#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 0.56 0.27 6.12 2.88 -1.26 -2.07 113.62 120.13 2kku n SER 2 Ca 0.00 0.70 0.13 0.00 -1.33 0.00 0.00 58.87 58.36 2kku n SER 2 Cb 0.00 -0.79 0.78 0.00 -0.75 0.00 0.00 64.21 63.45 2kku n SER 2 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2kku h LYS 3 N 0.00 0.00 0.00 -1.46 2.10 -2.01 -3.49 116.57 111.71 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 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2kku h LYS 3 CO 0.00 0.07 0.00 -0.89 -2.00 0.00 0.00 179.45 176.63 2kku n ILE 4 N -3.87 0.00 0.00 0.07 2.08 -0.88 -4.94 119.36 111.83 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 0.16 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.05 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 -1.53 0.00 -2.63 1.39 0.24 -0.60 -2.93 118.33 112.28 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 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 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 0.62 1.77 3.29 7.63 0.00 -0.60 -1.68 105.19 116.22 2kku n GLY 6 Ca 0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.50 1.53 -0.04 1.61 0.11 -0.94 -1.26 120.40 118.92 2kku s VAL 7 Ca 0.00 -1.89 0.05 0.00 -2.93 0.00 0.00 61.98 57.21 2kku s VAL 7 Cb 0.00 -1.74 -0.01 0.00 -1.53 0.00 0.00 36.38 33.11 2kku s VAL 7 CO 0.00 -0.44 -0.18 0.28 -3.33 0.00 0.00 175.10 171.43 2kku s THR 8 N -2.35 1.48 -0.01 5.04 -1.32 -0.02 -1.26 115.64 117.20 2kku s THR 8 Ca 0.14 -0.75 0.03 0.00 -1.21 0.00 0.00 61.69 59.89 2kku s THR 8 Cb -0.04 -1.27 -0.01 0.00 -1.51 0.00 0.00 72.50 69.68 2kku s THR 8 CO 0.05 0.43 -0.10 -0.31 -2.21 0.00 0.00 174.62 172.47 2kku s TYR 9 N -0.03 0.89 0.20 9.09 1.51 -1.06 -1.78 117.35 126.17 2kku s TYR 9 Ca -0.02 -0.18 0.18 0.00 -1.01 0.00 0.00 57.07 56.03 2kku s TYR 9 Cb -0.11 -0.59 0.66 0.00 -0.11 0.00 0.00 41.96 41.82 2kku s TYR 9 CO 0.02 -0.03 1.73 -1.00 -1.11 0.00 0.00 175.55 175.16 2kku h PRO 10 N 5.98 0.00 -3.42 -1.71 0.13 -1.78 -0.62 132.00 130.58 2kku h PRO 10 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.49 0.40 -0.65 -0.89 -0.23 0.00 0.00 178.00 177.12 2kku n ILE 11 N -3.60 -9.88 0.25 -3.56 5.41 -1.26 -4.70 119.36 102.02 2kku n ILE 11 Ca -0.00 2.29 0.15 0.00 1.00 0.00 0.00 62.75 66.19 2kku n ILE 11 Cb 0.51 -4.61 0.77 0.00 -0.71 0.00 0.00 39.64 35.59 2kku n ILE 11 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2kku h PRO 12 N 2.92 0.00 0.00 0.38 0.13 -1.96 -3.44 132.00 130.03 2kku h PRO 12 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 2kku h PRO 12 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 2kku h PRO 12 CO 0.00 0.00 -0.31 1.63 -0.23 0.00 0.00 178.00 179.09 2kku n LYS 13 N -2.55 0.69 0.00 0.86 5.02 -1.26 -5.04 118.16 115.88 2kku n LYS 13 Ca -0.01 -2.31 0.04 0.00 -2.02 0.00 0.00 58.31 54.00 2kku n LYS 13 Cb 0.09 1.26 0.23 0.00 -0.02 0.00 0.00 35.03 36.59 2kku n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kku n ARG 14 N -0.61 0.75 0.00 1.97 5.12 -1.26 -4.03 116.66 118.59 2kku n ARG 14 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2kku n ARG 14 Cb 0.41 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 2kku n ARG 14 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2kku n PHE 15 N -0.66 0.00 0.07 -1.55 3.72 -1.26 -3.01 117.46 114.76 2kku n PHE 15 Ca 0.06 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.49 2kku n PHE 15 Cb 0.03 -0.04 0.41 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.05 0.38 0.00 -1.08 -0.00 -1.91 -3.15 114.93 109.22 2kku h MET 16 Ca 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.70 59.59 2kku h MET 16 Cb 0.22 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.75 2kku h MET 16 CO 0.00 0.37 -0.25 0.38 -0.00 0.00 0.00 176.91 177.40 2kku h ASP 17 N 0.38 0.00 -0.37 -0.10 2.03 -1.91 -3.18 116.42 113.27 2kku h ASP 17 Ca 0.09 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.46 2kku h ASP 17 Cb 0.17 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.60 2kku h ASP 17 CO -0.00 0.25 -0.03 0.03 -1.03 0.00 0.00 179.24 178.46 2kku h ARG 18 N 0.00 0.06 -0.08 4.15 2.47 -1.81 0.13 114.38 119.29 2kku h ARG 18 Ca -0.00 -0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 2kku h ARG 18 Cb 0.63 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.93 2kku h ARG 18 CO 0.03 0.04 -0.18 0.74 0.56 0.00 0.00 179.97 181.16 2kku h PHE 19 N 0.06 0.14 0.00 3.04 -1.00 -1.75 -2.20 116.94 115.23 2kku h PHE 19 Ca 0.18 -0.02 -0.17 0.00 2.81 0.00 0.00 57.97 60.78 2kku h PHE 19 Cb 0.26 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 2kku h PHE 19 CO -0.28 0.31 -1.12 0.74 -1.61 0.00 0.00 178.31 176.35 