#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 0.51 6.12 0.87 -1.95 -2.74 113.55 116.36 2kku h SER 2 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kku h SER 2 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kku h SER 2 CO 0.00 0.00 -0.01 0.07 -0.53 0.00 0.00 176.83 176.36 2kku h LYS 3 N 0.00 0.00 -1.85 2.24 2.10 -1.97 -3.49 116.57 113.60 2kku h LYS 3 Ca 0.00 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 58.87 2kku h LYS 3 Cb 0.26 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.53 2kku h LYS 3 CO 0.00 0.01 -0.33 -0.89 -2.00 0.00 0.00 179.45 176.24 2kku n ILE 4 N -3.14 0.00 0.00 0.07 2.08 -1.03 -4.92 119.36 112.42 2kku n ILE 4 Ca -0.01 0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.34 2kku n ILE 4 Cb 0.20 -0.32 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 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 -2.95 0.00 -2.42 1.39 0.24 -0.72 -3.01 118.33 110.86 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 0.38 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.69 1.89 3.34 7.63 0.00 -0.84 -1.88 105.19 116.02 2kku n GLY 6 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.38 1.98 -0.05 1.61 0.11 -0.84 -1.14 120.40 119.69 2kku s VAL 7 Ca 0.00 -1.73 0.05 0.00 -2.93 0.00 0.00 61.98 57.37 2kku s VAL 7 Cb 0.00 -1.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.04 2kku s VAL 7 CO 0.00 -0.06 -0.21 0.28 -3.33 0.00 0.00 175.10 171.78 2kku s THR 8 N -1.33 1.71 -0.01 5.04 -1.32 -0.11 -1.41 115.64 118.22 2kku s THR 8 Ca 0.12 -0.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.73 2kku s THR 8 Cb -0.09 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 2kku s THR 8 CO 0.06 0.48 -0.03 -0.31 -2.21 0.00 0.00 174.62 172.61 2kku s TYR 9 N -0.08 0.30 -1.04 9.09 1.51 -1.00 -1.63 117.35 124.51 2kku s TYR 9 Ca -0.03 -0.05 0.21 0.00 -1.01 0.00 0.00 57.07 56.19 2kku s TYR 9 Cb -0.12 -0.22 0.91 0.00 -0.11 0.00 0.00 41.96 42.42 2kku s TYR 9 CO 0.03 -0.02 1.67 -0.35 -1.11 0.00 0.00 175.55 175.77 2kku n PRO 10 N 3.12 0.03 -1.84 -1.71 -0.04 -1.25 -0.85 135.00 132.45 2kku n PRO 10 Ca -0.14 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2kku n PRO 10 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2kku n PRO 10 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2kku n ILE 11 N -1.48-11.14 0.12 0.52 2.08 -1.26 -4.78 119.36 103.42 2kku n ILE 11 Ca 0.06 2.65 0.04 0.00 0.56 0.00 0.00 62.75 66.05 2kku n ILE 11 Cb 0.24 -5.03 0.21 0.00 -0.75 0.00 0.00 39.64 34.31 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 1.48 0.05 -4.41 0.38 -0.04 -1.26 -4.67 135.00 126.53 2kku n PRO 12 Ca 0.00 0.51 -0.22 0.00 -0.04 0.00 0.00 63.50 63.74 2kku n PRO 12 Cb 0.00 -1.64 -0.08 0.00 -0.04 0.00 0.00 33.50 31.74 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 -3.16 1.79 0.00 0.54 1.02 -1.26 -5.04 119.74 113.62 2kku s LYS 13 Ca 0.00 -2.06 0.18 0.00 0.02 0.00 0.00 55.97 54.12 2kku s LYS 13 Cb 0.03 -0.28 0.91 0.00 -0.52 0.00 0.00 37.83 37.97 2kku s LYS 13 CO 0.10 -0.50 1.55 -2.13 -0.92 0.00 0.00 175.35 173.45 2kku n ARG 14 N -0.75 0.25 0.00 1.68 0.00 -1.26 -3.86 116.66 112.71 2kku n ARG 14 Ca -0.01 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 2kku n ARG 14 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.60 2kku n ARG 14 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kku n PHE 15 N -1.30 0.00 -0.01 -0.14 3.72 -1.26 -1.63 117.46 116.84 2kku n PHE 15 Ca 0.08 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.61 2kku n PHE 15 Cb 0.15 -0.03 0.56 0.00 -0.94 0.00 0.00 39.48 39.21 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 0.17 0.25 -0.76 -1.08 -0.00 -1.92 -2.66 114.93 108.93 2kku h MET 16 Ca 0.00 -0.02 0.17 0.00 -0.00 0.00 0.00 59.70 59.86 2kku h MET 16 Cb 0.17 -0.06 -0.12 0.00 -0.00 0.00 0.00 31.60 31.60 2kku h MET 16 CO 0.00 0.17 0.16 0.22 -0.00 0.00 0.00 176.91 177.46 2kku h ASP 17 N 0.26 -0.04 -0.73 -0.10 3.58 -1.66 -2.70 116.42 115.03 2kku h ASP 17 Ca 0.22 0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.89 2kku h ASP 17 Cb 0.54 0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.78 2kku h ASP 17 CO -0.05 -0.08 0.48 0.03 -2.88 0.00 0.00 179.24 176.75 2kku h ARG 18 N 0.23 0.79 0.00 0.28 2.47 -1.73 0.47 114.38 116.90 2kku h ARG 18 Ca 0.43 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 59.04 2kku h ARG 18 Cb 0.77 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 2kku h ARG 18 CO -0.55 0.52 -0.30 0.74 0.56 0.00 0.00 179.97 180.94 2kku h PHE 19 N 0.81 0.00 0.00 3.04 -1.00 -1.63 -2.60 116.94 115.56 2kku h PHE 19 Ca 0.30 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.08 2kku h PHE 19 