#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 0.10 6.12 0.87 -1.98 -1.34 113.55 117.32 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 0.00 2.24 2.10 -1.97 -3.49 116.57 115.44 2kku h LYS 3 Ca 0.00 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.78 2kku h LYS 3 Cb 0.53 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.83 2kku h LYS 3 CO 0.00 0.01 -0.18 -0.89 -2.00 0.00 0.00 179.45 176.39 2kku n ILE 4 N -3.29 0.00 0.00 0.07 2.08 -0.50 -4.97 119.36 112.74 2kku n ILE 4 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2kku n ILE 4 Cb 0.10 -0.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 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 -2.29 0.00 -2.37 1.39 0.24 -0.76 -3.11 118.33 111.43 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 0.22 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 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 -0.71 1.99 3.35 7.63 0.00 -0.68 -2.11 105.19 114.65 2kku n GLY 6 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.41 1.72 -0.01 1.61 0.11 -0.76 -1.00 120.40 119.66 2kku s VAL 7 Ca 0.00 -2.21 0.02 0.00 -2.93 0.00 0.00 61.98 56.86 2kku s VAL 7 Cb 0.00 -2.05 -0.00 0.00 -1.53 0.00 0.00 36.38 32.79 2kku s VAL 7 CO 0.00 -0.59 -0.06 0.28 -3.33 0.00 0.00 175.10 171.40 2kku s THR 8 N -2.98 0.47 0.01 5.04 -1.32 -0.16 -2.06 115.64 114.63 2kku s THR 8 Ca 0.23 -0.25 0.01 0.00 -1.21 0.00 0.00 61.69 60.47 2kku s THR 8 Cb -0.00 -0.40 -0.01 0.00 -1.51 0.00 0.00 72.50 70.58 2kku s THR 8 CO 0.07 0.14 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.25 2kku s TYR 9 N -0.10 0.44 0.23 9.09 1.51 -1.06 -1.62 117.35 125.85 2kku s TYR 9 Ca 0.02 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.90 2kku s TYR 9 Cb -0.03 -0.28 0.26 0.00 -0.11 0.00 0.00 41.96 41.80 2kku s TYR 9 CO -0.00 -0.03 1.62 -1.00 -1.11 0.00 0.00 175.55 175.03 2kku h PRO 10 N 5.71 0.54 -4.85 -1.71 0.13 -1.78 -0.79 132.00 129.24 2kku h PRO 10 Ca -0.29 -0.26 0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2kku h PRO 10 Cb 1.20 -0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2kku h PRO 10 CO 0.48 0.83 -1.48 -0.89 -0.23 0.00 0.00 178.00 176.71 2kku n ILE 11 N -4.05-12.53 -1.02 -3.56 5.41 -1.26 -4.69 119.36 97.65 2kku n ILE 11 Ca -0.01 2.71 -0.29 0.00 1.00 0.00 0.00 62.75 66.16 2kku n ILE 11 Cb 0.49 -6.38 0.24 0.00 -0.71 0.00 0.00 39.64 33.29 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 1.64 -3.07 -0.57 0.38 -0.04 -1.26 -4.58 135.00 127.49 2kku n PRO 12 Ca -0.37 -1.67 0.08 0.00 -0.04 0.00 0.00 63.50 61.49 2kku n PRO 12 Cb 0.58 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2kku n PRO 12 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2kku n LYS 13 N -4.71 -1.15 0.12 0.54 3.00 -1.26 -4.24 118.16 110.47 2kku n LYS 13 Ca 0.15 0.76 0.13 0.00 -0.00 0.00 0.00 58.31 59.34 2kku n LYS 13 Cb 0.56 -1.40 0.43 0.00 0.00 0.00 0.00 35.03 34.62 2kku n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kku h ARG 14 N 0.00 0.00 0.00 1.64 3.08 -1.99 -3.37 114.38 113.74 2kku h ARG 14 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2kku h ARG 14 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2kku h ARG 14 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 2kku n PHE 15 N -2.31 0.00 -0.10 3.04 3.72 -1.26 -2.42 117.46 118.13 2kku n PHE 15 Ca 0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.33 2kku n PHE 15 Cb 0.37 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 2kku n PHE 15 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2kku h MET 16 N 0.00 0.56 0.00 -1.08 1.85 -1.78 -3.25 114.93 111.24 2kku h MET 16 Ca 0.00 -0.22 0.00 0.00 -0.61 0.00 0.00 59.70 58.87 2kku h MET 16 Cb 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.00 2kku h MET 16 CO 0.00 0.78 0.00 -0.44 -0.40 0.00 0.00 176.91 176.85 2kku h ASP 17 N 0.32 0.00 -0.35 1.39 5.19 -1.83 -3.21 116.42 117.92 2kku h ASP 17 Ca 0.07 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.55 2kku h ASP 17 Cb 0.58 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.01 2kku h ASP 17 CO 0.03 0.00 -0.14 0.03 -3.12 0.00 0.00 179.24 176.04 2kku h ARG 18 N 0.00 -0.07 0.00 3.56 2.47 -1.75 -1.65 114.38 116.93 2kku h ARG 18 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2kku h ARG 18 Cb 0.36 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2kku h ARG 18 CO 0.00 -0.05 -0.11 0.74 0.56 0.00 0.00 179.97 181.12 2kku h PHE 19 N -0.07 0.00 0.00 3.04 -1.00 -1.77 -2.18 116.94 114.96 2kku h PHE 19 Ca 0.18 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.67 2kku h PHE 19 Cb 0.34 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.85 