.16 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 1.58 1.72 0.25 1.37 0.00 -0.46 -3.94 105.19 105.70 2kku n GLY 77 Ca -0.01 0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.41 2kku n GLY 77 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2kku h ASP 78 N 0.00 0.00 0.76 1.61 2.03 -1.90 -2.79 116.42 116.12 2kku h ASP 78 Ca 0.00 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.05 2kku h ASP 78 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2kku h ASP 78 CO 0.00 0.14 -1.22 0.03 -1.03 0.00 0.00 179.24 177.16 2kku h ARG 79 N 0.00 0.12 -7.01 4.15 2.47 -1.88 -3.47 114.38 108.77 2kku h ARG 79 Ca -0.00 -0.21 -0.51 0.00 -1.26 0.00 0.00 59.98 57.99 2kku h ARG 79 Cb 0.51 0.08 0.07 0.00 -1.65 0.00 0.00 29.97 28.99 2kku h ARG 79 CO 0.02 1.05 0.50 0.08 0.56 0.00 0.00 179.97 182.18 2kku s VAL 80 N -2.67 2.97 0.45 2.04 1.01 -1.06 -0.60 120.40 122.56 2kku s VAL 80 Ca -0.03 0.73 0.22 0.00 0.00 0.00 0.00 61.98 62.90 2kku s VAL 80 Cb 0.08 -3.37 0.25 0.00 0.00 0.00 0.00 36.38 33.34 2kku s VAL 80 CO 0.85 -0.01 2.06 2.19 0.00 0.00 0.00 175.10 180.19 2kku h PHE 81 N 1.99 0.00 -1.22 5.22 -5.15 -1.81 -3.44 116.94 112.52 2kku h PHE 81 Ca -0.50 0.00 -0.63 0.00 -0.20 0.00 0.00 57.97 56.64 2kku h PHE 81 Cb 1.25 0.00 -0.13 0.00 0.22 0.00 0.00 35.95 37.29 2kku h PHE 81 CO 0.52 0.13 -0.53 -0.48 -2.00 0.00 0.00 178.31 175.95 2kku s LEU 82 N -7.95 2.30 0.45 2.10 2.34 -1.26 -4.77 118.68 111.89 2kku s LEU 82 Ca -0.04 -1.60 0.07 0.00 0.06 0.00 0.00 54.13 52.62 2kku s LEU 82 Cb 0.15 -0.59 -0.01 0.00 -0.56 0.00 0.00 46.19 45.18 2kku s LEU 82 CO 0.63 -0.80 0.37 0.28 -1.06 0.00 0.00 176.35 175.78 2kku s THR 83 N -2.95 2.34 0.30 5.48 -1.32 -1.26 -4.94 115.64 113.28 2kku s THR 83 Ca 0.16 -1.42 0.22 0.00 -1.21 0.00 0.00 61.69 59.44 2kku s THR 83 Cb 0.03 -2.75 0.21 0.00 -1.51 0.00 0.00 72.50 68.48 2kku s THR 83 CO 0.09 0.00 1.91 0.50 -2.21 0.00 0.00 174.62 174.90 2kku h LYS 84 N 0.98 0.00 -0.40 7.08 3.64 -1.96 -0.93 116.57 124.99 2kku h LYS 84 Ca -0.40 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.86 2kku h LYS 84 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2kku h LYS 84 CO 0.58 0.24 -0.24 0.22 -2.27 0.00 0.00 179.45 177.98 2kku h ASP 85 N 0.00 0.90 -0.14 4.20 1.82 -2.00 -1.08 116.42 120.12 2kku h ASP 85 Ca -0.00 -0.42 -0.09 0.00 -0.39 0.00 0.00 57.03 56.12 2kku h ASP 85 Cb 0.59 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 2kku h ASP 85 CO 0.03 1.13 -0.19 -0.33 -1.61 0.00 0.00 179.24 178.26 2kku h GLU 86 N 0.68 0.56 0.42 0.28 4.39 -1.82 -3.03 114.58 116.05 2kku h GLU 86 Ca 0.08 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 2kku h GLU 86 Cb 0.81 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2kku h GLU 86 CO 0.07 0.72 -0.20 1.25 -1.16 0.00 0.00 179.01 179.69 2kku h LEU 87 N 0.50 -0.47 -0.64 1.33 5.85 -0.99 -1.50 115.31 119.38 2kku h LEU 