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 2kku h PHE 19 CO -0.00 0.30 -1.40 1.19 -1.61 0.00 0.00 178.31 176.79 2kku n PHE 20 N -4.09 0.09 -0.03 -0.55 3.72 -0.06 -2.77 117.46 113.78 2kku n PHE 20 Ca -0.02 0.03 -0.16 0.00 -0.05 0.00 0.00 57.45 57.25 2kku n PHE 20 Cb 0.35 -0.33 -0.13 0.00 -0.94 0.00 0.00 39.48 38.43 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 0.12 0.00 -1.08 3.11 0.17 -3.36 116.57 115.54 2kku h LYS 21 Ca 0.00 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.67 2kku h LYS 21 Cb 0.77 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.05 2kku h LYS 21 CO 0.00 1.01 -1.11 0.36 -2.81 0.00 0.00 179.45 176.90 2kku n LYS 22 N -4.48 0.82 0.00 1.90 2.85 -1.01 -5.00 118.16 113.24 2kku n LYS 22 Ca -0.11 -0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 2kku n LYS 22 Cb 0.55 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 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 1.43 2.37 3.34 2.58 0.00 -1.11 -4.93 105.19 108.86 2kku n GLY 23 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.40 0.46 0.21 1.61 -2.85 -1.21 -2.25 119.74 115.31 2kku s LYS 24 Ca 0.00 0.98 0.03 0.00 -1.00 0.00 0.00 55.97 55.98 2kku s LYS 24 Cb 0.00 0.57 -0.01 0.00 -2.06 0.00 0.00 37.83 36.33 2kku s LYS 24 CO 0.00 -0.34 0.11 -3.47 0.10 0.00 0.00 175.35 171.75 2kku n ASP 25 N 5.36 0.59 -3.76 0.03 2.03 -0.09 -4.86 116.55 115.84 2kku n ASP 25 Ca -0.07 -2.22 -0.23 0.00 0.52 0.00 0.00 54.79 52.79 2kku n ASP 25 Cb 0.51 0.70 -0.18 0.00 -0.72 0.00 0.00 41.12 41.44 2kku n ASP 25 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kku s VAL 26 N -2.52 0.34 -0.34 5.18 1.01 0.55 -0.33 120.40 124.28 2kku s VAL 26 Ca 0.15 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 2kku s VAL 26 Cb 0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 2kku s VAL 26 CO 0.11 0.22 0.50 0.12 0.00 0.00 0.00 175.10 176.05 2kku s PHE 27 N 1.98 3.19 0.06 5.22 5.36 -0.15 -1.71 117.98 131.93 2kku s PHE 27 Ca 0.05 0.24 -0.12 0.00 -0.96 0.00 0.00 56.93 56.14 2kku s PHE 27 Cb -0.13 -2.88 -0.06 0.00 -0.34 0.00 0.00 43.02 39.62 2kku s PHE 27 CO -0.05 -0.49 0.41 0.14 -1.46 0.00 0.00 175.22 173.77 2kku s VAL 28 N 2.36 5.06 -0.03 3.12 -7.23 -1.26 -0.94 120.40 121.48 2kku s VAL 28 Ca 0.19 0.59 0.03 0.00 -1.81 0.00 0.00 61.98 60.98 2kku s VAL 28 Cb -0.15 -3.67 -0.00 0.00 0.56 0.00 0.00 36.38 33.12 2kku s VAL 28 CO 0.13 0.37 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.63 2kku s LYS 29 N -1.66 1.21 -0.75 4.82 -0.14 -0.12 -4.99 119.74 118.11 2kku s LYS 29 Ca 0.30 -0.41 -0.07 0.00 -1.36 0.00 0.00 55.97 54.43 2kku s LYS 29 Cb -0.15 -1.10 -0.16 0.00 -1.68 0.00 0.00 37.83 34.74 2kku s LYS 29 CO 0.17 0.17 3.00 -0.35 -0.76 0.00 0.00 175.35 177.58 2kku n PRO 30 N 3.18 2.56 -2.89 -1.68 -0.04 -1.26 -0.42 135.00 134.46 2kku n PRO 30 Ca -0.18 -1.47 -0.02 0.00 -0.04 0.00 0.00 63.50 61.80 2kku n PRO 30 Cb 0.54 -2.34 -0.01 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 3.17 -2.63 0.01 0.55 0.00 -1.07 -4.80 120.51 115.74 2kku n ALA 31 Ca 0.55 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.76 2kku n ALA 31 Cb 0.50 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.52 0.07 -4.03 0.00 -1.04 -1.26 -5.03 114.28 104.52 2kku n THR 32 Ca -0.11 0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.61 2kku n THR 32 Cb 0.29 -1.18 -0.15 0.00 -1.82 0.00 0.00 70.33 67.47 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 2.04 0.00 12.58 -7.23 -1.26 -4.89 120.40 119.64 2kku s VAL 33 Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 2kku s VAL 33 Cb 0.00 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2kku s VAL 33 CO 0.00 -0.19 0.04 -2.67 -0.31 0.00 0.00 175.10 171.98 2kku n TRP 34 N 4.45 0.00 0.16 2.82 4.27 -1.26 -4.71 117.44 123.16 2kku n TRP 34 Ca -0.09 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.38 2kku n TRP 34 Cb 0.42 0.02 -0.08 0.00 -1.36 0.00 0.00 31.31 30.31 2kku n TRP 34 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 2kku h LYS 35 N 0.00 -0.37 -0.00 -2.67 1.57 -2.04 -3.33 116.57 109.73 2kku h LYS 35 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2kku h LYS 35 Cb 0.56 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2kku h LYS 35 CO 0.00 -0.10 -0.42 0.39 -0.57 0.00 0.00 179.45 178.74 2kku n GLU 36 N -5.16 2.78 -1.85 3.15 -0.58 -1.26 -5.00 120.64 112.72 2kku n GLU 36 Ca -0.10 -0.25 -0.41 0.00 -0.42 0.00 0.00 57.16 55.98 2kku n GLU 36 Cb 0.23 -1.07 -0.03 0.00 -0.57 0.00 0.00 31.44 30.00 2kku n GLU 36 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2kku s LEU 37 N -2.23 3.44 0.05 -4.62 1.98 -1.25 -4.97 118.68 111.08 2kku s LEU 37 Ca 0.06 1.27 0.02 0.00 -2.89 0.00 0.00 54.13 