#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckl n GLU 2 N 0.00 3.57 -2.35 0.00 1.02 -1.26 -0.42 120.64 121.20 1ckl n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1ckl n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1ckl n GLU 2 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ckl s GLU 3 N 3.23 4.43 0.78 3.49 8.01 -1.26 -4.54 118.70 132.85 1ckl s GLU 3 Ca 0.00 1.88 -0.14 0.00 0.01 0.00 0.00 54.97 56.72 1ckl s GLU 3 Cb 0.00 -3.28 0.07 0.00 -4.31 0.00 0.00 34.13 26.61 1ckl s GLU 3 CO 0.00 -0.22 1.21 -1.25 0.01 0.00 0.00 175.26 175.00 1ckl s PRO 4 N 0.52 1.78 1.11 0.39 0.04 -1.26 -4.98 135.00 132.60 1ckl s PRO 4 Ca 0.57 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 63.19 1ckl s PRO 4 Cb -0.32 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.52 1ckl s PRO 4 CO 0.33 -2.11 -0.03 -2.30 0.04 0.00 0.00 177.00 172.93 1ckl n PRO 5 N -3.13 -1.47 -5.15 0.56 -0.02 -1.26 -5.03 135.00 119.49 1ckl n PRO 5 Ca 0.13 -0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 60.90 1ckl n PRO 5 Cb 0.50 -1.68 -0.16 0.00 -0.02 0.00 0.00 33.50 32.14 1ckl n PRO 5 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ckl s THR 6 N -2.24 2.03 0.25 3.45 -4.23 -1.26 -4.90 115.64 108.73 1ckl s THR 6 Ca 0.55 -1.17 0.06 0.00 -1.18 0.00 0.00 61.69 59.96 1ckl s THR 6 Cb -0.12 -1.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.97 1ckl s THR 6 CO 0.66 0.50 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.80 1ckl s PHE 7 N -0.66 1.80 0.05 3.99 0.08 -1.24 -5.04 117.98 116.95 1ckl s PHE 7 Ca 0.10 -0.69 -0.17 0.00 0.12 0.00 0.00 56.93 56.29 1ckl s PHE 7 Cb -0.10 -0.97 -0.21 0.00 -0.57 0.00 0.00 43.02 41.17 1ckl s PHE 7 CO -0.00 0.25 1.18 1.49 -0.10 0.00 0.00 175.22 178.04 1ckl h GLU 8 N 2.41 0.58 0.00 0.44 4.81 -2.00 -3.37 114.58 117.44 1ckl h GLU 8 Ca -0.39 -0.57 -0.12 0.00 -0.13 0.00 0.00 59.36 58.16 1ckl h GLU 8 Cb 1.23 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 1ckl h GLU 8 CO 0.65 1.19 -1.69 0.00 -0.73 0.00 0.00 179.01 178.42 1ckl n ALA 9 N -2.60 2.26 -2.65 2.92 0.00 -1.26 -4.85 120.51 114.32 1ckl n ALA 9 Ca -0.10 -0.61 -0.32 0.00 0.00 0.00 0.00 53.44 52.41 1ckl n ALA 9 Cb 0.73 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 1ckl n ALA 9 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ckl s MET 10 N -3.13 2.68 -0.07 0.00 -1.94 -1.26 -0.37 119.30 115.21 1ckl s MET 10 Ca -0.05 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.30 1ckl s MET 10 Cb 0.10 -2.60 -0.00 0.00 2.01 0.00 0.00 34.83 34.34 1ckl s MET 10 CO 0.84 0.61 -0.22 -1.21 -0.01 0.00 0.00 175.02 175.03 1ckl s GLU 11 N -1.57 2.48 0.62 2.03 2.02 0.33 -3.70 118.70 120.91 1ckl s GLU 11 Ca 0.19 -0.79 -0.19 0.00 0.02 0.00 0.00 54.97 54.21 1ckl s GLU 11 Cb -0.11 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 1ckl s GLU 11 CO 0.10 0.25 1.27 -1.17 0.02 0.00 0.00 175.26 175.73 1ckl s LEU 12 N 0.13 3.63 -0.08 1.80 2.96 -1.26 -0.32 118.68 125.54 1ckl s LEU 12 Ca -0.10 2.56 -0.11 0.00 -0.22 0.00 0.00 54.13 56.26 1ckl s LEU 12 Cb -0.15 -4.58 -0.05 0.00 0.50 0.00 0.00 46.19 41.92 1ckl s LEU 12 CO 0.05 -1.82 0.26 -0.63 -1.32 0.00 0.00 176.35 172.89 1ckl s ILE 13 N -1.45 5.30 0.06 6.68 1.01 0.19 -4.74 121.20 128.24 1ckl s ILE 13 Ca 0.80 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1ckl s ILE 13 Cb -0.35 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1ckl s ILE 13 CO 0.38 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.50 1ckl n GLY 14 N 2.19 -2.58 3.79 6.18 0.00 -1.26 -4.73 105.19 108.77 1ckl n GLY 14 Ca -0.16 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 1ckl n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckl s LYS 15 N -2.96 4.45 0.25 1.61 1.02 -1.26 -5.02 119.74 117.84 1ckl s LYS 15 Ca 0.00 1.05 -0.31 0.00 0.02 0.00 0.00 55.97 56.73 1ckl s LYS 15 Cb 0.00 -3.15 -0.13 0.00 -0.52 0.00 0.00 37.83 34.03 1ckl s LYS 15 CO 0.00 0.53 1.36 -2.30 -0.92 0.00 0.00 175.35 174.02 1ckl n PRO 16 N 1.35 1.97 -3.85 -1.68 -0.02 -1.26 -5.03 135.00 126.48 1ckl n PRO 16 Ca -0.05 0.70 -0.21 0.00 -2.02 0.00 0.00 63.50 61.92 