2kku h PHE 19 CO -0.37 0.11 -1.85 1.19 -1.61 0.00 0.00 178.31 175.77 2kku n PHE 20 N -4.27 0.71 -0.09 -0.55 3.72 -1.08 -1.95 117.46 113.93 2kku n PHE 20 Ca -0.03 0.25 -0.10 0.00 -0.05 0.00 0.00 57.45 57.53 2kku n PHE 20 Cb 0.18 -1.10 -0.03 0.00 -0.94 0.00 0.00 39.48 37.59 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 0.44 0.00 -1.08 3.11 -0.67 -3.31 116.57 115.05 2kku h LYS 21 Ca -0.33 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.43 2kku h LYS 21 Cb 1.98 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 33.14 2kku h LYS 21 CO 0.06 0.45 -1.44 0.36 -2.81 0.00 0.00 179.45 176.06 2kku n LYS 22 N -4.75 0.63 -0.21 1.90 2.85 -1.02 -4.99 118.16 112.57 2kku n LYS 22 Ca -0.02 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 2kku n LYS 22 Cb 0.13 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 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 1.41 2.05 3.13 2.58 0.00 -0.82 -4.87 105.19 108.66 2kku n GLY 23 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.04 0.55 0.51 1.61 2.20 -1.24 -2.63 119.74 120.70 2kku s LYS 24 Ca 0.00 0.84 0.03 0.00 -0.36 0.00 0.00 55.97 56.48 2kku s LYS 24 Cb 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 2kku s LYS 24 CO 0.00 -0.74 0.17 0.34 -0.36 0.00 0.00 175.35 174.75 2kku s ASP 25 N 2.83 4.34 -0.21 1.43 -1.08 0.92 -4.80 116.67 120.09 2kku s ASP 25 Ca 0.17 -1.45 -0.02 0.00 -0.52 0.00 0.00 52.55 50.73 2kku s ASP 25 Cb -0.14 0.38 0.06 0.00 -1.46 0.00 0.00 42.92 41.77 2kku s ASP 25 CO -0.22 -0.92 0.03 -0.69 0.52 0.00 0.00 175.17 173.89 2kku s VAL 26 N -2.81 0.75 -0.51 1.11 1.01 -0.22 -0.18 120.40 119.55 2kku s VAL 26 Ca 0.20 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 2kku s VAL 26 Cb 0.01 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.18 2kku s VAL 26 CO 0.12 -0.24 0.85 0.12 0.00 0.00 0.00 175.10 175.95 2kku s PHE 27 N 1.75 2.90 -0.17 5.22 5.36 0.20 -2.62 117.98 130.62 2kku s PHE 27 Ca -0.01 0.00 -0.20 0.00 -0.96 0.00 0.00 56.93 55.76 2kku s PHE 27 Cb -0.17 -3.87 -0.03 0.00 -0.34 0.00 0.00 43.02 38.61 2kku s PHE 27 CO -0.09 -1.18 0.58 0.14 -1.46 0.00 0.00 175.22 173.21 2kku s VAL 28 N 3.56 5.08 -0.14 3.12 -7.23 -1.26 -1.40 120.40 122.13 2kku s VAL 28 Ca 0.29 1.11 -0.03 0.00 -1.81 0.00 0.00 61.98 61.53 2kku s VAL 28 Cb -0.13 -3.90 -0.03 0.00 0.56 0.00 0.00 36.38 32.88 2kku s VAL 28 CO 0.20 0.19 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.60 2kku s LYS 29 N 1.44 3.55 -0.67 4.82 -0.14 -0.25 -4.97 119.74 123.52 2kku s LYS 29 Ca 0.28 -0.51 -0.07 0.00 -1.36 0.00 0.00 55.97 54.31 2kku s LYS 29 Cb -0.16 -2.88 -0.17 0.00 -1.68 0.00 0.00 37.83 32.94 2kku s LYS 29 CO 0.11 0.31 3.09 -0.35 -0.76 0.00 0.00 175.35 177.75 2kku n PRO 30 N 3.31 2.52 -2.82 -1.68 -0.04 -1.26 -0.89 135.00 134.14 2kku n PRO 30 Ca -0.17 -1.42 -0.03 0.00 -0.04 0.00 0.00 63.50 61.83 2kku n PRO 30 Cb 0.53 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 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 3.08 -3.21 0.01 0.55 0.00 -0.98 -4.83 120.51 115.13 2kku n ALA 31 Ca 0.54 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.60 2kku n ALA 31 Cb 0.55 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2kku n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kku n THR 32 N 0.48 0.07 -3.70 0.00 -1.04 -1.26 -5.04 114.28 103.79 2kku n THR 32 Ca 0.03 0.02 -0.38 0.00 -2.04 0.00 0.00 64.05 61.68 2kku n THR 32 Cb 0.18 -0.54 -0.11 0.00 -1.82 0.00 0.00 70.33 68.04 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 -1.13 3.88 0.00 12.58 -7.23 -1.26 -4.82 120.40 122.42 2kku s VAL 33 Ca 0.00 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2kku s VAL 33 Cb 0.00 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.62 2kku s VAL 33 CO 0.00 -0.37 0.00 -2.67 -0.31 0.00 0.00 175.10 171.75 2kku n TRP 34 N 4.82 0.00 0.23 2.82 4.27 -1.26 -4.70 117.44 123.62 2kku n TRP 34 Ca -0.10 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.36 2kku n TRP 34 Cb 0.43 0.00 -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 -0.57 -0.00 -2.67 1.57 -2.05 -3.24 116.57 109.61 2kku h LYS 35 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2kku h LYS 35 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2kku h LYS 35 CO 0.00 -0.28 -0.79 0.39 -0.57 0.00 0.00 179.45 178.20 2kku n GLU 36 N -5.25 0.95 -1.95 3.15 -0.58 -1.26 -4.97 120.64 110.72 2kku n GLU 36 Ca -0.11 -0.17 -0.43 0.00 -0.42 0.00 0.00 57.16 56.03 2kku n GLU 36 Cb 0.29 -1.38 -0.03 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.77 3.56 0.03 -4.62 1.98 -1.22 -4.98 118.68 110.65 2kku s LEU 37 Ca 