#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 3.83 -2.33 0.00 1.02 -1.26 -1.22 120.64 120.69 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 3.94 4.42 0.79 3.49 8.01 -1.26 -4.53 118.70 133.56 1ckl s GLU 3 Ca 0.00 1.90 -0.14 0.00 0.01 0.00 0.00 54.97 56.75 1ckl s GLU 3 Cb 0.00 -3.28 0.07 0.00 -4.31 0.00 0.00 34.13 26.62 1ckl s GLU 3 CO 0.00 -0.25 1.21 -1.25 0.01 0.00 0.00 175.26 174.98 1ckl s PRO 4 N 0.57 1.74 1.10 0.39 0.04 -1.26 -4.98 135.00 132.60 1ckl s PRO 4 Ca 0.58 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1ckl s PRO 4 Cb -0.33 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.52 1ckl s PRO 4 CO 0.33 -2.14 0.01 -2.30 0.04 0.00 0.00 177.00 172.94 1ckl n PRO 5 N -3.19 -1.46 -5.17 0.56 -0.02 -1.26 -5.03 135.00 119.43 1ckl n PRO 5 Ca 0.13 -0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 60.90 1ckl n PRO 5 Cb 0.50 -1.70 -0.16 0.00 -0.02 0.00 0.00 33.50 32.13 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 2.07 0.22 3.45 -4.23 -1.26 -4.90 115.64 108.75 1ckl s THR 6 Ca 0.56 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.94 1ckl s THR 6 Cb -0.12 -1.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 1ckl s THR 6 CO 0.66 0.51 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.78 1ckl s PHE 7 N -0.67 1.75 0.08 3.99 0.08 -1.24 -5.04 117.98 116.92 1ckl s PHE 7 Ca 0.11 -0.63 0.10 0.00 0.12 0.00 0.00 56.93 56.62 1ckl s PHE 7 Cb -0.10 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.42 1ckl s PHE 7 CO 0.00 0.30 1.37 1.49 -0.10 0.00 0.00 175.22 178.28 1ckl h GLU 8 N 2.49 0.00 0.00 0.44 4.81 -2.01 -3.37 114.58 116.95 1ckl h GLU 8 Ca -0.38 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.74 1ckl h GLU 8 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1ckl h GLU 8 CO 0.64 0.82 -1.80 0.00 -0.73 0.00 0.00 179.01 177.93 1ckl n ALA 9 N -2.33 2.18 -2.64 2.92 0.00 -1.26 -4.93 120.51 114.46 1ckl n ALA 9 Ca 0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.52 1ckl n ALA 9 Cb 0.84 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.75 2.69 -0.08 0.00 -1.94 -1.26 -0.37 119.30 115.59 1ckl s MET 10 Ca -0.06 -0.65 0.05 0.00 -1.71 0.00 0.00 55.69 53.32 1ckl s MET 10 Cb 0.07 -2.60 -0.00 0.00 2.01 0.00 0.00 34.83 34.31 1ckl s MET 10 CO 0.61 0.62 -0.23 -1.21 -0.01 0.00 0.00 175.02 174.80 1ckl s GLU 11 N -1.42 2.67 0.65 2.03 2.02 -0.00 -3.70 118.70 120.96 1ckl s GLU 11 Ca 0.18 -0.83 -0.18 0.00 0.02 0.00 0.00 54.97 54.16 1ckl s GLU 11 Cb -0.11 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 1ckl s GLU 11 CO 0.08 0.24 1.27 -1.17 0.02 0.00 0.00 175.26 175.70 1ckl s LEU 12 N 0.18 3.55 -0.11 1.80 2.96 -1.26 -0.33 118.68 125.47 1ckl s LEU 12 Ca -0.12 2.57 -0.10 0.00 -0.22 0.00 0.00 54.13 56.25 1ckl s LEU 12 Cb -0.16 -4.61 -0.05 0.00 0.50 0.00 0.00 46.19 41.87 1ckl s LEU 12 CO 0.06 -2.00 0.23 -0.63 -1.32 0.00 0.00 176.35 172.69 1ckl s ILE 13 N -1.49 5.35 0.02 6.68 1.01 0.20 -4.73 121.20 128.23 1ckl s ILE 13 Ca 0.81 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1ckl s ILE 13 Cb -0.36 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1ckl s ILE 13 CO 0.40 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.50 1ckl n GLY 14 N 2.36 -2.54 3.79 6.18 0.00 -1.26 -4.74 105.19 108.97 1ckl n GLY 14 Ca -0.17 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.89 4.47 0.26 1.61 1.02 -1.26 -5.02 119.74 117.93 1ckl s LYS 15 Ca 0.00 1.07 -0.31 0.00 0.02 0.00 0.00 55.97 56.76 1ckl s LYS 15 Cb 0.00 -3.16 -0.13 0.00 -0.52 0.00 0.00 37.83 34.02 1ckl s LYS 15 CO 0.00 0.53 1.38 -2.30 -0.92 0.00 0.00 175.35 174.04 1ckl n PRO 16 N 1.37 2.03 -3.80 -1.68 -0.02 -1.26 -5.03 135.00 126.62 1ckl n PRO 16 Ca -0.05 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 61.95 1ckl n PRO 16 Cb 0.49 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 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 -0.67 3.23 0.06 -0.52 1.02 -1.26 -5.04 119.74 116.57 1ckl s LYS 17 Ca 0.66 -0.91 -0.06 0.00 0.02 0.00 0.00 55.97 55.68 1ckl s LYS 17 Cb -0.64 -2.81 -0.29 0.00 -0.52 0.00 0.00 37.83 33.57 1ckl s LYS 17 CO 0.52 0.28 1.10 -1.00 -0.92 0.00 0.00 175.35 175.32 1ckl h PRO 18 N 1.11 0.31 -4.48 -1.68 0.13 -1.94 -3.37 132.00 122.08 1ckl h PRO 18 Ca -0.49 -0.53 -0.37 0.00 -0.87 0.00 0.00 66.00 63.74 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 0.58 1.25 -0.77 -0.47 -0.23 0.00 0.00 178.00 178.36 1ckl s TYR 19 N -2.64 0.68 -0.02 1.56 5.04 -1.26 -4.22 117.35 116.48 1ckl s TYR 19 Ca -0.05 -0.14 0.06 0.00 -2.44 0.00 0.00 57.07 54.50 1ckl s TYR 19 Cb 0.07 -0.46 -0.01 0.00 0.35 0.00 0.00 41.96 41.90 1ckl s TYR 19 CO 0.89 -0.04 -0.20 0.71 -1.34 0.00 0.00 175.55 175.58 1ckl s TYR 20 N -0.03 1.79 0.74 4.97 2.02 -0.35 -5.00 117.35 121.49 1ckl s TYR 20 Ca 0.01 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.24 1ckl s TYR 20 Cb -0.04 -1.15 0.04 0.00 -0.40 0.00 0.00 41.96 40.40 1ckl s TYR 20 CO -0.00 -0.04 1.09 -1.21 -1.57 0.00 0.00 175.55 173.82 1ckl s GLU 21 N -0.44 2.53 0.09 -0.62 0.41 -1.26 -2.49 118.70 116.93 1ckl s GLU 21 Ca 0.07 0.58 -0.31 0.00 -0.41 0.00 0.00 54.97 54.90 1ckl s GLU 21 Cb -0.08 -1.97 -0.07 0.00 -1.78 0.00 0.00 34.13 30.23 1ckl s GLU 21 CO -0.01 -1.29 1.23 0.42 -0.49 0.00 0.00 175.26 175.13 1ckl s ILE 22 N -3.24 3.81 0.00 -1.63 1.01 -1.26 -2.32 121.20 117.57 1ckl s ILE 22 Ca 0.59 1.34 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1ckl s ILE 22 Cb -0.13 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1ckl s ILE 22 CO 0.53 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1ckl n GLY 23 N 3.08 0.67 3.75 6.18 0.00 -0.35 -4.95 105.19 113.56 1ckl n GLY 23 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 4.83 -0.12 1.61 2.02 -0.98 -4.77 118.70 120.62 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 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 1ckl s GLU 24 CO 0.00 0.47 -0.18 0.50 0.02 0.00 0.00 175.26 176.07 1ckl s ARG 25 N -1.15 3.22 -0.03 1.61 3.52 -1.26 -1.99 118.95 122.87 1ckl s ARG 25 Ca 0.42 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1ckl s ARG 25 Cb -0.27 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 1ckl s ARG 25 CO 0.33 0.20 -0.08 0.14 -0.81 0.00 0.00 175.30 175.08 1ckl s VAL 26 N 0.34 3.59 0.03 7.11 -7.23 0.02 -4.97 120.40 119.29 1ckl s VAL 26 Ca -0.15 -0.68 0.09 0.00 -1.81 0.00 0.00 61.98 59.43 1ckl s VAL 26 Cb -0.17 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1ckl s VAL 26 CO 0.07 0.48 -0.26 -1.81 -0.31 0.00 0.00 175.10 173.28 1ckl s ASP 27 N -1.14 3.10 0.47 4.85 1.11 -1.26 -1.38 116.67 122.42 1ckl s ASP 27 Ca 0.15 -0.56 0.06 0.00 0.18 0.00 0.00 52.55 52.37 1ckl s ASP 27 Cb -0.11 -0.29 -0.02 0.00 1.07 0.00 0.00 42.92 43.57 1ckl s ASP 27 CO 0.05 0.27 0.21 -0.31 1.18 0.00 0.00 175.17 176.56 1ckl s TYR 28 N -0.76 2.19 0.15 4.23 1.51 -1.06 -0.63 117.35 122.98 1ckl s TYR 28 Ca 0.11 -0.73 0.02 0.00 -1.01 0.00 0.00 57.07 55.46 1ckl s TYR 28 Cb -0.10 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1ckl s TYR 28 CO 0.01 0.01 -0.02 -1.59 -1.11 0.00 0.00 175.55 172.85 1ckl s LYS 29 N -4.01 1.03 -0.14 -0.62 -2.85 0.56 -4.81 119.74 108.91 1ckl s LYS 29 Ca 0.32 -1.47 -0.23 0.00 -1.00 0.00 0.00 55.97 53.59 1ckl s LYS 29 Cb 0.02 -0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 35.50 1ckl s LYS 29 CO 0.18 -0.09 0.73 0.00 0.10 0.00 0.00 175.35 176.28 1ckl n LYS 31 N 4.61 0.45 0.00 0.00 5.02 0.50 -4.82 118.16 123.92 1ckl n LYS 31 Ca 0.01 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1ckl n LYS 31 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1ckl n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ckl n LYS 32 N -2.59 0.00 0.00 1.97 3.00 -1.26 -0.69 118.16 118.60 1ckl n LYS 32 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1ckl n LYS 32 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1ckl n LYS 