#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki n LEU 2 N 0.00 2.66 -4.60 4.03 4.77 -1.26 -4.98 117.00 117.63 1wki n LEU 2 Ca 0.00 -0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 1wki n LEU 2 Cb 0.00 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1wki n LEU 2 CO 0.00 0.51 1.61 -0.32 -1.33 0.00 0.00 177.39 177.86 1wki s MET 3 N -2.07 3.29 0.00 3.23 1.75 -1.26 -4.94 119.30 119.31 1wki s MET 3 Ca -0.04 1.60 0.00 0.00 -1.25 0.00 0.00 55.69 55.99 1wki s MET 3 Cb 0.01 -4.24 0.00 0.00 2.84 0.00 0.00 34.83 33.44 1wki s MET 3 CO 0.09 -1.91 0.25 -0.35 -0.65 0.00 0.00 175.02 172.45 1wki n PRO 4 N 8.50 0.00 -2.77 4.11 -0.04 -1.26 -5.01 135.00 138.53 1wki n PRO 4 Ca 0.25 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1wki n PRO 4 Cb 0.46 -0.72 -0.03 0.00 -0.04 0.00 0.00 33.50 33.17 1wki n PRO 4 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wki n ARG 5 N -0.33 -3.48 0.09 0.54 1.74 -1.26 -5.00 116.66 108.96 1wki n ARG 5 Ca 0.00 2.72 0.00 0.00 -0.77 0.00 0.00 57.85 59.80 1wki n ARG 5 Cb 0.00 -3.76 0.00 0.00 -1.02 0.00 0.00 32.46 27.68 1wki n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1wki n ARG 6 N 1.88 0.00 -1.91 5.56 0.00 -1.26 -5.14 116.66 115.80 1wki n ARG 6 Ca -0.27 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.25 1wki n ARG 6 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.92 1wki n ARG 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wki s MET 7 N -1.39 3.05 0.07 -0.14 0.23 -1.26 -4.96 119.30 114.90 1wki s MET 7 Ca 0.00 1.33 0.25 0.00 -1.03 0.00 0.00 55.69 56.25 1wki s MET 7 Cb 0.00 -1.99 0.55 0.00 -1.53 0.00 0.00 34.83 31.86 1wki s MET 7 CO 0.00 -1.05 1.47 0.36 -2.03 0.00 0.00 175.02 173.77 1wki n LYS 8 N -2.17 0.16 -2.17 3.16 2.85 -1.26 -5.03 118.16 113.70 1wki n LYS 8 Ca 0.10 0.06 -0.03 0.00 -1.05 0.00 0.00 58.31 57.39 1wki n LYS 8 Cb 0.52 -1.61 -0.02 0.00 -0.65 0.00 0.00 35.03 33.27 1wki n LYS 8 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1wki n TYR 9 N -1.85 -2.62 -4.25 5.58 4.01 -1.26 -5.06 117.16 111.71 1wki n TYR 9 Ca 0.05 1.44 -0.25 0.00 -0.16 0.00 0.00 57.90 58.98 1wki n TYR 9 Cb 0.39 -2.97 -0.07 0.00 -0.31 0.00 0.00 39.34 36.38 1wki n TYR 9 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1wki s ARG 10 N -0.85 2.34 -0.41 -0.72 1.81 -1.26 -4.85 118.95 115.01 1wki s ARG 10 Ca -0.13 -1.26 -0.14 0.00 -1.72 0.00 0.00 55.73 52.48 1wki s ARG 10 Cb 0.01 -2.26 0.02 0.00 -0.45 0.00 0.00 34.95 32.27 1wki s ARG 10 CO 0.47 0.41 0.52 1.63 -0.68 0.00 0.00 175.30 177.65 1wki n LYS 11 N -0.50 -2.53 -3.28 3.54 4.01 -1.26 -4.96 118.16 113.18 1wki n LYS 11 Ca -0.08 2.21 -0.39 0.00 -0.51 0.00 0.00 58.31 59.53 1wki n LYS 11 Cb 0.57 -5.58 -0.08 0.00 -0.51 0.00 0.00 35.03 29.43 1wki n LYS 11 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1wki s GLN 12 