87 Ca 0.08 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2kku h LEU 87 Cb 0.62 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2kku h LEU 87 CO 0.04 -0.31 0.40 0.07 -0.34 0.00 0.00 178.44 178.31 2kku h LYS 88 N -0.60 0.87 0.00 1.25 5.09 -1.16 -1.39 116.57 120.62 2kku h LYS 88 Ca -0.06 -0.07 -0.17 0.00 0.09 0.00 0.00 60.65 60.44 2kku h LYS 88 Cb 0.45 -0.19 -0.02 0.00 0.10 0.00 0.00 32.23 32.57 2kku h LYS 88 CO 0.09 0.61 -0.83 1.05 -2.09 0.00 0.00 179.45 178.28 2kku h GLU 89 N 0.87 0.00 -0.54 0.07 4.11 -1.60 -2.70 114.58 114.79 2kku h GLU 89 Ca 0.23 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.65 2kku h GLU 89 Cb -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2kku h GLU 89 CO -0.05 0.83 0.27 -0.92 0.07 0.00 0.00 179.01 179.21 2kku h TYR 90 N 0.00 0.77 -0.34 2.06 3.20 -0.75 0.22 116.97 122.14 2kku h TYR 90 Ca -0.01 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.71 2kku h TYR 90 Cb 1.50 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 2kku h TYR 90 CO 0.00 0.59 -0.27 0.52 -1.64 0.00 0.00 178.16 177.36 2kku h MET 91 N 0.73 0.70 0.00 1.82 2.86 -1.27 -1.33 114.93 118.44 2kku h MET 91 Ca 0.19 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 2kku h MET 91 Cb 0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2kku h MET 91 CO -0.03 0.90 -0.39 0.87 1.06 0.00 0.00 176.91 179.32 2kku h LYS 92 N 0.60 0.00 -0.16 1.72 1.79 -1.19 -2.93 116.57 116.40 2kku h LYS 92 Ca 0.08 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.37 2kku h LYS 92 Cb 0.77 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2kku h LYS 92 CO 0.06 0.39 -0.63 0.77 -1.08 0.00 0.00 179.45 178.96 2kku h SER 93 N 0.00 0.67 -0.55 0.86 0.02 -0.06 -2.70 113.55 111.79 2kku h SER 93 Ca -0.00 -0.39 -0.07 0.00 -0.84 0.00 0.00 61.79 60.48 2kku h SER 93 Cb 0.75 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 2kku h SER 93 CO 0.05 1.13 0.08 1.56 -1.14 0.00 0.00 176.83 178.52 2kku h GLN 94 N 0.43 0.96 0.00 3.45 1.08 -1.08 -1.07 115.11 118.88 2kku h GLN 94 Ca -0.01 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2kku h GLN 94 Cb 1.20 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2kku h GLN 94 CO 0.12 0.90 -0.53 1.05 -0.95 0.00 0.00 178.83 179.42 2kku h GLU 95 N 0.91 0.00 0.00 1.46 4.11 -1.56 0.34 114.58 119.84 2kku h GLU 95 Ca 0.18 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.52 2kku h GLU 95 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2kku h GLU 95 CO 0.01 0.00 -1.74 2.89 0.07 0.00 0.00 179.01 180.24 2kku n ARG 96 N -2.46 0.65 -0.05 1.06 1.85 -1.02 -3.95 116.66 112.73 2kku n ARG 96 Ca 0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 57.85 56.80 2kku n ARG 96 Cb 0.48 -1.64 -0.07 0.00 -1.05 0.00 0.00 32.46 30.19 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 -2.55 0.00 0.00 2.89 5.03 -0.42 -5.05 117.44 117.35 2kku n TRP 97 