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ckl n GLY 33 N -0.73 1.44 3.51 3.14 0.00 -1.26 -4.77 105.19 106.52 1ckl n GLY 33 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.97 2.67 -0.05 1.61 1.51 0.14 -4.57 117.35 117.69 1ckl s TYR 34 Ca 0.00 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1ckl s TYR 34 Cb 0.00 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.33 1ckl s TYR 34 CO 0.00 0.32 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.64 1ckl s PHE 35 N -1.00 2.95 -0.28 2.71 0.40 0.39 -4.66 117.98 118.48 1ckl s PHE 35 Ca 0.17 0.02 -0.24 0.00 -0.60 0.00 0.00 56.93 56.28 1ckl s PHE 35 Cb -0.11 -1.69 -0.00 0.00 0.51 0.00 0.00 43.02 41.74 1ckl s PHE 35 CO 0.07 0.36 0.81 -0.47 0.70 0.00 0.00 175.22 176.69 1ckl s TYR 36 N -0.88 3.24 -0.20 0.36 5.04 -1.26 -0.46 117.35 123.18 1ckl s TYR 36 Ca 0.14 0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 55.68 1ckl s TYR 36 Cb -0.11 -3.16 -0.00 0.00 0.35 0.00 0.00 41.96 39.03 1ckl s TYR 36 CO 0.04 -0.51 -0.08 0.42 -1.34 0.00 0.00 175.55 174.08 1ckl s ILE 37 N 2.92 3.10 0.77 3.14 -1.09 -0.57 -4.98 121.20 124.50 1ckl s ILE 37 Ca 0.33 -0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 58.04 1ckl s ILE 37 Cb -0.14 -2.39 0.06 0.00 -1.58 0.00 0.00 42.46 38.41 1ckl s ILE 37 CO 0.11 0.46 1.13 -2.16 -1.23 0.00 0.00 174.94 173.24 1ckl s PRO 38 N 1.32 2.09 0.00 2.79 0.04 -1.26 -4.44 135.00 135.54 1ckl s PRO 38 Ca 0.04 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.51 1ckl s PRO 38 Cb -0.14 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1ckl s PRO 38 CO -0.04 -1.81 0.37 -0.35 0.04 0.00 0.00 177.00 175.21 1ckl n PRO 39 N -3.26 1.52 -0.92 0.56 -0.04 -1.26 -5.11 135.00 126.50 1ckl n PRO 39 Ca 0.11 -0.38 -0.34 0.00 -0.04 0.00 0.00 63.50 62.85 1ckl n PRO 39 Cb 0.52 -0.86 -0.04 0.00 -0.04 0.00 0.00 33.50 33.08 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 -0.29 -0.37 -4.62 1.53 4.77 -1.26 -4.78 117.00 111.97 1ckl n LEU 40 Ca 0.00 0.72 -0.50 0.00 -0.03 0.00 0.00 56.01 56.20 1ckl n LEU 40 Cb 0.02 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 1ckl n LEU 40 CO 0.01 -1.52 1.57 0.00 -1.33 0.00 0.00 177.39 176.11 1ckl n ALA 41 N 0.50 0.79 -2.76 -1.18 0.00 -1.26 -4.90 120.51 111.70 1ckl n ALA 41 Ca 0.12 0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.47 1ckl n ALA 41 Cb 0.10 -2.49 -0.02 0.00 0.00 0.00 0.00 19.45 17.04 1ckl n ALA 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ckl n THR 42 N 5.75 2.81 -3.82 0.00 -2.24 -1.26 -4.49 114.28 111.03 1ckl n THR 42 Ca 0.29 -5.34 -0.07 0.00 -2.27 0.00 0.00 64.05 56.65 1ckl n THR 42 Cb 0.26 -1.35 0.01 0.00 -2.10 0.00 0.00 70.33 67.15 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 -3.50 0.04 0.09 4.78 -3.43 -1.26 -2.55 115.29 109.45 1ckl s HIS 43 Ca 0.49 -0.61 -0.26 0.00 -0.80 0.00 0.00 55.06 53.87 1ckl s HIS 43 Cb 0.33 0.79 0.08 0.00 -1.43 0.00 0.00 32.58 32.34 1ckl s HIS 43 CO -0.16 -1.38 0.77 -0.08 -2.00 0.00 0.00 174.74 171.90 1ckl s THR 44 N -2.67 0.00 0.42 -5.38 -1.32 -0.48 -4.83 115.64 101.38 1ckl s THR 44 Ca 0.15 -0.12 0.04 0.00 -1.21 0.00 0.00 61.69 60.55 1ckl s THR 44 Cb -0.05 -1.15 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 1ckl s THR 44 CO 0.09 0.00 0.05 -0.63 -2.21 0.00 0.00 174.62 171.92 1ckl s ILE 45 N -3.43 1.25 -0.24 5.08 1.01 -1.26 -0.80 121.20 122.81 1ckl s ILE 45 Ca 0.04 -2.00 -0.07 0.00 0.00 0.00 0.00 60.65 58.62 1ckl s ILE 45 Cb -0.01 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1ckl s ILE 45 CO -0.09 0.00 0.07 0.00 0.00 0.00 0.00 174.94 174.93 1ckl s ASP 47 N 1.52 4.50 0.62 0.00 -4.77 -0.51 -1.22 116.67 116.81 1ckl s ASP 47 Ca 0.06 -0.41 0.20 0.00 -3.30 0.00 0.00 52.55 49.10 1ckl s ASP 47 Cb -0.15 -0.03 0.79 0.00 -1.09 0.00 0.00 42.92 42.45 1ckl s ASP 47 CO 0.04 -1.75 1.33 0.03 0.70 0.00 0.00 175.17 175.52 1ckl h ARG 48 N -0.40 0.00 -0.57 2.11 3.08 -1.99 0.61 114.38 117.22 1ckl h ARG 48 Ca -0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1ckl h ARG 48 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1ckl h ARG 48 CO 0.41 0.00 0.02 -1.71 -1.07 0.00 0.00 179.97 177.62 1ckl n ASN 49 N -3.08 5.60 -3.24 7.04 5.15 -1.26 -4.97 115.26 120.49 1ckl n ASN 49 Ca 0.14 -2.97 -0.17 0.00 -0.60 0.00 0.00 54.58 50.99 1ckl n ASN 49 Cb 1.22 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 39.76 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 0.50 -1.69 -4.49 1.20 8.25 0.21 -4.93 115.22 114.27 1ckl n HIS 50 Ca 0.28 0.27 -0.24 0.00 -0.26 0.00 0.00 57.72 57.78 1ckl n HIS 50 Cb 1.20 -1.54 -0.10 0.00 1.12 0.00 0.00 29.99 30.67 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 -2.52 1.97 0.21 1.59 -4.23 -1.26 -4.01 115.64 107.39 1ckl s THR 51 Ca 0.31 -2.17 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 1ckl s THR 51 Cb -0.18 -2.55 -0.07 0.00 1.34 0.00 0.00 72.50 71.04 1ckl s THR 51 CO 0.38 -0.25 0.50 0.26 -0.54 0.00 0.00 174.62 174.97 1ckl s TRP 52 N -2.79 3.44 0.42 3.99 0.52 -1.26 -1.43 118.94 121.82 1ckl s TRP 52 Ca 0.31 0.79 -0.24 0.00 0.02 0.00 0.00 56.10 56.97 1ckl s TRP 52 Cb 0.03 -2.19 -0.08 0.00 -1.15 0.00 0.00 33.47 30.08 1ckl s TRP 52 CO 0.14 0.32 1.13 -0.51 0.02 0.00 0.00 176.95 178.05 1ckl s LEU 53 N -2.77 4.12 0.60 2.99 1.43 -0.99 -4.91 118.68 119.15 1ckl s LEU 53 Ca 0.46 2.25 -0.19 0.00 -1.03 0.00 0.00 54.13 55.61 1ckl s LEU 53 Cb -0.11 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1ckl s LEU 53 CO 0.22 -0.70 1.07 -2.65 0.23 0.00 0.00 176.35 174.52 1ckl n PRO 54 N -0.13 1.03 -3.46 1.29 -0.02 -1.26 -4.79 135.00 127.66 1ckl n PRO 54 Ca 0.05 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.79 1ckl n PRO 54 Cb 0.48 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.46 0.00 0.03 -1.45 0.11 -1.26 -4.98 120.40 111.39 1ckl s VAL 55 Ca 0.76 -0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.85 1ckl s VAL 55 Cb -0.41 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1ckl s VAL 55 CO 0.46 -0.00 -0.11 -0.94 -3.33 0.00 0.00 175.10 171.18 1ckl s SER 56 N -2.18 1.28 0.14 3.54 1.04 -1.26 -4.99 113.70 111.26 1ckl s SER 56 Ca -0.03 -0.42 0.16 0.00 0.48 0.00 0.00 55.95 56.13 1ckl s SER 56 Cb -0.01 -0.06 0.71 0.00 0.10 0.00 0.00 66.02 66.76 1ckl s SER 56 CO -0.05 -0.02 1.48 -0.90 0.98 0.00 0.00 173.24 174.73 1ckl n ASP 57 N 1.97 0.31 -0.20 7.02 5.68 -1.26 -4.03 116.55 126.04 1ckl n ASP 57 Ca -0.18 0.60 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 1ckl n ASP 57 Cb 0.55 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1ckl n ASP 57 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ckl n ASP 58 N -1.86 0.00 -0.36 -1.12 9.92 -1.26 -2.44 116.55 119.43 1ckl n ASP 58 Ca 0.01 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.34 1ckl n ASP 58 Cb 0.13 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.62 1ckl n ASP 58 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ckl n ALA 59 N -0.09 2.95 -3.20 2.24 0.00 -1.26 -4.89 120.51 116.26 1ckl n ALA 59 Ca 0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 1ckl n ALA 59 Cb 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 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 1.46 3.51 0.00 0.00 1.51 0.39 -4.71 117.35 119.50 1ckl s TYR 61 Ca 0.03 0.79 0.00 0.00 -1.01 0.00 0.00 57.07 56.88 1ckl s TYR 61 Cb -0.23 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.23 1ckl s TYR 61 CO 0.03 -0.39 0.00 2.89 -1.11 0.00 0.00 175.55 176.97 1ckl n ARG 62 N -2.33 2.67 -2.65 -0.62 1.85 -1.26 0.15 116.66 114.46 1ckl n ARG 62 Ca 0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.51 1ckl n ARG 62 Cb 0.56 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.91 1ckl n ARG 62 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1ckl s GLU 63 N 4.98 4.19 -0.11 2.89 2.56 -1.26 -4.81 118.70 127.14 1ckl s GLU 63 Ca 0.00 1.36 0.03 0.00 0.00 0.00 0.00 54.97 56.36 1ckl s