#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 0.26 6.12 0.02 -2.00 -1.90 113.55 116.05 2kku h SER 2 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 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 -0.05 0.07 -1.14 0.00 0.00 176.83 175.71 2kku h LYS 3 N 0.00 0.00 0.00 3.45 2.10 -2.00 -3.49 116.57 116.63 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 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2kku h LYS 3 CO 0.00 0.05 0.00 -0.89 -2.00 0.00 0.00 179.45 176.61 2kku n ILE 4 N -3.51 0.00 0.00 0.07 2.08 -0.71 -4.93 119.36 112.36 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 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.06 2kku n ILE 4 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 2kku n VAL 5 N -0.57 0.00 -2.72 1.39 0.24 -0.66 -2.91 118.33 113.10 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 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 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 0.08 1.70 3.33 7.63 0.00 -0.65 -1.38 105.19 115.90 2kku n GLY 6 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.49 1.97 -0.09 1.61 0.11 -0.91 -1.48 120.40 119.12 2kku s VAL 7 Ca 0.00 -1.61 0.03 0.00 -2.93 0.00 0.00 61.98 57.47 2kku s VAL 7 Cb 0.00 -1.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.08 2kku s VAL 7 CO 0.00 0.04 -0.19 0.28 -3.33 0.00 0.00 175.10 171.90 2kku s THR 8 N -1.08 2.53 0.01 5.04 -1.32 -0.36 -1.98 115.64 118.48 2kku s THR 8 Ca 0.10 -0.87 0.04 0.00 -1.21 0.00 0.00 61.69 59.75 2kku s THR 8 Cb -0.10 -2.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.88 2kku s THR 8 CO 0.05 0.55 -0.11 -0.31 -2.21 0.00 0.00 174.62 172.59 2kku s TYR 9 N 0.09 0.98 0.06 9.09 1.51 -0.99 -1.89 117.35 126.21 2kku s TYR 9 Ca -0.09 -0.24 -0.20 0.00 -1.01 0.00 0.00 57.07 55.53 2kku s TYR 9 Cb -0.15 -0.62 -0.11 0.00 -0.11 0.00 0.00 41.96 40.97 2kku s TYR 9 CO 0.06 -0.01 1.48 -1.00 -1.11 0.00 0.00 175.55 174.97 2kku h PRO 10 N 5.54 0.34 -5.99 -1.71 0.13 -1.78 -0.54 132.00 127.99 2kku h PRO 10 Ca -0.34 -0.12 -0.22 0.00 -0.87 0.00 0.00 66.00 64.46 2kku h PRO 10 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kku h PRO 10 CO 0.47 0.57 -0.57 -0.89 -0.23 0.00 0.00 178.00 177.35 2kku n ILE 11 N -4.68 -7.14 -0.50 -3.56 5.41 -1.26 -4.11 119.36 103.51 2kku n ILE 11 Ca -0.05 -0.01 -0.04 0.00 1.00 0.00 0.00 62.75 63.65 2kku n ILE 11 Cb 0.24 -5.16 0.01 0.00 -0.71 0.00 0.00 39.64 34.02 2kku n ILE 11 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2kku n PRO 12 N -1.81 1.19 -4.36 0.38 -0.04 -1.26 -4.63 135.00 124.47 2kku n PRO 12 Ca -0.12 -0.37 -0.19 0.00 -0.04 0.00 0.00 63.50 62.78 2kku n PRO 12 Cb 0.59 -1.15 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 2kku n PRO 12 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kku s LYS 13 N -0.43 1.38 0.36 0.54 1.02 -1.26 -5.05 119.74 116.29 2kku s LYS 13 Ca 0.07 -1.66 0.27 0.00 0.02 0.00 0.00 55.97 54.67 2kku s LYS 13 Cb 0.06 -0.98 1.20 0.00 -0.52 0.00 0.00 37.83 37.58 2kku s LYS 13 CO -0.00 0.07 1.81 0.00 -0.92 0.00 0.00 175.35 176.30 2kku h ARG 14 N 2.47 0.00 0.00 1.68 3.08 -2.02 -2.73 114.38 116.86 2kku h ARG 14 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2kku h ARG 14 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2kku h ARG 14 CO 0.64 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.73 2kku n PHE 15 N -2.48 0.00 0.30 3.04 3.72 -1.26 -3.24 117.46 117.54 2kku n PHE 15 Ca 0.01 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.58 2kku n PHE 15 Cb 0.20 0.00 0.78 0.00 -0.94 0.00 0.00 39.48 39.52 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 0.00 0.00 -0.08 -1.08 -0.00 -1.74 -3.04 114.93 108.98 2kku h MET 16 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 2kku h MET 16 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 2kku h MET 16 CO 0.00 0.00 -0.19 0.38 -0.00 0.00 0.00 176.91 177.10 2kku h ASP 17 N 0.00 0.12 -0.89 -0.10 2.03 -1.84 -3.32 116.42 112.43 2kku h ASP 17 Ca 0.00 -0.03 0.05 0.00 -0.73 0.00 0.00 57.03 56.32 2kku h ASP 17 Cb 0.34 -0.03 -0.05 0.00 -0.83 0.00 0.00 39.33 38.75 2kku h ASP 17 CO 0.00 0.33 0.58 0.03 -1.03 0.00 0.00 179.24 179.15 2kku h ARG 18 N 0.12 1.03 -0.04 4.15 2.47 -1.82 0.17 114.38 120.46 2kku h ARG 18 Ca 0.02 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.56 2kku h ARG 18 Cb 0.41 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 2kku h ARG 18 CO 0.03 0.68 -0.55 0.74 0.56 0.00 0.00 179.97 181.44 2kku h PHE 19 N 1.06 0.13 -0.00 3.04 -1.00 -1.81 -2.26 116.94 116.10 2kku h PHE 19 Ca 0.37 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.10 2kku h PHE 19 Cb 0.10 