0.09 1.45 0.00 0.00 -2.89 0.00 0.00 54.13 52.78 2kku s LEU 37 Cb 0.14 -3.52 -0.02 0.00 0.66 0.00 0.00 46.19 43.45 2kku s LEU 37 CO 0.72 -1.67 -0.04 -1.59 -1.89 0.00 0.00 176.35 171.87 2kku s LYS 38 N 5.60 0.38 -0.45 1.98 0.00 -1.26 -4.89 119.74 121.10 2kku s LYS 38 Ca 0.82 -0.69 -0.28 0.00 0.00 0.00 0.00 55.97 55.82 2kku s LYS 38 Cb -0.25 0.03 -0.02 0.00 0.00 0.00 0.00 37.83 37.60 2kku s LYS 38 CO 0.34 -0.03 1.78 -1.25 0.00 0.00 0.00 175.35 176.19 2kku s PRO 39 N -1.68 3.07 0.00 1.78 0.04 -1.26 -2.93 135.00 134.02 2kku s PRO 39 Ca -0.13 1.04 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2kku s PRO 39 Cb -0.09 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2kku s PRO 39 CO -0.01 -2.18 0.00 0.41 0.04 0.00 0.00 177.00 175.25 2kku n GLY 40 N 5.50 0.62 3.70 0.56 0.00 -0.10 -4.91 105.19 110.56 2kku n GLY 40 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.16 -4.04 1.61 2.81 -1.15 -4.82 117.12 109.37 2kku n MET 41 Ca 0.00 -1.92 -0.22 0.00 -1.81 0.00 0.00 57.70 53.75 2kku n MET 41 Cb 0.00 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 30.97 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 -5.72 2.80 -0.24 0.03 -2.85 -0.90 -0.78 119.74 112.09 2kku s LYS 42 Ca 0.74 -1.17 -0.03 0.00 -1.00 0.00 0.00 55.97 54.50 2kku s LYS 42 Cb -0.04 -2.50 0.08 0.00 -2.06 0.00 0.00 37.83 33.31 2kku s LYS 42 CO 0.54 0.30 0.09 0.12 0.10 0.00 0.00 175.35 176.50 2kku s PHE 43 N -2.21 0.71 -0.01 1.78 2.19 -0.25 -1.82 117.98 118.37 2kku s PHE 43 Ca 0.35 -0.90 -0.20 0.00 0.33 0.00 0.00 56.93 56.51 2kku s PHE 43 Cb -0.07 -1.03 -0.05 0.00 -1.31 0.00 0.00 43.02 40.56 2kku s PHE 43 CO 0.25 -0.71 0.59 0.08 1.83 0.00 0.00 175.22 177.26 2kku s VAL 44 N 1.96 4.92 -0.53 3.12 1.01 -0.88 -0.42 120.40 129.60 2kku s VAL 44 Ca 0.05 1.23 -0.17 0.00 0.00 0.00 0.00 61.98 63.09 2kku s VAL 44 Cb -0.16 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.38 2kku s VAL 44 CO -0.21 0.41 0.54 -0.36 0.00 0.00 0.00 175.10 175.48 2kku s PHE 45 N -0.16 3.15 0.61 5.22 0.08 0.00 -2.55 117.98 124.34 2kku s PHE 45 Ca 0.31 -0.97 -0.16 0.00 0.12 0.00 0.00 56.93 56.22 2kku s PHE 45 Cb -0.18 -3.63 -0.02 0.00 -0.57 0.00 0.00 43.02 38.62 2kku s PHE 45 CO 0.17 -1.03 1.11 -0.47 -0.10 0.00 0.00 175.22 174.90 2kku s TYR 46 N 2.06 2.69 0.32 0.36 5.04 -0.30 -1.68 117.35 125.84 2kku s TYR 46 Ca 0.08 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 2kku s TYR 46 Cb -0.25 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 38.88 2kku s TYR 46 CO 0.06 -1.57 0.00 0.94 -1.34 0.00 0.00 175.55 173.65 2kku n GLN 47 N -2.02 -2.59 -3.47 4.97 7.27 -0.42 -4.11 117.38 117.02 2kku n GLN 47 Ca 0.10 1.95 -0.23 0.00 0.07 0.00 0.00 57.00 58.90 2kku n GLN 47 Cb 0.52 -2.28 0.03 0.00 2.41 0.00 0.00 30.24 30.92 2kku n GLN 47 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2kku s SER 48 N -3.37 4.86 -0.76 1.69 0.01 -0.25 -2.29 113.70 113.59 2kku s SER 48 Ca 0.00 -1.06 -0.26 0.00 1.31 0.00 0.00 55.95 55.95 2kku s SER 48 Cb 0.00 0.37 -0.09 0.00 0.21 0.00 0.00 66.02 66.51 2kku s SER 48 CO 0.00 -1.23 2.21 -2.28 0.41 0.00 0.00 173.24 172.36 2kku s HIS 49 N -2.72 1.38 0.00 2.43 2.46 -1.26 -3.43 115.29 114.15 2kku s HIS 49 Ca 0.48 1.40 0.00 0.00 0.47 0.00 0.00 55.06 57.40 2kku s HIS 49 Cb -0.04 -3.71 0.00 0.00 -0.13 0.00 0.00 32.58 28.70 2kku s HIS 49 CO 0.30 -1.83 0.00 0.39 -2.47 0.00 0.00 174.74 171.13 2kku n GLU 50 N 8.90 0.00 -0.88 2.88 4.71 -1.26 -4.98 120.64 130.01 2kku n GLU 50 Ca 0.41 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 57.25 2kku n GLU 50 Cb 0.47 0.00 0.16 0.00 -1.01 0.00 0.00 31.44 31.06 2kku n GLU 50 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2kku s ASP 51 N 0.00 3.05 -0.05 1.62 2.15 -1.22 -5.04 116.67 117.19 2kku s ASP 51 Ca 0.00 1.90 -0.07 0.00 0.43 0.00 0.00 52.55 54.81 2kku s ASP 51 Cb 0.00 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 2kku s ASP 51 CO 0.00 -2.97 0.23 -0.89 -0.17 0.00 0.00 175.17 171.37 2kku s THR 52 N -2.72 5.36 0.00 1.71 2.01 -1.26 -1.09 115.64 119.65 2kku s THR 52 Ca 0.65 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.89 2kku s THR 52 Cb -0.21 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.78 2kku s THR 52 CO 0.58 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.62 2kku n GLY 53 N 1.54 0.77 3.05 4.40 0.00 -1.26 -4.75 105.19 108.94 2kku n GLY 53 Ca -0.15 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.17 -0.07 1.61 0.08 -1.23 -1.30 117.98 116.90 2kku s PHE 54 Ca 0.00 0.40 0.04 0.00 0.12 0.00 0.00 56.93 57.50 2kku s PHE 54 Cb 0.00 0.05 -0.24 0.00 -0.57 0.00 0.00 43.02 42.26 2kku s PHE 54 CO 0.00 -0.10 