GLU 63 Cb 0.00 -2.43 -0.00 0.00 2.00 0.00 0.00 34.13 33.70 1ckl s GLU 63 CO 0.00 -0.09 -0.22 0.95 -0.56 0.00 0.00 175.26 175.35 1ckl s THR 64 N -1.83 2.24 -0.16 -1.70 -4.23 -1.26 -0.37 115.64 108.32 1ckl s THR 64 Ca 0.59 -0.95 -0.17 0.00 -1.18 0.00 0.00 61.69 59.98 1ckl s THR 64 Cb -0.17 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1ckl s THR 64 CO 0.22 0.55 0.42 0.00 -0.54 0.00 0.00 174.62 175.27 1ckl n PRO 66 N 4.05 0.30 -0.90 0.00 -0.04 -1.26 -4.90 135.00 132.25 1ckl n PRO 66 Ca -0.08 0.11 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 1ckl n PRO 66 Cb 0.51 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1ckl n PRO 66 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1ckl n TYR 67 N 2.33 -1.64 -3.84 0.54 9.36 -1.26 -5.00 117.16 117.64 1ckl n TYR 67 Ca 0.22 0.40 -0.30 0.00 3.32 0.00 0.00 57.90 61.54 1ckl n TYR 67 Cb 0.08 -1.23 -0.14 0.00 -0.63 0.00 0.00 39.34 37.42 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 -1.25 1.76 -0.34 2.97 1.01 -1.26 -5.09 121.20 119.00 1ckl s ILE 68 Ca 0.41 -2.42 -0.43 0.00 0.00 0.00 0.00 60.65 58.21 1ckl s ILE 68 Cb -0.42 -2.26 -0.18 0.00 0.01 0.00 0.00 42.46 39.61 1ckl s ILE 68 CO 0.45 -0.76 1.62 -1.14 0.00 0.00 0.00 174.94 175.11 1ckl n ARG 69 N 3.91 0.58 -1.53 2.79 0.63 -1.26 -4.84 116.66 116.93 1ckl n ARG 69 Ca 0.04 0.21 -0.38 0.00 -0.92 0.00 0.00 57.85 56.81 1ckl n ARG 69 Cb 0.37 -1.80 -0.07 0.00 0.45 0.00 0.00 32.46 31.41 1ckl n ARG 69 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1ckl n ASP 70 N 4.39 1.68 -4.52 6.15 -0.08 -1.26 -4.92 116.55 117.99 1ckl n ASP 70 Ca 0.28 -0.27 -0.43 0.00 -1.51 0.00 0.00 54.79 52.86 1ckl n ASP 70 Cb 0.05 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.14 1ckl n ASP 70 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ckl n PRO 71 N 8.83 0.91 -1.65 -0.67 -0.02 -1.26 -4.81 135.00 136.33 1ckl n PRO 71 Ca 0.46 0.33 -0.63 0.00 -2.02 0.00 0.00 63.50 61.63 1ckl n PRO 71 Cb 0.38 -1.69 -0.09 0.00 -0.02 0.00 0.00 33.50 32.08 1ckl n PRO 71 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1ckl n LEU 72 N 1.10 0.88 -3.21 2.45 -0.00 -1.26 -3.04 117.00 113.92 1ckl n LEU 72 Ca 0.11 1.17 -0.21 0.00 -0.00 0.00 0.00 56.01 57.08 1ckl n LEU 72 Cb 0.37 -0.92 0.02 0.00 -0.00 0.00 0.00 43.42 42.88 1ckl n LEU 72 CO 0.57 -1.20 -0.07 0.59 -0.00 0.00 0.00 177.39 177.27 1ckl n ASN 73 N 3.15 -6.73 0.00 1.45 4.13 -1.26 -3.56 115.26 112.43 1ckl n ASN 73 Ca 0.26 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.60 1ckl n ASN 73 Cb 0.01 -3.63 0.00 0.00 -1.54 0.00 0.00 39.78 34.62 1ckl n ASN 73 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ckl n GLY 74 N -0.51 4.14 3.87 7.41 0.00 -1.17 -4.64 105.19 114.29 1ckl n GLY 74 Ca -0.01 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 1ckl n GLY 74 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ckl s GLN 75 N -3.00 3.38 -0.23 1.61 -0.21 0.31 -4.04 119.66 117.47 1ckl s GLN 75 Ca 0.00 -0.28 -0.05 0.00 0.02 0.00 0.00 55.36 55.05 1ckl s GLN 75 Cb 0.00 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.92 1ckl s GLN 75 CO 0.00 0.71 -0.01 0.00 -2.12 0.00 0.00 175.29 173.87 1ckl s ALA 76 N -1.20 2.90 -0.11 6.09 0.00 -1.26 -1.47 121.76 126.70 1ckl s ALA 76 Ca 0.22 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 1ckl s ALA 76 Cb -0.12 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.21 1ckl s ALA 76 CO 0.13 -0.51 0.38 0.54 0.00 0.00 0.00 175.76 176.30 1ckl s VAL 77 N 1.50 0.01 -0.17 0.00 0.11 -1.21 -4.86 120.40 115.78 1ckl s VAL 77 Ca 0.05 -0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 58.72 1ckl s VAL 77 Cb -0.15 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1ckl s VAL 77 CO -0.01 -0.06 0.95 -2.16 -3.33 0.00 0.00 175.10 170.49 1ckl s PRO 78 N -0.17 4.32 -0.28 1.54 0.04 -1.26 -0.51 135.00 138.68 1ckl s PRO 78 Ca -0.03 1.24 -0.22 0.00 0.04 0.00 0.00 61.00 62.02 1ckl s PRO 78 Cb -0.03 