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.64 2kku h PHE 19 CO -0.00 0.63 -0.57 1.19 -1.61 0.00 0.00 178.31 177.94 2kku n PHE 20 N -3.90 0.00 -0.06 -0.55 3.72 -0.43 -2.84 117.46 113.39 2kku n PHE 20 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 2kku n PHE 20 Cb 0.56 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 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 0.42 0.00 0.00 -1.08 3.11 -0.34 -3.42 116.57 115.27 2kku h LYS 21 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2kku h LYS 21 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 2kku h LYS 21 CO 0.00 0.06 -1.51 0.36 -2.81 0.00 0.00 179.45 175.55 2kku n LYS 22 N -4.68 0.36 0.00 1.90 2.85 -0.89 -5.00 118.16 112.71 2kku n LYS 22 Ca -0.05 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 2kku n LYS 22 Cb 0.17 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 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 1.37 1.40 2.97 2.58 0.00 -1.13 -4.81 105.19 107.56 2kku n GLY 23 Ca -0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 1.95 0.52 1.61 2.20 -1.26 -2.92 119.74 121.84 2kku s LYS 24 Ca 0.00 -2.53 0.08 0.00 -0.36 0.00 0.00 55.97 53.17 2kku s LYS 24 Cb 0.00 -3.33 0.06 0.00 -1.51 0.00 0.00 37.83 33.05 2kku s LYS 24 CO 0.00 -1.09 0.72 0.34 -0.36 0.00 0.00 175.35 174.96 2kku s ASP 25 N -0.08 5.28 -0.20 1.43 2.15 0.10 -4.90 116.67 120.45 2kku s ASP 25 Ca 0.16 -0.64 -0.02 0.00 0.43 0.00 0.00 52.55 52.48 2kku s ASP 25 Cb -0.25 -0.11 0.06 0.00 -0.30 0.00 0.00 42.92 42.32 2kku s ASP 25 CO -0.01 -1.14 0.01 -0.69 -0.17 0.00 0.00 175.17 173.17 2kku s VAL 26 N -2.57 0.79 -0.29 1.11 1.01 0.51 -0.17 120.40 120.80 2kku s VAL 26 Ca 0.59 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 2kku s VAL 26 Cb -0.07 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2kku s VAL 26 CO 0.37 -0.18 0.69 0.12 0.00 0.00 0.00 175.10 176.09 2kku s PHE 27 N 1.73 3.24 -0.10 5.22 5.36 -0.07 -2.31 117.98 131.04 2kku s PHE 27 Ca -0.02 0.75 -0.15 0.00 -0.96 0.00 0.00 56.93 56.54 2kku s PHE 27 Cb -0.18 -3.01 -0.05 0.00 -0.34 0.00 0.00 43.02 39.44 2kku s PHE 27 CO -0.07 -0.45 0.39 0.14 -1.46 0.00 0.00 175.22 173.76 2kku s VAL 28 N 2.69 5.20 -0.03 3.12 -7.23 -1.26 -1.40 120.40 121.48 2kku s VAL 28 Ca 0.28 0.76 0.07 0.00 -1.81 0.00 0.00 61.98 61.29 2kku s VAL 28 Cb -0.15 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.06 2kku s VAL 28 CO 0.11 0.42 -0.26 -0.54 -0.31 0.00 0.00 175.10 174.52 2kku s LYS 29 N 0.07 2.23 0.00 4.82 -0.14 -0.38 -4.98 119.74 121.36 2kku s LYS 29 Ca 0.22 -0.92 -0.04 0.00 -1.36 0.00 0.00 55.97 53.87 2kku s LYS 29 Cb -0.15 -2.07 -0.16 0.00 -1.68 0.00 0.00 37.83 33.77 2kku s LYS 29 CO 0.09 0.51 2.72 -0.35 -0.76 0.00 0.00 175.35 177.56 2kku n PRO 30 N 2.58 1.45 -3.75 -1.68 -0.04 -1.26 -0.38 135.00 131.91 2kku n PRO 30 Ca -0.16 -0.58 -0.29 0.00 -0.04 0.00 0.00 63.50 62.42 2kku n PRO 30 Cb 0.51 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 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 2.25 -1.17 -0.17 0.55 0.00 -1.13 -4.78 120.51 116.05 2kku n ALA 31 Ca 0.25 0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.75 2kku n ALA 31 Cb 0.68 -3.58 0.14 0.00 0.00 0.00 0.00 19.45 16.68 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 -1.49 1.24 -4.07 0.00 2.02 -1.90 -3.43 112.91 105.28 2kku h THR 32 Ca -0.52 -0.90 -0.48 0.00 0.77 0.00 0.00 66.41 65.27 2kku h THR 32 Cb 1.34 0.65 0.04 0.00 -1.74 0.00 0.00 68.15 68.45 2kku h THR 32 CO 0.64 0.34 0.41 0.68 0.37 0.00 0.00 175.52 177.96 2kku s VAL 33 N -5.21 3.53 1.02 3.16 -7.23 -1.26 -5.08 120.40 109.33 2kku s VAL 33 Ca -0.10 0.96 -0.17 0.00 -1.81 0.00 0.00 61.98 60.85 2kku s VAL 33 Cb 0.15 -3.39 0.25 0.00 0.56 0.00 0.00 36.38 33.95 2kku s VAL 33 CO 0.82 -0.20 1.00 0.79 -0.31 0.00 0.00 175.10 177.20 2kku n TRP 34 N -1.07 -3.83 1.85 2.82 7.02 -1.26 -4.93 117.44 118.03 2kku n TRP 34 Ca 0.10 -0.90 0.00 0.00 -1.02 0.00 0.00 57.50 55.68 2kku n TRP 34 Cb 0.52 -0.97 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 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 -4.19 0.96 0.24 -0.99 4.01 -1.26 -2.99 118.16 113.93 2kku n LYS 35 Ca 0.14 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.07 2kku n LYS 35 Cb 0.51 -1.03 0.40 0.00 -0.51 0.00 0.00 35.03 34.39 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2kku h GLU 36 N 0.00 0.00 -5.91 1.97 4.39 -2.02 -3.44 114.58 109.57 2kku h GLU 36 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 2kku h GLU 36 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2kku h GLU 36 CO 0.00 0.07 1.42 -1.17 -1.16 0.00 0.00 179.01 178.16 2kku s LEU 37 N -6.29 3.33 0.16 1.33 1.98 -1.16 -4.98 