1ckl n PRO 16 Cb 0.49 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 1ckl n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ckl s LYS 17 N -0.63 3.21 0.06 -0.52 1.02 -1.26 -5.04 119.74 116.59 1ckl s LYS 17 Ca 0.66 -0.92 -0.06 0.00 0.02 0.00 0.00 55.97 55.68 1ckl s LYS 17 Cb -0.65 -2.79 -0.30 0.00 -0.52 0.00 0.00 37.83 33.58 1ckl s LYS 17 CO 0.52 0.30 1.10 -1.00 -0.92 0.00 0.00 175.35 175.35 1ckl h PRO 18 N 1.15 0.31 -4.51 -1.68 0.13 -1.91 -3.37 132.00 122.12 1ckl h PRO 18 Ca -0.49 -0.54 -0.37 0.00 -0.87 0.00 0.00 66.00 63.73 1ckl h PRO 18 Cb 1.24 0.20 -0.29 0.00 0.13 0.00 0.00 31.00 32.28 1ckl h PRO 18 CO 0.59 1.25 -0.77 -0.47 -0.23 0.00 0.00 178.00 178.37 1ckl s TYR 19 N -2.64 0.67 -0.06 1.56 5.04 -1.25 -4.23 117.35 116.43 1ckl s TYR 19 Ca -0.05 -0.13 0.04 0.00 -2.44 0.00 0.00 57.07 54.49 1ckl s TYR 19 Cb 0.07 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.93 1ckl s TYR 19 CO 0.89 -0.02 -0.18 0.71 -1.34 0.00 0.00 175.55 175.61 1ckl s TYR 20 N -0.09 1.89 0.83 4.97 2.02 0.44 -4.89 117.35 122.52 1ckl s TYR 20 Ca 0.02 -0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 55.97 1ckl s TYR 20 Cb -0.04 -1.29 0.09 0.00 -0.40 0.00 0.00 41.96 40.33 1ckl s TYR 20 CO -0.00 -0.25 1.10 -1.21 -1.57 0.00 0.00 175.55 173.62 1ckl s GLU 21 N 0.24 1.74 0.14 -0.62 0.41 -1.26 0.12 118.70 119.47 1ckl s GLU 21 Ca -0.10 1.23 -0.30 0.00 -0.41 0.00 0.00 54.97 55.39 1ckl s GLU 21 Cb -0.14 -1.83 -0.07 0.00 -1.78 0.00 0.00 34.13 30.30 1ckl s GLU 21 CO 0.04 -2.02 1.23 0.42 -0.49 0.00 0.00 175.26 174.43 1ckl s ILE 22 N -2.83 3.65 0.00 -1.63 1.01 -1.26 -2.21 121.20 117.93 1ckl s ILE 22 Ca 0.63 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1ckl s ILE 22 Cb -0.19 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1ckl s ILE 22 CO 0.57 0.16 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1ckl n GLY 23 N 2.66 0.66 3.75 6.18 0.00 0.29 -4.98 105.19 113.75 1ckl n GLY 23 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1ckl n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckl s GLU 24 N -0.68 4.82 -0.12 1.61 2.02 -0.94 -4.78 118.70 120.63 1ckl s GLU 24 Ca 0.00 1.52 0.02 0.00 0.02 0.00 0.00 54.97 56.53 1ckl s GLU 24 Cb 0.00 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1ckl s GLU 24 CO 0.00 0.46 -0.19 0.50 0.02 0.00 0.00 175.26 176.05 1ckl s ARG 25 N -1.09 3.21 -0.02 1.61 3.52 -1.26 -1.03 118.95 123.89 1ckl s ARG 25 Ca 0.42 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1ckl s ARG 25 Cb -0.26 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1ckl s ARG 25 CO 0.33 0.19 -0.07 0.14 -0.81 0.00 0.00 175.30 175.07 1ckl s VAL 26 N 0.36 3.61 0.04 7.11 -7.23 -0.49 -4.98 120.40 118.81 1ckl s VAL 26 Ca -0.15 -0.71 0.09 0.00 -1.81 0.00 0.00 61.98 59.40 1ckl s VAL 26 Cb -0.17 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1ckl s VAL 26 CO 0.07 0.45 -0.26 -1.81 -0.31 0.00 0.00 175.10 173.25 1ckl s ASP 27 N -1.23 3.11 0.44 4.85 1.11 -1.26 -1.59 116.67 122.10 1ckl s ASP 27 Ca 0.16 -0.57 0.06 0.00 0.18 0.00 0.00 52.55 52.38 1ckl s ASP 27 Cb -0.11 -0.29 -0.04 0.00 1.07 0.00 0.00 42.92 43.55 1ckl s ASP 27 CO 0.06 0.26 0.18 -0.31 1.18 0.00 0.00 175.17 176.54 1ckl s TYR 28 N -0.78 2.41 0.15 4.23 1.51 -0.38 -0.64 117.35 123.86 1ckl s TYR 28 Ca 0.11 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1ckl s TYR 28 Cb -0.10 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1ckl s TYR 28 CO 0.02 0.12 0.01 -1.59 -1.11 0.00 0.00 175.55 173.00 1ckl s LYS 29 N -3.94 1.02 -0.03 -0.62 -2.85 0.56 -4.81 119.74 109.07 1ckl s LYS 29 Ca 0.36 -1.48 -0.23 0.00 -1.00 0.00 0.00 55.97 53.62 1ckl s LYS 29 Cb 0.03 -0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.64 1ckl s LYS 29 CO 0.20 -0.15 0.67 0.00 0.10 0.00 0.00 175.35 176.17 1ckl s LYS 31 N 0.40 2.93 0.00 0.00 1.02 0.50 -4.69 119.74 119.89 1ckl s LYS 31 Ca 0.35 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.44 1ckl s LYS 31 Cb -0.18 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1ckl s LYS 31 CO 0.18 -1.32 0.00 1.17 -0.92 0.00 0.00 175.35 174.47 1ckl n LYS 