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 1ckl s PRO 78 CO 0.02 -0.42 0.74 0.00 0.04 0.00 0.00 177.00 177.37 1ckl s ALA 79 N 2.44 3.58 0.00 8.56 0.00 0.73 -1.27 121.76 135.80 1ckl s ALA 79 Ca 0.43 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1ckl s ALA 79 Cb -0.17 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ckl s ALA 79 CO 0.12 -1.02 0.00 0.09 0.00 0.00 0.00 175.76 174.95 1ckl n ASN 80 N 5.99 0.00 -3.47 0.00 5.03 -1.26 -1.96 115.26 119.60 1ckl n ASN 80 Ca 0.02 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.22 1ckl n ASN 80 Cb 0.48 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.25 1ckl n ASN 80 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ckl n GLY 81 N -1.13 -0.49 3.65 7.41 0.00 -0.40 -4.92 105.19 109.31 1ckl n GLY 81 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.06 0.00 -2.26 2.61 -1.32 -1.26 -5.01 115.64 105.33 1ckl s THR 82 Ca 0.46 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.15 1ckl s THR 82 Cb -0.23 -1.00 0.47 0.00 -1.51 0.00 0.00 72.50 70.23 1ckl s THR 82 CO 0.56 0.00 1.58 -1.22 -2.21 0.00 0.00 174.62 173.33 1ckl n TYR 83 N 0.27 0.18 -2.00 9.09 4.02 -1.26 -4.14 117.16 123.32 1ckl n TYR 83 Ca 0.03 -0.09 -0.42 0.00 -0.01 0.00 0.00 57.90 57.41 1ckl n TYR 83 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.87 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 -1.82 4.24 1.00 -0.72 2.02 -1.25 -1.59 118.70 120.58 1ckl s GLU 84 Ca 0.32 2.28 -0.18 0.00 0.02 0.00 0.00 54.97 57.42 1ckl s GLU 84 Cb 0.17 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 1ckl s GLU 84 CO 0.26 -0.56 -0.54 1.97 0.02 0.00 0.00 175.26 176.42 1ckl n PHE 85 N 3.95 -3.43 -1.00 1.61 1.16 0.50 -2.64 117.46 117.62 1ckl n PHE 85 Ca 0.13 0.14 0.00 0.00 -1.87 0.00 0.00 57.45 55.86 1ckl n PHE 85 Cb 0.40 -1.52 0.00 0.00 -1.61 0.00 0.00 39.48 36.74 1ckl n PHE 85 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ckl n GLY 86 N 2.87 0.27 0.00 4.97 0.00 0.34 -4.93 105.19 108.72 1ckl n GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ckl n GLY 86 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ckl n TYR 87 N -2.54 -0.45 -3.93 1.61 4.02 -1.08 -4.86 117.16 109.94 1ckl n TYR 87 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 1ckl n TYR 87 Cb 0.23 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.49 1ckl n TYR 87 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1ckl s GLN 88 N -0.12 1.29 0.32 -0.72 -2.07 -0.83 -0.90 119.66 116.63 1ckl s GLN 88 Ca 0.00 -1.13 0.10 0.00 -1.82 0.00 0.00 55.36 52.50 1ckl s GLN 88 Cb 0.00 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.29 1ckl s GLN 88 CO 0.00 -0.50 -0.06 1.41 -1.32 0.00 0.00 175.29 174.82 1ckl s MET 89 N -3.96 1.97 0.28 9.60 -2.45 -0.81 -0.19 119.30 123.73 1ckl s MET 89 Ca 0.17 -1.74 0.02 0.00 -1.25 0.00 0.00 55.69 52.89 1ckl s MET 89 Cb 0.02 -1.88 -0.05 0.00 1.25 0.00 0.00 34.83 34.16 1ckl s MET 89 CO 0.02 0.21 0.11 -1.01 1.05 0.00 0.00 175.02 175.40 1ckl s HIS 90 N -2.51 1.60 -0.18 4.11 3.76 0.34 -2.88 115.29 119.53 1ckl s HIS 90 Ca 0.33 -1.20 -0.05 0.00 -0.15 0.00 0.00 55.06 53.98 1ckl s HIS 90 Cb -0.02 -0.94 0.09 0.00 1.11 0.00 0.00 32.58 32.82 1ckl s HIS 90 CO 0.18 -0.34 0.33 -0.06 -0.85 0.00 0.00 174.74 174.00 1ckl s PHE 91 N -3.66 -0.60 -0.32 1.40 0.08 -0.78 -3.35 117.98 110.74 1ckl s PHE 91 Ca 0.37 1.09 0.01 0.00 0.12 0.00 0.00 56.93 58.52 1ckl s PHE 91 Cb 0.07 0.07 0.08 0.00 -0.57 0.00 0.00 43.02 42.67 1ckl s PHE 91 CO 0.15 -0.47 0.02 0.42 -0.10 0.00 0.00 175.22 175.24 1ckl s ILE 92 N 2.50 2.56 -0.20 0.64 1.01 -0.54 -4.96 121.20 122.21 1ckl s ILE 92 Ca 0.02 -1.93 -0.14 0.00 0.00 0.00 0.00 60.65 58.61 1ckl s ILE 92 Cb -0.13 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1ckl s ILE 92 CO -0.11 -0.37 0.30 0.00 0.00 0.00 0.00 174.94 174.75 1ckl n ASN 94 N 4.18 0.00 0.00 0.00 5.03 -1.26 -4.85 115.26 118.36 1ckl n ASN 94 Ca -0.11 