118.68 113.06 2kku s LEU 37 Ca 0.04 0.60 0.11 0.00 -2.89 0.00 0.00 54.13 51.98 2kku s LEU 37 Cb 0.07 -2.60 -0.04 0.00 0.66 0.00 0.00 46.19 44.28 2kku s LEU 37 CO 0.62 -2.45 -0.23 -1.59 -1.89 0.00 0.00 176.35 170.81 2kku s LYS 38 N 7.24 1.55 -0.74 1.98 -2.85 -1.26 -5.08 119.74 120.57 2kku s LYS 38 Ca 0.76 -1.41 -0.26 0.00 -1.00 0.00 0.00 55.97 54.05 2kku s LYS 38 Cb -0.15 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 2kku s LYS 38 CO 0.23 0.43 1.62 -1.25 0.10 0.00 0.00 175.35 176.47 2kku s PRO 39 N -2.43 2.92 0.00 1.78 0.04 -1.26 -3.16 135.00 132.89 2kku s PRO 39 Ca 0.19 0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.23 2kku s PRO 39 Cb -0.09 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.95 2kku s PRO 39 CO 0.09 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 174.99 2kku n GLY 40 N 5.86 -0.09 0.51 0.56 0.00 0.26 -4.87 105.19 107.41 2kku n GLY 40 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 2kku n GLY 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kku n MET 41 N 0.00 0.38 -4.23 1.61 2.81 -1.18 -4.89 117.12 111.63 2kku n MET 41 Ca 0.00 -0.34 -0.23 0.00 -1.81 0.00 0.00 57.70 55.32 2kku n MET 41 Cb 0.00 -0.11 -0.07 0.00 -0.71 0.00 0.00 33.22 32.33 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 -2.87 2.32 -0.27 0.03 -2.85 -0.48 -0.63 119.74 115.00 2kku s LYS 42 Ca 0.09 -1.48 -0.03 0.00 -1.00 0.00 0.00 55.97 53.55 2kku s LYS 42 Cb -0.00 -2.16 0.09 0.00 -2.06 0.00 0.00 37.83 33.70 2kku s LYS 42 CO 0.06 0.26 0.10 0.12 0.10 0.00 0.00 175.35 175.99 2kku s PHE 43 N -2.37 0.92 -0.23 1.78 2.19 -0.34 -2.13 117.98 117.80 2kku s PHE 43 Ca 0.34 -1.13 -0.21 0.00 0.33 0.00 0.00 56.93 56.25 2kku s PHE 43 Cb -0.05 -1.19 -0.02 0.00 -1.31 0.00 0.00 43.02 40.45 2kku s PHE 43 CO 0.21 -0.78 0.65 0.08 1.83 0.00 0.00 175.22 177.21 2kku s VAL 44 N 1.89 4.98 -0.13 3.12 1.01 -0.84 -0.52 120.40 129.92 2kku s VAL 44 Ca 0.07 1.21 -0.24 0.00 0.00 0.00 0.00 61.98 63.02 2kku s VAL 44 Cb -0.17 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2kku s VAL 44 CO -0.26 0.05 0.74 -0.36 0.00 0.00 0.00 175.10 175.28 2kku s PHE 45 N 2.29 3.49 -0.24 5.22 0.08 0.16 -2.35 117.98 126.63 2kku s PHE 45 Ca 0.28 1.20 -0.09 0.00 0.12 0.00 0.00 56.93 58.45 2kku s PHE 45 Cb -0.16 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.37 2kku s PHE 45 CO 0.09 -0.08 0.11 -0.47 -0.10 0.00 0.00 175.22 174.78 2kku s TYR 46 N 1.49 3.19 -0.04 0.36 5.04 -0.21 -1.12 117.35 126.05 2kku s TYR 46 Ca 0.37 -0.07 -0.01 0.00 -2.44 0.00 0.00 57.07 54.91 2kku s TYR 46 Cb -0.17 -2.25 -0.00 0.00 0.35 0.00 0.00 41.96 39.89 2kku s TYR 46 CO 0.15 -0.14 0.05 0.37 -1.34 0.00 0.00 175.55 174.64 2kku h GLN 47 N 7.85 -0.02 0.00 4.97 4.15 -1.15 -3.38 115.11 127.53 2kku h GLN 47 Ca -0.37 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.19 2kku h GLN 47 Cb 1.18 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 2kku h GLN 47 CO 0.61 -0.01 0.50 0.45 -1.93 0.00 0.00 178.83 178.44 2kku n SER 48 N -3.27 -1.37 -0.17 -0.69 2.88 -0.76 -5.00 113.62 105.23 2kku n SER 48 Ca -0.00 -1.69 0.10 0.00 -1.33 0.00 0.00 58.87 55.95 2kku n SER 48 Cb 0.01 2.22 0.53 0.00 -0.75 0.00 0.00 64.21 66.22 2kku n SER 48 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kku n HIS 49 N -0.60 0.06 -4.10 0.66 8.25 -1.26 -3.88 115.22 114.34 2kku n HIS 49 Ca -0.01 -0.03 -0.15 0.00 -0.26 0.00 0.00 57.72 57.27 2kku n HIS 49 Cb 0.47 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.54 2kku n HIS 49 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2kku s GLU 50 N -1.94 1.89 0.00 -0.41 2.12 -1.26 -4.87 118.70 114.22 2kku s GLU 50 Ca 0.31 -1.75 0.00 0.00 0.36 0.00 0.00 54.97 53.89 2kku s GLU 50 Cb 0.15 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.98 2kku s GLU 50 CO 0.25 -0.78 0.00 -3.47 -0.54 0.00 0.00 175.26 170.72 2kku n ASP 51 N -1.37 0.00 0.00 -1.70 2.03 -1.26 -2.27 116.55 111.98 2kku n ASP 51 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2kku n ASP 51 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 2kku n ASP 51 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2kku n THR 52 N 0.00 0.00 0.00 5.18 5.66 -1.26 -4.63 114.28 119.23 2kku n THR 52 Ca 0.00 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 2kku n THR 52 Cb 0.00 1.