N -2.47 4.11 0.09 1.97 1.11 -1.26 -5.03 119.66 118.17 1wki s GLN 12 Ca 0.22 0.29 -0.31 0.00 0.01 0.00 0.00 55.36 55.57 1wki s GLN 12 Cb -0.06 -3.61 -0.09 0.00 -1.01 0.00 0.00 33.01 28.24 1wki s GLN 12 CO 0.77 -0.25 1.64 -1.14 0.01 0.00 0.00 175.29 176.32 1wki s GLN 13 N 1.97 4.20 -0.26 2.91 2.00 -1.26 -3.11 119.66 126.12 1wki s GLN 13 Ca 0.21 2.35 -0.04 0.00 -2.00 0.00 0.00 55.36 55.87 1wki s GLN 13 Cb -0.15 -3.50 0.02 0.00 0.80 0.00 0.00 33.01 30.17 1wki s GLN 13 CO 0.09 -0.71 0.09 0.54 -0.50 0.00 0.00 175.29 174.80 1wki n ARG 14 N 5.24 -3.79 0.00 1.67 1.74 -1.26 -4.79 116.66 115.47 1wki n ARG 14 Ca 0.15 2.96 0.00 0.00 -0.77 0.00 0.00 57.85 60.20 1wki n ARG 14 Cb 0.40 -5.14 0.00 0.00 -1.02 0.00 0.00 32.46 26.70 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 15 N 1.03 1.32 3.87 -0.13 0.00 -1.26 -5.13 105.19 104.89 1wki n GLY 15 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1wki n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wki s ARG 16 N 0.00 2.99 0.26 1.61 6.06 -1.18 -5.06 118.95 123.62 1wki s ARG 16 Ca 0.00 -1.05 0.04 0.00 -2.50 0.00 0.00 55.73 52.21 1wki s ARG 16 Cb 0.00 -2.62 -0.05 0.00 0.06 0.00 0.00 34.95 32.33 1wki s ARG 16 CO 0.00 0.30 0.01 -0.51 -2.50 0.00 0.00 175.30 172.61 1wki s LEU 17 N -3.93 2.17 -0.28 -0.88 2.01 -1.26 -4.97 118.68 111.54 1wki s LEU 17 Ca 0.36 -1.26 0.09 0.00 0.01 0.00 0.00 54.13 53.33 1wki s LEU 17 Cb -0.08 -0.30 0.67 0.00 0.01 0.00 0.00 46.19 46.49 1wki s LEU 17 CO 0.27 -0.53 1.67 0.29 1.01 0.00 0.00 176.35 179.05 1wki n LYS 18 N -0.49 3.58 -1.46 1.70 5.02 -1.26 -4.71 118.16 120.53 1wki n LYS 18 Ca -0.04 -2.71 -0.36 0.00 -2.02 0.00 0.00 58.31 53.18 1wki n LYS 18 Cb 0.65 -2.12 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wki n GLY 19 N 0.01 4.36 3.60 0.72 0.00 -1.26 -4.92 105.19 107.70 1wki n GLY 19 Ca 0.34 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 1wki n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wki s ALA 20 N 0.97 3.05 0.43 4.61 0.00 -1.26 -4.99 121.76 124.57 1wki s ALA 20 Ca 0.65 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1wki s ALA 20 Cb 0.21 -3.95 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1wki s ALA 20 CO -0.07 -2.42 0.08 0.25 0.00 0.00 0.00 175.76 173.61 1wki n THR 21 N 7.01 0.00 -1.73 0.00 -2.24 -1.26 -5.06 114.28 110.99 1wki n THR 21 Ca 0.15 -2.28 -0.13 0.00 -2.27 0.00 0.00 64.05 59.51 1wki n THR 21 Cb 0.48 0.67 0.11 0.00 -2.10 0.00 0.00 70.33 69.50 1wki n THR 21 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1wki n LYS 22 N -1.01 2.64 0.00 -0.78 0.00 -1.26 -5.06 118.16 112.69 1wki n LYS 22 Ca -0.11 -3.67 0.00 0.00 -0.00 0.00 0.00 58.31 54.53 1wki n LYS 22 Cb 0.60 -2.02 0.00 0.00 -0.00 0.00 0.00 35.03 33.61 1wki n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 23 N -0.92 0.44 1.04 2.58 