Ca -0.09 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.44 2kku n TRP 97 Cb 0.71 -0.46 0.00 0.00 -1.03 0.00 0.00 31.31 30.54 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 1.12 3.33 6.99 0.00 -0.37 -4.99 105.19 113.90 2kku n GLY 98 Ca -0.17 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2kku n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kku n ARG 99 N 0.00 2.85 -2.37 1.61 1.85 0.11 -4.87 116.66 115.85 2kku n ARG 99 Ca 0.00 -2.94 -0.41 0.00 -1.00 0.00 0.00 57.85 53.50 2kku n ARG 99 Cb 0.00 -3.44 -0.03 0.00 -1.05 0.00 0.00 32.46 27.94 2kku n ARG 99 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2kku s ARG 100 N 4.23 4.48 0.25 2.89 3.52 -1.25 -4.13 118.95 128.94 2kku s ARG 100 Ca 0.54 1.88 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 2kku s ARG 100 Cb 0.07 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 2kku s ARG 100 CO 0.04 -0.10 0.00 -2.13 -0.81 0.00 0.00 175.30 172.30 2kku n ARG 101 N 2.52 -1.66 -2.39 5.12 0.63 -1.26 -4.91 116.66 114.71 2kku n ARG 101 Ca 0.04 1.09 -0.19 0.00 -0.92 0.00 0.00 57.85 57.88 2kku n ARG 101 Cb 0.45 -2.03 -0.01 0.00 0.45 0.00 0.00 32.46 31.32 2kku n ARG 101 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kku n GLU 102 N -2.86 -1.83 -3.43 -0.14 4.71 -1.26 -4.94 120.64 110.89 2kku n GLU 102 Ca 0.01 0.90 -0.39 0.00 -0.01 0.00 0.00 57.16 57.67 2kku n GLU 102 Cb 0.38 -5.55 -0.04 0.00 -1.01 0.00 0.00 31.44 25.22 2kku n GLU 102 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 2kku n SER 103 N -1.94 4.91 0.03 1.62 7.64 -1.26 -4.75 113.62 119.87 2kku n SER 103 Ca -0.22 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.48 2kku n SER 103 Cb 0.67 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2kku n SER 103 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kku n LYS 104 N 2.13 0.00 -2.44 1.43 3.00 -1.26 -5.08 118.16 115.93 2kku n LYS 104 Ca 0.24 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.19 2kku n LYS 104 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 35.03 35.17 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 -1.46 3.90 1.23 1.64 2.20 -1.26 -5.04 119.74 120.95 2kku s LYS 105 Ca 0.00 1.55 -0.20 0.00 -0.36 0.00 0.00 55.97 56.96 2kku s LYS 105 Cb 0.00 -2.35 0.30 0.00 -1.51 0.00 0.00 37.83 34.27 2kku s LYS 105 CO 0.00 -0.38 1.11 -1.59 -0.36 0.00 0.00 175.35 174.13 2kku s LYS 106 N -2.79 -1.48 0.02 4.03 0.00 -1.26 -5.10 119.74 113.16 2kku s LYS 106 Ca 0.63 -0.15 0.01 0.00 0.00 0.00 0.00 55.97 56.46 2kku s LYS 106 Cb -0.23 -1.57 -0.02 0.00 0.00 0.00 0.00 37.83 36.01 2kku s LYS 106 CO 0.28 -3.86 -0.04 0.21 0.00 0.00 0.00 175.35 171.93 2kku s LYS 107 N -5.47 0.36 -0.53 1.78 2.47 -1.26 -5.11 119.74 111.98 2kku s LYS 107 Ca 0.72 -0.55 -0.28 0.00 -1.56 0.00 0.00 55.97 54.30 2kku s LYS 107 Cb -0.08 -0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.20 