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.92 2kku n THR 52 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kku n GLY 53 N 0.39 1.25 3.72 1.09 0.00 -0.96 -1.15 105.19 109.53 2kku n GLY 53 Ca 0.00 0.42 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 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 3.49 0.17 1.61 0.08 -0.23 -0.67 117.98 122.43 2kku s PHE 54 Ca 0.00 0.75 -0.03 0.00 0.12 0.00 0.00 56.93 57.76 2kku s PHE 54 Cb 0.00 -2.46 0.06 0.00 -0.57 0.00 0.00 43.02 40.05 2kku s PHE 54 CO 0.00 0.19 1.45 -0.24 -0.10 0.00 0.00 175.22 176.53 2kku h VAL 55 N 4.71 1.34 -0.43 -0.44 3.04 -1.37 -3.41 116.25 119.70 2kku h VAL 55 Ca -0.41 -1.97 0.00 0.00 -1.01 0.00 0.00 66.70 63.32 2kku h VAL 55 Cb 1.17 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 2kku h VAL 55 CO 0.76 0.60 0.00 0.61 -1.01 0.00 0.00 177.57 178.53 2kku n GLY 56 N 0.44 1.55 3.68 3.17 0.00 -1.04 -2.84 105.19 110.14 2kku n GLY 56 Ca -0.04 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 0.84 2.02 0.13 1.61 -1.05 0.40 -0.66 118.70 122.00 2kku s GLU 57 Ca 0.00 -1.50 -0.06 0.00 -0.15 0.00 0.00 54.97 53.26 2kku s GLU 57 Cb 0.00 0.54 0.02 0.00 -0.44 0.00 0.00 34.13 34.26 2kku s GLU 57 CO 0.00 -0.90 0.30 0.00 0.95 0.00 0.00 175.26 175.61 2kku n ALA 58 N -0.52 -0.69 -4.06 -0.84 0.00 0.32 -0.24 120.51 114.47 2kku n ALA 58 Ca -0.04 -0.44 -0.31 0.00 0.00 0.00 0.00 53.44 52.65 2kku n ALA 58 Cb 0.61 0.33 -0.16 0.00 0.00 0.00 0.00 19.45 20.23 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 2.57 0.08 0.00 1.81 -0.04 -1.20 118.95 120.14 2kku s ARG 59 Ca 0.06 -0.74 -0.31 0.00 -1.72 0.00 0.00 55.73 53.02 2kku s ARG 59 Cb -0.02 -2.38 -0.07 0.00 -0.45 0.00 0.00 34.95 32.03 2kku s ARG 59 CO 0.04 -0.26 1.43 0.42 -0.68 0.00 0.00 175.30 176.24 2kku s ILE 60 N 1.37 3.38 0.00 1.52 1.01 0.20 -1.97 121.20 126.72 2kku s ILE 60 Ca 0.04 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.61 2kku s ILE 60 Cb -0.14 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2kku s ILE 60 CO -0.11 0.04 0.00 0.29 0.00 0.00 0.00 174.94 175.16 2kku n LYS 61 N 4.57 0.28 -1.06 2.79 4.76 0.89 -0.57 118.16 129.81 2kku n LYS 61 Ca 0.13 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 55.11 2kku n LYS 61 Cb 0.42 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.53 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 0.00 -3.49 1.97 1.85 -1.26 -2.49 116.66 113.24 2kku n ARG 62 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 2kku n ARG 62 Cb 0.00 -1.09 -0.10 0.00 -1.05 0.00 0.00 32.46 30.22 2kku n ARG 62 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kku s VAL 63 N 3.45 5.19 -0.47 8.89 -7.23 -1.26 -2.17 120.40 126.79 2kku s VAL 63 Ca 0.82 -0.61 -0.21 0.00 -1.81 0.00 0.00 61.98 60.17 2kku s VAL 63 Cb -1.09 -3.85 0.03 0.00 0.56 0.00 0.00 36.38 32.03 2kku s VAL 63 CO 0.53 -0.25 0.70 -0.69 -0.31 0.00 0.00 175.10 175.08 2kku s VAL 64 N 1.67 4.75 -0.34 1.32 1.01 -0.32 -4.87 120.40 123.62 2kku s VAL 64 Ca 0.05 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 2kku s VAL 64 Cb -0.19 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 31.91 2kku s VAL 64 CO 0.10 -0.74 0.83 -0.76 0.00 0.00 0.00 175.10 174.53 2kku s LEU 65 N 3.02 4.07 -0.18 3.92 1.43 -1.26 -1.10 118.68 128.58 2kku s LEU 65 Ca 0.23 0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 53.82 2kku s LEU 65 Cb -0.15 -3.13 0.07 0.00 0.03 0.00 0.00 46.19 43.02 2kku s LEU 65 CO 0.18 -0.72 0.42 -0.44 0.23 0.00 0.00 176.35 176.03 2kku s SER 66 N 1.74 -0.46 0.12 2.29 0.01 -0.58 -5.02 113.70 111.80 2kku s SER 66 Ca 0.34 0.94 -0.19 0.00 1.31 0.00 0.00 55.95 58.34 2kku s SER 66 Cb -0.13 0.94 -0.06 0.00 0.21 0.00 0.00 66.02 66.97 2kku s SER 66 CO 0.15 -0.21 1.74 -0.33 0.41 0.00 0.00 173.24 175.01 2kku h GLU 67 N 7.40 0.31 -6.21 12.44 5.08 -1.77 -2.37 114.58 129.46 2kku h GLU 67 Ca -0.31 -0.03 -0.56 0.00 -1.00 0.00 0.00 59.36 57.46 2kku h GLU 67 Cb 1.17 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2kku h GLU 67 CO 0.24 0.26 0.99 -0.80 -1.00 0.00 0.00 179.01 178.70 2kku s ASN 68 N -5.47 6.79 0.60 1.42 0.01 -1.26 -3.76 114.94 113.28 2kku s ASN 68 Ca -0.13 1.88 0.37 0.00 -0.71 0.00 0.00 52.86 54.27 2kku s ASN 68 Cb 0.08 -2.54 1.92 0.00 0.41 0.00 0.00 41.25 41.12 2kku s ASN 68 CO 0.70 -0.87 2.20 1.55 -1.51 0.00 0.00 177.10 179.18 2kku h PRO 69 N 8.93 0.00 0.00 -0.60 0.13 -1.89 -2.81 132.00 135.76 2kku h PRO 69 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2kku h PRO 69 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kku h PRO 69 CO 0.97 0.03 -0.01 0.52 -0.23 0.00 0.00 178.00 179.27 2kku h MET 70 N 0.00 0.00 0.00 0.86 2.86 -1.94 -2.50 114.93 114.21 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 0.