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.34 1ckl n ASN 94 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 1ckl n ASN 94 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ckl n GLU 95 N 0.00 0.00 0.00 3.52 -0.58 -1.26 -4.13 120.64 118.19 1ckl n GLU 95 Ca 0.00 0.86 0.00 0.00 -0.42 0.00 0.00 57.16 57.60 1ckl n GLU 95 Cb 0.00 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 -0.99 -0.98 0.00 0.62 0.00 -1.26 -5.04 105.19 97.53 1ckl n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ckl n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ckl n TYR 97 N 0.00 0.00 -1.79 1.61 4.02 -1.26 -4.97 117.16 114.77 1ckl n TYR 97 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1ckl n TYR 97 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.41 1ckl n TYR 97 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1ckl n TYR 98 N 0.00 -3.72 -3.58 -0.72 4.11 -1.26 -4.27 117.16 107.72 1ckl n TYR 98 Ca 0.00 -0.71 -0.38 0.00 -0.00 0.00 0.00 57.90 56.80 1ckl n TYR 98 Cb 0.00 -0.48 -0.11 0.00 -0.00 0.00 0.00 39.34 38.75 1ckl n TYR 98 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1ckl s LEU 99 N 0.00 4.11 -0.57 -3.48 1.43 -1.26 -3.54 118.68 115.36 1ckl s LEU 99 Ca 0.38 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1ckl s LEU 99 Cb -0.01 -2.12 0.46 0.00 0.03 0.00 0.00 46.19 44.55 1ckl s LEU 99 CO 0.26 -0.09 1.99 -0.38 0.23 0.00 0.00 176.35 178.37 1ckl n ILE 100 N 5.07 3.40 -2.49 -0.59 5.41 -1.04 -4.93 119.36 124.18 1ckl n ILE 100 Ca -0.14 -2.51 0.00 0.00 1.00 0.00 0.00 62.75 61.10 1ckl n ILE 100 Cb 0.52 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 1ckl n ILE 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ckl n GLY 101 N -0.80 0.97 3.79 7.39 0.00 -1.26 -4.52 105.19 110.76 1ckl n GLY 101 Ca 0.57 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1ckl n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckl s GLU 102 N 1.44 3.64 -0.17 1.61 2.02 -1.26 -4.93 118.70 121.05 1ckl s GLU 102 Ca 0.00 1.43 0.08 0.00 0.02 0.00 0.00 54.97 56.51 1ckl s GLU 102 Cb 0.00 -2.06 -0.23 0.00 0.10 0.00 0.00 34.13 31.94 1ckl s GLU 102 CO 0.00 -0.58 0.16 -1.91 0.02 0.00 0.00 175.26 172.95 1ckl n GLU 103 N -1.12 0.68 -4.52 1.61 2.13 -1.26 -4.16 120.64 114.00 1ckl n GLU 103 Ca 0.10 0.14 -0.34 0.00 0.66 0.00 0.00 57.16 57.72 1ckl n GLU 103 Cb 0.52 -1.61 -0.11 0.00 0.27 0.00 0.00 31.44 30.51 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 3.84 -0.17 6.31 1.01 -1.26 -1.87 121.20 126.53 1ckl s ILE 104 Ca -0.18 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.06 1ckl s ILE 104 Cb 0.07 -2.61 0.04 0.00 0.01 0.00 0.00 42.46 39.97 1ckl s ILE 104 CO 0.76 0.57 -0.06 -0.76 0.00 0.00 0.00 174.94 175.45 1ckl s LEU 105 N -0.43 1.63 -0.15 2.97 1.43 -1.14 -4.96 118.68 118.03 1ckl s LEU 105 Ca 0.07 -0.66 -0.23 0.00 -1.03 0.00 0.00 54.13 52.27 1ckl s LEU 105 Cb -0.12 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1ckl s LEU 105 CO 0.02 -0.18 0.73 -0.31 0.23 0.00 0.00 176.35 176.84 1ckl s TYR 106 N 1.62 3.44 0.07 0.29 1.51 -1.26 -1.93 117.35 121.09 1ckl s TYR 106 Ca 0.01 1.14 -0.23 0.00 -1.01 0.00 0.00 57.07 56.97 1ckl s TYR 106 Cb -0.15 -2.89 -0.06 0.00 -0.11 0.00 0.00 41.96 38.75 1ckl s TYR 106 CO -0.08 -0.14 0.70 0.00 -1.11 0.00 0.00 175.55 174.93 1ckl s GLU 108 N -0.53 0.37 0.45 0.00 2.02 -0.36 0.13 118.70 120.78 1ckl s GLU 108 Ca 0.35 -0.71 -0.22 0.00 0.02 0.00 0.00 54.97 54.41 1ckl s GLU 108 Cb -0.20 0.08 -0.09 0.00 0.10 0.00 0.00 34.13 34.02 1ckl s GLU 108 CO 0.22 -0.05 1.05 -1.17 0.02 0.00 0.00 175.26 175.33 1ckl s LEU 109 N -1.68 3.98 0.06 1.80 1.98 -1.26 -1.34 118.68 122.22 1ckl s LEU 109 Ca -0.12 2.00 -0.06 0.00 -2.89 0.00 0.00 54.13 53.06 1ckl s LEU 109 Cb -0.08 -4.38 -0.01 0.00 0.66 0.00 0.00 46.19 42.38 1ckl s LEU 109 CO -0.02 -0.67 0.11 -0.75 -1.89 0.00 0.00 176.35 173.13 1ckl s LYS 110 N -2.89 0.69 0.00 1.98 2.47 -1.12 -4.83 119.74 116.04 1ckl s LYS 110 Ca 0.63 