0.00 -1.26 -5.10 105.19 101.97 1wki n GLY 23 Ca 0.37 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1wki n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 24 N 0.00 -4.07 0.00 -0.02 0.00 -1.26 -4.84 105.19 95.01 1wki n GLY 24 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1wki n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wki n ASP 25 N -0.93 0.00 0.00 1.61 5.75 -1.26 -4.68 116.55 117.04 1wki n ASP 25 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 1wki n ASP 25 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1wki n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wki n TYR 26 N -0.68 0.00 0.00 2.11 4.19 -1.26 -3.45 117.16 118.07 1wki n TYR 26 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1wki n TYR 26 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1wki n VAL 27 N 0.00 0.00 -2.82 2.97 0.31 -1.26 -4.50 118.33 113.02 1wki n VAL 27 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1wki n VAL 27 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1wki n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wki n ALA 28 N 0.00 -0.99 -1.59 3.52 0.00 -1.22 -4.66 120.51 115.56 1wki n ALA 28 Ca 0.00 0.12 -0.45 0.00 0.00 0.00 0.00 53.44 53.11 1wki n ALA 28 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 19.07 1wki n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wki n PHE 29 N -1.93 2.05 0.00 0.00 3.72 -1.26 -4.79 117.46 115.25 1wki n PHE 29 Ca 0.00 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1wki n PHE 29 Cb 0.18 -2.70 0.00 0.00 -0.94 0.00 0.00 39.48 36.01 1wki n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wki n GLY 30 N 5.51 4.55 0.18 1.37 0.00 -1.26 -4.72 105.19 110.82 1wki n GLY 30 Ca 0.29 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1wki n GLY 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wki h ASP 31 N 0.00 0.54 -1.42 1.61 5.19 -1.04 -3.42 116.42 117.88 1wki h ASP 31 Ca 0.00 -0.37 -0.53 0.00 -0.62 0.00 0.00 57.03 55.51 1wki h ASP 31 Cb 0.00 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.31 1wki h ASP 31 CO 0.00 0.79 -0.41 -0.31 -3.12 0.00 0.00 179.24 176.19 1wki s TYR 32 N -4.74 2.53 -0.24 4.55 2.02 -0.96 -2.17 117.35 118.34 1wki s TYR 32 Ca -0.13 -0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 55.84 1wki s TYR 32 Cb 0.08 -2.07 0.07 0.00 -0.40 0.00 0.00 41.96 39.64 1wki s TYR 32 CO 0.77 -0.06 0.60 0.20 -1.57 0.00 0.00 175.55 175.49 1wki s GLY 33 N -4.07 -0.52 -0.43 0.71 0.00 0.12 -2.74 107.32 100.38 1wki s GLY 33 Ca 0.44 2.04 -0.21 0.00 0.00 0.00 0.00 44.72 46.99 1wki s GLY 33 CO 0.25 2.01 0.66 -2.27 0.00 0.00 0.00 173.10 173.76 1wki s LEU 34 N 1.28 4.45 -0.01 0.66 1.98 0.18 -1.66 118.68 125.56 1wki s LEU 34 Ca -0.08 -0.27 -0.03 0.00 -2.89 0.00 0.00 54.13 50.86 1wki s LEU 34 Cb -0.06 -2.76 -0.04 0.00 0.66 0.00 0.00 46.19 43.99 1wki s LEU 34 CO -0.13 -0.78 0.19 0.54 -1.89 0.00 0.00 176.35 174.28 1wki s VAL 35 N 2.87 5.42 -0.38 1.68 0.11 -0.87 0.73 120.40 129.96 1wki s VAL 35 Ca 0.24 -0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 59.04 1wki s VAL 35 Cb -0.14 -3.