0.55 1.55 -0.10 0.00 0.00 175.22 177.12 2kku n VAL 55 N 2.89 1.69 -3.10 -0.44 3.14 -0.68 -4.59 118.33 117.25 2kku n VAL 55 Ca -0.13 -0.74 0.00 0.00 -2.96 0.00 0.00 64.34 60.51 2kku n VAL 55 Cb 0.59 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 2kku n VAL 55 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kku n GLY 56 N 1.74 -0.57 3.54 7.55 0.00 -1.14 -1.31 105.19 115.00 2kku n GLY 56 Ca -0.23 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.19 1.88 0.20 1.61 -1.05 -0.64 -0.82 118.70 119.69 2kku s GLU 57 Ca 0.00 -1.64 -0.19 0.00 -0.15 0.00 0.00 54.97 53.00 2kku s GLU 57 Cb 0.00 0.47 0.07 0.00 -0.44 0.00 0.00 34.13 34.22 2kku s GLU 57 CO 0.00 -0.79 0.90 0.00 0.95 0.00 0.00 175.26 176.32 2kku n ALA 58 N -0.52 -2.31 -3.64 -0.84 0.00 0.44 -0.07 120.51 113.56 2kku n ALA 58 Ca -0.01 -0.98 -0.32 0.00 0.00 0.00 0.00 53.44 52.13 2kku n ALA 58 Cb 0.61 0.59 -0.17 0.00 0.00 0.00 0.00 19.45 20.49 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 -2.05 2.97 0.11 0.00 1.81 -0.35 -1.09 118.95 120.34 2kku s ARG 59 Ca 0.20 -0.84 -0.31 0.00 -1.72 0.00 0.00 55.73 53.06 2kku s ARG 59 Cb -0.03 -2.39 -0.07 0.00 -0.45 0.00 0.00 34.95 32.01 2kku s ARG 59 CO 0.06 -0.01 1.30 0.42 -0.68 0.00 0.00 175.30 176.40 2kku s ILE 60 N 0.80 3.57 0.41 1.52 1.01 0.04 -1.51 121.20 127.04 2kku s ILE 60 Ca -0.08 1.15 0.02 0.00 0.00 0.00 0.00 60.65 61.75 2kku s ILE 60 Cb -0.16 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 2kku s ILE 60 CO -0.01 0.10 0.09 0.29 0.00 0.00 0.00 174.94 175.41 2kku n LYS 61 N 3.73 0.70 -0.70 2.79 4.76 0.60 -0.93 118.16 129.11 2kku n LYS 61 Ca 0.10 -3.29 -0.31 0.00 -2.87 0.00 0.00 58.31 51.94 2kku n LYS 61 Cb 0.44 1.44 -0.06 0.00 -1.84 0.00 0.00 35.03 35.02 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 -0.97 0.00 -2.76 1.97 1.85 -1.26 -2.64 116.66 112.86 2kku n ARG 62 Ca -0.11 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.32 2kku n ARG 62 Cb 0.58 -0.73 -0.03 0.00 -1.05 0.00 0.00 32.46 31.22 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 2.40 4.36 -0.46 8.89 -7.23 -1.26 -3.22 120.40 123.87 2kku s VAL 63 Ca 0.56 0.79 -0.23 0.00 -1.81 0.00 0.00 61.98 61.29 2kku s VAL 63 Cb -0.73 -4.51 0.03 0.00 0.56 0.00 0.00 36.38 31.72 2kku s VAL 63 CO 0.35 -0.96 0.82 -0.69 -0.31 0.00 0.00 175.10 174.31 2kku s VAL 64 N 4.04 4.60 -0.23 1.32 1.01 -0.35 -4.78 120.40 126.01 2kku s VAL 64 Ca 0.39 0.43 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 2kku s VAL 64 Cb -0.10 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2kku s VAL 64 CO 0.26 -0.78 0.63 -0.76 0.00 0.00 0.00 175.10 174.45 2kku s LEU 65 N 3.42 4.10 -0.13 3.92 1.43 -1.26 -0.98 118.68 129.18 2kku s LEU 65 Ca 0.31 0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 54.05 2kku s LEU 65 Cb -0.12 -2.87 0.03 0.00 0.03 0.00 0.00 46.19 43.27 2kku s LEU 65 CO 0.23 -0.32 0.35 -0.55 0.23 0.00 0.00 176.35 176.28 2kku s SER 66 N 1.34 -0.36 0.00 2.29 0.15 -0.56 -5.03 113.70 111.53 2kku s SER 66 Ca 0.27 0.69 0.29 0.00 0.70 0.00 0.00 55.95 57.90 2kku s SER 66 Cb -0.16 0.71 1.27 0.00 -1.71 0.00 0.00 66.02 66.13 2kku s SER 66 CO 0.09 -0.13 1.94 -0.62 1.20 0.00 0.00 173.24 175.72 2kku n GLU 67 N 2.84 0.06 -3.91 5.44 1.02 -1.26 -0.99 120.64 123.84 2kku n GLU 67 Ca -0.13 -0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.66 2kku n GLU 67 Cb 0.58 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.35 2kku n GLU 67 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2kku s ASN 68 N -2.94 4.29 0.31 1.62 0.01 -1.26 -3.81 114.94 113.15 2kku s ASN 68 Ca 0.16 -0.42 0.24 0.00 -0.71 0.00 0.00 52.86 52.14 2kku s ASN 68 Cb 0.19 -1.73 1.09 0.00 0.41 0.00 0.00 41.25 41.21 2kku s ASN 68 CO 0.52 -0.03 1.74 1.55 -1.51 0.00 0.00 177.10 179.37 2kku h PRO 69 N 8.11 0.00 0.00 -0.60 0.13 -1.88 -3.07 132.00 134.70 2kku h PRO 69 Ca -0.41 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.67 2kku h PRO 69 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kku h PRO 69 CO 0.60 0.00 -0.21 0.52 -0.23 0.00 0.00 178.00 178.69 2kku h MET 70 N 0.00 0.00 0.00 0.86 2.86 -1.97 -3.03 114.93 113.65 2kku h MET 70 Ca 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2kku h MET 70 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2kku h MET 70 CO 0.00 0.21 -0.30 1.96 1.06 0.00 0.00 176.91 179.83 2kku h GLN 71 N 0.00 0.00 0.00 1.72 4.20 -1.97 -2.37 115.11 116.70 2kku h GLN 71 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2kku h GLN 71 Cb 0.88 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 2kku h GLN 71 CO 0.03 0.30 -0.03 0.74 -0.67 0.00 0.00 178.83 179.20 2kku h PHE 