2kku h PHE 20 N 0.13 0.00 0.16 -0.55 0.04 -1.53 -1.90 116.94 113.28 2kku h PHE 20 Ca 0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2kku h PHE 20 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 2kku h PHE 20 CO 0.00 0.66 -0.07 -0.22 -0.60 0.00 0.00 178.31 178.08 2kku h LYS 21 N 0.00 -0.20 0.00 1.51 3.11 -0.19 -3.36 116.57 117.44 2kku h LYS 21 Ca -0.11 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2kku h LYS 21 Cb 1.60 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.88 2kku h LYS 21 CO 0.07 0.17 -1.67 0.36 -2.81 0.00 0.00 179.45 175.57 2kku n LYS 22 N -5.00 0.45 -0.14 1.90 2.85 -0.91 -4.99 118.16 112.32 2kku n LYS 22 Ca -0.09 -0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 2kku n LYS 22 Cb 0.24 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 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 1.33 2.70 3.11 2.58 0.00 -0.71 -4.91 105.19 109.29 2kku n GLY 23 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.53 0.45 1.61 2.20 -1.25 -2.91 119.74 120.37 2kku s LYS 24 Ca 0.00 0.80 0.02 0.00 -0.36 0.00 0.00 55.97 56.44 2kku s LYS 24 Cb 0.00 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2kku s LYS 24 CO 0.00 -0.74 0.09 -3.47 -0.36 0.00 0.00 175.35 170.86 2kku n ASP 25 N 5.42 2.13 -3.85 1.43 -0.08 0.06 -4.98 116.55 116.68 2kku n ASP 25 Ca 0.00 -3.20 -0.28 0.00 -1.51 0.00 0.00 54.79 49.80 2kku n ASP 25 Cb 0.52 0.76 -0.16 0.00 2.34 0.00 0.00 41.12 44.57 2kku n ASP 25 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kku s VAL 26 N -2.98 0.94 -0.35 5.18 1.01 0.95 -0.64 120.40 124.50 2kku s VAL 26 Ca 0.12 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 2kku s VAL 26 Cb 0.01 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 2kku s VAL 26 CO 0.09 0.04 0.50 0.12 0.00 0.00 0.00 175.10 175.84 2kku s PHE 27 N 1.70 3.18 0.11 5.22 5.36 -0.63 -1.95 117.98 130.97 2kku s PHE 27 Ca 0.00 0.16 -0.08 0.00 -0.96 0.00 0.00 56.93 56.05 2kku s PHE 27 Cb -0.16 -2.89 -0.06 0.00 -0.34 0.00 0.00 43.02 39.57 2kku s PHE 27 CO -0.07 -0.52 0.40 0.14 -1.46 0.00 0.00 175.22 173.71 2kku s VAL 28 N 2.35 5.11 -0.05 3.12 -7.23 -1.26 -1.23 120.40 121.21 2kku s VAL 28 Ca 0.18 0.31 0.01 0.00 -1.81 0.00 0.00 61.98 60.67 2kku s VAL 28 Cb -0.16 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.17 2kku s VAL 28 CO 0.13 0.17 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.52 2kku s LYS 29 N -2.23 0.76 -0.62 4.82 -0.14 0.01 -5.00 119.74 117.34 2kku s LYS 29 Ca 0.37 -0.07 -0.07 0.00 -1.36 0.00 0.00 55.97 54.84 2kku s LYS 29 Cb -0.13 -0.82 -0.18 0.00 -1.68 0.00 0.00 37.83 35.02 2kku s LYS 29 CO 0.20 -0.10 3.15 -0.35 -0.76 0.00 0.00 175.35 177.49 2kku n PRO 30 N 4.14 2.50 -2.69 -1.68 -0.04 -1.26 -1.16 135.00 134.82 2kku n PRO 30 Ca -0.24 -1.40 -0.04 0.00 -0.04 0.00 0.00 63.50 61.79 2kku n PRO 30 Cb 0.51 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 2kku n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kku n ALA 31 N 3.02 -3.37 0.06 0.55 0.00 -1.24 -4.91 120.51 114.61 2kku n ALA 31 Ca 0.53 1.82 0.00 0.00 0.00 0.00 0.00 53.44 55.79 2kku n ALA 31 Cb 0.58 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 16.41 2kku n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kku n THR 32 N 1.62 0.08 -2.77 0.00 -1.04 -1.26 -5.10 114.28 105.81 2kku n THR 32 Ca -0.30 0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.39 2kku n THR 32 Cb 0.48 -0.67 -0.06 0.00 -1.82 0.00 0.00 70.33 68.26 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 -2.00 4.26 0.00 12.58 -7.23 -1.26 -5.09 120.40 121.66 2kku s VAL 33 Ca 0.00 1.52 0.00 0.00 -1.81 0.00 0.00 61.98 61.69 2kku s VAL 33 Cb 0.00 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.26 2kku s VAL 33 CO 0.00 -0.20 0.00 0.79 -0.31 0.00 0.00 175.10 175.38 2kku n TRP 34 N -0.39 -0.76 1.34 2.82 8.01 -1.26 -4.96 117.44 122.25 2kku n TRP 34 Ca 0.06 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.32 2kku n TRP 34 Cb 0.53 0.00 0.42 0.00 -2.01 0.00 0.00 31.31 30.25 2kku n TRP 34 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04 2kku n LYS 35 N -0.23 0.67 0.13 -0.99 2.85 -1.26 -2.30 118.16 117.04 2kku n LYS 35 Ca 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.27 2kku n LYS 35 Cb 0.00 -1.33 0.31 0.00 -0.65 0.00 0.00 35.03 33.36 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 0.15 -5.70 -1.58 3.07 -2.02 -3.40 114.58 105.11 2kku h GLU 36 Ca 0.00 -0.06 -0.28 0.00 -0.50 0.00 0.00 59.36 58.52 2kku h GLU 36 Cb 0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.86 2kku h GLU 36 CO 0.00 0.47 0.72 -1.17 -1.40 0.00 0.00 179.01 177.63 2kku s LEU 37 N -8.33 3.15 0.17 1.33 1.98 -0.97 -4.95 118.68 111.06 2kku s LEU 37 Ca -0.04 -0.49 0.09 0.00 -2.89 0.00 0.00 54.13 50.80 2kku s LEU 37 Cb 0.14 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.39 2kku s LEU 37 CO 0.75 -2.84 -0.13 -1.59 -1.89 0.00 0.00 176.35 170.65 2kku s LYS 38 N 7.23 1.95 -0.57 1.98 0.00 -1.26 -5.06 119.74 124.01 2kku s LYS 38 Ca 0.73 -1.29 -0.27 0.00 0.00 0.00 0.00 55.97 55.13 2kku s LYS 38 Cb -0.08 -2.11 -0.01 0.00 0.00 0.00 0.00 37.83 35.63 2kku s LYS 38 CO 0.02 0.44 1.68 -1.25 0.00 0.00 0.00 175.35 176.24 2kku s PRO 39 N -2.72 2.96 0.00 1.78 0.04 -1.26 -3.54 135.00 132.26 2kku s PRO 39 Ca 0.23 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2kku s PRO 39 Cb -0.09 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2kku s PRO 39 CO 0.14 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.25 2kku n GLY 40 N 5.51 0.49 0.00 0.56 0.00 0.26 -4.90 105.19 107.11 2kku n GLY 40 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 2.26 -4.40 1.61 2.81 -0.95 -4.94 117.12 113.51 2kku n MET 41 Ca 0.00 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.65 2kku n MET 41 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.42 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 -0.66 1.95 -0.29 0.03 -2.85 -0.67 -0.71 119.74 116.54 2kku s LYS 42 Ca 0.00 -1.66 -0.02 0.00 -1.00 0.00 0.00 55.97 53.28 2kku s LYS 42 Cb 0.00 -1.92 0.10 0.00 -2.06 0.00 0.00 37.83 33.95 2kku s LYS 42 CO 0.00 0.30 0.11 0.12 0.10 0.00 0.00 175.35 175.97 2kku s PHE 43 N -2.46 1.03 -0.23 1.78 2.19 -0.36 -2.22 117.98 117.72 2kku s PHE 43 Ca 0.31 -1.27 -0.25 0.00 0.33 0.00 0.00 56.93 56.05 2kku s PHE 43 Cb -0.04 -1.29 -0.00 0.00 -1.31 0.00 0.00 43.02 40.37 2kku s PHE 43 CO 0.17 -0.83 0.85 0.08 1.83 0.00 0.00 175.22 177.33 2kku s VAL 44 N 1.85 4.83 -0.49 3.12 1.01 -0.39 -0.62 120.40 129.70 2kku s VAL 44 Ca 0.08 1.63 -0.26 0.00 0.00 0.00 0.00 61.98 63.44 2kku s VAL 44 Cb -0.17 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.10 2kku s VAL 44 CO -0.28 -0.07 0.97 -0.36 0.00 0.00 0.00 175.10 175.36 2kku s PHE 45 N 2.76 2.85 0.38 5.22 0.08 0.36 -2.55 117.98 127.08 2kku s PHE 45 Ca 0.36 0.32 -0.24 0.00 0.12 0.00 0.00 56.93 57.49 2kku s PHE 45 Cb -0.15 -4.08 -0.09 0.00 -0.57 0.00 0.00 43.02 38.12 2kku s PHE 45 CO 0.08 -1.22 1.02 -0.47 -0.10 0.00 0.00 175.22 174.53 2kku s TYR 46 N 3.96 3.39 -0.02 0.36 5.04 -0.24 -0.65 117.35 129.19 2kku s TYR 46 Ca 0.37 1.68 -0.02 0.00 -2.44 0.00 0.00 57.07 56.65 2kku s TYR 46 Cb -0.10 -3.06 -0.01 0.00 0.35 0.00 0.00 41.96 39.14 2kku s TYR 46 CO 0.25 -0.37 -0.05 0.94 -1.34 0.00 0.00 175.55 174.98 2kku n GLN 47 N 0.09 0.07 -3.84 4.97 7.27 -1.26 -4.26 117.38 120.42 2kku n GLN 47 Ca 0.04 0.03 -0.09 0.00 0.07 0.00 0.00 57.00 57.05 2kku n GLN 47 Cb 0.50 -0.53 0.01 0.00 2.41 0.00 0.00 30.24 32.63 2kku n GLN 47 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2kku s SER 48 N -4.56 0.04 0.26 1.69 0.15 -1.22 -4.94 113.70 105.11 2kku s SER 48 Ca -0.04 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.52 2kku s SER 48 Cb 0.01 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2kku s SER 48 CO 0.06 -1.59 0.00 1.41 1.20 0.00 0.00 173.24 174.32 2kku n HIS 49 N -0.52 -1.11 -4.66 3.44 8.25 -1.26 -3.63 115.22 115.72 2kku n HIS 49 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2kku n HIS 49 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2kku n HIS 49 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2kku n GLU 50 N -0.29 0.00 0.15 -0.41 -0.58 -1.26 -3.28 120.64 114.97 2kku n GLU 50 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2kku n GLU 50 Cb 0.00 0.00 0.40 0.00 -0.57 0.00 0.00 31.44 31.27 2kku n GLU 50 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2kku h ASP 51 N 7.91 0.00 -3.54 1.62 5.19 -1.92 -3.40 116.42 122.27 2kku h ASP 51 Ca 0.00 0.00 -0.77 0.00 -0.62 0.00 0.00 57.03 55.64 2kku h ASP 51 Cb 0.00 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.21 2kku h ASP 51 CO 0.00 0.00 0.28 0.42 -3.12 0.00 0.00 179.24 176.82 2kku s THR 52 N -3.22 5.55 0.36 0.35 -4.23 -1.21 -3.64 115.64 109.61 2kku s THR 52 Ca 0.08 -3.46 0.05 0.00 -1.18 0.00 0.00 61.69 57.18 2kku s THR 52 Cb 0.10 -4.36 -0.07 0.00 1.34 0.00 0.00 72.50 69.51 2kku s THR 52 CO 0.57 -1.15 0.04 -0.83 -0.54 0.00 0.00 174.62 172.72 2kku s GLY 53 N 1.02 2.27 -0.24 3.99 0.00 -0.90 -3.43 107.32 110.03 2kku s GLY 53 Ca 0.29 -2.05 -0.02 0.00 0.00 0.00 0.00 44.72 42.94 2kku s GLY 53 CO -0.09 -1.92 0.03 0.69 0.00 0.00 0.00 173.10 171.81 2kku n PHE 54 N -0.81 -3.39 0.15 1.90 3.72 -1.26 -2.73 117.46 115.05 2kku n PHE 54 Ca -0.04 1.58 0.03 0.00 -0.05 0.00 0.00 57.45 58.97 2kku n PHE 54 Cb 0.67 -3.49 