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 2kku h MET 70 CO 0.00 0.01 -0.04 1.96 1.06 0.00 0.00 176.91 179.90 2kku h GLN 71 N 0.00 0.00 0.00 1.72 1.08 -1.89 -1.66 115.11 114.37 2kku h GLN 71 Ca -0.00 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.02 2kku h GLN 71 Cb 0.63 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 2kku h GLN 71 CO 0.00 0.04 -0.94 0.74 -0.95 0.00 0.00 178.83 177.72 2kku h PHE 72 N 0.00 0.00 0.00 2.96 0.04 -1.66 -2.73 116.94 115.54 2kku h PHE 72 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kku h PHE 72 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2kku h PHE 72 CO 0.00 0.80 -0.72 0.74 -0.60 0.00 0.00 178.31 178.53 2kku h PHE 73 N 0.00 0.00 0.06 -0.55 0.04 -1.49 0.38 116.94 115.38 2kku h PHE 73 Ca -0.05 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.43 2kku h PHE 73 Cb 1.65 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.78 2kku h PHE 73 CO 0.00 0.00 -1.56 1.05 -0.60 0.00 0.00 178.31 177.20 2kku h GLU 74 N 0.00 0.12 0.00 1.51 4.11 -1.40 -3.24 114.58 115.68 2kku h GLU 74 Ca 0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.22 2kku h GLU 74 Cb 0.91 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2kku h GLU 74 CO 0.00 0.89 -0.12 1.15 0.07 0.00 0.00 179.01 181.01 2kku h THR 75 N 0.03 0.00 0.00 -1.06 2.02 -1.53 -3.44 112.91 108.93 2kku h THR 75 Ca -0.24 -0.96 -0.15 0.00 0.77 0.00 0.00 66.41 65.83 2kku h THR 75 Cb 1.98 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2kku h THR 75 CO 0.12 0.00 -1.20 0.49 0.37 0.00 0.00 175.52 175.30 2kku n PHE 76 N -4.64 0.61 0.00 3.16 3.72 0.01 -4.98 117.46 115.33 2kku n PHE 76 Ca -0.02 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 2kku n PHE 76 Cb 0.06 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 37.74 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 1.47 0.79 0.20 1.37 0.00 -0.50 -2.77 105.19 105.74 2kku n GLY 77 Ca -0.25 0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 0.74 1.61 3.58 -1.86 -2.73 116.42 117.76 2kku h ASP 78 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2kku h ASP 78 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2kku h ASP 78 CO 0.00 0.31 -0.48 0.03 -2.88 0.00 0.00 179.24 176.22 2kku h ARG 79 N 0.00 0.00 -7.13 0.28 2.47 -1.86 -3.45 114.38 104.69 2kku h ARG 79 Ca -0.00 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.21 2kku h ARG 79 Cb 0.60 0.00 0.09 0.00 -1.65 0.00 0.00 29.97 29.01 2kku h ARG 79 CO 0.04 0.48 0.42 0.08 0.56 0.00 0.00 179.97 181.55 2kku s VAL 80 N -3.62 3.07 -0.84 2.04 1.01 -1.03 -0.36 120.40 120.67 2kku s VAL 80 Ca -0.01 0.60 0.09 0.00 0.00 0.00 0.00 61.98 62.66 2kku s VAL 80 Cb 0.12 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.40 2kku s VAL 80 CO 0.72 -0.20 1.27 2.22 0.00 0.00 0.00 175.10 179.11 2kku n PHE 81 N -1.76 0.17 -4.13 5.22 -1.74 -0.98 -4.68 117.46 109.57 2kku n PHE 81 Ca 0.12 0.08 -0.13 0.00 -0.56 0.00 0.00 57.45 56.96 2kku n PHE 81 Cb 0.51 -0.63 -0.07 0.00 1.52 0.00 0.00 39.48 40.81 2kku n PHE 81 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2kku s LEU 82 N -3.34 0.97 0.48 5.98 2.34 -1.26 -4.83 118.68 119.02 2kku s LEU 82 Ca 0.02 -1.33 0.08 0.00 0.06 0.00 0.00 54.13 52.95 2kku s LEU 82 Cb 0.04 1.04 0.02 0.00 -0.56 0.00 0.00 46.19 46.73 2kku s LEU 82 CO 0.13 -1.06 0.53 0.28 -1.06 0.00 0.00 176.35 175.17 2kku s THR 83 N -3.77 2.40 0.44 5.48 -1.32 -1.26 -4.77 115.64 112.84 2kku s THR 83 Ca 0.33 -1.21 0.14 0.00 -1.21 0.00 0.00 61.69 59.73 2kku s THR 83 Cb 0.03 -2.62 0.18 0.00 -1.51 0.00 0.00 72.50 68.58 2kku s THR 83 CO 0.15 0.00 1.99 0.50 -2.21 0.00 0.00 174.62 175.05 2kku h LYS 84 N 0.68 0.04 -0.07 7.08 3.64 -1.90 -1.38 116.57 124.66 2kku h LYS 84 Ca -0.37 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 58.86 2kku h LYS 84 Cb 1.28 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2kku h LYS 84 CO 0.50 0.21 -0.60 0.22 -2.27 0.00 0.00 179.45 177.52 2kku h ASP 85 N 0.04 0.25 0.02 4.20 3.58 -2.00 -1.26 116.42 121.24 2kku h ASP 85 Ca 0.01 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.18 2kku h ASP 85 Cb 0.32 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2kku h ASP 85 CO 0.02 0.79 -0.45 -0.33 -2.88 0.00 0.00 179.24 176.39 2kku h GLU 86 N 0.16 0.52 0.20 0.28 4.39 -1.71 -3.02 114.58 115.41 2kku h GLU 86 Ca -0.01 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 2kku h GLU 86 Cb 1.09 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2kku h GLU 86 CO 0.09 0.87 -0.10 1.25 -1.16 0.00 0.00 179.01 179.96 2kku h LEU 87 N 0.42 -0.23 -0.62 1.33 5.85 -0.99 -1.85 115.31 119.22 2kku h LEU 87 Ca 0.03 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2kku h LEU 87 Cb 0.96 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 2kku h LEU 87 CO 0.08 -0.05 0.23 0.07 -0.34 0.00 0.00 178.44 178.43 2kku h LYS 88 N -0.40 0.93 0.00 1.25 5.09 -1.29 -0.73 116.57 121.42 2kku h LYS 88 Ca -0.03 -0.18 -0.12 0.00 0.09 0.00 0.00 60.65 60.41 