72 N 0.00 0.00 0.16 2.96 0.04 -1.74 -1.79 116.94 116.56 2kku h PHE 72 Ca -0.00 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.41 2kku h PHE 72 Cb 0.70 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 2kku h PHE 72 CO 0.00 0.03 -1.89 0.74 -0.60 0.00 0.00 178.31 176.59 2kku h PHE 73 N 0.00 0.60 0.00 -0.55 0.04 -1.58 -0.12 116.94 115.33 2kku h PHE 73 Ca -0.00 -0.44 -0.07 0.00 2.80 0.00 0.00 57.97 60.26 2kku h PHE 73 Cb 0.60 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2kku h PHE 73 CO 0.00 1.74 -0.35 1.05 -0.60 0.00 0.00 178.31 180.15 2kku h GLU 74 N 0.09 0.00 0.00 1.51 4.11 -1.49 -2.64 114.58 116.15 2kku h GLU 74 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 2kku h GLU 74 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2kku h GLU 74 CO 0.13 0.35 -0.13 1.15 0.07 0.00 0.00 179.01 180.59 2kku h THR 75 N 0.00 0.00 0.00 -1.06 2.02 -1.43 -3.46 112.91 108.98 2kku h THR 75 Ca -0.00 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.31 2kku h THR 75 Cb 0.74 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2kku h THR 75 CO 0.05 0.00 -0.19 0.49 0.37 0.00 0.00 175.52 176.23 2kku n PHE 76 N -4.39 0.00 0.00 3.16 3.72 -0.18 -5.01 117.46 114.76 2kku n PHE 76 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2kku n PHE 76 Cb 0.07 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 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 1.75 1.82 0.36 1.37 0.00 -0.48 -3.86 105.19 106.16 2kku n GLY 77 Ca -0.03 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 0.65 -0.15 1.61 3.58 -1.89 -2.12 116.42 118.10 2kku h ASP 78 Ca 0.00 0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.33 2kku h ASP 78 Cb 0.00 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2kku h ASP 78 CO 0.00 0.39 -0.38 0.03 -2.88 0.00 0.00 179.24 176.40 2kku h ARG 79 N 0.73 0.67 -7.08 0.28 2.47 -1.87 -3.45 114.38 106.12 2kku h ARG 79 Ca 0.36 -0.33 -0.53 0.00 -1.26 0.00 0.00 59.98 58.22 2kku h ARG 79 Cb 0.44 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 28.88 2kku h ARG 79 CO -0.14 0.94 0.50 0.08 0.56 0.00 0.00 179.97 181.91 2kku s VAL 80 N -4.32 2.54 -1.14 2.04 1.01 -0.80 -1.06 120.40 118.68 2kku s VAL 80 Ca -0.08 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.33 2kku s VAL 80 Cb 0.12 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.43 2kku s VAL 80 CO 0.84 -0.05 1.21 2.22 0.00 0.00 0.00 175.10 179.31 2kku n PHE 81 N -1.39 0.00 -4.00 5.22 1.16 -1.08 -4.70 117.46 112.67 2kku n PHE 81 Ca 0.13 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.61 2kku n PHE 81 Cb 0.49 -0.43 -0.06 0.00 -1.61 0.00 0.00 39.48 37.86 2kku n PHE 81 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 2kku s LEU 82 N -2.86 0.53 0.00 5.98 2.34 -1.26 -4.77 118.68 118.63 2kku s LEU 82 Ca 0.05 -0.94 0.02 0.00 0.06 0.00 0.00 54.13 53.32 2kku s LEU 82 Cb 0.05 1.51 0.02 0.00 -0.56 0.00 0.00 46.19 47.22 2kku s LEU 82 CO 0.14 -1.05 0.21 1.07 -1.06 0.00 0.00 176.35 175.65 2kku n THR 83 N -0.33 0.00 0.02 5.48 5.66 -1.26 -4.87 114.28 118.97 2kku n THR 83 Ca -0.03 -1.50 0.05 0.00 -3.05 0.00 0.00 64.05 59.52 2kku n THR 83 Cb 0.63 -0.06 0.45 0.00 -1.55 0.00 0.00 70.33 69.80 2kku n THR 83 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2kku h LYS 84 N 0.00 0.48 -0.56 1.09 3.64 -1.96 -0.60 116.57 118.66 2kku h LYS 84 Ca -0.25 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 2kku h LYS 84 Cb 0.85 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 2kku h LYS 84 CO 0.39 0.32 0.25 -0.44 -2.27 0.00 0.00 179.45 177.70 2kku h ASP 85 N 0.49 0.75 0.96 4.20 3.32 -2.00 -1.19 116.42 122.96 2kku h ASP 85 Ca 0.15 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2kku h ASP 85 Cb -0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2kku h ASP 85 CO -0.03 0.68 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.50 2kku h GLU 86 N 0.76 0.00 -0.04 3.56 3.07 -1.71 -2.79 114.58 117.44 2kku h GLU 86 Ca 0.19 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 2kku h GLU 86 Cb 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2kku h GLU 86 CO -0.02 0.34 -0.05 1.25 -1.40 0.00 0.00 179.01 179.12 2kku h LEU 87 N 0.00 0.11 -0.71 1.33 5.85 -0.81 -2.24 115.31 118.85 2kku h LEU 87 Ca -0.00 -0.53 -0.09 0.00 0.84 0.00 0.00 57.88 58.10 2kku h LEU 87 Cb 0.91 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2kku h LEU 87 CO 0.04 0.62 0.02 0.07 -0.34 0.00 0.00 178.44 178.85 2kku h LYS 88 N -0.40 1.02 -0.13 1.25 5.09 -1.23 -0.61 116.57 121.56 2kku h LYS 88 Ca 0.00 -0.30 -0.12 0.00 0.09 0.00 0.00 60.65 60.32 2kku h LYS 88 Cb 0.60 