0.10 0.00 -0.94 0.00 0.00 39.48 35.82 2kku n PHE 54 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2kku h VAL 55 N 3.34 0.92 -0.73 -4.37 3.04 -1.15 -3.40 116.25 113.91 2kku h VAL 55 Ca -0.08 -2.12 0.00 0.00 -1.01 0.00 0.00 66.70 63.49 2kku h VAL 55 Cb 0.32 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 2kku h VAL 55 CO 0.07 0.49 0.00 0.61 -1.01 0.00 0.00 177.57 177.73 2kku n GLY 56 N 0.98 0.77 3.42 3.17 0.00 -1.06 -1.66 105.19 110.81 2kku n GLY 56 Ca 0.01 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.78 1.82 0.04 1.61 -1.05 -0.70 -0.49 118.70 119.16 2kku s GLU 57 Ca 0.00 -1.81 -0.01 0.00 -0.15 0.00 0.00 54.97 52.99 2kku s GLU 57 Cb 0.00 0.40 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 2kku s GLU 57 CO 0.00 -0.73 0.08 0.00 0.95 0.00 0.00 175.26 175.56 2kku n ALA 58 N -0.56 -0.16 -3.98 -0.84 0.00 0.21 0.17 120.51 115.34 2kku n ALA 58 Ca 0.03 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 2kku n ALA 58 Cb 0.62 0.12 -0.16 0.00 0.00 0.00 0.00 19.45 20.03 2kku n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kku s ARG 59 N -2.03 1.99 0.14 0.00 1.81 0.05 -1.23 118.95 119.69 2kku s ARG 59 Ca 0.02 -0.59 -0.31 0.00 -1.72 0.00 0.00 55.73 53.13 2kku s ARG 59 Cb -0.00 -2.11 -0.08 0.00 -0.45 0.00 0.00 34.95 32.31 2kku s ARG 59 CO 0.02 -0.32 1.36 0.42 -0.68 0.00 0.00 175.30 176.10 2kku s ILE 60 N 1.51 3.28 0.00 1.52 1.01 0.11 -1.74 121.20 126.90 2kku s ILE 60 Ca 0.03 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2kku s ILE 60 Cb -0.14 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2kku s ILE 60 CO -0.09 0.10 0.00 0.29 0.00 0.00 0.00 174.94 175.23 2kku n LYS 61 N 3.51 0.00 -1.50 2.79 4.76 0.12 -0.58 118.16 127.26 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 0.42 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.51 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 0.32 -3.13 1.97 1.85 -1.26 -2.70 116.66 113.71 2kku n ARG 62 Ca 0.00 0.10 -0.40 0.00 -1.00 0.00 0.00 57.85 56.55 2kku n ARG 62 Cb 0.00 -1.72 -0.06 0.00 -1.05 0.00 0.00 32.46 29.63 2kku n ARG 62 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kku s VAL 63 N 4.91 5.03 -0.48 8.89 -7.23 -1.26 -2.66 120.40 127.59 2kku s VAL 63 Ca 1.11 1.17 -0.22 0.00 -1.81 0.00 0.00 61.98 62.24 2kku s VAL 63 Cb -1.35 -3.94 0.03 0.00 0.56 0.00 0.00 36.38 31.69 2kku s VAL 63 CO 0.69 0.12 0.74 -0.69 -0.31 0.00 0.00 175.10 175.65 2kku s VAL 64 N 1.86 4.69 -0.36 1.32 1.01 -0.12 -4.88 120.40 123.92 2kku s VAL 64 Ca 0.29 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 2kku s VAL 64 Cb -0.16 -4.33 -0.00 0.00 0.00 0.00 0.00 36.38 31.89 2kku s VAL 64 CO 0.10 -0.78 0.44 -0.76 0.00 0.00 0.00 175.10 174.10 2kku s LEU 65 N 3.16 4.49 -0.12 3.92 1.43 -1.26 -1.09 118.68 129.21 2kku s LEU 65 Ca 0.25 -0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 2kku s LEU 65 Cb -0.14 -2.45 0.04 0.00 0.03 0.00 0.00 46.19 43.67 2kku s LEU 65 CO 0.19 -0.46 0.47 -0.55 0.23 0.00 0.00 176.35 176.23 2kku s SER 66 N 1.77 -0.45 0.30 2.29 0.15 -0.61 -5.02 113.70 112.13 2kku s SER 66 Ca 0.15 0.70 0.14 0.00 0.70 0.00 0.00 55.95 57.64 2kku s SER 66 Cb -0.16 0.74 0.38 0.00 -1.71 0.00 0.00 66.02 65.27 2kku s SER 66 CO 0.13 -0.31 1.60 -0.33 1.20 0.00 0.00 173.24 175.53 2kku h GLU 67 N 4.61 0.00 -5.33 5.44 5.08 -1.80 -0.75 114.58 121.83 2kku h GLU 67 Ca -0.28 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.47 2kku h GLU 67 Cb 1.17 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.30 2kku h GLU 67 CO 0.28 0.55 -0.21 -0.80 -1.00 0.00 0.00 179.01 177.83 2kku s ASN 68 N -6.61 6.37 0.53 1.42 0.01 -1.26 -4.30 114.94 111.10 2kku s ASN 68 Ca 0.00 0.43 0.28 0.00 -0.71 0.00 0.00 52.86 52.86 2kku s ASN 68 Cb 0.11 -2.22 1.52 0.00 0.41 0.00 0.00 41.25 41.06 2kku s ASN 68 CO 0.74 -0.11 2.11 1.55 -1.51 0.00 0.00 177.10 179.87 2kku h PRO 69 N 7.62 0.00 0.00 -0.60 0.13 -1.93 -3.00 132.00 134.23 2kku h PRO 69 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kku h PRO 69 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kku h PRO 69 CO 0.69 0.10 0.00 0.52 -0.23 0.00 0.00 178.00 179.08 2kku h MET 70 N 0.00 0.00 -0.94 0.86 2.86 -1.97 -1.95 114.93 113.79 2kku h MET 70 Ca -0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2kku h MET 70 Cb 0.27 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 2kku h MET 70 CO 0.01 0.00 0.61 1.96 1.06 0.00 0.00 176.91 180.55 2kku h GLN 71 N 0.00 1.12 0.00 1.72 1.08 -1.95 -1.17 115.11 115.92 2kku h GLN 71 Ca 0.00 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.00 2kku h GLN 71 Cb 0.66 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2kku h GLN 71 