52.59 2kku s LEU 37 Cb 0.09 -3.23 -0.03 0.00 0.66 0.00 0.00 46.19 43.68 2kku s LEU 37 CO 0.40 -2.03 -0.08 -1.59 -1.89 0.00 0.00 176.35 171.17 2kku s LYS 38 N 6.38 0.60 -0.55 1.98 0.00 -1.26 -4.92 119.74 121.97 2kku s LYS 38 Ca 0.85 -0.89 -0.27 0.00 0.00 0.00 0.00 55.97 55.66 2kku s LYS 38 Cb -0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 37.83 37.31 2kku s LYS 38 CO 0.31 0.04 1.81 -1.25 0.00 0.00 0.00 175.35 176.25 2kku s PRO 39 N -2.09 2.83 0.00 1.78 0.04 -1.26 -2.94 135.00 133.36 2kku s PRO 39 Ca -0.05 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2kku s PRO 39 Cb -0.07 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2kku s PRO 39 CO -0.01 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 174.96 2kku n GLY 40 N 5.60 0.53 2.95 0.56 0.00 0.24 -4.89 105.19 110.19 2kku n GLY 40 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2kku n GLY 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kku n MET 41 N 0.00 -1.93 -3.85 1.61 2.81 -1.15 -4.79 117.12 109.82 2kku n MET 41 Ca 0.00 -1.52 -0.21 0.00 -1.81 0.00 0.00 57.70 54.16 2kku n MET 41 Cb 0.00 -1.21 -0.03 0.00 -0.71 0.00 0.00 33.22 31.27 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 -5.16 2.95 -0.28 0.03 -2.85 -0.79 -0.45 119.74 113.20 2kku s LYS 42 Ca 0.59 -1.10 -0.02 0.00 -1.00 0.00 0.00 55.97 54.44 2kku s LYS 42 Cb -0.04 -2.62 0.09 0.00 -2.06 0.00 0.00 37.83 33.20 2kku s LYS 42 CO 0.43 0.22 0.09 0.12 0.10 0.00 0.00 175.35 176.31 2kku s PHE 43 N -2.19 1.21 -0.20 1.78 2.19 -0.52 -1.98 117.98 118.27 2kku s PHE 43 Ca 0.39 -1.34 -0.20 0.00 0.33 0.00 0.00 56.93 56.11 2kku s PHE 43 Cb -0.08 -1.37 -0.03 0.00 -1.31 0.00 0.00 43.02 40.24 2kku s PHE 43 CO 0.27 -0.81 0.58 0.08 1.83 0.00 0.00 175.22 177.18 2kku s VAL 44 N 1.79 5.06 -0.43 3.12 1.01 -0.50 -0.66 120.40 129.79 2kku s VAL 44 Ca 0.07 1.09 -0.26 0.00 0.00 0.00 0.00 61.98 62.89 2kku s VAL 44 Cb -0.17 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.33 2kku s VAL 44 CO -0.25 0.14 0.94 -0.36 0.00 0.00 0.00 175.10 175.57 2kku s PHE 45 N 1.78 2.96 0.11 5.22 0.08 0.09 -2.37 117.98 125.85 2kku s PHE 45 Ca 0.27 0.53 -0.27 0.00 0.12 0.00 0.00 56.93 57.59 2kku s PHE 45 Cb -0.16 -3.91 -0.06 0.00 -0.57 0.00 0.00 43.02 38.32 2kku s PHE 45 CO 0.10 -1.03 0.82 -0.47 -0.10 0.00 0.00 175.22 174.55 2kku s TYR 46 N 3.72 3.82 0.43 0.36 5.04 -0.03 -0.81 117.35 129.88 2kku s TYR 46 Ca 0.38 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.66 2kku s TYR 46 Cb -0.10 -2.87 0.00 0.00 0.35 0.00 0.00 41.96 39.34 2kku s TYR 46 CO 0.24 0.34 0.63 -1.14 -1.34 0.00 0.00 175.55 174.28 2kku s GLN 47 N -0.43 2.99 1.43 4.97 0.74 -0.08 -3.95 119.66 125.33 2kku s GLN 47 Ca 0.40 -0.70 -0.22 0.00 0.05 0.00 0.00 55.36 54.89 2kku s GLN 47 Cb -0.22 -2.62 0.37 0.00 1.10 0.00 0.00 33.01 31.63 2kku s GLN 47 CO 0.26 -0.25 0.92 0.45 -0.55 0.00 0.00 175.29 176.12 2kku s SER 48 N -4.24 -1.12 0.00 6.67 0.15 -1.26 -4.84 113.70 109.05 2kku s SER 48 Ca 0.49 0.93 0.00 0.00 0.70 0.00 0.00 55.95 58.07 2kku s SER 48 Cb -0.10 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 2kku s SER 48 CO 0.36 -5.41 0.42 0.00 1.20 0.00 0.00 173.24 169.81 2kku n HIS 49 N -5.67 0.00 0.14 3.44 1.44 -1.26 -4.00 115.22 109.31 2kku n HIS 49 Ca 0.12 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.77 2kku n HIS 49 Cb 0.60 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.66 2kku n HIS 49 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2kku h GLU 50 N 0.15 -0.37 -1.25 -1.40 5.08 -2.03 -3.49 114.58 111.28 2kku h GLU 50 Ca 0.00 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.56 2kku h GLU 50 Cb 0.07 0.08 -0.26 0.00 0.50 0.00 0.00 28.75 29.14 2kku h GLU 50 CO 0.00 -0.24 0.79 0.34 -1.00 0.00 0.00 179.01 178.90 2kku s ASP 51 N -3.28 -0.17 -0.17 1.42 2.15 -1.26 -5.12 116.67 110.25 2kku s ASP 51 Ca -0.06 0.20 -0.12 0.00 0.43 0.00 0.00 52.55 53.01 2kku s ASP 51 Cb 0.01 0.16 0.04 0.00 -0.30 0.00 0.00 42.92 42.83 2kku s ASP 51 CO 0.17 -0.14 0.23 0.41 -0.17 0.00 0.00 175.17 175.66 2kku n THR 52 N 0.72-12.08 -0.16 1.71 -1.04 -1.26 -4.90 114.28 97.27 2kku n THR 52 Ca -0.05 2.56 0.07 0.00 -2.04 0.00 0.00 64.05 64.60 2kku n THR 52 Cb 0.58 -6.29 0.38 0.00 -1.82 0.00 0.00 70.33 63.18 2kku n THR 52 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2kku h GLY 53 N 3.72 0.89 -7.40 3.41 0.00 -1.86 -3.37 103.07 98.46 2kku h GLY 53 Ca -0.52 -0.28 -0.72 0.00 0.00 0.00 0.00 47.33 45.81 2kku h GLY 53 CO 0.01 0.20 -0.45 -1.36 0.00 0.00 0.00 176.54 174.95 2kku s PHE 54 N -5.62 3.39 -0.43 5.60 0.08 -0.87 -0.91 117.98 119.22 2kku s PHE 54 Ca -0.09 -1.75 0.24 0.00 0.12 0.00 0.00 56.93 55.44 2kku s PHE 54 Cb 0.19 -3.18 0.41 0.00 -0.57 0.00 0.00 43.02 39.88 2kku s PHE 54 CO 0.77 -0.92 1.64 -0.24 -0.10 0.00 0.00 175.22 176.37 2kku h VAL 55 N 6.13 0.00 -1.27 -0.44 3.04 -1.13 -3.41 116.25 119.16 2kku h VAL 55 Ca -0.21 -0.95 0.05 0.00 -1.01 0.00 0.00 66.70 64.58 2kku h VAL 55 Cb 1.08 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 32.29 2kku h VAL 55 CO 0.79 0.00 0.14 0.61 -1.01 0.00 0.00 177.57 178.10 2kku n GLY 56 N 1.06 0.54 3.64 3.17 0.00 -1.05 -1.66 105.19 110.89 2kku n GLY 56 Ca 0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.00 2.09 0.04 1.61 -1.05 -0.44 -0.73 118.70 118.21 2kku s GLU 57 Ca 0.04 -1.62 -0.03 0.00 -0.15 0.00 0.00 54.97 53.22 2kku s GLU 57 Cb -0.00 0.53 0.01 0.00 -0.44 0.00 0.00 34.13 34.23 2kku s GLU 57 CO -0.00 -0.93 0.13 0.00 0.95 0.00 0.00 175.26 175.41 2kku n ALA 58 N -0.56 -0.32 -3.87 -0.84 0.00 0.17 0.30 120.51 115.40 2kku n ALA 58 Ca -0.04 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 2kku n ALA 58 Cb 0.61 0.10 -0.16 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.01 2.54 0.26 0.00 1.81 -0.17 -1.44 118.95 119.94 2kku s ARG 59 Ca 0.03 -0.66 -0.30 0.00 -1.72 0.00 0.00 55.73 53.08 2kku s ARG 59 Cb -0.00 -2.19 -0.09 0.00 -0.45 0.00 0.00 34.95 32.21 2kku s ARG 59 CO 0.01 -0.14 1.29 0.42 -0.68 0.00 0.00 175.30 176.20 2kku s ILE 60 N 1.19 3.04 0.00 1.52 1.01 0.40 -1.60 121.20 126.76 2kku s ILE 60 Ca -0.00 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2kku s ILE 60 Cb -0.14 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2kku s ILE 60 CO -0.07 0.18 0.00 0.29 0.00 0.00 0.00 174.94 175.34 2kku n LYS 61 N 1.82 0.42 -1.39 2.79 4.76 0.14 -0.59 118.16 126.12 2kku n LYS 61 Ca 0.03 0.00 -0.62 0.00 -2.87 0.00 0.00 58.31 54.85 2kku n LYS 61 Cb 0.42 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.50 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 -3.00 1.97 1.85 -1.26 -2.82 116.66 113.40 2kku n ARG 62 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2kku n ARG 62 Cb 0.00 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 2kku n ARG 62 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kku s VAL 63 N 5.10 4.65 -0.45 8.89 -7.23 -1.25 -2.76 120.40 127.35 2kku s VAL 63 Ca 1.15 0.03 -0.22 0.00 -1.81 0.00 0.00 61.98 61.13 2kku s VAL 63 Cb -1.49 -4.38 0.03 0.00 0.56 0.00 0.00 36.38 31.10 2kku s VAL 63 CO 0.70 -0.88 0.72 -0.69 -0.31 0.00 0.00 175.10 174.65 2kku s VAL 64 N 3.25 4.72 -0.33 1.32 1.01 -0.48 -4.83 120.40 125.07 2kku s VAL 64 Ca 0.24 0.23 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 2kku s VAL 64 Cb -0.15 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 2kku s VAL 64 CO 0.17 -0.69 0.60 -0.76 0.00 0.00 0.00 175.10 174.42 2kku s LEU 65 N 3.09 4.22 -0.17 3.92 1.43 -1.26 -0.96 118.68 128.94 2kku s LEU 65 Ca 0.26 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.50 2kku s LEU 65 Cb -0.13 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.40 2kku s LEU 65 CO 0.20 -0.51 0.41 -0.55 0.23 0.00 0.00 176.35 176.13 2kku s SER 66 N 1.72 -0.51 0.63 2.29 0.15 -0.26 -5.01 113.70 112.70 2kku s SER 66 Ca 0.23 0.90 0.40 0.00 0.70 0.00 0.00 55.95 58.18 2kku s SER 66 Cb -0.15 0.80 2.12 0.00 -1.71 0.00 0.00 66.02 67.08 2kku s SER 66 CO 0.13 -0.20 2.28 -0.33 1.20 0.00 0.00 173.24 176.33 2kku h GLU 67 N 7.16 0.00 -4.86 5.44 5.08 -1.78 -1.56 114.58 124.06 2kku h GLU 67 Ca -0.36 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.35 2kku h GLU 67 Cb 1.18 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.25 2kku h GLU 67 CO 0.29 0.01 -0.52 -0.80 -1.00 0.00 0.00 179.01 176.99 2kku s ASN 68 N -5.47 5.95 0.00 1.42 0.01 -1.26 -4.45 114.94 111.14 2kku s ASN 68 Ca -0.04 -0.12 0.13 0.00 -0.71 0.00 0.00 52.86 52.12 2kku s ASN 68 Cb 0.13 -2.11 0.61 0.00 0.41 0.00 0.00 41.25 40.29 2kku s ASN 68 CO 0.46 -0.09 1.41 -0.81 -1.51 0.00 0.00 177.10 176.56 2kku n PRO 69 N 5.06 0.06 0.15 -0.60 -0.04 -1.26 -2.88 135.00 135.48 2kku n PRO 69 Ca -0.14 0.24 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2kku n PRO 69 Cb 0.51 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.51 2kku n PRO 69 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2kku h MET 70 N 0.00 0.00 0.00 0.54 2.86 -1.94 -3.13 114.93 113.26 2kku h MET 70 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 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 0.47 -0.01 1.96 1.06 0.00 0.00 176.91 180.39 2kku h GLN 71 N 0.00 0.00 0.00 1.72 7.50 -1.93 -1.89 115.11 120.51 2kku h GLN 71 Ca -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 2kku h GLN 71 Cb 1.36 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.89 2kku h GLN 71 CO 0.06 0.01 -0.04 0.74 -1.50 0.00 0.00 178.83 178.10 2kku h