2kku h LYS 88 Cb 0.31 -0.14 -0.02 0.00 0.10 0.00 0.00 32.23 32.48 2kku h LYS 88 CO 0.05 0.81 -0.55 1.05 -2.09 0.00 0.00 179.45 178.71 2kku h GLU 89 N 0.87 0.00 -0.19 0.07 4.11 -1.60 -2.61 114.58 115.23 2kku h GLU 89 Ca 0.20 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.60 2kku h GLU 89 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2kku h GLU 89 CO -0.01 0.55 0.00 -0.92 0.07 0.00 0.00 179.01 178.70 2kku h TYR 90 N 0.00 0.37 -0.16 2.06 3.20 -0.67 0.16 116.97 121.93 2kku h TYR 90 Ca -0.01 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.68 2kku h TYR 90 Cb 0.99 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 2kku h TYR 90 CO 0.00 0.54 -0.40 0.52 -1.64 0.00 0.00 178.16 177.18 2kku h MET 91 N 0.10 0.37 0.00 1.82 2.86 -1.13 -2.34 114.93 116.61 2kku h MET 91 Ca 0.06 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 2kku h MET 91 Cb 0.39 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2kku h MET 91 CO 0.01 0.71 -0.62 0.87 1.06 0.00 0.00 176.91 178.95 2kku h LYS 92 N 0.31 0.00 -0.25 1.72 1.79 -1.46 -3.15 116.57 115.53 2kku h LYS 92 Ca 0.03 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.45 2kku h LYS 92 Cb 0.84 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 2kku h LYS 92 CO 0.07 0.62 -0.05 1.03 -1.08 0.00 0.00 179.45 180.04 2kku h SER 93 N 0.00 0.36 0.23 0.86 0.87 -0.43 -0.95 113.55 114.49 2kku h SER 93 Ca -0.01 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2kku h SER 93 Cb 1.30 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2kku h SER 93 CO 0.08 0.46 0.00 0.00 -0.53 0.00 0.00 176.83 176.84 2kku n GLN 94 N -4.29 0.43 0.00 2.24 1.13 -1.01 -3.45 117.38 112.43 2kku n GLN 94 Ca 0.00 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2kku n GLN 94 Cb 0.24 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.09 2kku n GLN 94 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2kku n GLU 95 N -1.17 2.64 0.16 -1.09 -0.00 -0.93 -4.60 120.64 115.65 2kku n GLU 95 Ca 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.30 2kku n GLU 95 Cb 0.12 -0.85 0.22 0.00 -0.00 0.00 0.00 31.44 30.94 2kku n GLU 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 2kku h ARG 96 N 0.00 0.00 0.00 3.44 0.11 -1.25 -3.05 114.38 113.63 2kku h ARG 96 Ca 0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 2kku h ARG 96 Cb 0.70 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 2kku h ARG 96 CO 0.00 0.52 -1.36 0.91 0.10 0.00 0.00 179.97 180.14 2kku n TRP 97 N -3.61 0.73 0.00 4.08 5.03 -1.22 -5.05 117.44 117.40 2kku n TRP 97 Ca -0.00 0.22 0.00 0.00 3.03 0.00 0.00 57.50 60.75 2kku n TRP 97 Cb 0.59 -0.90 0.00 0.00 -1.03 0.00 0.00 31.31 29.97 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 1.27 0.93 1.20 6.99 0.00 -1.15 -5.15 105.19 109.28 2kku n GLY 98 Ca -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2kku n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kku n ARG 99 N -0.49 -2.87 -2.10 1.61 0.63 -1.26 -3.56 116.66 108.62 2kku n ARG 99 Ca 0.00 2.20 -0.43 0.00 -0.92 0.00 0.00 57.85 58.70 2kku n ARG 99 Cb 0.00 -2.22 -0.03 0.00 0.45 0.00 0.00 32.46 30.67 2kku n ARG 99 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2kku s ARG 100 N -2.22 3.62 -0.68 -0.14 0.52 -1.26 -4.50 118.95 114.29 2kku s ARG 100 Ca 0.00 1.50 -0.25 0.00 -0.52 0.00 0.00 55.73 56.46 2kku s ARG 100 Cb 0.00 -4.09 -0.13 0.00 0.52 0.00 0.00 34.95 31.26 2kku s ARG 100 CO 0.00 -1.51 2.43 2.89 0.02 0.00 0.00 175.30 179.14 2kku n ARG 101 N 7.96 0.69 -3.81 3.54 0.00 -1.26 -4.91 116.66 118.87 2kku n ARG 101 Ca 0.20 -0.28 -0.28 0.00 -0.00 0.00 0.00 57.85 57.48 2kku n ARG 101 Cb 0.46 -3.14 -0.16 0.00 -0.00 0.00 0.00 32.46 29.62 2kku n ARG 101 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kku s GLU 102 N 8.49 1.01 0.00 2.89 2.02 -1.26 -4.93 118.70 126.92 2kku s GLU 102 Ca 1.03 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.41 2kku s GLU 102 Cb -0.33 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.64 2kku s GLU 102 CO 0.25 -0.62 0.00 -1.13 0.02 0.00 0.00 175.26 173.78 2kku n SER 103 N 4.92 0.18 0.00 -0.19 3.41 -1.26 -5.08 113.62 115.59 2kku n SER 103 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2kku n SER 103 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2kku n SER 103 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kku n LYS 104 N -1.90 0.00 -3.57 4.33 3.00 -1.26 -4.72 118.16 114.03 2kku n LYS 104 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 2kku n LYS 104 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.04 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 0.00 3.53 0.78 1.64 2.20 -1.26 -5.10 119.74 121.53 