32 N -1.41 0.00 -2.34 1.68 4.81 -1.26 -0.74 118.16 118.90 1ckl n LYS 32 Ca 0.13 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.37 1ckl n LYS 32 Cb 0.47 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.54 1ckl n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ckl n GLY 33 N 0.00 5.05 3.87 3.14 0.00 -1.26 -5.02 105.19 110.98 1ckl n GLY 33 Ca 0.00 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 1ckl n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckl s TYR 34 N -3.57 3.45 -0.12 1.61 1.51 0.08 -4.79 117.35 115.52 1ckl s TYR 34 Ca 0.44 0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 56.71 1ckl s TYR 34 Cb 0.40 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1ckl s TYR 34 CO -0.03 0.60 0.05 -0.06 -1.11 0.00 0.00 175.55 174.99 1ckl s PHE 35 N -1.38 3.28 -0.05 2.71 0.40 0.24 -4.77 117.98 118.41 1ckl s PHE 35 Ca 0.30 0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 56.54 1ckl s PHE 35 Cb -0.13 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1ckl s PHE 35 CO 0.22 0.43 1.01 -0.47 0.70 0.00 0.00 175.22 177.10 1ckl s TYR 36 N -0.54 3.57 -0.11 0.36 5.04 -1.26 -0.76 117.35 123.65 1ckl s TYR 36 Ca 0.10 1.62 0.01 0.00 -2.44 0.00 0.00 57.07 56.37 1ckl s TYR 36 Cb -0.12 -3.17 0.02 0.00 0.35 0.00 0.00 41.96 39.04 1ckl s TYR 36 CO 0.02 -0.19 -0.14 -1.50 -1.34 0.00 0.00 175.55 172.41 1ckl s ILE 37 N 1.52 1.41 0.97 3.14 2.07 0.16 -4.99 121.20 125.47 1ckl s ILE 37 Ca 0.51 -0.58 -0.14 0.00 -1.41 0.00 0.00 60.65 59.03 1ckl s ILE 37 Cb -0.20 -1.31 0.02 0.00 0.13 0.00 0.00 42.46 41.10 1ckl s ILE 37 CO 0.23 0.43 0.21 -0.81 -1.91 0.00 0.00 174.94 173.09 1ckl n PRO 38 N 4.35 -0.35 -0.00 3.50 -0.04 -1.26 -4.34 135.00 136.85 1ckl n PRO 38 Ca -0.18 -0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.26 1ckl n PRO 38 Cb 0.51 -1.73 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 1ckl n PRO 38 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ckl n PRO 39 N -1.19 1.67 -0.72 0.54 -0.04 -1.26 -5.07 135.00 128.93 1ckl n PRO 39 Ca 0.05 -0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1ckl n PRO 39 Cb 0.55 -1.15 0.02 0.00 -0.04 0.00 0.00 33.50 32.88 1ckl n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ckl n LEU 40 N -1.61 -3.41 -4.89 1.53 4.77 -1.26 -4.96 117.00 107.16 1ckl n LEU 40 Ca -0.00 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 55.89 1ckl n LEU 40 Cb 0.23 -0.53 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1ckl n LEU 40 CO 0.22 -3.70 -0.01 0.00 -1.33 0.00 0.00 177.39 172.58 1ckl s ALA 41 N -1.32 3.82 -0.37 -1.18 0.00 -1.26 -4.87 121.76 116.58 1ckl s ALA 41 Ca 0.31 -0.58 0.14 0.00 0.00 0.00 0.00 51.96 51.82 1ckl s ALA 41 Cb -0.20 -2.09 0.41 0.00 0.00 0.00 0.00 23.12 21.24 1ckl s ALA 41 CO 0.51 0.68 0.91 0.25 0.00 0.00 0.00 175.76 178.10 1ckl n THR 42 N 0.42 0.99 -3.47 0.00 -2.24 -1.26 -4.27 114.28 104.45 1ckl n THR 42 Ca -0.05 -3.93 -0.10 0.00 -2.27 0.00 0.00 64.05 57.70 1ckl n THR 42 Cb 0.52 -0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 1ckl n THR 42 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1ckl s HIS 43 N -3.00 -0.43 0.14 4.78 -3.43 -1.26 -1.24 115.29 110.83 1ckl s HIS 43 Ca 0.35 0.26 -0.14 0.00 -0.80 0.00 0.00 55.06 54.73 1ckl s HIS 43 Cb 0.41 0.55 0.02 0.00 -1.43 0.00 0.00 32.58 32.13 1ckl s HIS 43 CO -0.04 -0.70 0.36 -0.08 -2.00 0.00 0.00 174.74 172.29 1ckl s THR 44 N -3.43 0.08 0.09 -5.38 -1.32 -0.62 -4.87 115.64 100.18 1ckl s THR 44 Ca 0.03 -0.85 0.08 0.00 -1.21 0.00 0.00 61.69 59.75 1ckl s THR 44 Cb -0.01 -1.37 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 1ckl s THR 44 CO -0.11 -0.35 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.11 1ckl s ILE 45 N -3.85 1.78 -0.38 5.08 1.01 -1.26 -1.39 121.20 122.18 1ckl s ILE 45 Ca 0.06 -1.47 -0.28 0.00 0.00 0.00 0.00 60.65 58.97 1ckl s ILE 45 Cb 0.02 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1ckl s ILE 45 CO -0.09 0.05 1.07 0.00 0.00 0.00 0.00 174.94 175.97 1ckl s ASP 47 N 1.97 4.23 0.26 0.00 -4.77 -0.04 -0.54 116.67 117.77 1ckl s ASP 47 Ca 0.45 -0.38 0.10 0.00 -3.30 