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1wki s VAL 35 CO 0.19 0.34 0.35 0.00 -3.33 0.00 0.00 175.10 172.65 1wki s ALA 36 N -1.31 3.47 -2.04 1.54 0.00 0.55 -1.89 121.76 122.08 1wki s ALA 36 Ca 0.27 -1.45 0.17 0.00 0.00 0.00 0.00 51.96 50.95 1wki s ALA 36 Cb -0.13 -2.88 0.94 0.00 0.00 0.00 0.00 23.12 21.05 1wki s ALA 36 CO 0.18 -1.30 1.61 1.28 0.00 0.00 0.00 175.76 177.53 1wki n LEU 37 N 5.35 0.25 -3.74 0.00 4.77 0.31 0.10 117.00 124.03 1wki n LEU 37 Ca -0.10 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.65 1wki n LEU 37 Cb 0.48 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1wki n LEU 37 CO 0.42 0.05 0.06 -0.70 -1.33 0.00 0.00 177.39 175.89 1wki s GLU 38 N -1.97 0.56 0.21 3.23 2.12 -1.23 -4.52 118.70 117.11 1wki s GLU 38 Ca 0.26 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.53 1wki s GLU 38 Cb 0.12 0.26 -0.09 0.00 0.26 0.00 0.00 34.13 34.68 1wki s GLU 38 CO 0.20 -0.12 1.36 -1.25 -0.54 0.00 0.00 175.26 174.91 1wki s PRO 39 N -0.45 4.34 0.30 4.30 0.04 -1.26 -4.48 135.00 137.80 1wki s PRO 39 Ca -0.06 2.14 -0.19 0.00 0.04 0.00 0.00 61.00 62.93 1wki s PRO 39 Cb -0.04 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.37 1wki s PRO 39 CO 0.02 -0.32 0.72 0.00 0.04 0.00 0.00 177.00 177.47 1wki s ALA 40 N 0.12 -1.06 -0.34 8.56 0.00 -1.18 -4.91 121.76 122.94 1wki s ALA 40 Ca 0.58 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 1wki s ALA 40 Cb -0.38 0.82 0.06 0.00 0.00 0.00 0.00 23.12 23.61 1wki s ALA 40 CO 0.40 -1.02 0.09 -1.58 0.00 0.00 0.00 175.76 173.64 1wki s TRP 41 N -3.57 3.31 -0.27 0.00 0.51 -1.26 -1.54 118.94 116.11 1wki s TRP 41 Ca 0.13 -1.74 -0.26 0.00 -2.12 0.00 0.00 56.10 52.11 1wki s TRP 41 Cb -0.06 -2.38 0.00 0.00 -0.81 0.00 0.00 33.47 30.23 1wki s TRP 41 CO 0.08 -0.80 0.91 0.42 -0.51 0.00 0.00 176.95 177.05 1wki s ILE 42 N 1.31 4.72 0.97 2.03 -1.09 -0.85 -4.70 121.20 123.59 1wki s ILE 42 Ca -0.01 1.59 -0.16 0.00 -2.23 0.00 0.00 60.65 59.83 1wki s ILE 42 Cb -0.20 -4.23 0.20 0.00 -1.58 0.00 0.00 42.46 36.65 1wki s ILE 42 CO 0.00 -0.23 1.28 0.42 -1.23 0.00 0.00 174.94 175.18 1wki s THR 43 N 3.12 1.96 0.14 2.92 -4.23 -1.26 0.20 115.64 118.48 1wki s THR 43 Ca 0.38 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.74 1wki s THR 43 Cb -0.14 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.77 1wki s THR 43 CO 0.10 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 175.86 1wki h ALA 44 N -1.68 0.59 -0.86 3.99 0.00 -1.97 -2.92 119.26 116.40 1wki h ALA 44 Ca -0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1wki