2kku s LYS 105 Ca 0.00 -0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 55.20 2kku s LYS 105 Cb 0.00 -2.77 0.07 0.00 -1.51 0.00 0.00 37.83 33.62 2kku s LYS 105 CO 0.00 0.31 1.13 -1.59 -0.36 0.00 0.00 175.35 174.84 2kku s LYS 106 N -3.61 2.04 0.17 4.03 0.00 -1.26 -5.06 119.74 116.03 2kku s LYS 106 Ca 0.40 1.40 0.07 0.00 0.00 0.00 0.00 55.97 57.83 2kku s LYS 106 Cb -0.11 -1.86 -0.04 0.00 0.00 0.00 0.00 37.83 35.83 2kku s LYS 106 CO 0.31 -1.84 0.00 0.21 0.00 0.00 0.00 175.35 174.03 2kku s LYS 107 N -4.53 2.43 -0.23 1.78 2.47 -1.26 -5.05 119.74 115.35 2kku s LYS 107 Ca 0.66 -1.08 -0.29 0.00 -1.56 0.00 0.00 55.97 53.70 2kku s LYS 107 Cb -0.21 -2.38 -0.01 0.00 -1.46 0.00 0.00 37.83 33.77 2kku s LYS 107 CO 0.52 0.46 1.37 -1.17 0.16 0.00 0.00 175.35 176.69 2kku s LEU 108 N -2.90 4.01 0.28 5.43 1.98 -1.26 -4.39 118.68 121.83 2kku s LEU 108 Ca 0.27 1.51 0.08 0.00 -2.89 0.00 0.00 54.13 53.10 2kku s LEU 108 Cb -0.09 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.18 2kku s LEU 108 CO 0.19 -1.00 0.18 0.26 -1.89 0.00 0.00 176.35 174.09 2kku s TRP 109 N 4.21 2.94 -0.10 5.38 0.52 -0.89 -2.84 118.94 128.17 2kku s TRP 109 Ca 0.59 -0.21 -0.05 0.00 0.02 0.00 0.00 56.10 56.46 2kku s TRP 109 Cb -0.21 -1.48 0.04 0.00 -1.15 0.00 0.00 33.47 30.67 2kku s TRP 109 CO 0.22 0.44 0.22 0.00 0.02 0.00 0.00 176.95 177.85 2kku s MET 110 N -3.85 0.19 -0.47 4.98 0.23 0.48 -1.52 119.30 119.33 2kku s MET 110 Ca 0.35 0.48 -0.14 0.00 -1.03 0.00 0.00 55.69 55.35 2kku s MET 110 Cb -0.06 -0.11 0.09 0.00 -1.53 0.00 0.00 34.83 33.21 2kku s MET 110 CO 0.24 -0.15 0.38 0.00 -2.03 0.00 0.00 175.02 173.46 2kku s ALA 111 N 1.15 3.51 -0.24 3.16 0.00 -0.26 -1.25 121.76 127.82 2kku s ALA 111 Ca -0.09 -2.24 -0.20 0.00 0.00 0.00 0.00 51.96 49.44 2kku s ALA 111 Cb -0.10 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 2kku s ALA 111 CO -0.07 -1.79 0.60 0.42 0.00 0.00 0.00 175.76 174.92 2kku s ILE 112 N 1.57 5.02 -0.46 0.00 1.01 -0.49 -1.18 121.20 126.66 2kku s ILE 112 Ca 0.04 1.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.47 2kku s ILE 112 Cb -0.25 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.33 2kku s ILE 112 CO 0.04 0.06 1.25 -0.70 0.00 0.00 0.00 174.94 175.59 2kku s GLU 113 N 2.32 3.65 -0.45 2.79 2.12 -0.92 -0.89 118.70 127.31 2kku s GLU 113 Ca 0.25 0.68 -0.18 0.00 0.36 0.00 0.00 54.97 56.08 2kku s GLU 113 Cb -0.16 -3.96 0.03 0.00 0.26 0.00 0.00 34.13 30.31 2kku s GLU 113 CO 0.09 -1.48 0.52 -0.51 -0.54 0.00 0.00 175.26 173.34 2kku s LEU 114 N 4.87 4.87 0.41 2.70 2.01 0.76 -0.08 118.68 134.22 2kku s LEU 114 Ca 0.53 -0.71 0.05 0.00 0.01 0.00 0.00 54.13 54.01 2kku s LEU 114 Cb -0.09 -2.45 -0.06 0.00 0.01 0.00 0.00 46.19 43.60 2kku s LEU 114 CO 0.32 -0.69 0.03 -1.83 1.01 0.00 0.00 176.35 175.19 2kku s GLU 115 N 2.35 1.92 -1.38 1.70 -1.05 -0.83 0.01 118.70 121.42 2kku s GLU 115 Ca 0.14 -2.13 -0.09 0.00 -0.15 0.00 0.00 54.97 52.75 2kku s GLU 115 Cb -0.17 -1.29 0.02 0.00 -0.44 0.00 0.00 34.13 32.24 2kku s GLU 115 CO 0.14 -0.20 1.14 -3.47 0.95 0.00 0.00 175.26 173.82 2kku n ASP 116 N -0.99 -5.86 -4.59 0.83 2.03 -1.15 -0.86 116.55 105.96 2kku n ASP 116 Ca -0.07 -0.58 -0.42 0.00 0.52 0.00 0.00 54.79 54.23 2kku n ASP 116 Cb 0.67 -4.86 -0.03 0.00 -0.72 0.00 0.00 41.12 36.18 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 -3.32 3.58 -0.36 5.18 1.01 -1.24 -4.35 120.40 120.89 2kku s VAL 117 Ca 0.56 0.55 -0.18 0.00 0.00 0.00 0.00 61.98 62.91 2kku s VAL 117 Cb -0.25 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 2kku s VAL 117 CO 0.75 -0.63 0.53 -0.75 0.00 0.00 0.00 175.10 175.00 2kku s LYS 118 N 5.71 3.59 0.21 2.72 2.47 0.67 -4.94 119.74 130.16 2kku s LYS 118 Ca 0.72 -0.17 -0.30 0.00 -1.56 0.00 0.00 55.97 54.65 2kku s LYS 118 Cb -0.18 -3.82 -0.08 0.00 -1.46 0.00 0.00 37.83 32.29 2kku s LYS 118 CO 0.31 -0.68 1.13 0.15 0.16 0.00 0.00 175.35 176.41 2kku s LYS 119 N 2.44 4.57 -0.46 4.03 -0.14 -1.26 -0.45 119.74 128.47 2kku s LYS 119 Ca 0.19 1.79 -0.29 0.00 -1.36 0.00 0.00 55.97 56.31 2kku s LYS 119 Cb -0.15 -3.24 0.03 0.00 -1.68 0.00 0.00 37.83 32.78 2kku s LYS 119 CO 0.14 0.06 1.11 0.71 -0.76 0.00 0.00 175.35 176.61 2kku s TYR 120 N -0.43 2.86 0.54 3.18 2.02 -1.13 -4.90 117.35 119.49 2kku s TYR 120 Ca 0.49 0.73 0.34 0.00 -0.37 0.00 0.00 57.07 58.26 2kku s TYR 120 Cb -0.31 -4.33 1.90 0.00 -0.40 0.00 0.00 41.96 38.82 2kku s TYR 120 CO 0.37 -1.21 2.23 0.22 -1.57 0.00 0.00 175.55 175.59 2kku h ASP 121 N 9.11 0.00 -4.21 2.29 3.58 -1.95 -3.44 116.42 121.80 2kku h ASP 121 Ca -0.23 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.67 2kku h ASP 121 Cb 1.06 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 