2kku s LYS 107 CO 0.56 0.00 1.58 -1.17 0.16 0.00 0.00 175.35 176.48 2kku s LEU 108 N -1.21 3.40 0.45 5.43 1.98 -1.26 -4.31 118.68 123.16 2kku s LEU 108 Ca -0.11 0.48 -0.10 0.00 -2.89 0.00 0.00 54.13 51.52 2kku s LEU 108 Cb -0.08 -3.03 -0.06 0.00 0.66 0.00 0.00 46.19 43.68 2kku s LEU 108 CO -0.00 -1.85 0.82 0.26 -1.89 0.00 0.00 176.35 173.69 2kku s TRP 109 N 6.85 3.50 -0.03 5.38 0.52 -0.43 -2.05 118.94 132.68 2kku s TRP 109 Ca 0.60 1.08 -0.01 0.00 0.02 0.00 0.00 56.10 57.80 2kku s TRP 109 Cb -0.13 -2.49 0.03 0.00 -1.15 0.00 0.00 33.47 29.73 2kku s TRP 109 CO 0.26 -0.22 0.06 0.00 0.02 0.00 0.00 176.95 177.06 2kku s MET 110 N -4.14 0.00 -0.40 4.98 0.23 0.18 -1.33 119.30 118.81 2kku s MET 110 Ca 0.52 0.21 -0.05 0.00 -1.03 0.00 0.00 55.69 55.34 2kku s MET 110 Cb -0.10 -0.20 0.10 0.00 -1.53 0.00 0.00 34.83 33.10 2kku s MET 110 CO 0.36 -0.15 0.21 0.00 -2.03 0.00 0.00 175.02 173.41 2kku s ALA 111 N 0.95 3.17 -0.17 3.16 0.00 -0.15 -1.42 121.76 127.30 2kku s ALA 111 Ca -0.08 -2.36 -0.27 0.00 0.00 0.00 0.00 51.96 49.25 2kku s ALA 111 Cb -0.11 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 2kku s ALA 111 CO -0.03 -1.71 0.94 0.42 0.00 0.00 0.00 175.76 175.37 2kku s ILE 112 N 1.24 4.80 0.01 0.00 1.01 -0.30 -1.11 121.20 126.85 2kku s ILE 112 Ca 0.05 1.85 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 2kku s ILE 112 Cb -0.23 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 2kku s ILE 112 CO -0.02 -0.04 0.93 -0.70 0.00 0.00 0.00 174.94 175.10 2kku s GLU 113 N 2.46 4.56 -0.24 2.79 2.12 -1.10 -0.81 118.70 128.48 2kku s GLU 113 Ca 0.42 1.33 0.01 0.00 0.36 0.00 0.00 54.97 57.09 2kku s GLU 113 Cb -0.16 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.83 2kku s GLU 113 CO 0.12 0.03 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.26 2kku s LEU 114 N 0.74 3.15 0.50 2.70 2.01 0.26 0.03 118.68 128.06 2kku s LEU 114 Ca 0.48 -1.08 0.04 0.00 0.01 0.00 0.00 54.13 53.58 2kku s LEU 114 Cb -0.21 -1.58 -0.01 0.00 0.01 0.00 0.00 46.19 44.40 2kku s LEU 114 CO 0.27 -0.14 0.19 -1.83 1.01 0.00 0.00 176.35 175.85 2kku s GLU 115 N 1.22 2.22 -1.38 1.70 -1.05 -0.75 -1.32 118.70 119.33 2kku s GLU 115 Ca -0.03 -2.12 -0.05 0.00 -0.15 0.00 0.00 54.97 52.62 2kku s GLU 115 Cb -0.18 -1.85 0.03 0.00 -0.44 0.00 0.00 34.13 31.69 2kku s GLU 115 CO -0.06 -0.38 0.81 -3.47 0.95 0.00 0.00 175.26 173.11 2kku n ASP 116 N -1.43 -2.54 -4.58 0.83 2.03 -1.24 -1.14 116.55 108.47 2kku n ASP 116 Ca -0.08 -0.80 -0.42 0.00 0.52 0.00 0.00 54.79 54.02 2kku n ASP 116 Cb 0.65 -4.04 -0.03 0.00 -0.72 0.00 0.00 41.12 36.99 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 -3.54 3.75 0.47 5.18 1.01 -1.23 -4.16 120.40 121.87 2kku s VAL 117 Ca 0.24 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 2kku s VAL 117 Cb -0.12 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 2kku s VAL 117 CO 0.81 -0.94 