h ALA 44 Cb 1.25 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1wki h ALA 44 CO 0.41 0.21 0.42 1.96 0.00 0.00 0.00 179.25 182.26 1wki h GLN 45 N 0.58 1.24 -0.54 0.00 1.08 -1.94 -2.43 115.11 113.11 1wki h GLN 45 Ca 0.15 -0.18 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1wki h GLN 45 Cb 0.23 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1wki h GLN 45 CO -0.01 0.94 0.36 1.96 -0.95 0.00 0.00 178.83 181.13 1wki h GLN 46 N 1.23 0.58 -0.01 1.46 4.20 -1.88 2.47 115.11 123.16 1wki h GLN 46 Ca 0.30 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1wki h GLN 46 Cb 0.11 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1wki h GLN 46 CO -0.04 0.39 -0.01 0.82 -0.67 0.00 0.00 178.83 179.32 1wki h ILE 47 N 0.60 1.44 0.05 2.54 2.04 -1.34 -2.58 117.51 120.26 1wki h ILE 47 Ca 0.22 -1.32 -0.14 0.00 1.00 0.00 0.00 64.86 64.63 1wki h ILE 47 Cb 0.12 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1wki h ILE 47 CO -0.06 0.34 -0.68 -0.08 0.00 0.00 0.00 178.15 177.68 1wki h GLU 48 N -0.53 0.11 -0.50 2.37 4.81 -1.14 -2.99 114.58 116.70 1wki h GLU 48 Ca 0.00 -0.18 0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1wki h GLU 48 Cb 0.57 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1wki h GLU 48 CO 0.00 1.09 0.13 0.00 -0.73 0.00 0.00 179.01 179.51 1wki h ALA 49 N -0.09 0.58 -0.53 2.92 0.00 0.41 0.89 119.26 123.44 1wki h ALA 49 Ca -0.15 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1wki h ALA 49 Cb 1.34 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1wki h ALA 49 CO 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1wki h ALA 50 N 1.36 0.72 -0.71 0.00 0.00 -1.49 -2.82 119.26 116.31 1wki h ALA 50 Ca 0.25 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wki h ALA 50 Cb 0.30 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1wki h ALA 50 CO -0.29 0.53 0.47 -0.09 0.00 0.00 0.00 179.25 179.88 1wki h ARG 51 N 0.81 0.92 -0.56 0.00 1.12 -1.18 -1.66 114.38 113.84 1wki h ARG 51 Ca 0.15 -0.06 0.04 0.00 -1.11 0.00 0.00 59.98 59.01 1wki h ARG 51 Cb 0.53 -0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 30.23 1wki h ARG 51 CO 0.03 0.61 0.31 0.28 -3.11 0.00 0.00 179.97 178.09 1wki h VAL 52 N 0.95 1.00 -0.77 0.20 2.07 -0.69 0.47 116.25 119.48 1wki h VAL 52 Ca 0.27 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 1wki h VAL 52 Cb -0.09 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1wki h VAL 52 CO -0.07 0.11 0.28 0.00 0.02 0.00 0.00 177.57 177.91 1wki h ALA 53 N 1.28 1.04 -0.09 1.67 0.00 -1.21 -1.97 119.26 119.98 1wki h ALA 53 Ca 0.24 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1wki h ALA 53 Cb 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1wki h ALA 53 CO -0.14 0.66 -0.15 0.52 0.00 0.00 0.00 179.25 180.14 1wki h MET 54 N 1.13 0.25 -0.65 