CO 0.00 0.74 -0.63 0.74 -0.95 0.00 0.00 178.83 178.73 2kku h PHE 72 N 1.15 0.00 0.00 2.96 0.04 -1.53 -1.79 116.94 117.78 2kku h PHE 72 Ca 0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.16 2kku h PHE 72 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2kku h PHE 72 CO -0.01 0.63 -0.54 0.74 -0.60 0.00 0.00 178.31 178.52 2kku h PHE 73 N 0.00 0.00 0.02 -0.55 0.04 -1.41 0.00 116.94 115.04 2kku h PHE 73 Ca -0.01 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 2kku h PHE 73 Cb 1.17 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.27 2kku h PHE 73 CO 0.00 0.00 -1.96 -0.85 -0.60 0.00 0.00 178.31 174.90 2kku n GLU 74 N -2.24 0.66 0.03 1.51 0.28 -0.47 -3.31 120.64 117.10 2kku n GLU 74 Ca 0.03 0.21 -0.05 0.00 -0.16 0.00 0.00 57.16 57.19 2kku n GLU 74 Cb 0.45 -1.70 -0.04 0.00 1.43 0.00 0.00 31.44 31.59 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 0.32 0.00 3.84 2.02 -1.40 -3.44 112.91 114.26 2kku h THR 75 Ca -0.39 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 65.75 2kku h THR 75 Cb 2.07 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 2kku h THR 75 CO 0.06 0.10 -0.25 0.49 0.37 0.00 0.00 175.52 176.29 2kku n PHE 76 N -4.89 0.04 0.00 3.16 3.72 -0.12 -4.98 117.46 114.39 2kku n PHE 76 Ca -0.04 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2kku n PHE 76 Cb 0.15 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 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 1.53 0.93 0.34 1.37 0.00 -0.58 -3.32 105.19 105.46 2kku n GLY 77 Ca -0.03 0.56 0.01 0.00 0.00 0.00 0.00 46.02 46.55 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 0.80 1.61 1.61 3.58 -1.91 -2.79 116.42 119.32 2kku h ASP 78 Ca 0.00 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2kku h ASP 78 Cb 0.00 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 2kku h ASP 78 CO 0.00 0.58 -0.01 0.03 -2.88 0.00 0.00 179.24 176.97 2kku h ARG 79 N 0.94 0.00 -6.83 0.28 2.47 -1.93 -3.45 114.38 105.86 2kku h ARG 79 Ca 0.25 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.49 2kku h ARG 79 Cb -0.10 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 2kku h ARG 79 CO -0.05 0.01 0.36 0.08 0.56 0.00 0.00 179.97 180.93 2kku s VAL 80 N -3.39 4.06 0.25 2.04 1.01 -1.05 -0.04 120.40 123.28 2kku s VAL 80 Ca 0.05 1.87 -0.05 0.00 0.00 0.00 0.00 61.98 63.85 2kku s VAL 80 Cb 0.07 -4.11 0.23 0.00 0.00 0.00 0.00 36.38 32.57 2kku s VAL 80 CO 0.62 0.29 1.86 2.19 0.00 0.00 0.00 175.10 180.06 2kku h PHE 81 N 3.56 1.04 -1.98 5.22 -0.00 -1.70 -3.42 116.94 119.67 2kku h PHE 81 Ca -0.46 0.03 -0.50 0.00 -0.00 0.00 0.00 57.97 57.04 2kku h PHE 81 Cb 1.20 -0.34 -0.04 0.00 -0.00 0.00 0.00 35.95 36.77 2kku h PHE 81 CO 0.61 0.53 -0.48 -0.48 -0.00 0.00 0.00 178.31 178.48 2kku s LEU 82 N -10.20 3.65 0.55 2.10 2.34 -1.26 -4.88 118.68 110.98 2kku s LEU 82 Ca -0.13 -0.42 0.08 0.00 0.06 0.00 0.00 54.13 53.72 2kku s LEU 82 Cb 0.19 -2.23 0.07 0.00 -0.56 0.00 0.00 46.19 43.65 2kku s LEU 82 CO 0.80 -0.23 0.75 0.28 -1.06 0.00 0.00 176.35 176.89 2kku s THR 83 N -2.25 2.40 0.41 5.48 -1.32 -1.26 -4.93 115.64 114.17 2kku s THR 83 Ca 0.38 -0.94 0.18 0.00 -1.21 0.00 0.00 61.69 60.10 2kku s THR 83 Cb -0.06 -2.46 0.19 0.00 -1.51 0.00 0.00 72.50 68.65 2kku s THR 83 CO 0.26 0.00 1.96 0.50 -2.21 0.00 0.00 174.62 175.13 2kku h LYS 84 N 0.22 0.00 -0.54 7.08 3.64 -1.95 -1.07 116.57 123.95 2kku h LYS 84 Ca -0.34 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 2kku h LYS 84 Cb 1.28 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 2kku h LYS 84 CO 0.42 0.22 0.24 -0.44 -2.27 0.00 0.00 179.45 177.63 2kku h ASP 85 N 0.00 0.73 -0.01 4.20 5.19 -2.00 -0.94 116.42 123.59 2kku h ASP 85 Ca -0.00 -0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.17 2kku h ASP 85 Cb 0.44 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 2kku h ASP 85 CO 0.03 0.67 -0.24 -0.33 -3.12 0.00 0.00 179.24 176.25 2kku h GLU 86 N 0.74 0.41 0.20 3.56 4.39 -1.75 -2.89 114.58 119.24 2kku h GLU 86 Ca 0.18 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2kku h GLU 86 Cb 0.15 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2kku h GLU 86 CO -0.02 0.63 -0.10 1.25 -1.16 0.00 0.00 179.01 179.62 2kku h LEU 87 N 0.37 -0.23 -0.79 1.33 5.85 -0.81 -2.29 115.31 118.73 2kku h LEU 87 Ca 0.06 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 2kku h LEU 87 Cb 0.63 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2kku h LEU 87 CO 0.05 0.03 0.01 0.07 -0.34 0.00 0.00 178.44 178.26 2kku h LYS 88 N -0.50 0.92 -0.11 1.25 5.09 -1.18 -0.82 116.57 121.23 2kku h LYS 88 Ca -0.03 -0.26 -0.14 0.00 0.09 0.00 0.00 60.65 60.31 2kku h LYS 88 Cb 0.38 