PHE 72 N 0.00 0.00 0.15 2.96 0.04 -1.76 -1.68 116.94 116.66 2kku h PHE 72 Ca -0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 2kku h PHE 72 Cb 0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 2kku h PHE 72 CO 0.00 0.04 -1.72 0.74 -0.60 0.00 0.00 178.31 176.77 2kku h PHE 73 N 0.00 0.59 0.00 -0.55 0.04 -1.51 -0.43 116.94 115.08 2kku h PHE 73 Ca -0.00 -0.43 -0.05 0.00 2.80 0.00 0.00 57.97 60.29 2kku h PHE 73 Cb 0.87 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 2kku h PHE 73 CO 0.00 1.58 -0.22 1.05 -0.60 0.00 0.00 178.31 180.12 2kku h GLU 74 N 0.09 0.00 0.08 1.51 4.11 -1.48 -2.28 114.58 116.61 2kku h GLU 74 Ca -0.32 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.82 2kku h GLU 74 Cb 2.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.30 2kku h GLU 74 CO 0.16 0.22 -1.55 1.15 0.07 0.00 0.00 179.01 179.05 2kku h THR 75 N 0.00 0.87 0.00 -1.06 2.02 -1.40 -3.46 112.91 109.87 2kku h THR 75 Ca -0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 2kku h THR 75 Cb 0.79 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 2kku h THR 75 CO 0.03 0.66 -0.03 0.49 0.37 0.00 0.00 175.52 177.04 2kku n PHE 76 N -3.93 0.00 0.00 3.16 3.72 -0.22 -5.04 117.46 115.15 2kku n PHE 76 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2kku n PHE 76 Cb 0.88 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 2kku n PHE 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kku n GLY 77 N 3.31 1.69 0.25 1.37 0.00 -0.86 -3.81 105.19 107.14 2kku n GLY 77 Ca -0.00 0.28 0.09 0.00 0.00 0.00 0.00 46.02 46.39 2kku n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kku h ASP 78 N 0.00 0.00 0.72 1.61 5.19 -1.92 -2.83 116.42 119.19 2kku h ASP 78 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 2kku h ASP 78 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2kku h ASP 78 CO 0.00 0.11 -1.24 0.03 -3.12 0.00 0.00 179.24 175.02 2kku h ARG 79 N 0.00 0.16 -7.00 3.56 2.47 -1.89 -3.47 114.38 108.20 2kku h ARG 79 Ca -0.00 -0.27 -0.52 0.00 -1.26 0.00 0.00 59.98 57.92 2kku h ARG 79 Cb 0.23 0.10 0.09 0.00 -1.65 0.00 0.00 29.97 28.74 2kku h ARG 79 CO 0.01 1.08 0.54 0.08 0.56 0.00 0.00 179.97 182.25 2kku s VAL 80 N -2.66 2.74 0.05 2.04 1.01 -1.07 -0.33 120.40 122.17 2kku s VAL 80 Ca -0.03 0.58 0.31 0.00 0.00 0.00 0.00 61.98 62.84 2kku s VAL 80 Cb 0.08 -3.31 0.32 0.00 0.00 0.00 0.00 36.38 33.48 2kku s VAL 80 CO 0.85 0.02 1.94 2.19 0.00 0.00 0.00 175.10 180.10 2kku h PHE 81 N 2.06 0.00 -4.17 5.22 -5.15 -1.66 -3.43 116.94 109.81 2kku h PHE 81 Ca -0.50 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.15 2kku h PHE 81 Cb 1.26 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 37.27 2kku h PHE 81 CO 0.51 0.00 -0.67 -0.48 -2.00 0.00 0.00 178.31 175.67 2kku s LEU 82 N -5.29 2.40 0.69 2.10 2.34 -1.26 -4.85 118.68 114.80 2kku s LEU 82 Ca -0.01 -0.89 0.04 0.00 0.06 0.00 0.00 54.13 53.32 2kku s LEU 82 Cb 0.09 0.22 0.13 0.00 -0.56 0.00 0.00 46.19 46.07 2kku s LEU 82 CO 0.37 -0.55 0.94 0.28 -1.06 0.00 0.00 176.35 176.33 2kku s THR 83 N -3.47 2.03 0.40 5.48 -1.32 -1.26 -4.93 115.64 112.57 2kku s THR 83 Ca 0.03 -0.76 0.21 0.00 -1.21 0.00 0.00 61.69 59.95 2kku s THR 83 Cb 0.05 -2.27 0.22 0.00 -1.51 0.00 0.00 72.50 68.99 2kku s THR 83 CO -0.08 0.00 1.98 0.50 -2.21 0.00 0.00 174.62 174.81 2kku h LYS 84 N -0.32 0.00 -0.02 7.08 3.64 -1.98 -0.44 116.57 124.53 2kku h LYS 84 Ca -0.32 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2kku h LYS 84 Cb 1.27 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2kku h LYS 84 CO 0.38 0.20 0.00 -0.44 -2.27 0.00 0.00 179.45 177.32 2kku h ASP 85 N 0.00 0.04 -0.01 4.20 5.19 -2.00 -1.59 116.42 122.25 2kku h ASP 85 Ca -0.00 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.08 2kku h ASP 85 Cb 0.43 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2kku h ASP 85 CO 0.03 0.32 -0.06 -0.33 -3.12 0.00 0.00 179.24 176.08 2kku h GLU 86 N -0.25 0.18 0.13 3.56 3.07 -1.81 -2.82 114.58 116.64 2kku h GLU 86 Ca 0.01 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2kku h GLU 86 Cb 0.30 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2kku h GLU 86 CO 0.00 0.25 -0.06 1.25 -1.40 0.00 0.00 179.01 179.05 2kku h LEU 87 N 0.17 -0.15 -0.93 1.33 5.85 -0.97 -1.74 115.31 118.87 2kku h LEU 87 Ca 0.04 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 2kku h LEU 87 Cb 0.22 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2kku h LEU 87 CO 0.01 0.24 0.26 0.07 -0.34 0.00 0.00 178.44 178.68 2kku h LYS 88 N -0.57 1.03 0.00 1.25 5.09 -1.18 -0.89 116.57 121.31 2kku h LYS 88 Ca -0.02 -0.19 -0.07 0.00 0.09 0.00 0.00 60.65 60.46 2kku h LYS 88 Cb 0.44 -0.17 -0.01 0.00 0.10 0.00 0.00 