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 54.13 1ckl s LYS 110 Cb -0.19 0.27 0.00 0.00 -1.46 0.00 0.00 37.83 36.45 1ckl s LYS 110 CO 0.24 -0.19 0.00 0.41 0.16 0.00 0.00 175.35 175.97 1ckl n GLY 111 N 0.33 1.74 2.50 5.54 0.00 -1.26 0.00 105.19 114.05 1ckl n GLY 111 Ca -0.17 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1ckl n GLY 111 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ckl n SER 112 N 1.48 3.24 -3.68 1.61 2.88 -1.26 -5.04 113.62 112.84 1ckl n SER 112 Ca 0.00 -3.13 -0.10 0.00 -1.33 0.00 0.00 58.87 54.32 1ckl n SER 112 Cb 0.00 -0.46 -0.09 0.00 -0.75 0.00 0.00 64.21 62.91 1ckl n SER 112 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ckl s VAL 113 N -4.33 -0.01 -0.36 2.46 0.11 0.10 -5.09 120.40 113.27 1ckl s VAL 113 Ca 0.39 0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 59.22 1ckl s VAL 113 Cb 0.41 -0.74 -0.06 0.00 -1.53 0.00 0.00 36.38 34.46 1ckl s VAL 113 CO -0.05 0.02 2.32 0.00 -3.33 0.00 0.00 175.10 174.07 1ckl n ALA 114 N 4.04 1.28 -2.72 1.54 0.00 -1.26 -2.81 120.51 120.58 1ckl n ALA 114 Ca -0.21 -0.59 -0.21 0.00 0.00 0.00 0.00 53.44 52.42 1ckl n ALA 114 Cb 0.56 -3.06 -0.01 0.00 0.00 0.00 0.00 19.45 16.94 1ckl n ALA 114 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ckl s ILE 115 N 10.28 4.82 0.45 0.00 -1.09 -0.45 -4.06 121.20 131.16 1ckl s ILE 115 Ca 1.00 -0.82 0.07 0.00 -2.23 0.00 0.00 60.65 58.67 1ckl s ILE 115 Cb -0.26 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1ckl s ILE 115 CO 0.31 -0.34 0.30 0.26 -1.23 0.00 0.00 174.94 174.24 1ckl s TRP 116 N -2.16 2.37 -2.00 3.97 0.52 -1.26 -1.22 118.94 119.16 1ckl s TRP 116 Ca 0.39 -0.63 0.01 0.00 0.02 0.00 0.00 56.10 55.90 1ckl s TRP 116 Cb -0.09 -2.01 0.08 0.00 -1.15 0.00 0.00 33.47 30.30 1ckl s TRP 116 CO 0.32 -0.08 0.32 0.43 0.02 0.00 0.00 176.95 177.95 1ckl n SER 117 N -1.48 0.00 0.00 2.95 7.64 -1.01 -4.84 113.62 116.88 1ckl n SER 117 Ca -0.00 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1ckl n SER 117 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1ckl n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ckl n GLY 118 N -0.45 -0.40 3.64 0.23 0.00 -1.26 -4.98 105.19 101.98 1ckl n GLY 118 Ca 0.01 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.38 1.00 1.61 -0.14 -1.26 -5.18 119.74 116.14 1ckl s LYS 119 Ca 0.00 0.49 -0.12 0.00 -1.36 0.00 0.00 55.97 54.98 1ckl s LYS 119 Cb 0.00 0.16 0.19 0.00 -1.68 0.00 0.00 37.83 36.50 1ckl s LYS 119 CO 0.00 -0.05 1.08 -1.25 -0.76 0.00 0.00 175.35 174.37 1ckl s PRO 120 N 0.42 0.44 0.85 -1.68 0.04 -1.26 -4.67 135.00 129.13 1ckl s PRO 120 Ca 0.01 0.79 -0.09 0.00 0.04 0.00 0.00 61.00 61.76 1ckl s PRO 120 Cb -0.05 -1.72 0.18 0.00 0.04 0.00 0.00 34.50 32.96 1ckl s PRO 120 CO -0.10 -2.80 1.15 -0.35 0.04 0.00 0.00 177.00 174.95 1ckl n PRO 121 N -4.26 -0.75 -4.30 0.56 -0.04 -1.26 -4.88 135.00 120.06 1ckl n PRO 121 Ca 0.06 -2.29 -0.16 0.00 -0.04 0.00 0.00 63.50 61.07 1ckl n PRO 121 Cb 0.55 -1.03 -0.10 0.00 -0.04 0.00 0.00 33.50 32.88 1ckl n PRO 121 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ckl s ILE 122 N -3.47 0.53 0.39 0.52 1.01 -1.26 -4.74 121.20 114.18 1ckl s ILE 122 Ca 0.70 -2.00 0.08 0.00 0.00 0.00 0.00 60.65 59.43 1ckl s ILE 122 Cb -0.03 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 1ckl s ILE 122 CO 0.48 -0.06 0.11 0.00 0.00 0.00 0.00 174.94 175.47 1ckl s GLU 124 N -3.83 0.48 -0.20 0.00 0.41 -1.23 -4.95 118.70 109.39 1ckl s GLU 124 Ca 0.38 -0.79 -0.29 0.00 -0.41 0.00 0.00 54.97 53.86 1ckl s GLU 124 Cb 0.03 -1.65 -0.01 0.00 -1.78 0.00 0.00 34.13 30.72 1ckl s GLU 124 CO 0.21 -0.97 1.23 0.21 -0.49 0.00 0.00 175.26 175.45 1ckl s LYS 125 N 1.84 4.19 0.00 1.61 2.47 -1.26 -4.15 119.74 124.44 1ckl s LYS 125 Ca 0.09 1.55 0.00 0.00 -1.56 0.00 0.00 55.97 56.05 1ckl s LYS 125 Cb -0.17 -3.76 0.00 0.00 -1.46 0.00 0.00 37.83 32.44 1ckl s LYS 125 CO -0.29 -0.76 0.00 1.55 0.16 0.00 0.00 175.35 176.02