0.00 2.07 -0.64 -2.54 114.93 114.55 1wki h MET 54 Ca 0.25 -0.16 0.08 0.00 -2.07 0.00 0.00 59.70 57.81 1wki h MET 54 Cb 0.25 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 29.96 1wki h MET 54 CO -0.02 0.74 0.43 0.28 1.07 0.00 0.00 176.91 179.41 1wki h VAL 55 N -0.21 0.95 0.00 -2.22 2.07 0.01 -0.44 116.25 116.42 1wki h VAL 55 Ca 0.01 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 1wki h VAL 55 Cb 0.72 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1wki h VAL 55 CO 0.03 0.10 -0.71 0.03 0.02 0.00 0.00 177.57 177.04 1wki h ARG 56 N 0.56 0.00 0.30 1.57 3.08 -1.33 -3.29 114.38 115.27 1wki h ARG 56 Ca 0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1wki h ARG 56 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1wki h ARG 56 CO -0.09 0.71 -0.14 1.25 -1.07 0.00 0.00 179.97 180.63 1wki h HIS 57 N 0.00 -0.37 -0.48 3.04 2.76 -0.64 -3.39 115.15 116.07 1wki h HIS 57 Ca -0.01 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 57.98 1wki h HIS 57 Cb 1.31 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.37 1wki h HIS 57 CO 0.00 -0.16 0.74 1.19 -1.30 0.00 0.00 177.93 178.39 1wki n PHE 58 N -5.22 0.97 0.19 5.26 3.72 -1.07 -4.73 117.46 116.58 1wki n PHE 58 Ca -0.10 0.03 0.04 0.00 -0.05 0.00 0.00 57.45 57.37 1wki n PHE 58 Cb 0.21 -2.24 0.39 0.00 -0.94 0.00 0.00 39.48 36.90 1wki n PHE 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wki h ARG 59 N 13.57 0.00 -1.05 -1.08 3.08 -1.88 -2.80 114.38 124.23 1wki h ARG 59 Ca -0.04 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.53 1wki h ARG 59 Cb 1.09 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.88 1wki h ARG 59 CO 1.16 0.36 0.61 0.54 -1.07 0.00 0.00 179.97 181.58 1wki n ARG 60 N -3.85 2.17 -0.89 0.04 1.74 -1.26 -5.02 116.66 109.59 1wki n ARG 60 Ca -0.01 -2.61 0.03 0.00 -0.77 0.00 0.00 57.85 54.49 1wki n ARG 60 Cb 0.43 -2.02 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wki n GLY 61 N -0.78 -3.41 0.00 -0.13 0.00 -1.06 -4.98 105.19 94.84 1wki n GLY 61 Ca 0.51 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1wki n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 62 N -2.50 0.37 3.15 -0.02 0.00 -1.26 -4.60 105.19 100.32 1wki n GLY 62 Ca -0.02 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1wki n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wki s LYS 63 N -2.00 0.51 0.10 1.61 -2.85 -1.25 -5.01 119.74 110.85 1wki s LYS 63 Ca 0.00 -0.22 0.09 0.00 -1.00 0.00 0.00 55.97 54.85 1wki s LYS 63 Cb 0.00 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 1wki s LYS 63 CO 0.00 -0.12 -0.23 0.42 0.10 0.00 0.00 175.35 175.52 1wki s ILE 64 N -1.13 2.49 -0.24 3.79 1.01 -1.26 -2.99 121.20 122.88 1wki s ILE 64 Ca -0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 60.65 58.98 1wki s ILE 64 Cb -0.06 