0.00 0.00 52.55 49.42 1ckl s ASP 47 Cb -0.10 0.06 0.55 0.00 -1.09 0.00 0.00 42.92 42.34 1ckl s ASP 47 CO 0.22 -1.95 1.18 -2.11 0.70 0.00 0.00 175.17 173.21 1ckl n ARG 48 N -2.90 0.07 -0.21 2.11 0.00 -1.26 0.28 116.66 114.76 1ckl n ARG 48 Ca 0.16 0.51 0.09 0.00 -0.00 0.00 0.00 57.85 58.61 1ckl n ARG 48 Cb 0.61 -2.02 0.20 0.00 -0.00 0.00 0.00 32.46 31.24 1ckl n ARG 48 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ckl n ASN 49 N -1.89 3.21 -3.02 2.89 5.15 -1.26 -4.93 115.26 115.42 1ckl n ASN 49 Ca -0.01 -1.93 -0.22 0.00 -0.60 0.00 0.00 54.58 51.82 1ckl n ASN 49 Cb 0.31 -0.27 0.04 0.00 -0.53 0.00 0.00 39.78 39.33 1ckl n ASN 49 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1ckl n HIS 50 N 1.09 -1.98 -4.52 1.20 8.25 0.14 -5.01 115.22 114.39 1ckl n HIS 50 Ca 0.16 0.53 -0.25 0.00 -0.26 0.00 0.00 57.72 57.90 1ckl n HIS 50 Cb 0.51 -4.54 -0.10 0.00 1.12 0.00 0.00 29.99 26.98 1ckl n HIS 50 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ckl s THR 51 N -3.19 2.12 0.20 1.59 -4.23 -1.25 -4.48 115.64 106.41 1ckl s THR 51 Ca 0.31 -2.19 -0.08 0.00 -1.18 0.00 0.00 61.69 58.55 1ckl s THR 51 Cb -0.13 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 1ckl s THR 51 CO 0.38 -0.22 0.49 0.26 -0.54 0.00 0.00 174.62 174.99 1ckl s TRP 52 N -2.69 3.44 0.44 3.99 0.52 -1.26 -0.86 118.94 122.52 1ckl s TRP 52 Ca 0.32 0.74 -0.23 0.00 0.02 0.00 0.00 56.10 56.95 1ckl s TRP 52 Cb 0.03 -2.16 -0.08 0.00 -1.15 0.00 0.00 33.47 30.11 1ckl s TRP 52 CO 0.16 0.32 1.12 -0.51 0.02 0.00 0.00 176.95 178.06 1ckl s LEU 53 N -2.81 4.06 0.60 2.99 1.43 -0.67 -4.89 118.68 119.40 1ckl s LEU 53 Ca 0.45 2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 55.57 1ckl s LEU 53 Cb -0.11 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 1ckl s LEU 53 CO 0.23 -0.75 1.12 -2.65 0.23 0.00 0.00 176.35 174.53 1ckl n PRO 54 N -0.32 1.09 -3.44 1.29 -0.02 -1.26 -4.72 135.00 127.62 1ckl n PRO 54 Ca 0.06 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1ckl n PRO 54 Cb 0.49 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1ckl n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ckl s VAL 55 N -1.43 0.00 0.11 -1.45 0.11 -1.26 -4.97 120.40 111.51 1ckl s VAL 55 Ca 0.77 -0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.87 1ckl s VAL 55 Cb -0.41 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 1ckl s VAL 55 CO 0.45 -0.00 -0.14 -0.94 -3.33 0.00 0.00 175.10 171.15 1ckl s SER 56 N -2.45 1.90 0.00 3.54 1.04 -1.26 -5.01 113.70 111.45 1ckl s SER 56 Ca -0.01 -0.79 0.26 0.00 0.48 0.00 0.00 55.95 55.89 1ckl s SER 56 Cb -0.01 -0.06 1.38 0.00 0.10 0.00 0.00 66.02 67.44 1ckl s SER 56 CO -0.09 -0.15 1.91 -0.90 0.98 0.00 0.00 173.24 174.99 1ckl n ASP 57 N 0.62 0.51 0.00 7.02 5.75 -1.26 -4.35 116.55 124.83 1ckl n ASP 57 Ca -0.16 -1.30 0.03 0.00 -0.01 0.00 0.00 54.79 53.35 1ckl n ASP 57 Cb 0.57 -0.01 0.17 0.00 -1.03 0.00 0.00 41.12 40.82 1ckl n ASP 57 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ckl n ASP 58 N -0.54 0.00 -0.66 -1.12 8.00 -1.26 -1.19 116.55 119.78 1ckl n ASP 58 Ca 0.19 0.22 0.13 0.00 0.71 0.00 0.00 54.79 56.04 1ckl n ASP 58 Cb 0.17 -0.31 0.37 0.00 -0.02 0.00 0.00 41.12 41.34 1ckl n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ckl n ALA 59 N -1.31 2.52 -2.68 2.24 0.00 -1.26 -4.73 120.51 115.30 1ckl n ALA 59 Ca 0.03 -0.56 -0.38 0.00 0.00 0.00 0.00 53.44 52.53 1ckl n ALA 59 Cb 0.06 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 1ckl n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckl s TYR 61 N 1.72 2.69 0.00 0.00 1.51 0.06 -4.87 117.35 118.46 1ckl s TYR 61 Ca 0.07 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.95 1ckl s TYR 61 Cb -0.16 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1ckl s TYR 61 CO 0.09 0.39 0.00 2.89 -1.11 0.00 0.00 175.55 177.82 1ckl n ARG 62 N 0.89 2.03 -3.07 -0.62 1.85 -1.26 0.79 116.66 117.26 1ckl n ARG 62 Ca -0.14 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.33 1ckl n ARG 62 Cb 0.52 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.87 1ckl n ARG 62 