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.60 2kku h LYS 88 CO 0.05 0.91 -0.54 1.05 -2.09 0.00 0.00 179.45 178.82 2kku h GLU 89 N 0.86 0.31 -0.11 0.07 4.11 -1.60 -2.52 114.58 115.69 2kku h GLU 89 Ca 0.16 -0.19 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2kku h GLU 89 Cb 0.49 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kku h GLU 89 CO 0.02 0.77 -0.01 -0.92 0.07 0.00 0.00 179.01 178.94 2kku h TYR 90 N 0.24 0.23 -0.54 2.06 3.20 -0.79 0.07 116.97 121.44 2kku h TYR 90 Ca 0.00 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 2kku h TYR 90 Cb 1.03 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 2kku h TYR 90 CO 0.02 0.48 -0.02 0.52 -1.64 0.00 0.00 178.16 177.52 2kku h MET 91 N -0.09 0.97 -0.80 1.82 2.86 -1.22 -2.17 114.93 116.29 2kku h MET 91 Ca 0.03 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 2kku h MET 91 Cb 0.40 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2kku h MET 91 CO 0.01 0.99 0.40 0.87 1.06 0.00 0.00 176.91 180.24 2kku h LYS 92 N 0.85 1.15 -0.65 1.72 1.79 -1.45 -2.73 116.57 117.25 2kku h LYS 92 Ca 0.15 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2kku h LYS 92 Cb 0.57 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2kku h LYS 92 CO 0.03 0.88 0.27 1.03 -1.08 0.00 0.00 179.45 180.58 2kku h SER 93 N 1.13 0.87 0.14 0.86 0.87 -0.60 0.03 113.55 116.85 2kku h SER 93 Ca 0.28 -0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.57 2kku h SER 93 Cb 0.10 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2kku h SER 93 CO -0.04 0.77 -0.56 1.56 -0.53 0.00 0.00 176.83 178.04 2kku h GLN 94 N 0.94 0.44 0.00 2.24 1.08 -1.24 -1.81 115.11 116.75 2kku h GLN 94 Ca 0.22 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 2kku h GLN 94 Cb 0.17 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 2kku h GLN 94 CO -0.02 0.88 -1.11 1.05 -0.95 0.00 0.00 178.83 178.68 2kku h GLU 95 N 0.34 0.00 0.00 1.46 -0.00 -1.13 -2.32 114.58 112.93 2kku h GLU 95 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 59.36 59.03 2kku h GLU 95 Cb 1.08 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.77 2kku h GLU 95 CO 0.10 0.11 -2.29 2.89 -0.00 0.00 0.00 179.01 179.82 2kku n ARG 96 N -2.78 0.88 -0.08 1.06 1.85 -0.05 -3.64 116.66 113.91 2kku n ARG 96 Ca -0.03 -0.02 -0.09 0.00 -1.00 0.00 0.00 57.85 56.71 2kku n ARG 96 Cb 0.65 -1.49 -0.12 0.00 -1.05 0.00 0.00 32.46 30.46 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 -2.68 0.00 -1.59 2.89 5.03 -0.69 -4.62 117.44 115.78 2kku n TRP 97 Ca -0.30 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 59.91 2kku n TRP 97 Cb 1.09 -0.77 -0.05 0.00 -1.03 0.00 0.00 31.31 30.55 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 2.16 4.49 5.12 6.99 0.00 -0.88 -4.90 105.19 118.17 2kku n GLY 98 Ca -0.28 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 2.02 0.00 -2.72 1.61 1.74 -1.26 -2.85 116.66 115.20 2kku n ARG 99 Ca 0.60 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.62 2kku n ARG 99 Cb 0.41 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.90 2kku n ARG 99 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kku n ARG 100 N 0.00 0.48 -2.29 5.56 0.63 -1.24 -4.60 116.66 115.20 2kku n ARG 100 Ca 0.00 -1.43 -0.34 0.00 -0.92 0.00 0.00 57.85 55.16 2kku n ARG 100 Cb 0.00 -0.97 -0.04 0.00 0.45 0.00 0.00 32.46 31.91 2kku n ARG 100 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2kku s ARG 101 N 0.63 3.12 0.56 -0.14 3.00 -1.13 -4.92 118.95 120.08 2kku s ARG 101 Ca 0.29 -1.29 0.06 0.00 -1.00 0.00 0.00 55.73 53.78 2kku s ARG 101 Cb 0.16 -5.33 0.05 0.00 0.00 0.00 0.00 34.95 29.84 2kku s ARG 101 CO -0.15 -3.11 0.45 -1.83 0.00 0.00 0.00 175.30 170.66 2kku s GLU 102 N 5.64 2.24 -0.22 5.12 -1.05 -1.26 -4.10 118.70 125.07 2kku s GLU 102 Ca 0.61 -2.04 -0.27 0.00 -0.15 0.00 0.00 54.97 53.12 2kku s GLU 102 Cb -0.00 -2.12 0.12 0.00 -0.44 0.00 0.00 34.13 31.69 2kku s GLU 102 CO 0.06 -0.70 0.99 0.45 0.95 0.00 0.00 175.26 177.01 2kku s SER 103 N -4.34 -0.44 0.38 0.83 0.15 -1.26 -5.04 113.70 103.98 2kku s SER 103 Ca 0.35 0.69 0.19 0.00 0.70 0.00 0.00 55.95 57.88 2kku s SER 103 Cb -0.03 0.65 0.68 0.00 -1.71 0.00 0.00 66.02 65.61 2kku s SER 103 CO 0.22 -0.26 1.73 0.50 1.20 0.00 0.00 173.24 176.63 2kku h LYS 104 N 3.49 0.00 -5.22 5.44 1.63 -2.04 -3.46 116.57 116.41 2kku h LYS 104 Ca -0.24 0.00 -0.43 0.00 -0.85 0.00 0.00 60.65 59.13 2kku h LYS 104 Cb 1.17 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.66 2kku h LYS 104 CO 0.20 0.36 -0.65 0.21 -3.45 0.00 0.00 179.45 176.13 2kku s LYS 105 N -3.59 1.47 0.35 1.90 2.47 -1.26 -5.17 119.74 115.91 2kku s LYS 105 Ca 0.00 -1.76 