32.23 32.59 2kku h LYS 88 CO 0.03 0.86 -0.35 1.05 -2.09 0.00 0.00 179.45 178.95 2kku h GLU 89 N 1.01 0.00 -0.56 0.07 4.11 -1.60 -1.31 114.58 116.31 2kku h GLU 89 Ca 0.23 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.57 2kku h GLU 89 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2kku h GLU 89 CO -0.02 0.35 -0.02 -0.92 0.07 0.00 0.00 179.01 178.47 2kku h TYR 90 N 0.00 1.06 0.01 2.06 3.20 -0.58 0.21 116.97 122.93 2kku h TYR 90 Ca -0.00 -0.18 -0.19 0.00 3.14 0.00 0.00 58.73 61.49 2kku h TYR 90 Cb 1.21 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2kku h TYR 90 CO 0.00 0.96 -0.91 0.52 -1.64 0.00 0.00 178.16 177.09 2kku h MET 91 N 0.90 0.05 0.00 1.82 2.86 -1.03 -2.90 114.93 116.63 2kku h MET 91 Ca 0.16 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 2kku h MET 91 Cb 0.55 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2kku h MET 91 CO 0.03 0.92 -0.49 0.87 1.06 0.00 0.00 176.91 179.30 2kku h LYS 92 N 0.02 0.00 -0.11 1.72 1.79 -1.18 -3.09 116.57 115.72 2kku h LYS 92 Ca -0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2kku h LYS 92 Cb 1.58 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.22 2kku h LYS 92 CO 0.12 0.49 -0.08 1.03 -1.08 0.00 0.00 179.45 179.94 2kku h SER 93 N 0.00 0.16 1.25 0.86 0.87 -0.74 -1.99 113.55 113.96 2kku h SER 93 Ca -0.00 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2kku h SER 93 Cb 0.94 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2kku h SER 93 CO 0.06 0.26 -0.15 1.56 -0.53 0.00 0.00 176.83 178.04 2kku h GLN 94 N 0.17 0.00 0.00 2.24 1.08 -1.48 -2.45 115.11 114.67 2kku h GLN 94 Ca 0.04 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.92 2kku h GLN 94 Cb 0.25 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.62 2kku h GLN 94 CO 0.01 0.15 -2.22 -0.85 -0.95 0.00 0.00 178.83 174.97 2kku n GLU 95 N -3.22 0.81 0.08 1.46 0.28 -1.05 -3.19 120.64 115.80 2kku n GLU 95 Ca 0.01 0.07 -0.15 0.00 -0.16 0.00 0.00 57.16 56.93 2kku n GLU 95 Cb 0.45 -1.44 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 2kku n GLU 95 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 2kku h ARG 96 N 0.00 0.23 0.02 3.44 0.11 -1.45 -3.38 114.38 113.35 2kku h ARG 96 Ca -0.48 -0.39 -0.39 0.00 0.10 0.00 0.00 59.98 58.82 2kku h ARG 96 Cb 1.88 0.15 -0.06 0.00 1.11 0.00 0.00 29.97 33.04 2kku h ARG 96 CO -0.04 1.12 -2.34 0.91 0.10 0.00 0.00 179.97 179.72 2kku n TRP 97 N -3.46 0.29 -0.26 4.08 7.02 -0.93 -4.98 117.44 119.20 2kku n TRP 97 Ca -0.12 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 2kku n TRP 97 Cb 1.03 -1.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 2kku n TRP 97 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kku n GLY 98 N 2.01 -0.27 3.38 6.99 0.00 -1.18 -5.06 105.19 111.07 2kku n GLY 98 Ca -0.44 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 2kku n GLY 98 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kku s ARG 99 N 0.42 1.04 0.09 1.61 3.52 -1.19 -4.60 118.95 119.84 2kku s ARG 99 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 2kku s ARG 99 Cb 0.00 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 2kku s ARG 99 CO 0.00 -0.38 0.00 -2.13 -0.81 0.00 0.00 175.30 171.98 2kku n ARG 100 N 0.33 -2.62 -3.97 5.12 0.63 -1.26 -4.96 116.66 109.93 2kku n ARG 100 Ca -0.18 2.13 -0.10 0.00 -0.92 0.00 0.00 57.85 58.78 2kku n ARG 100 Cb 0.61 -2.09 -0.03 0.00 0.45 0.00 0.00 32.46 31.39 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 -1.81 1.78 -0.00 -0.14 3.52 -1.26 -4.95 118.95 116.10 2kku s ARG 101 Ca 0.00 -1.36 -0.00 0.00 -0.13 0.00 0.00 55.73 54.23 2kku s ARG 101 Cb 0.00 0.51 0.00 0.00 -1.56 0.00 0.00 34.95 33.90 2kku s ARG 101 CO 0.00 -0.77 0.00 0.39 -0.81 0.00 0.00 175.30 174.11 2kku n GLU 102 N -0.46 -0.73 -3.81 5.12 1.02 -1.26 -5.12 120.64 115.39 2kku n GLU 102 Ca -0.03 0.96 -0.12 0.00 -0.02 0.00 0.00 57.16 57.95 2kku n GLU 102 Cb 0.61 -1.16 -0.12 0.00 -0.02 0.00 0.00 31.44 30.75 2kku n GLU 102 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kku s SER 103 N -0.09 -0.17 0.36 1.62 0.01 -1.26 -5.15 113.70 109.03 2kku s SER 103 Ca -0.01 0.29 -0.28 0.00 1.31 0.00 0.00 55.95 57.26 2kku s SER 103 Cb 0.00 0.37 -0.10 0.00 0.21 0.00 0.00 66.02 66.50 2kku s SER 103 CO 0.01 -0.13 1.37 -0.54 0.41 0.00 0.00 173.24 174.36 2kku s LYS 104 N -0.20 4.19 0.22 12.44 -0.14 -1.26 -4.66 119.74 130.33 2kku s LYS 104 Ca -0.03 2.33 0.00 0.00 -1.36 0.00 0.00 55.97 56.91 2kku s LYS 104 Cb -0.03 -2.97 0.00 0.00 -1.68 0.00 0.00 37.83 33.15 2kku s LYS 104 CO 0.01 -0.37 0.00 1.17 -0.76 0.00 0.00 175.35 175.40 2kku n LYS 105 N 0.54 -1.59 -3.47 1.68 3.00 -1.26 -5.06 118.16 112.01 2kku n LYS 105 Ca 0.01 1.23 -0.19 0.00 -0.00 0.00 0.00 58.31 59.36 2kku n LYS 105 Cb 0.41 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.93 2kku n LYS 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2kku s LYS 106 N -4.64 2.96 0.13 1.64 0.00 -1.26 -5.10 119.74 113.47 2kku s LYS 106 Ca 0.00 -1.13 -0.23 0.00 0.00 0.00 0.00 55.97 54.61 2kku s LYS 106 Cb 0.00 -2.72 -0.07 0.00 0.00 0.00 0.00 37.83 35.04 2kku s LYS 106 CO 0.00 0.00 0.69 0.21 0.00 0.00 0.00 175.35 176.25 2kku s LYS 107 N -4.17 4.41 -0.46 1.78 2.36 -1.26 -5.02 119.74 117.39 2kku s LYS 107 Ca 0.46 0.98 -0.28 0.00 -2.55 0.00 0.00 55.97 54.58 2kku s LYS 107 Cb -0.09 -3.24 0.01 0.00 -1.05 0.00 0.00 37.83 33.46 2kku s LYS 107 CO 0.30 0.60 1.49 -1.17 1.55 0.00 0.00 175.35 178.12 2kku s LEU 108 N -1.15 3.50 0.48 5.43 1.98 -1.26 -4.31 118.68 123.34 2kku s LEU 108 Ca 0.33 0.68 -0.04 0.00 -2.89 0.00 0.00 54.13 52.21 2kku s LEU 108 Cb -0.22 -3.32 -0.02 0.00 0.66 0.00 0.00 46.19 43.29 2kku s LEU 108 CO 0.23 -1.61 0.76 0.26 -1.89 0.00 0.00 176.35 174.10 2kku s TRP 109 N 6.03 3.43 -0.09 5.38 0.52 -0.59 -2.59 118.94 131.03 2kku s TRP 109 Ca 0.61 0.61 -0.05 0.00 0.02 0.00 0.00 56.10 57.29 2kku s TRP 109 Cb -0.14 -2.35 0.04 0.00 -1.15 0.00 0.00 33.47 29.88 2kku s TRP 109 CO 0.30 -0.36 0.21 0.00 0.02 0.00 0.00 176.95 177.12 2kku s MET 110 N -4.71 0.18 -0.45 4.98 0.23 0.44 -1.11 119.30 118.86 2kku s MET 110 Ca 0.48 0.46 -0.09 0.00 -1.03 0.00 0.00 55.69 55.50 2kku s MET 110 Cb -0.10 -0.12 0.10 0.00 -1.53 0.00 0.00 34.83 33.19 2kku s MET 110 CO 0.43 -0.15 0.32 0.00 -2.03 0.00 0.00 175.02 173.58 2kku s ALA 111 N 1.12 3.36 -0.32 3.16 0.00 -0.13 -0.95 121.76 128.00 2kku s ALA 111 Ca -0.08 -2.38 -0.29 0.00 0.00 0.00 0.00 51.96 49.20 2kku s ALA 111 Cb -0.10 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 20.27 2kku s ALA 111 CO -0.07 -1.81 1.17 0.42 0.00 0.00 0.00 175.76 175.47 2kku s ILE 112 N 1.39 4.35 0.08 0.00 1.01 -0.12 -1.39 121.20 126.52 2kku s ILE 112 Ca 0.05 1.53 -0.29 0.00 0.00 0.00 0.00 60.65 61.94 2kku s ILE 112 Cb -0.25 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 2kku s ILE 112 CO 0.00 -0.52 0.93 -0.70 0.00 0.00 0.00 174.94 174.65 2kku s GLU 113 N 3.90 4.64 -0.14 2.79 -6.30 -1.11 -0.98 118.70 121.49 2kku s GLU 113 Ca 0.50 1.37 0.01 0.00 -2.50 0.00 0.00 54.97 54.35 2kku s GLU 113 Cb -0.14 -3.39 0.02 0.00 0.00 0.00 0.00 34.13 30.62 2kku s GLU 113 CO 0.19 0.18 -0.17 -0.51 0.02 0.00 0.00 175.26 174.97 2kku s LEU 114 N 0.17 1.86 0.30 2.70 2.01 0.55 0.25 118.68 126.52 2kku s LEU 114 Ca 0.46 -0.53 0.07 0.00 0.01 0.00 0.00 54.13 54.14 2kku s LEU 114 Cb -0.22 -1.27 -0.06 0.00 0.01 0.00 0.00 46.19 44.65 2kku s LEU 114 CO 0.28 -0.00 -0.06 -1.83 1.01 0.00 0.00 176.35 175.75 2kku s GLU 115 N 1.20 1.63 -1.29 1.70 -1.05 -0.63 -0.92 118.70 119.33 2kku s GLU 115 Ca -0.00 -1.83 -0.07 0.00 -0.15 0.00 0.00 54.97 52.92 2kku s GLU 115 Cb -0.14 -1.27 -0.00 0.00 -0.44 0.00 0.00 34.13 32.27 2kku s GLU 115 CO -0.07 0.05 0.61 -3.47 0.95 0.00 0.00 175.26 173.32 2kku n ASP 116 N -0.65 -2.14 -4.56 0.83 2.03 -1.26 -1.00 116.55 109.81 2kku n ASP 116 Ca -0.05 -0.96 -0.40 0.00 0.52 0.00 0.00 54.79 53.89 2kku n ASP 116 Cb 0.64 -3.41 -0.03 0.00 -0.72 0.00 0.00 41.12 37.59 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 -3.73 3.58 0.33 5.18 1.01 -0.96 -4.29 120.40 121.52 2kku s VAL 117 Ca 0.16 0.39 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 2kku s VAL 117 Cb -0.05 -4.38 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 2kku s VAL 117 CO 0.86 -1.28 0.88 -0.75 0.00 0.00 0.00 175.10 174.81 2kku s LYS 118 N 6.21 4.38 -0.15 2.72 2.47 0.15 -4.89 119.74 130.62 2kku s LYS 118 Ca 0.53 1.12 -0.08 0.00 -1.56 0.00 0.00 55.97 55.99 2kku s LYS 118 Cb -0.11 -2.63 -0.04 0.00 -1.46 0.00 0.00 37.83 33.58 2kku s LYS 118 CO 0.20 0.22 0.11 0.15 0.16 0.00 0.00 175.35 176.19 2kku s LYS 119 N -2.39 3.75 -1.01 4.03 -0.14 -1.26 -1.33 119.74 121.38 2kku s LYS 119 Ca 0.52 -0.22 -0.19 0.00 -1.36 0.00 0.00 55.97 54.71 2kku s LYS 119 Cb -0.15 -3.23 0.11 0.00 -1.68 0.00 0.00 37.83 32.88 2kku s LYS 119 CO 0.20 0.52 1.29 0.71 -0.76 0.00 0.00 175.35 177.31 2kku s TYR 120 N -0.30 2.99 0.23 3.18 1.51 -0.66 -4.79 117.35 119.51 2kku s TYR 120 Ca 0.10 -1.36 0.20 0.00 -1.01 0.00 0.00 57.07 55.01 2kku s TYR 120 Cb -0.12 -4.43 0.85 0.00 -0.11 0.00 0.00 41.96 38.16 2kku s TYR 120 CO 0.01 -1.62 1.82 0.22 -1.11 0.00 0.00 175.55 174.87 2kku h ASP 121 N 8.80 0.00 -3.57 2.29 3.58 -1.93 -3.43 116.42 122.15 2kku h ASP 121 Ca 0.21 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 57.14 2kku h ASP 121 Cb 0.99 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2kku h ASP 121 CO 1.23 0.31 0.31 -1.59 -2.88 0.00 0.00 