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1ckl s GLU 63 N 0.01 4.34 -0.12 2.89 8.01 -1.26 -4.86 118.70 127.71 1ckl s GLU 63 Ca 0.00 0.95 -0.12 0.00 0.01 0.00 0.00 54.97 55.81 1ckl s GLU 63 Cb 0.00 -3.01 -0.05 0.00 -4.31 0.00 0.00 34.13 26.77 1ckl s GLU 63 CO 0.00 0.46 0.26 0.95 0.01 0.00 0.00 175.26 176.94 1ckl s THR 64 N -1.39 5.31 0.36 3.63 -4.23 -1.26 -1.99 115.64 116.07 1ckl s THR 64 Ca 0.40 0.49 -0.15 0.00 -1.18 0.00 0.00 61.69 61.25 1ckl s THR 64 Cb -0.19 -3.58 -0.09 0.00 1.34 0.00 0.00 72.50 69.99 1ckl s THR 64 CO 0.22 0.49 0.78 0.00 -0.54 0.00 0.00 174.62 175.57 1ckl n PRO 66 N -0.58 0.51 -1.71 0.00 -0.02 -1.26 -4.92 135.00 127.03 1ckl n PRO 66 Ca 0.04 0.22 -0.37 0.00 -2.02 0.00 0.00 63.50 61.37 1ckl n PRO 66 Cb 0.53 -2.09 0.06 0.00 -0.02 0.00 0.00 33.50 31.99 1ckl n PRO 66 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1ckl n TYR 67 N -2.32 1.79 -3.87 6.00 9.36 -1.26 -5.01 117.16 121.85 1ckl n TYR 67 Ca 0.12 0.43 -0.30 0.00 3.32 0.00 0.00 57.90 61.47 1ckl n TYR 67 Cb 0.49 -2.26 -0.15 0.00 -0.63 0.00 0.00 39.34 36.79 1ckl n TYR 67 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1ckl s ILE 68 N -1.39 1.74 0.36 2.97 1.01 -1.26 -5.10 121.20 119.53 1ckl s ILE 68 Ca 0.79 -2.22 -0.24 0.00 0.00 0.00 0.00 60.65 58.98 1ckl s ILE 68 Cb -0.40 -2.27 -0.15 0.00 0.01 0.00 0.00 42.46 39.66 1ckl s ILE 68 CO 0.43 -0.70 0.44 -1.14 0.00 0.00 0.00 174.94 173.97 1ckl n ARG 69 N 4.16 0.34 -1.69 2.79 3.00 -1.26 -4.78 116.66 119.21 1ckl n ARG 69 Ca 0.03 0.12 -0.44 0.00 -0.00 0.00 0.00 57.85 57.56 1ckl n ARG 69 Cb 0.39 -1.27 -0.04 0.00 0.00 0.00 0.00 32.46 31.55 1ckl n ARG 69 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ckl n ASP 70 N 1.75 3.62 -3.89 6.15 8.00 -1.26 -4.70 116.55 126.22 1ckl n ASP 70 Ca 0.13 1.05 -0.26 0.00 0.71 0.00 0.00 54.79 56.41 1ckl n ASP 70 Cb 0.36 -1.50 0.16 0.00 -0.02 0.00 0.00 41.12 40.13 1ckl n ASP 70 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1ckl n PRO 71 N 4.35 -2.08 -1.69 -0.24 -0.02 -0.95 -4.73 135.00 129.63 1ckl n PRO 71 Ca 0.17 -0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 60.63 1ckl n PRO 71 Cb 0.33 -1.58 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 1ckl n PRO 71 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ckl n LEU 72 N -1.57 6.52 -0.91 2.45 4.77 -1.26 -4.16 117.00 122.84 1ckl n LEU 72 Ca 0.04 -4.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.02 1ckl n LEU 72 Cb 0.50 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1ckl n LEU 72 CO 0.38 0.92 0.00 -3.20 -1.33 0.00 0.00 177.39 174.16 1ckl n ASN 73 N 6.33 -1.21 0.00 -1.43 4.05 -1.26 -4.58 115.26 117.15 1ckl n ASN 73 Ca 0.52 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.55 1ckl n ASN 73 Cb 0.39 -0.60 0.00 0.00 1.23 0.00 0.00 39.78 40.80 1ckl n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ckl n GLY 74 N -0.23 3.71 3.85 8.20 0.00 -1.26 -2.28 105.19 117.18 1ckl n GLY 74 Ca 0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1ckl n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ckl s GLN 75 N -2.90 3.87 -0.47 1.61 2.00 -1.22 -2.24 119.66 120.31 1ckl s GLN 75 Ca 0.00 0.87 -0.13 0.00 -2.00 0.00 0.00 55.36 54.09 1ckl s GLN 75 Cb 0.00 -2.15 0.08 0.00 0.80 0.00 0.00 33.01 31.74 1ckl s GLN 75 CO 0.00 -0.30 0.37 0.00 -0.50 0.00 0.00 175.29 174.86 1ckl s ALA 76 N -2.70 3.49 -0.31 1.58 0.00 -1.26 -3.88 121.76 118.68 1ckl s ALA 76 Ca 0.57 -2.20 -0.12 0.00 0.00 0.00 0.00 51.96 50.21 1ckl s ALA 76 Cb -0.10 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 1ckl s ALA 76 CO 0.35 -1.76 0.21 0.54 0.00 0.00 0.00 175.76 175.11 1ckl s VAL 77 N 1.56 5.24 -0.80 0.00 0.11 -1.05 -4.90 120.40 120.55 1ckl s VAL 77 Ca 0.04 -0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 1ckl s VAL 77 Cb -0.25 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 30.97 1ckl s VAL 77 CO 0.04 0.11 1.87 -2.16 -3.33 0.00 0.00 175.10 171.63 1ckl s PRO 78 N 1.73 2.65 0.85 1.54 0.04 -1.26 -1.76 135.00 138.79 1ckl s PRO 78 Ca 0.06 -0.02 -0.10 0.00 0.04 0.00 0.00 61.00 60.98 1ckl s PRO 78 Cb -0.17 -4.82 0.11 0.00 0.04 0.00 