0.01 0.00 -1.56 0.00 0.00 55.97 52.66 2kku s LYS 105 Cb 0.11 -0.81 -0.03 0.00 -1.46 0.00 0.00 37.83 35.64 2kku s LYS 105 CO 0.68 -0.09 0.54 -1.59 0.16 0.00 0.00 175.35 175.06 2kku s LYS 106 N -3.84 3.47 0.39 4.03 0.00 -1.26 -5.13 119.74 117.41 2kku s LYS 106 Ca 0.31 -0.36 0.08 0.00 0.00 0.00 0.00 55.97 56.00 2kku s LYS 106 Cb 0.06 -2.67 -0.04 0.00 0.00 0.00 0.00 37.83 35.19 2kku s LYS 106 CO 0.11 0.15 0.26 0.21 0.00 0.00 0.00 175.35 176.08 2kku s LYS 107 N -4.31 2.42 -0.53 1.78 2.47 -1.26 -5.07 119.74 115.25 2kku s LYS 107 Ca 0.40 -1.61 -0.28 0.00 -1.56 0.00 0.00 55.97 52.91 2kku s LYS 107 Cb -0.10 -2.22 0.02 0.00 -1.46 0.00 0.00 37.83 34.07 2kku s LYS 107 CO 0.36 -0.08 1.28 -1.17 0.16 0.00 0.00 175.35 175.89 2kku s LEU 108 N -3.99 3.49 0.41 5.43 1.98 -1.26 -4.26 118.68 120.49 2kku s LEU 108 Ca 0.43 0.34 -0.05 0.00 -2.89 0.00 0.00 54.13 51.97 2kku s LEU 108 Cb -0.01 -3.28 -0.04 0.00 0.66 0.00 0.00 46.19 43.52 2kku s LEU 108 CO 0.25 -1.49 0.70 0.26 -1.89 0.00 0.00 176.35 174.18 2kku s TRP 109 N 5.24 3.52 -0.03 5.38 0.52 -0.29 -3.61 118.94 129.67 2kku s TRP 109 Ca 0.49 0.73 0.01 0.00 0.02 0.00 0.00 56.10 57.35 2kku s TRP 109 Cb -0.09 -2.21 0.02 0.00 -1.15 0.00 0.00 33.47 30.04 2kku s TRP 109 CO 0.28 -0.10 -0.02 0.00 0.02 0.00 0.00 176.95 177.12 2kku s MET 110 N -4.34 0.51 -0.38 4.98 0.23 -0.31 -1.57 119.30 118.42 2kku s MET 110 Ca 0.46 -0.04 -0.03 0.00 -1.03 0.00 0.00 55.69 55.05 2kku s MET 110 Cb -0.10 -0.59 0.09 0.00 -1.53 0.00 0.00 34.83 32.70 2kku s MET 110 CO 0.39 -0.07 0.16 0.00 -2.03 0.00 0.00 175.02 173.46 2kku s ALA 111 N 0.77 3.08 -0.07 3.16 0.00 -0.25 -0.81 121.76 127.65 2kku s ALA 111 Ca -0.09 -2.31 -0.27 0.00 0.00 0.00 0.00 51.96 49.29 2kku s ALA 111 Cb -0.12 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 2kku s ALA 111 CO -0.01 -1.66 0.86 0.42 0.00 0.00 0.00 175.76 175.38 2kku s ILE 112 N 1.19 4.92 -0.43 0.00 1.01 -0.37 -0.95 121.20 126.58 2kku s ILE 112 Ca 0.05 1.76 -0.28 0.00 0.00 0.00 0.00 60.65 62.18 2kku s ILE 112 Cb -0.22 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.09 2kku s ILE 112 CO -0.03 0.14 1.04 -0.70 0.00 0.00 0.00 174.94 175.40 2kku s GLU 113 N 1.29 3.76 -0.38 2.79 2.12 -1.09 -1.60 118.70 125.60 2kku s GLU 113 Ca 0.44 0.56 -0.15 0.00 0.36 0.00 0.00 54.97 56.18 2kku s GLU 113 Cb -0.19 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.34 2kku s GLU 113 CO 0.20 -1.19 0.31 -0.51 -0.54 0.00 0.00 175.26 173.53 2kku s LEU 114 N 3.99 4.79 0.37 2.70 2.01 0.19 0.12 118.68 132.84 2kku s LEU 114 Ca 0.43 -0.62 0.08 0.00 0.01 0.00 0.00 54.13 54.03 2kku s LEU 114 Cb -0.09 -2.21 -0.07 0.00 0.01 0.00 0.00 46.19 43.83 2kku s LEU 114 CO 0.26 -0.38 -0.05 -1.83 1.01 0.00 0.00 176.35 175.36 2kku s GLU 115 N 1.80 1.85 -1.21 1.70 -1.05 -0.71 -0.76 118.70 120.32 2kku s GLU 115 Ca 0.07 -2.00 -0.07 0.00 -0.15 0.00 0.00 54.97 52.82 2kku s GLU 115 Cb -0.18 -1.61 -0.02 0.00 -0.44 0.00 0.00 34.13 31.89 2kku s GLU 115 CO 0.11 0.05 0.77 -3.47 0.95 0.00 0.00 175.26 173.66 2kku n ASP 116 N -0.84 -3.44 -4.59 0.83 2.03 -1.16 -0.77 116.55 108.60 2kku n ASP 116 Ca -0.05 -0.86 -0.42 0.00 0.52 0.00 0.00 54.79 53.98 2kku n ASP 116 Cb 0.65 -4.07 -0.02 0.00 -0.72 0.00 0.00 41.12 36.95 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 -3.56 3.87 0.63 5.18 1.01 -1.15 -4.04 120.40 122.35 2kku s VAL 117 Ca 0.23 0.83 -0.08 0.00 0.00 0.00 0.00 61.98 62.95 2kku s VAL 117 Cb -0.06 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2kku s VAL 117 CO 0.81 -0.98 0.98 -0.75 0.00 0.00 0.00 175.10 175.16 2kku s LYS 118 N 5.18 3.00 -0.06 2.72 2.47 0.12 -4.91 119.74 128.26 2kku s LYS 118 Ca 0.56 0.26 0.03 0.00 -1.56 0.00 0.00 55.97 55.26 2kku s LYS 118 Cb -0.12 -2.16 0.00 0.00 -1.46 0.00 0.00 37.83 34.09 2kku s LYS 118 CO 0.29 -0.78 -0.16 0.15 0.16 0.00 0.00 175.35 175.01 2kku s LYS 119 N -5.13 1.89 -0.68 4.03 -0.14 -1.26 -1.72 119.74 116.73 2kku s LYS 119 Ca 0.55 -0.56 -0.18 0.00 -1.36 0.00 0.00 55.97 54.42 2kku s LYS 119 Cb -0.11 -1.57 0.12 0.00 -1.68 0.00 0.00 37.83 34.59 2kku s LYS 119 CO 0.48 0.14 0.79 0.71 -0.76 0.00 0.00 175.35 176.72 2kku s TYR 120 N 0.33 3.10 -0.41 3.18 2.02 -0.67 -4.86 117.35 120.05 2kku s TYR 120 Ca -0.10 -1.15 0.26 0.00 -0.37 0.00 0.00 57.07 55.71 2kku s TYR 120 Cb -0.14 -4.04 0.70 0.00 -0.40 0.00 0.00 41.96 38.08 2kku s TYR 120 CO 0.04 -1.30 1.73 -0.44 -1.57 0.00 0.00 175.55 174.01 2kku h ASP 121 N 8.96 0.00 -3.53 2.29 3.32 -1.92 -3.43 116.42 122.11 2kku h ASP 121 Ca -0.17 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.35 2kku h ASP 121 Cb 1.07 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 2kku h ASP 121 CO 1.06 0.00 0.20 -1.59 -1.72 0.00 0.00 179.24 177.19 2kku s LYS 122 N -3.28 4.59 -0.72 3.56 -2.85 -1.26 -5.04 119.74 114.74 2kku s LYS 122 Ca 0.07 1.19 -0.27 0.00 -1.00 0.00 0.00 55.97 55.95 2kku s LYS 122 Cb 0.08 -3.28 0.02 0.00 -2.06 0.00 0.00 37.83 32.59 2kku s LYS 122 CO 0.60 0.52 1.37 -1.25 0.10 0.00 0.00 175.35 176.70 2kku s PRO 123 N -0.99 3.10 -0.11 1.78 0.04 -1.26 -4.96 135.00 132.61 2kku s PRO 123 Ca 0.37 -0.11 -0.28 0.00 0.04 0.00 0.00 61.00 61.02 2kku s PRO 123 Cb -0.23 -4.