0.87 -0.75 0.00 0.00 0.00 175.10 175.09 2kku s LYS 118 N 5.50 3.80 -0.17 2.72 2.47 0.15 -4.96 119.74 129.26 2kku s LYS 118 Ca 0.59 0.64 -0.00 0.00 -1.56 0.00 0.00 55.97 55.64 2kku s LYS 118 Cb -0.13 -2.28 0.00 0.00 -1.46 0.00 0.00 37.83 33.97 2kku s LYS 118 CO 0.28 -0.17 -0.15 0.15 0.16 0.00 0.00 175.35 175.61 2kku s LYS 119 N -4.11 3.18 -0.71 4.03 -0.14 -1.26 -1.74 119.74 118.99 2kku s LYS 119 Ca 0.54 -0.75 -0.26 0.00 -1.36 0.00 0.00 55.97 54.13 2kku s LYS 119 Cb -0.10 -2.65 -0.00 0.00 -1.68 0.00 0.00 37.83 33.39 2kku s LYS 119 CO 0.34 -0.06 1.63 0.71 -0.76 0.00 0.00 175.35 177.22 2kku s TYR 120 N 0.99 1.95 0.34 3.18 1.51 -0.38 -4.82 117.35 120.13 2kku s TYR 120 Ca -0.02 0.37 0.04 0.00 -1.01 0.00 0.00 57.07 56.44 2kku s TYR 120 Cb -0.15 -4.32 0.63 0.00 -0.11 0.00 0.00 41.96 38.01 2kku s TYR 120 CO -0.03 -2.15 1.92 0.22 -1.11 0.00 0.00 175.55 174.40 2kku h ASP 121 N 12.53 0.57 -3.18 2.29 3.58 -1.91 -3.44 116.42 126.86 2kku h ASP 121 Ca -0.20 -0.07 -0.59 0.00 0.42 0.00 0.00 57.03 56.59 2kku h ASP 121 Cb 1.10 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.95 2kku h ASP 121 CO 1.25 0.54 -0.11 -1.59 -2.88 0.00 0.00 179.24 176.46 2kku s LYS 122 N -5.22 4.13 -1.30 0.28 -2.85 -1.26 -5.02 119.74 108.49 2kku s LYS 122 Ca -0.08 0.58 -0.15 0.00 -1.00 0.00 0.00 55.97 55.32 2kku s LYS 122 Cb 0.16 -3.27 0.10 0.00 -2.06 0.00 0.00 37.83 32.76 2kku s LYS 122 CO 0.76 0.56 1.77 -0.35 0.10 0.00 0.00 175.35 178.19 2kku n PRO 123 N 2.13 3.23 -2.96 1.78 -0.04 -1.26 -4.84 135.00 133.04 2kku n PRO 123 Ca -0.11 -3.33 -0.40 0.00 -0.04 0.00 0.00 63.50 59.62 2kku n PRO 123 Cb 0.51 -3.27 -0.04 0.00 -0.04 0.00 0.00 33.50 30.66 2kku n PRO 123 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kku s ILE 124 N 2.89 4.90 0.20 0.52 1.01 -1.26 -4.90 121.20 124.55 2kku s ILE 124 Ca 0.48 1.62 0.04 0.00 0.00 0.00 0.00 60.65 62.79 2kku s ILE 124 Cb 0.05 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 2kku s ILE 124 CO 0.02 0.28 0.32 -0.54 0.00 0.00 0.00 174.94 175.01 2kku s LYS 125 N 0.53 3.41 1.12 2.79 3.01 -1.26 -0.63 119.74 128.70 2kku s LYS 125 Ca 0.41 -0.70 -0.18 0.00 -1.01 0.00 0.00 55.97 54.49 2kku s LYS 125 Cb -0.19 -2.91 0.25 0.00 -1.01 0.00 0.00 37.83 33.97 2kku s LYS 125 CO 0.22 0.47 1.17 -2.14 0.51 0.00 0.00 175.35 175.58 2kku s PRO 126 N -3.62 -0.55 0.00 -1.68 0.02 -1.26 -4.97 135.00 122.94 2kku s PRO 126 Ca 0.34 -0.15 0.24 0.00 0.02 0.00 0.00 61.00 61.45 2kku s PRO 126 Cb -0.10 -1.68 0.59 0.00 0.02 0.00 0.00 34.50 33.33 2kku s PRO 126 CO 0.29 -3.25 1.48 1.63 -0.33 0.00 0.00 177.00 176.81 2kku n LYS 127 N -4.42 2.07 -3.84 5.54 4.01 -1.26 -4.95 118.16 115.31 2kku n LYS 127 Ca 0.13 -1.59 -0.07 0.00 -0.51 0.00 0.00 58.31 56.27 2kku n LYS 127 Cb 0.59 -1.46 0.03 0.00 -0.51 0.00 0.00 35.03 33.68 2kku n LYS 127 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2kku s ARG 