0.00 34.50 29.66 1ckl s PRO 78 CO 0.10 -3.06 1.13 0.00 0.04 0.00 0.00 177.00 175.21 1ckl s ALA 79 N 9.33 1.80 -0.05 8.56 0.00 -1.14 -1.06 121.76 139.21 1ckl s ALA 79 Ca 0.67 0.47 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1ckl s ALA 79 Cb -0.08 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1ckl s ALA 79 CO 0.07 -2.34 0.00 0.09 0.00 0.00 0.00 175.76 173.57 1ckl n ASN 80 N -3.92 -4.97 -2.91 0.00 4.13 -1.26 -4.16 115.26 102.17 1ckl n ASN 80 Ca 0.11 0.01 -0.19 0.00 1.68 0.00 0.00 54.58 56.19 1ckl n ASN 80 Cb 0.52 -2.51 -0.04 0.00 -1.54 0.00 0.00 39.78 36.22 1ckl n ASN 80 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ckl n GLY 81 N -0.39 -0.25 3.31 7.41 0.00 -0.23 -4.87 105.19 110.18 1ckl n GLY 81 Ca -0.00 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ckl n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ckl s THR 82 N -2.05 0.06 -0.26 2.61 -1.32 -1.26 -5.02 115.64 108.40 1ckl s THR 82 Ca 0.38 -0.48 0.13 0.00 -1.21 0.00 0.00 61.69 60.50 1ckl s THR 82 Cb -0.22 -0.93 0.64 0.00 -1.51 0.00 0.00 72.50 70.48 1ckl s THR 82 CO 0.46 -0.27 1.61 -1.22 -2.21 0.00 0.00 174.62 173.00 1ckl n TYR 83 N 0.57 1.67 -2.72 9.09 4.02 -1.26 -4.76 117.16 123.77 1ckl n TYR 83 Ca -0.19 -1.11 -0.30 0.00 -0.01 0.00 0.00 57.90 56.29 1ckl n TYR 83 Cb 0.59 -0.51 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 1ckl n TYR 83 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1ckl s GLU 84 N -2.96 3.78 0.38 -0.72 2.02 -1.26 -0.90 118.70 119.04 1ckl s GLU 84 Ca 0.49 0.54 -0.26 0.00 0.02 0.00 0.00 54.97 55.76 1ckl s GLU 84 Cb 0.40 -2.33 -0.09 0.00 0.10 0.00 0.00 34.13 32.21 1ckl s GLU 84 CO 0.10 -0.11 1.17 -0.59 0.02 0.00 0.00 175.26 175.85 1ckl s PHE 85 N -2.47 3.14 0.00 1.61 -0.12 -0.84 -3.17 117.98 116.13 1ckl s PHE 85 Ca 0.52 1.56 0.00 0.00 -0.05 0.00 0.00 56.93 58.97 1ckl s PHE 85 Cb -0.10 -3.39 0.00 0.00 -0.63 0.00 0.00 43.02 38.89 1ckl s PHE 85 CO 0.33 -1.24 0.00 0.41 -0.05 0.00 0.00 175.22 174.68 1ckl n GLY 86 N 0.70 0.73 3.62 1.99 0.00 -0.92 -4.92 105.19 106.38 1ckl n GLY 86 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1ckl n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckl s TYR 87 N -2.00 1.99 0.11 1.61 2.02 -1.19 -4.96 117.35 114.93 1ckl s TYR 87 Ca 0.00 -0.98 0.02 0.00 -0.37 0.00 0.00 57.07 55.73 1ckl s TYR 87 Cb 0.00 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.05 1ckl s TYR 87 CO 0.00 0.10 -0.06 1.14 -1.57 0.00 0.00 175.55 175.16 1ckl s GLN 88 N -3.80 0.87 -0.13 -0.62 -2.07 -1.26 -1.58 119.66 111.06 1ckl s GLN 88 Ca 0.21 -1.36 -0.04 0.00 -1.82 0.00 0.00 55.36 52.36 1ckl s GLN 88 Cb 0.05 -0.21 -0.03 0.00 -1.09 0.00 0.00 33.01 31.72 1ckl s GLN 88 CO 0.11 -0.03 0.02 1.41 -1.32 0.00 0.00 175.29 175.48 1ckl s MET 89 N -3.84 3.41 -0.12 9.60 -2.45 0.02 -2.86 119.30 123.05 1ckl s MET 89 Ca 0.13 -0.39 -0.06 0.00 -1.25 0.00 0.00 55.69 54.12 1ckl s MET 89 Cb 0.05 -2.96 0.05 0.00 1.25 0.00 0.00 34.83 33.23 1ckl s MET 89 CO -0.04 0.51 0.28 -3.38 1.05 0.00 0.00 175.02 173.45 1ckl s HIS 90 N -0.34 -0.39 0.55 4.11 -0.00 -0.72 -0.97 115.29 117.52 1ckl s HIS 90 Ca 0.07 0.89 0.04 0.00 -0.00 0.00 0.00 55.06 56.06 1ckl s HIS 90 Cb -0.12 0.09 0.05 0.00 -0.00 0.00 0.00 32.58 32.60 1ckl s HIS 90 CO 0.02 -0.26 0.76 -0.06 -0.00 0.00 0.00 174.74 175.20 1ckl s PHE 91 N 1.29 2.51 -0.20 0.38 0.40 -0.71 -2.53 117.98 119.12 1ckl s PHE 91 Ca -0.09 -0.22 -0.22 0.00 -0.60 0.00 0.00 56.93 55.79 1ckl s PHE 91 Cb -0.10 -2.64 0.06 0.00 0.51 0.00 0.00 43.02 40.85 1ckl s PHE 91 CO -0.09 -0.92 0.61 0.42 0.70 0.00 0.00 175.22 175.94 1ckl s ILE 92 N -2.71 0.00 -0.12 0.64 -1.09 -1.25 -4.96 121.20 111.72 1ckl s ILE 92 Ca 0.59 -0.02 -0.07 0.00 -2.23 0.00 0.00 60.65 58.91 1ckl s ILE 92 Cb -0.09 -0.87 -0.04 0.00 -1.58 0.00 0.00 42.46 39.88 1ckl s ILE 92 CO 0.38 -0.01 0.14 0.00 -1.23 0.00 0.00 174.94 174.22 1ckl s ASN 94 N -1.03 6.59 -0.15 0.00 0.01 -0.97 -3.80 114.94 115.60 1ckl s ASN 94 Ca 0.15 0.70 -0.01 0.00 -0.71 0.00 0.00 52.86 52.99 1ckl s ASN 94 Cb -0.12 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 1ckl s ASN 94 