41.89 2kku h ASP 121 CO 1.11 0.03 -0.83 -1.59 -2.88 0.00 0.00 179.24 175.08 2kku s LYS 122 N -4.31 1.15 -0.64 0.28 -2.85 -1.26 -5.08 119.74 107.02 2kku s LYS 122 Ca -0.04 -1.12 -0.26 0.00 -1.00 0.00 0.00 55.97 53.55 2kku s LYS 122 Cb 0.14 -1.38 -0.11 0.00 -2.06 0.00 0.00 37.83 34.41 2kku s LYS 122 CO 0.51 0.33 2.43 -2.30 0.10 0.00 0.00 175.35 176.42 2kku n PRO 123 N 1.21 0.77 -3.42 1.78 -0.02 -1.26 -4.95 135.00 129.12 2kku n PRO 123 Ca -0.19 -0.25 -0.44 0.00 -2.02 0.00 0.00 63.50 60.60 2kku n PRO 123 Cb 0.54 -3.26 -0.09 0.00 -0.02 0.00 0.00 33.50 30.66 2kku n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kku s ILE 124 N 12.27 5.24 0.51 4.25 1.01 -0.30 -4.92 121.20 139.26 2kku s ILE 124 Ca 1.01 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 60.56 2kku s ILE 124 Cb -0.28 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.07 2kku s ILE 124 CO 0.24 -0.47 1.06 -1.59 0.00 0.00 0.00 174.94 174.19 2kku s LYS 125 N 1.66 3.66 0.84 2.79 0.00 -1.26 -1.07 119.74 126.35 2kku s LYS 125 Ca 0.04 1.42 -0.11 0.00 0.00 0.00 0.00 55.97 57.32 2kku s LYS 125 Cb -0.22 -2.07 0.09 0.00 0.00 0.00 0.00 37.83 35.63 2kku s LYS 125 CO 0.08 -0.56 1.10 -1.25 0.00 0.00 0.00 175.35 174.71 2kku s PRO 126 N -3.29 1.76 0.12 1.78 0.04 -1.26 -4.83 135.00 129.32 2kku s PRO 126 Ca 0.69 0.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.31 2kku s PRO 126 Cb -0.18 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 2kku s PRO 126 CO 0.23 -1.86 1.43 -0.22 0.04 0.00 0.00 177.00 176.62 2kku h LYS 127 N -1.27 0.83 -3.60 4.56 3.11 -2.03 -3.48 116.57 114.70 2kku h LYS 127 Ca -0.48 -0.46 -0.14 0.00 -2.81 0.00 0.00 60.65 56.76 2kku h LYS 127 Cb 1.27 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 32.48 2kku h LYS 127 CO 0.57 1.10 0.01 -0.98 -2.81 0.00 0.00 179.45 177.34 2kku s ARG 128 N -4.31 1.98 0.23 1.90 1.70 -1.26 -5.15 118.95 114.03 2kku s ARG 128 Ca -0.12 -1.54 -0.32 0.00 -0.47 0.00 0.00 55.73 53.29 2kku s ARG 128 Cb 0.10 0.52 -0.13 0.00 -0.57 0.00 0.00 34.95 34.87 2kku s ARG 128 CO 0.86 -0.87 1.54 1.47 -1.08 0.00 0.00 175.30 177.23 2kku n LEU 129 N -0.52 3.51 -4.01 -1.89 -0.00 -1.26 -5.01 117.00 107.81 2kku n LEU 129 Ca -0.03 1.12 -0.31 0.00 -0.00 0.00 0.00 56.01 56.78 2kku n LEU 129 Cb 0.61 -1.48 -0.14 0.00 -0.00 0.00 0.00 43.42 42.40 2kku n LEU 129 CO 0.27 -0.20 -0.28 -0.69 -0.00 0.00 0.00 177.39 176.48 2kku s VAL 130 N 0.37 2.44 0.75 1.47 1.01 -1.26 -4.91 120.40 120.27 2kku s VAL 130 Ca 0.71 -2.53 -0.13 0.00 0.00 0.00 0.00 61.98 60.03 2kku s VAL 130 Cb -0.60 -2.77 0.18 0.00 0.00 0.00 0.00 36.38 33.19 2kku s VAL 130 CO 0.44 -0.65 0.85 -0.81 0.00 0.00 0.00 175.10 174.93 2kku n PRO 131 N 4.04 -1.58 0.26 2.72 -0.04 -1.26 -4.51 135.00 134.62 2kku n PRO 131 Ca 0.04 -1.33 0.11 0.00 -0.04 0.00 0.00 63.50 62.28 2kku n PRO 131 Cb 0.40 -1.02 0.69 0.00 -0.04 0.00 0.00 33.50 33.53 2kku n PRO 131 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2kku h VAL 132 N -1.88 0.76 0.00 0.52 3.04 -2.00 0.06 116.25 116.75 2kku h VAL 132 Ca -0.29 -0.42 -0.01 0.00 -1.01 0.00 0.00 66.70 64.97 2kku h VAL 132 Cb 0.84 1.25 -0.00 0.00 -2.01 0.00 0.00 31.29 31.37 2kku h VAL 132 CO 0.20 0.11 -0.03 1.23 -1.01 0.00 0.00 177.57 178.07 2kku h GLY 133 N 0.53 0.00 -0.33 3.17 0.00 -1.98 -3.47 103.07 100.99 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 -0.08 0.61 0.00 0.00 0.00 176.54 177.08 2kku n GLY 134 N 0.34 -2.93 3.74 4.60 0.00 0.01 -4.84 105.19 106.11 2kku n GLY 134 Ca 0.01 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.32 2.74 -0.21 1.61 -1.52 -0.79 -4.88 119.66 112.30 2kku s GLN 135 Ca 0.00 -0.81 -0.20 0.00 -1.95 0.00 0.00 55.36 52.40 2kku s GLN 135 Cb 0.00 -2.62 -0.03 0.00 -0.22 0.00 0.00 33.01 30.14 2kku s GLN 135 CO 0.00 0.53 0.61 0.71 -0.25 0.00 0.00 175.29 176.89 2kku s TYR 136 N -1.47 3.36 -0.31 0.91 2.02 -1.26 -1.22 117.35 119.37 2kku s TYR 136 Ca 0.28 0.87 -0.21 0.00 -0.37 0.00 0.00 57.07 57.64 2kku s TYR 136 Cb -0.11 -2.78 -0.00 0.00 -0.40 0.00 0.00 41.96 38.66 2kku s TYR 136 CO 0.21 -0.19 0.69 -1.17 -1.57 0.00 0.00 175.55 173.52 2kku s LEU 137 N 1.97 4.14 -0.07 -1.29 0.20 -0.55 -4.93 118.68 118.15 2kku s LEU 137 Ca 0.27 0.47 0.01 0.00 0.69 0.00 0.00 54.13 55.57 2kku s LEU 137 Cb -0.16 -2.91 0.02 0.00 -0.43 0.00 0.00 46.19 42.71 2kku s LEU 137 CO 0.10 -0.55 -0.10 0.00 -0.29 0.00 0.00 176.35 175.51 2kku s ARG 138 N 2.76 1.51 0.00 1.98 3.03 -1.26 -1.64 118.95 125.33 2kku s ARG 138 Ca 0.28 -0.32 0.00 0.00 2.03 0.00 0.00 55.73 57.72 2kku s ARG 138 Cb -0.14 -1.36 0.00 0.00 -1.03 0.00 0.00 34.95 32.42 2kku s ARG 138 CO 0.13 -0.07 0.00 -1.91 -1.13 0.00 0.00 175.30 172.32