128 N -1.80 1.90 0.00 1.97 1.70 -1.26 -5.15 118.95 116.31 2kku s ARG 128 Ca 0.34 -1.24 -0.29 0.00 -0.47 0.00 0.00 55.73 54.07 2kku s ARG 128 Cb 0.20 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 35.07 2kku s ARG 128 CO 0.30 -0.89 0.94 -1.17 -1.08 0.00 0.00 175.30 173.40 2kku s LEU 129 N -3.24 4.37 -0.59 -1.89 1.98 -1.26 -5.03 118.68 113.02 2kku s LEU 129 Ca 0.19 1.61 -0.11 0.00 -2.89 0.00 0.00 54.13 52.94 2kku s LEU 129 Cb -0.04 -3.51 0.15 0.00 0.66 0.00 0.00 46.19 43.45 2kku s LEU 129 CO 0.09 -0.23 0.48 -0.69 -1.89 0.00 0.00 176.35 174.12 2kku s VAL 130 N 0.90 4.65 0.79 1.68 1.01 -1.26 -4.95 120.40 123.22 2kku s VAL 130 Ca 0.50 -2.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.29 2kku s VAL 130 Cb -0.21 -3.99 0.19 0.00 0.00 0.00 0.00 36.38 32.38 2kku s VAL 130 CO 0.27 -0.87 0.79 -0.81 0.00 0.00 0.00 175.10 174.48 2kku n PRO 131 N 4.56 -2.05 -0.06 2.72 -0.04 -1.26 -4.57 135.00 134.29 2kku n PRO 131 Ca -0.02 -1.24 0.02 0.00 -0.04 0.00 0.00 63.50 62.22 2kku n PRO 131 Cb 0.42 -1.07 0.36 0.00 -0.04 0.00 0.00 33.50 33.17 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 -2.13 1.14 0.00 0.52 2.07 -2.00 -0.45 116.25 115.41 2kku h VAL 132 Ca -0.28 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2kku h VAL 132 Cb 0.84 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2kku h VAL 132 CO 0.19 0.14 -0.14 1.23 0.02 0.00 0.00 177.57 179.01 2kku h GLY 133 N 0.72 0.00 0.00 2.17 0.00 -1.99 -3.47 103.07 100.50 2kku h GLY 133 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2kku h GLY 133 CO -0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.12 2kku n GLY 134 N -0.44 -1.54 3.39 4.60 0.00 -0.18 -4.95 105.19 106.07 2kku n GLY 134 Ca -0.01 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.49 1.97 -0.40 1.61 -1.52 -0.71 -4.75 119.66 113.36 2kku s GLN 135 Ca 0.00 -1.02 -0.29 0.00 -1.95 0.00 0.00 55.36 52.10 2kku s GLN 135 Cb 0.00 -2.08 0.02 0.00 -0.22 0.00 0.00 33.01 30.73 2kku s GLN 135 CO 0.00 0.53 1.13 0.71 -0.25 0.00 0.00 175.29 177.41 2kku s TYR 136 N -0.81 2.93 -0.20 0.91 2.02 -1.26 -1.14 117.35 119.80 2kku s TYR 136 Ca 0.12 0.92 -0.28 0.00 -0.37 0.00 0.00 57.07 57.47 2kku s TYR 136 Cb -0.10 -4.11 -0.00 0.00 -0.40 0.00 0.00 41.96 37.35 2kku s TYR 136 CO 0.03 -1.11 0.96 -1.17 -1.57 0.00 0.00 175.55 172.69 2kku s LEU 137 N 4.15 4.13 0.03 -1.29 0.20 -0.36 -4.92 118.68 120.63 2kku s LEU 137 Ca 0.48 1.30 0.04 0.00 0.69 0.00 0.00 54.13 56.64 2kku s LEU 137 Cb -0.10 -3.42 -0.02 0.00 -0.43 0.00 0.00 46.19 42.22 2kku s LEU 137 CO 0.25 -0.56 -0.13 0.00 -0.29 0.00 0.00 176.35 175.62 2kku s ARG 138 N 2.77 0.87 0.00 1.98 3.03 -1.26 -1.69 118.95 124.65 2kku s ARG 138 Ca 0.42 -0.68 0.30 0.00 2.03 0.00 0.00 55.73 57.79 2kku s ARG 138 Cb -0.16 -0.85 1.39 0.00 -1.03 0.00 0.00 34.95 34.30 2kku s ARG 138 CO 0.09 0.21 1.93 -1.91 -1.13 0.00 0.00 175.30 174.50