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.81 2kku h LYS 88 CO 0.01 0.98 -0.46 1.05 -2.09 0.00 0.00 179.45 178.95 2kku h GLU 89 N 0.94 0.31 -0.34 0.07 4.11 -1.60 -1.34 114.58 116.72 2kku h GLU 89 Ca 0.17 -0.16 -0.07 0.00 0.07 0.00 0.00 59.36 59.37 2kku h GLU 89 Cb 0.51 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kku h GLU 89 CO 0.02 0.71 -0.06 -0.92 0.07 0.00 0.00 179.01 178.83 2kku h TYR 90 N 0.25 0.73 -0.30 2.06 3.20 -0.93 0.62 116.97 122.60 2kku h TYR 90 Ca 0.02 -0.15 -0.18 0.00 3.14 0.00 0.00 58.73 61.56 2kku h TYR 90 Cb 0.91 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 2kku h TYR 90 CO 0.02 0.80 -0.52 0.52 -1.64 0.00 0.00 178.16 177.35 2kku h MET 91 N 0.44 0.89 -0.04 1.82 2.86 -1.07 -2.64 114.93 117.19 2kku h MET 91 Ca 0.09 -0.55 -0.08 0.00 -2.06 0.00 0.00 59.70 57.10 2kku h MET 91 Cb 0.56 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2kku h MET 91 CO 0.03 1.19 -0.34 0.87 1.06 0.00 0.00 176.91 179.71 2kku h LYS 92 N 0.68 0.08 -0.51 1.72 1.79 -1.24 -2.93 116.57 116.16 2kku h LYS 92 Ca 0.02 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2kku h LYS 92 Cb 1.12 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 2kku h LYS 92 CO 0.12 0.42 0.30 1.03 -1.08 0.00 0.00 179.45 180.23 2kku h SER 93 N 0.07 0.61 0.14 0.86 0.87 -0.63 0.07 113.55 115.54 2kku h SER 93 Ca 0.01 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2kku h SER 93 Cb 0.65 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2kku h SER 93 CO 0.05 0.50 0.00 0.00 -0.53 0.00 0.00 176.83 176.84 2kku n GLN 94 N -4.68 0.62 0.00 2.24 1.13 -1.01 -1.24 117.38 114.43 2kku n GLN 94 Ca 0.02 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2kku n GLN 94 Cb 0.06 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.91 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 -1.09 1.28 -0.09 -1.09 0.28 -1.06 -1.70 120.64 117.17 2kku n GLU 95 Ca 0.16 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.95 2kku n GLU 95 Cb 0.11 -0.95 -0.12 0.00 1.43 0.00 0.00 31.44 31.91 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 0.01 0.21 3.44 0.11 -0.89 -3.36 114.38 113.91 2kku h ARG 96 Ca 0.00 -0.03 -0.32 0.00 0.10 0.00 0.00 59.98 59.73 2kku h ARG 96 Cb 0.22 0.01 0.02 0.00 1.11 0.00 0.00 29.97 31.33 2kku h ARG 96 CO 0.00 1.01 -1.48 -1.49 0.10 0.00 0.00 179.97 178.11 2kku h TRP 97 N -0.95 0.80 0.00 4.08 4.06 -1.38 -3.46 115.95 119.10 2kku h TRP 97 Ca -0.30 -0.59 0.00 0.00 2.06 0.00 0.00 58.89 60.07 2kku h TRP 97 Cb 1.29 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.42 2kku h TRP 97 CO 0.13 1.51 0.00 0.41 -3.56 0.00 0.00 178.44 176.92 2kku n GLY 98 N 1.70 1.35 3.64 1.49 0.00 -0.99 -5.03 105.19 107.35 2kku n GLY 98 Ca -0.16 -1.39 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 2.63 0.56 -0.15 1.61 3.52 -0.69 -4.57 118.95 121.86 2kku s ARG 99 Ca 0.00 0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 56.14 2kku s ARG 99 Cb 0.00 0.18 0.11 0.00 -1.56 0.00 0.00 34.95 33.68 2kku s ARG 99 CO 0.00 -0.10 0.93 -0.98 -0.81 0.00 0.00 175.30 174.35 2kku s ARG 100 N 1.01 0.68 0.00 5.12 1.70 -1.26 -4.82 118.95 121.38 2kku s ARG 100 Ca -0.05 0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 2kku s ARG 100 Cb -0.05 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2kku s ARG 100 CO -0.12 -0.20 0.00 -2.13 -1.08 0.00 0.00 175.30 171.77 2kku n ARG 101 N 0.95 0.00 -3.57 3.89 0.63 -1.26 -5.02 116.66 112.28 2kku n ARG 101 Ca -0.12 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.80 2kku n ARG 101 Cb 0.57 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.43 2kku n ARG 101 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2kku s GLU 102 N 0.00 0.28 -0.21 -0.14 2.12 -1.26 -5.10 118.70 114.39 2kku s GLU 102 Ca 0.00 0.54 -0.08 0.00 0.36 0.00 0.00 54.97 55.80 2kku s GLU 102 Cb 0.00 0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.56 2kku s GLU 102 CO 0.00 -0.07 0.15 0.45 -0.54 0.00 0.00 175.26 175.25 2kku n SER 103 N 3.93 -3.41 -4.56 -1.70 2.88 -1.26 -4.85 113.62 104.65 2kku n SER 103 Ca -0.16 1.34 -0.36 0.00 -1.33 0.00 0.00 58.87 58.36 2kku n SER 103 Cb 0.56 -5.00 -0.04 0.00 -0.75 0.00 0.00 64.21 58.98 2kku n SER 103 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2kku s LYS 104 N -0.96 2.99 0.09 -1.46 -0.14 -1.26 -4.93 119.74 114.07 2kku s LYS 104 Ca -0.17 -0.36 0.03 0.00 -1.36 0.00 0.00 55.97 54.11 2kku s LYS 104 Cb 0.01 -4.87 -0.04 0.00 -1.68 0.00 0.00 37.83 31.25 2kku s LYS 104 CO 0.73 -2.69 -0.09 0.21 -0.76 0.00 0.00 175.35 172.76 2kku s LYS 105 N 6.18 0.82 1.14 1.68 2.20 -1.26 -5.17 119.74 125.33 2kku s LYS 105 Ca 0.56 -1.19 -0.19 0.00 -0.36 0.00 0.00 55.97 54.80 2kku s LYS 105 Cb -0.06 -0.41 0.27 0.00 -1.51 0.00 0.00 37.83 36.12 2kku s LYS 105 CO 0.03 0.05 1.22 -1.59 -0.36 0.00 0.00 175.35 174.70 2kku s LYS 106 N -3.03 -0.73 0.00 4.03 0.00 -1.26 -5.11 119.74 113.63 2kku s LYS 106 Ca 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 55.97 55.69 2kku s LYS 106 Cb -0.01 -1.68 -0.00 0.00 0.00 0.00 0.00 37.83 36.14 2kku s LYS 106 CO -0.01 -3.34 -0.03 0.21 0.00 0.00 0.00 175.35 172.18 2kku s LYS 107 N -5.72 0.25 -0.84 1.78 2.47 -1.25 -5.09 119.74 111.34 2kku s LYS 107 Ca 0.74 -0.14 -0.25 0.00 -1.56 0.00 0.00 55.97 54.76 2kku s LYS 107 Cb -0.05 -0.22 0.02 0.00 -1.46 0.00 0.00 37.83 36.12 2kku s LYS 107 CO 0.55 0.06 1.51 -1.17 0.16 0.00 0.00 175.35 176.45 2kku s LEU 108 N -0.16 3.30 0.46 5.43 1.98 -1.26 -4.15 118.68 124.27 2kku s LEU 108 Ca 0.00 -0.71 -0.11 0.00 -2.89 0.00 0.00 54.13 50.42 2kku s LEU 108 Cb -0.02 -2.56 -0.06 0.00 0.66 0.00 0.00 46.19 44.21 2kku s LEU 108 CO -0.00 -1.92 0.85 0.26 -1.89 0.00 0.00 176.35 173.65 2kku s TRP 109 N 6.52 3.49 -0.03 5.38 0.52 -0.16 -2.32 118.94 132.33 2kku s TRP 109 Ca 0.48 1.14 0.01 0.00 0.02 0.00 0.00 56.10 57.75 2kku s TRP 109 Cb -0.06 -2.54 0.03 0.00 -1.15 0.00 0.00 33.47 29.75 2kku s TRP 109 CO 0.05 -0.24 -0.01 0.00 0.02 0.00 0.00 176.95 176.76 2kku s MET 110 N -4.13 0.48 -0.48 4.98 0.23 -0.07 -1.49 119.30 118.82 2kku s MET 110 Ca 0.53 0.02 -0.11 0.00 -1.03 0.00 0.00 55.69 55.09 2kku s MET 110 Cb -0.10 -0.61 0.12 0.00 -1.53 0.00 0.00 34.83 32.70 2kku s MET 110 CO 0.35 -0.12 0.38 0.00 -2.03 0.00 0.00 175.02 173.60 2kku s ALA 111 N 1.00 3.46 -0.37 3.16 0.00 -0.15 -1.09 121.76 127.76 2kku s ALA 111 Ca -0.10 -2.48 -0.27 0.00 0.00 0.00 0.00 51.96 49.11 2kku s ALA 111 Cb -0.14 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.07 2kku s ALA 111 CO -0.01 -1.90 1.00 0.42 0.00 0.00 0.00 175.76 175.27 2kku s ILE 112 N 1.44 4.50 -0.67 0.00 1.01 -0.49 -1.21 121.20 125.78 2kku s ILE 112 Ca 0.05 1.37 -0.27 0.00 0.00 0.00 0.00 60.65 61.79 2kku s ILE 112 Cb -0.27 -4.40 0.03 0.00 0.01 0.00 0.00 42.46 37.83 2kku s ILE 112 CO 0.01 -0.59 1.22 -0.70 0.00 0.00 0.00 174.94 174.88 2kku s GLU 113 N 3.68 3.30 -0.47 2.79 2.12 -1.08 -0.63 118.70 128.41 2kku s GLU 113 Ca 0.42 -0.10 -0.24 0.00 0.36 0.00 0.00 54.97 55.40 2kku s GLU 113 Cb -0.11 -4.12 0.03 0.00 0.26 0.00 0.00 34.13 30.19 2kku s GLU 113 CO 0.20 -1.95 0.88 -0.51 -0.54 0.00 0.00 175.26 173.34 2kku s LEU 114 N 5.33 4.11 0.49 2.70 2.01 0.75 -0.29 118.68 133.77 2kku s LEU 114 Ca 0.37 -0.04 0.07 0.00 0.01 0.00 0.00 54.13 54.54 2kku s LEU 114 Cb -0.08 -3.06 0.02 0.00 0.01 0.00 0.00 46.19 43.08 2kku s LEU 114 CO 0.18 -1.04 0.45 -1.83 1.01 0.00 0.00 176.35 175.12 2kku s GLU 115 N 3.64 2.39 -1.55 1.70 -1.05 -0.57 -0.06 118.70 123.20 2kku s GLU 115 Ca 0.34 -1.74 -0.05 0.00 -0.15 0.00 0.00 54.97 53.37 2kku s GLU 115 Cb -0.11 -2.31 0.01 0.00 -0.44 0.00 0.00 34.13 31.27 2kku s GLU 115 CO 0.24 -0.45 0.62 -3.47 0.95 0.00 0.00 175.26 173.15 2kku n ASP 116 N -1.73 -6.15 -4.56 0.83 2.03 -1.20 -1.21 116.55 104.54 2kku n ASP 116 Ca 0.03 -0.29 -0.40 0.00 0.52 0.00 0.00 54.79 54.65 2kku n ASP 116 Cb 0.63 -4.96 -0.03 0.00 -0.72 0.00 0.00 41.12 36.04 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 -3.19 3.45 0.45 5.18 1.01 -1.08 -4.45 120.40 121.77 2kku s VAL 117 Ca 0.31 0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 2kku s VAL 117 Cb -0.14 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 2kku s VAL 117 CO 0.38 -0.84 0.85 -0.75 0.00 0.00 0.00 175.10 174.74 2kku s LYS 118 N 6.51 3.83 -0.10 2.72 2.47 0.89 -4.86 119.74 131.21 2kku s LYS 118 Ca 0.68 0.64 -0.00 0.00 -1.56 0.00 0.00 55.97 55.73 2kku s LYS 118 Cb -0.14 -2.30 -0.03 0.00 -1.46 0.00 0.00 37.83 33.90 2kku s LYS 118 CO 0.24 -0.13 -0.07 0.15 0.16 0.00 0.00 175.35 175.70 2kku s LYS 119 N -3.95 3.06 -1.00 4.03 -0.14 -1.26 -1.63 119.74 118.85 2kku s LYS 119 Ca 0.54 -0.56 -0.16 0.00 -1.36 0.00 0.00 55.97 54.42 2kku s LYS 119 Cb -0.10 -2.67 0.16 0.00 -1.68 0.00 0.00 37.83 33.53 2kku s LYS 119 CO 0.32 0.50 1.17 0.71 -0.76 0.00 0.00 175.35 177.29 2kku s TYR 120 N -0.36 3.34 0.27 3.18 2.02 -0.43 -4.80 117.35 120.57 2kku s TYR 120 Ca 0.05 -1.71 0.17 0.00 -0.37 0.00 0.00 57.07 55.21 2kku s TYR 120 Cb -0.12 -4.23 0.72 0.00 -0.40 0.00 0.00 41.96 37.93 2kku s TYR 120 CO 0.02 -1.39 1.78 -0.44 -1.57 0.00 0.00 175.55 173.95 2kku h ASP 121 N 8.18 0.00 -3.62 2.29 5.19 -1.93 -3.43 116.42 123.09 2kku h ASP 121 Ca 0.20 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 56.10 2kku h ASP 121 Cb 0.98 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.47 