CO 0.04 0.02 0.13 -0.62 -1.51 0.00 0.00 177.10 175.16 1ckl n GLU 95 N 3.73 -0.33 -2.20 -0.60 -0.58 -1.26 -4.68 120.64 114.71 1ckl n GLU 95 Ca -0.08 0.12 -0.07 0.00 -0.42 0.00 0.00 57.16 56.71 1ckl n GLU 95 Cb 0.52 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.25 1ckl n GLU 95 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ckl n GLY 96 N -1.45 -0.13 3.35 0.62 0.00 -1.25 -4.91 105.19 101.42 1ckl n GLY 96 Ca -0.01 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1ckl n GLY 96 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ckl n TYR 97 N -0.53 0.57 -1.42 1.61 0.18 -1.26 -4.35 117.16 111.96 1ckl n TYR 97 Ca -0.05 -2.23 -0.33 0.00 1.88 0.00 0.00 57.90 57.18 1ckl n TYR 97 Cb 0.15 -0.33 0.09 0.00 -0.38 0.00 0.00 39.34 38.86 1ckl n TYR 97 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1ckl s TYR 98 N -2.61 2.32 -0.11 -3.48 2.02 0.10 -4.79 117.35 110.80 1ckl s TYR 98 Ca 0.08 1.60 -0.00 0.00 -0.37 0.00 0.00 57.07 58.38 1ckl s TYR 98 Cb -0.01 -3.25 0.02 0.00 -0.40 0.00 0.00 41.96 38.33 1ckl s TYR 98 CO 0.05 -2.11 -0.08 -0.51 -1.57 0.00 0.00 175.55 171.33 1ckl s LEU 99 N -5.41 1.21 -0.47 -1.29 1.43 -1.26 -2.41 118.68 110.48 1ckl s LEU 99 Ca 0.68 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1ckl s LEU 99 Cb -0.22 -0.85 0.12 0.00 0.03 0.00 0.00 46.19 45.27 1ckl s LEU 99 CO 0.48 -0.11 0.20 -0.51 0.23 0.00 0.00 176.35 176.64 1ckl s ILE 100 N 1.65 2.41 0.00 -0.59 2.07 -1.20 -4.83 121.20 120.71 1ckl s ILE 100 Ca 0.04 -3.00 0.00 0.00 -1.41 0.00 0.00 60.65 56.28 1ckl s ILE 100 Cb -0.13 -2.70 0.00 0.00 0.13 0.00 0.00 42.46 39.76 1ckl s ILE 100 CO -0.08 -0.75 0.00 0.61 -1.91 0.00 0.00 174.94 172.81 1ckl n GLY 101 N 3.45 -1.26 0.00 1.50 0.00 -1.26 -2.21 105.19 105.41 1ckl n GLY 101 Ca 0.05 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1ckl n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ckl n GLU 102 N 0.00 -2.93 -0.10 1.61 1.02 -1.26 -4.99 120.64 113.98 1ckl n GLU 102 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1ckl n GLU 102 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1ckl n GLU 102 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ckl n GLU 103 N -0.19 0.67 -4.26 3.49 2.13 -1.26 -4.83 120.64 116.39 1ckl n GLU 103 Ca 0.00 0.16 -0.26 0.00 0.66 0.00 0.00 57.16 57.72 1ckl n GLU 103 Cb 0.00 -1.56 -0.08 0.00 0.27 0.00 0.00 31.44 30.07 1ckl n GLU 103 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ckl s ILE 104 N -2.53 3.42 -0.02 6.31 1.01 -1.26 -1.73 121.20 126.40 1ckl s ILE 104 Ca -0.31 -1.60 -0.01 0.00 0.00 0.00 0.00 60.65 58.73 1ckl s ILE 104 Cb 0.08 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.84 1ckl s ILE 104 CO 0.65 -0.14 0.05 -0.76 0.00 0.00 0.00 174.94 174.73 1ckl s LEU 105 N -2.97 1.67 0.09 2.97 1.43 -0.14 -4.96 118.68 116.77 1ckl s LEU 105 Ca 0.27 0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.52 1ckl s LEU 105 Cb -0.09 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.22 1ckl s LEU 105 CO 0.17 -0.04 -0.10 -0.31 0.23 0.00 0.00 176.35 176.30 1ckl s TYR 106 N 0.23 2.75 -0.37 0.29 1.51 -1.26 -0.80 117.35 119.69 1ckl s TYR 106 Ca -0.02 -0.15 -0.17 0.00 -1.01 0.00 0.00 57.07 55.72 1ckl s TYR 106 Cb -0.03 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1ckl s TYR 106 CO -0.01 0.41 0.44 0.00 -1.11 0.00 0.00 175.55 175.28 1ckl s GLU 108 N 2.21 2.84 -0.16 0.00 0.41 0.06 -2.17 118.70 121.88 1ckl s GLU 108 Ca 0.14 -1.24 0.01 0.00 -0.41 0.00 0.00 54.97 53.47 1ckl s GLU 108 Cb -0.16 -2.70 0.02 0.00 -1.78 0.00 0.00 34.13 29.51 1ckl s GLU 108 CO 0.13 -0.17 -0.18 -1.17 -0.49 0.00 0.00 175.26 173.38 1ckl s LEU 109 N -4.26 1.96 -0.24 1.80 2.96 -1.26 -2.29 118.68 117.35 1ckl s LEU 109 Ca 0.51 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1ckl s LEU 109 Cb -0.09 -1.35 0.07 0.00 0.50 0.00 0.00 46.19 45.32 1ckl s LEU 109 CO 0.31 -0.00 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.79 1ckl s LYS 110 N 1.23 1.28 3.57 1.98 -0.14 -0.54 -5.01 119.74 122.11 1ckl s LYS 110 Ca 0.02 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 53.71 1ckl s