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.08 2kku s PRO 123 CO 0.27 -2.24 0.95 0.42 0.04 0.00 0.00 177.00 176.44 2kku s ILE 124 N 6.26 4.82 -0.30 0.56 1.01 -1.10 -4.82 121.20 127.63 2kku s ILE 124 Ca 0.40 1.94 -0.29 0.00 0.00 0.00 0.00 60.65 62.70 2kku s ILE 124 Cb -0.09 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.13 2kku s ILE 124 CO 0.16 0.04 1.14 -0.54 0.00 0.00 0.00 174.94 175.73 2kku s LYS 125 N 1.88 4.05 0.14 2.79 3.01 -1.24 -2.11 119.74 128.27 2kku s LYS 125 Ca 0.46 1.16 -0.34 0.00 -1.01 0.00 0.00 55.97 56.24 2kku s LYS 125 Cb -0.18 -3.77 -0.14 0.00 -1.01 0.00 0.00 37.83 32.74 2kku s LYS 125 CO 0.18 -0.93 1.61 -0.35 0.51 0.00 0.00 175.35 176.37 2kku n PRO 126 N 6.93 2.17 0.27 -1.68 -0.04 -1.26 -4.89 135.00 136.50 2kku n PRO 126 Ca 0.13 0.78 0.16 0.00 -0.04 0.00 0.00 63.50 64.53 2kku n PRO 126 Cb 0.47 -2.56 0.66 0.00 -0.04 0.00 0.00 33.50 32.03 2kku n PRO 126 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2kku h LYS 127 N 6.25 0.00 -3.05 0.54 6.56 -1.98 -3.45 116.57 121.43 2kku h LYS 127 Ca -0.45 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.16 2kku h LYS 127 Cb 1.25 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.83 2kku h LYS 127 CO 0.89 0.03 0.19 -0.98 -2.06 0.00 0.00 179.45 177.52 2kku s ARG 128 N -3.68 1.55 0.22 3.15 1.70 -1.26 -5.16 118.95 115.48 2kku s ARG 128 Ca 0.01 -0.79 -0.30 0.00 -0.47 0.00 0.00 55.73 54.18 2kku s ARG 128 Cb 0.09 0.59 -0.09 0.00 -0.57 0.00 0.00 34.95 34.97 2kku s ARG 128 CO 0.55 -0.69 1.24 -0.48 -1.08 0.00 0.00 175.30 174.84 2kku s LEU 129 N -2.85 4.45 -0.48 -1.89 2.34 -1.26 -5.02 118.68 113.96 2kku s LEU 129 Ca 0.07 2.36 -0.05 0.00 0.06 0.00 0.00 54.13 56.58 2kku s LEU 129 Cb -0.03 -3.62 0.13 0.00 -0.56 0.00 0.00 46.19 42.11 2kku s LEU 129 CO -0.01 -0.42 0.30 -0.69 -1.06 0.00 0.00 176.35 174.47 2kku s VAL 130 N -0.30 3.64 0.97 1.48 1.01 -1.26 -4.91 120.40 121.03 2kku s VAL 130 Ca 0.52 -2.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.14 2kku s VAL 130 Cb -0.35 -3.44 0.24 0.00 0.00 0.00 0.00 36.38 32.83 2kku s VAL 130 CO 0.40 -0.76 0.92 -2.65 0.00 0.00 0.00 175.10 173.01 2kku n PRO 131 N 4.41 -2.52 0.03 2.72 -0.02 -1.26 -4.62 135.00 133.75 2kku n PRO 131 Ca -0.01 -1.46 0.05 0.00 -2.02 0.00 0.00 63.50 60.06 2kku n PRO 131 Cb 0.41 -1.30 0.46 0.00 -0.02 0.00 0.00 33.50 33.04 2kku n PRO 131 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kku h VAL 132 N -2.38 1.07 0.00 -1.45 2.07 -1.99 -0.31 116.25 113.26 2kku h VAL 132 Ca -0.34 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 2kku h VAL 132 Cb 1.02 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2kku h VAL 132 CO 0.22 0.09 -0.17 1.23 0.02 0.00 0.00 177.57 178.96 2kku h GLY 133 N 0.47 0.00 0.00 2.17 0.00 -1.97 -3.46 103.07 100.28 2kku h GLY 133 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 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 -0.51 -2.07 3.37 4.60 0.00 -0.13 -4.90 105.19 105.55 2kku n GLY 134 Ca -0.01 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.68 1.69 -0.46 1.61 -1.52 -0.73 -4.79 119.66 112.78 2kku s GLN 135 Ca 0.00 -1.18 -0.26 0.00 -1.95 0.00 0.00 55.36 51.97 2kku s GLN 135 Cb 0.00 -1.97 0.03 0.00 -0.22 0.00 0.00 33.01 30.85 2kku s GLN 135 CO 0.00 0.49 0.96 0.71 -0.25 0.00 0.00 175.29 177.21 2kku s TYR 136 N -0.90 2.91 -0.22 0.91 2.02 -1.26 -0.84 117.35 119.97 2kku s TYR 136 Ca 0.13 0.46 -0.29 0.00 -0.37 0.00 0.00 57.07 56.99 2kku s TYR 136 Cb -0.10 -4.04 -0.00 0.00 -0.40 0.00 0.00 41.96 37.42 2kku s TYR 136 CO 0.04 -1.12 1.17 -1.17 -1.57 0.00 0.00 175.55 172.90 2kku s LEU 137 N 3.86 4.10 -0.02 -1.29 0.20 -0.39 -4.98 118.68 120.17 2kku s LEU 137 Ca 0.39 1.47 0.04 0.00 0.69 0.00 0.00 54.13 56.72 2kku s LEU 137 Cb -0.10 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.12 2kku s LEU 137 CO 0.27 -0.77 -0.13 0.00 -0.29 0.00 0.00 176.35 175.43 2kku s ARG 138 N 3.48 1.19 0.00 1.98 3.03 -1.26 -1.55 118.95 125.82 2kku s ARG 138 Ca 0.50 -0.46 0.30 0.00 2.03 0.00 0.00 55.73 58.11 2kku s ARG 138 Cb -0.18 -1.11 1.52 0.00 -1.03 0.00 0.00 34.95 34.15 2kku s ARG 138 CO 0.12 0.23 2.01 -1.91 -1.13 0.00 0.00 175.30 174.63