2kku h ASP 121 CO 1.10 0.39 0.31 -1.59 -3.12 0.00 0.00 179.24 176.33 2kku s LYS 122 N -3.84 4.73 -0.82 3.56 -2.85 -1.26 -5.02 119.74 114.25 2kku s LYS 122 Ca -0.01 1.39 -0.25 0.00 -1.00 0.00 0.00 55.97 56.09 2kku s LYS 122 Cb 0.12 -3.32 0.01 0.00 -2.06 0.00 0.00 37.83 32.59 2kku s LYS 122 CO 0.70 0.40 1.54 -1.25 0.10 0.00 0.00 175.35 176.85 2kku s PRO 123 N -0.67 3.10 -0.11 1.78 0.04 -1.26 -4.97 135.00 132.90 2kku s PRO 123 Ca 0.42 -0.33 -0.22 0.00 0.04 0.00 0.00 61.00 60.91 2kku s PRO 123 Cb -0.24 -4.69 -0.03 0.00 0.04 0.00 0.00 34.50 29.57 2kku s PRO 123 CO 0.30 -2.47 0.65 0.42 0.04 0.00 0.00 177.00 175.94 2kku s ILE 124 N 6.84 5.06 -0.08 0.56 1.01 -1.26 -5.06 121.20 128.27 2kku s ILE 124 Ca 0.50 1.31 -0.24 0.00 0.00 0.00 0.00 60.65 62.22 2kku s ILE 124 Cb -0.06 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2kku s ILE 124 CO 0.07 0.22 0.72 -0.54 0.00 0.00 0.00 174.94 175.41 2kku s LYS 125 N 1.08 4.42 0.56 2.79 3.01 -1.26 -3.58 119.74 126.77 2kku s LYS 125 Ca 0.34 0.90 -0.19 0.00 -1.01 0.00 0.00 55.97 56.00 2kku s LYS 125 Cb -0.17 -3.46 -0.05 0.00 -1.01 0.00 0.00 37.83 33.14 2kku s LYS 125 CO 0.15 0.02 1.16 -1.25 0.51 0.00 0.00 175.35 175.94 2kku s PRO 126 N 0.95 3.22 0.19 -1.68 0.04 -1.26 -4.96 135.00 131.49 2kku s PRO 126 Ca 0.38 1.69 -0.07 0.00 0.04 0.00 0.00 61.00 63.04 2kku s PRO 126 Cb -0.18 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.50 2kku s PRO 126 CO 0.18 -0.98 1.60 -0.22 0.04 0.00 0.00 177.00 177.62 2kku h LYS 127 N 1.09 0.88 -3.54 4.56 3.11 -1.98 -3.48 116.57 117.21 2kku h LYS 127 Ca -0.50 -0.36 -0.11 0.00 -2.81 0.00 0.00 60.65 56.87 2kku h LYS 127 Cb 1.28 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 32.42 2kku h LYS 127 CO 0.56 1.00 0.02 -0.98 -2.81 0.00 0.00 179.45 177.25 2kku s ARG 128 N -4.65 1.94 -0.22 1.90 1.70 -1.26 -5.13 118.95 113.23 2kku s ARG 128 Ca -0.10 -1.47 -0.29 0.00 -0.47 0.00 0.00 55.73 53.39 2kku s ARG 128 Cb 0.13 0.53 -0.00 0.00 -0.57 0.00 0.00 34.95 35.03 2kku s ARG 128 CO 0.85 -0.85 1.22 -1.17 -1.08 0.00 0.00 175.30 174.26 2kku s LEU 129 N -3.11 4.07 -0.54 -1.89 1.98 -1.26 -5.01 118.68 112.92 2kku s LEU 129 Ca 0.22 1.46 -0.16 0.00 -2.89 0.00 0.00 54.13 52.76 2kku s LEU 129 Cb -0.03 -3.54 0.11 0.00 0.66 0.00 0.00 46.19 43.40 2kku s LEU 129 CO 0.14 -0.83 0.52 -0.69 -1.89 0.00 0.00 176.35 173.60 2kku s VAL 130 N 3.67 5.14 1.31 1.68 1.01 -1.26 -5.02 120.40 126.93 2kku s VAL 130 Ca 0.52 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 2kku s VAL 130 Cb -0.18 -4.33 0.32 0.00 0.00 0.00 0.00 36.38 32.19 2kku s VAL 130 CO 0.15 -0.87 1.02 -2.16 0.00 0.00 0.00 175.10 173.25 2kku s PRO 131 N 1.81 -2.04 0.40 2.72 0.04 -1.26 -4.54 135.00 132.14 2kku s PRO 131 Ca 0.05 0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.22 2kku s PRO 131 Cb -0.28 -1.49 0.84 0.00 0.04 0.00 0.00 34.50 33.62 2kku s PRO 131 CO 0.04 -4.28 2.04 0.28 0.04 0.00 0.00 177.00 175.13 2kku h VAL 132 N -2.99 1.09 0.00 -0.36 2.07 -1.99 0.03 116.25 114.10 2kku h VAL 132 Ca -0.45 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2kku h VAL 132 Cb 1.32 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2kku h VAL 132 CO 0.32 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.63 2kku n GLY 133 N -1.47 -1.25 0.00 2.17 0.00 -1.26 -4.79 105.19 98.60 2kku n GLY 133 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.09 -1.16 3.15 -0.02 0.00 -0.00 -4.98 105.19 102.26 2kku n GLY 134 Ca 0.03 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.38 1.62 -0.47 1.61 -1.52 -0.64 -4.64 119.66 114.25 2kku s GLN 135 Ca 0.00 -0.61 -0.28 0.00 -1.95 0.00 0.00 55.36 52.52 2kku s GLN 135 Cb 0.00 -1.47 -0.00 0.00 -0.22 0.00 0.00 33.01 31.32 2kku s GLN 135 CO 0.00 0.30 1.60 0.71 -0.25 0.00 0.00 175.29 177.65 2kku s TYR 136 N -0.15 2.07 -0.06 0.91 2.02 -1.26 -0.98 117.35 119.90 2kku s TYR 136 Ca 0.01 0.62 -0.30 0.00 -0.37 0.00 0.00 57.07 57.03 2kku s TYR 136 Cb -0.09 -4.25 -0.03 0.00 -0.40 0.00 0.00 41.96 37.19 2kku s TYR 136 CO 0.01 -2.30 1.22 -1.17 -1.57 0.00 0.00 175.55 171.74 2kku s LEU 137 N 6.65 4.27 -0.08 -1.29 0.20 -0.17 -4.95 118.68 123.31 2kku s LEU 137 Ca 0.65 1.82 -0.01 0.00 0.69 0.00 0.00 54.13 57.28 2kku s LEU 137 Cb -0.15 -3.56 0.03 0.00 -0.43 0.00 0.00 46.19 42.08 2kku s LEU 137 CO 0.29 -0.61 -0.01 0.00 -0.29 0.00 0.00 176.35 175.72 2kku s ARG 138 N 2.35 0.76 0.00 1.98 3.03 -1.26 -1.69 118.95 124.13 2kku s ARG 138 Ca 0.56 0.05 0.01 0.00 2.03 0.00 0.00 55.73 58.38 2kku s ARG 138 Cb -0.25 -1.08 0.01 0.00 -1.03 0.00 0.00 34.95 32.60 2kku s ARG 138 CO 0.21 -0.30 0.53 -1.91 -1.13 0.00 0.00 175.30 172.71