179.24 176.62 2kku s LYS 122 N -3.79 4.68 -0.93 0.28 -2.85 -1.26 -5.01 119.74 110.86 2kku s LYS 122 Ca -0.01 1.36 -0.24 0.00 -1.00 0.00 0.00 55.97 56.08 2kku s LYS 122 Cb 0.12 -3.35 0.02 0.00 -2.06 0.00 0.00 37.83 32.56 2kku s LYS 122 CO 0.67 0.31 1.56 -1.25 0.10 0.00 0.00 175.35 176.74 2kku s PRO 123 N -0.31 3.24 -0.21 1.78 0.04 -1.26 -4.98 135.00 133.30 2kku s PRO 123 Ca 0.43 -0.71 -0.07 0.00 0.04 0.00 0.00 61.00 60.69 2kku s PRO 123 Cb -0.23 -5.07 -0.03 0.00 0.04 0.00 0.00 34.50 29.20 2kku s PRO 123 CO 0.29 -2.50 0.06 0.42 0.04 0.00 0.00 177.00 175.30 2kku s ILE 124 N 6.49 4.48 0.11 0.56 1.01 -1.26 -5.02 121.20 127.57 2kku s ILE 124 Ca 0.51 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 2kku s ILE 124 Cb -0.03 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2kku s ILE 124 CO -0.03 0.40 0.36 -0.54 0.00 0.00 0.00 174.94 175.14 2kku s LYS 125 N 0.98 3.64 1.02 2.79 3.01 -1.26 -2.04 119.74 127.88 2kku s LYS 125 Ca 0.04 -0.05 -0.17 0.00 -1.01 0.00 0.00 55.97 54.78 2kku s LYS 125 Cb -0.14 -2.91 0.22 0.00 -1.01 0.00 0.00 37.83 33.99 2kku s LYS 125 CO 0.03 0.51 1.29 -1.25 0.51 0.00 0.00 175.35 176.44 2kku s PRO 126 N -2.39 0.18 -0.03 -1.68 0.04 -1.26 -4.89 135.00 124.96 2kku s PRO 126 Ca 0.38 -0.37 -0.09 0.00 0.04 0.00 0.00 61.00 60.96 2kku s PRO 126 Cb -0.13 -1.79 -0.30 0.00 0.04 0.00 0.00 34.50 32.32 2kku s PRO 126 CO 0.22 -2.73 0.75 0.87 0.04 0.00 0.00 177.00 176.15 2kku h LYS 127 N -1.87 0.36 -4.30 4.56 6.56 -2.01 -3.49 116.57 116.38 2kku h LYS 127 Ca -0.44 -0.62 -0.17 0.00 -1.06 0.00 0.00 60.65 58.36 2kku h LYS 127 Cb 1.24 0.23 -0.14 0.00 -0.57 0.00 0.00 32.23 32.99 2kku h LYS 127 CO 0.36 1.27 -0.55 -0.98 -2.06 0.00 0.00 179.45 177.48 2kku s ARG 128 N -2.59 1.05 0.23 3.15 1.70 -1.26 -5.14 118.95 116.09 2kku s ARG 128 Ca -0.13 -1.40 -0.30 0.00 -0.47 0.00 0.00 55.73 53.43 2kku s ARG 128 Cb 0.06 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.63 2kku s ARG 128 CO 0.86 -0.33 1.39 -0.48 -1.08 0.00 0.00 175.30 175.66 2kku s LEU 129 N -3.05 4.40 -0.34 -1.89 2.34 -1.26 -5.03 118.68 113.86 2kku s LEU 129 Ca 0.25 2.58 0.02 0.00 0.06 0.00 0.00 54.13 57.04 2kku s LEU 129 Cb 0.06 -3.62 0.09 0.00 -0.56 0.00 0.00 46.19 42.16 2kku s LEU 129 CO 0.03 -0.64 0.05 -0.69 -1.06 0.00 0.00 176.35 174.05 2kku s VAL 130 N 0.01 2.51 1.30 1.48 1.01 -1.26 -4.91 120.40 120.54 2kku s VAL 130 Ca 0.58 -2.12 -0.21 0.00 0.00 0.00 0.00 61.98 60.23 2kku s VAL 130 Cb -0.40 -2.74 0.32 0.00 0.00 0.00 0.00 36.38 33.56 2kku s VAL 130 CO 0.42 -0.50 1.05 -2.84 0.00 0.00 0.00 175.10 173.23 2kku s PRO 131 N 1.00 -1.98 0.47 2.72 0.02 -1.26 -4.76 135.00 131.21 2kku s PRO 131 Ca 0.06 -0.06 0.12 0.00 0.02 0.00 0.00 61.00 61.15 2kku s PRO 131 Cb -0.20 -1.51 1.08 0.00 0.02 0.00 0.00 34.50 33.90 2kku s PRO 131 CO -0.06 -4.21 2.10 0.28 -0.33 0.00 0.00 177.00 174.78 2kku h VAL 132 N -2.94 1.05 0.00 3.83 2.07 -1.99 -1.01 116.25 117.25 2kku h VAL 132 Ca -0.43 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2kku h VAL 132 Cb 1.31 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2kku h VAL 132 CO 0.30 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.55 2kku n GLY 133 N -1.48 -1.27 0.00 2.17 0.00 -1.26 -4.71 105.19 98.64 2kku n GLY 133 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kku n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kku n GLY 134 N 0.35 -2.50 3.43 -0.02 0.00 -0.38 -4.92 105.19 101.14 2kku n GLY 134 Ca 0.04 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 2kku n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kku s GLN 135 N -3.22 1.80 -0.39 1.61 -1.52 -0.64 -4.78 119.66 112.52 2kku s GLN 135 Ca 0.00 -1.14 -0.29 0.00 -1.95 0.00 0.00 55.36 51.98 2kku s GLN 135 Cb 0.00 -2.06 0.02 0.00 -0.22 0.00 0.00 33.01 30.74 2kku s GLN 135 CO 0.00 0.50 1.23 0.71 -0.25 0.00 0.00 175.29 177.48 2kku s TYR 136 N -0.98 2.76 -0.02 0.91 2.02 -1.26 -0.93 117.35 119.84 2kku s TYR 136 Ca 0.15 0.84 -0.30 0.00 -0.37 0.00 0.00 57.07 57.39 2kku s TYR 136 Cb -0.10 -4.13 -0.03 0.00 -0.40 0.00 0.00 41.96 37.30 2kku s TYR 136 CO 0.06 -1.44 1.00 -1.17 -1.57 0.00 0.00 175.55 172.43 2kku s LEU 137 N 4.48 4.34 -0.01 -1.29 0.20 -0.29 -4.93 118.68 121.18 2kku s LEU 137 Ca 0.52 1.65 0.01 0.00 0.69 0.00 0.00 54.13 57.00 2kku s LEU 137 Cb -0.12 -3.57 0.01 0.00 -0.43 0.00 0.00 46.19 42.09 2kku s LEU 137 CO 0.26 -0.32 -0.01 0.00 -0.29 0.00 0.00 176.35 176.00 2kku s ARG 138 N 1.25 0.23 0.00 1.98 3.03 -1.26 -1.76 118.95 122.42 2kku s ARG 138 Ca 0.52 -0.00 0.30 0.00 2.03 0.00 0.00 55.73 58.58 2kku s ARG 138 Cb -0.21 -0.33 1.81 0.00 -1.03 0.00 0.00 34.95 35.20 2kku s ARG 138 CO 0.26 -0.04 2.14 -1.91 -1.13 0.00 0.00 175.30 174.62