LYS 110 Cb -0.14 -2.44 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 1ckl s LYS 110 CO -0.09 -0.67 0.00 0.41 -0.76 0.00 0.00 175.35 174.24 1ckl n GLY 111 N 4.76 0.72 0.13 -3.33 0.00 -1.26 -1.73 105.19 104.47 1ckl n GLY 111 Ca -0.09 0.48 0.02 0.00 0.00 0.00 0.00 46.02 46.43 1ckl n GLY 111 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ckl n SER 112 N 6.89 1.11 -4.05 1.61 3.41 -1.26 -5.05 113.62 116.28 1ckl n SER 112 Ca 0.00 -2.01 -0.14 0.00 -0.26 0.00 0.00 58.87 56.46 1ckl n SER 112 Cb 0.00 -0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 1ckl n SER 112 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1ckl s VAL 113 N -0.97 0.57 -0.26 -3.33 -7.23 -0.71 -5.09 120.40 103.39 1ckl s VAL 113 Ca 0.08 -0.90 -0.09 0.00 -1.81 0.00 0.00 61.98 59.26 1ckl s VAL 113 Cb 0.07 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 1ckl s VAL 113 CO 0.01 -0.24 0.14 0.00 -0.31 0.00 0.00 175.10 174.69 1ckl s ALA 114 N -1.07 3.39 0.06 1.32 0.00 -1.26 -1.47 121.76 122.73 1ckl s ALA 114 Ca -0.06 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.87 1ckl s ALA 114 Cb -0.08 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 1ckl s ALA 114 CO 0.00 -0.48 -0.15 0.42 0.00 0.00 0.00 175.76 175.56 1ckl s ILE 115 N 1.62 1.16 0.57 0.00 1.01 -0.97 -4.01 121.20 120.57 1ckl s ILE 115 Ca 0.07 -1.17 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 1ckl s ILE 115 Cb -0.15 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 1ckl s ILE 115 CO 0.07 -0.10 0.98 0.26 0.00 0.00 0.00 174.94 176.15 1ckl s TRP 116 N -1.06 3.58 -0.90 3.97 0.52 -1.25 -0.76 118.94 123.03 1ckl s TRP 116 Ca 0.00 1.24 -0.10 0.00 0.02 0.00 0.00 56.10 57.27 1ckl s TRP 116 Cb -0.09 -2.66 0.23 0.00 -1.15 0.00 0.00 33.47 29.80 1ckl s TRP 116 CO 0.02 -0.55 0.84 -1.54 0.02 0.00 0.00 176.95 175.74 1ckl s SER 117 N -3.93 6.69 0.00 2.95 1.04 -0.88 -4.88 113.70 114.69 1ckl s SER 117 Ca 0.54 -3.10 0.00 0.00 0.48 0.00 0.00 55.95 53.87 1ckl s SER 117 Cb -0.11 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1ckl s SER 117 CO 0.48 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1ckl n GLY 118 N 3.34 1.72 3.73 7.32 0.00 -1.26 -4.66 105.19 115.38 1ckl n GLY 118 Ca 0.17 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 1ckl n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckl s LYS 119 N -1.33 2.13 -0.83 1.61 1.02 -1.26 -5.06 119.74 116.02 1ckl s LYS 119 Ca 0.00 -2.31 -0.22 0.00 0.02 0.00 0.00 55.97 53.46 1ckl s LYS 119 Cb 0.00 -1.58 -0.20 0.00 -0.52 0.00 0.00 37.83 35.53 1ckl s LYS 119 CO 0.00 -0.28 2.40 -2.30 -0.92 0.00 0.00 175.35 174.26 1ckl n PRO 120 N -1.19 0.38 -1.82 -1.68 -0.02 -1.26 -4.87 135.00 124.53 1ckl n PRO 120 Ca -0.15 -0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 60.68 1ckl n PRO 120 Cb 0.67 -2.38 -0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1ckl n PRO 120 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ckl s PRO 121 N 8.26 4.13 0.00 0.52 0.02 -1.26 -4.93 135.00 141.74 1ckl s PRO 121 Ca 1.15 2.55 -0.00 0.00 0.02 0.00 0.00 61.00 64.72 1ckl s PRO 121 Cb -0.60 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 30.90 1ckl s PRO 121 CO 0.35 -0.53 0.09 0.42 -0.33 0.00 0.00 177.00 177.01 1ckl s ILE 122 N -0.96 4.78 -0.79 2.83 1.01 -0.94 -4.89 121.20 122.23 1ckl s ILE 122 Ca 0.54 -0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.55 1ckl s ILE 122 Cb -0.46 -3.20 0.08 0.00 0.01 0.00 0.00 42.46 38.89 1ckl s ILE 122 CO 0.60 0.33 1.13 0.00 0.00 0.00 0.00 174.94 177.00 1ckl s GLU 124 N 4.12 2.72 0.10 0.00 2.56 -1.01 -4.83 118.70 122.35 1ckl s GLU 124 Ca 0.30 -1.06 -0.28 0.00 0.00 0.00 0.00 54.97 53.94 1ckl s GLU 124 Cb -0.10 -3.07 -0.15 0.00 2.00 0.00 0.00 34.13 32.81 1ckl s GLU 124 CO 0.03 -0.47 0.63 0.36 -0.56 0.00 0.00 175.26 175.25 1ckl n LYS 125 N 4.67 0.00 0.00 4.30 2.85 -1.26 -0.73 118.16 127.99 1ckl n LYS 125 Ca -0.15 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.24 1ckl n LYS 125 Cb 0.46 -1.02 0.43 0.00 -0.65 0.00 0.00 35.03 34.26 1ckl n LYS 125 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63