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.34 1wki s ILE 64 CO 0.02 0.18 -0.05 -0.36 0.00 0.00 0.00 174.94 174.74 1wki s PHE 65 N -1.02 3.02 -0.18 3.97 0.08 0.11 -5.00 117.98 118.97 1wki s PHE 65 Ca 0.15 -1.31 -0.06 0.00 0.12 0.00 0.00 56.93 55.83 1wki s PHE 65 Cb -0.10 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1wki s PHE 65 CO 0.06 -0.66 0.03 0.42 -0.10 0.00 0.00 175.22 174.97 1wki s ILE 66 N 1.39 4.40 -0.07 0.64 -1.09 -1.26 -2.83 121.20 122.38 1wki s ILE 66 Ca 0.02 -0.17 0.11 0.00 -2.23 0.00 0.00 60.65 58.38 1wki s ILE 66 Cb -0.16 -2.98 -0.16 0.00 -1.58 0.00 0.00 42.46 37.59 1wki s ILE 66 CO -0.04 0.45 0.13 -1.14 -1.23 0.00 0.00 174.94 173.11 1wki n ARG 67 N 3.75 1.44 -2.23 2.79 0.63 -1.26 -5.00 116.66 116.78 1wki n ARG 67 Ca -0.17 -0.05 -0.41 0.00 -0.92 0.00 0.00 57.85 56.31 1wki n ARG 67 Cb 0.52 -1.28 -0.03 0.00 0.45 0.00 0.00 32.46 32.12 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1wki s ILE 68 N -2.50 3.08 0.01 5.15 -4.36 -1.26 -5.04 121.20 116.28 1wki s ILE 68 Ca -0.05 1.00 -0.00 0.00 -0.26 0.00 0.00 60.65 61.34 1wki s ILE 68 Cb 0.05 -3.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.12 1wki s ILE 68 CO 0.47 0.20 -0.01 0.12 0.24 0.00 0.00 174.94 175.96 1wki s PHE 69 N -0.64 0.10 -0.52 1.37 5.36 -1.26 -5.05 117.98 117.34 1wki s PHE 69 Ca 0.51 -0.21 -0.27 0.00 -0.96 0.00 0.00 56.93 56.00 1wki s PHE 69 Cb -0.37 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.23 1wki s PHE 69 CO 0.44 -0.08 1.68 -1.25 -1.46 0.00 0.00 175.22 174.56 1wki s PRO 70 N -0.60 3.06 -0.10 10.12 0.04 -1.26 -4.28 135.00 141.99 1wki s PRO 70 Ca -0.07 0.78 0.21 0.00 0.04 0.00 0.00 61.00 61.96 1wki s PRO 70 Cb -0.04 -4.24 0.44 0.00 0.04 0.00 0.00 34.50 30.70 1wki s PRO 70 CO -0.00 -2.21 1.18 -0.40 0.04 0.00 0.00 177.00 175.60 1wki n ASP 71 N 10.94 1.43 -3.77 6.66 5.68 -0.16 -4.66 116.55 132.67 1wki n ASP 71 Ca 0.18 -2.56 -0.17 0.00 -0.50 0.00 0.00 54.79 51.75 1wki n ASP 71 Cb 0.50 -0.38 -0.16 0.00 -1.14 0.00 0.00 41.12 39.93 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1wki s LYS 72 N -1.41 0.10 0.46 0.11 2.20 -0.64 -4.93 119.74 115.62 1wki s LYS 72 Ca 0.35 0.18 -0.25 0.00 -0.36 0.00 0.00 55.97 55.89 1wki s LYS 72 Cb 0.38 -0.40 -0.08 0.00 -1.51 0.00 0.00 37.83 36.22 1wki s LYS 72 CO -0.12 -0.19 1.41 -1.25 -0.36 0.00 0.00 175.35 174.85 1wki s PRO 73 N 1.26 3.66 -0.16 4.03 0.04 -1.26 -0.58 135.00 141.99 1wki s PRO 73 Ca -0.07 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1wki s PRO 73 Cb -0.13 -2.63 0.03 0.00 0.04 0.00 0.00 34.50 31.81 1wki s PRO 73 CO -0.03 -0.83 -0.10 -0.47 0.04 0.00 0.00 177.00 175.61 1wki s TYR 74 N -1.21 2.08 0.08 0.56 6.14 -1.18 -4.80 117.35 119.01 1wki s TYR 74 Ca 0.62 -1.26 0.09 0.00 0.64 0.00 0.00 57.07 57.16 1wki s TYR 74 Cb -0.43 -1.51 -0.03 0.00 0.42 0.00 0.00 41.96 40.40 1wki s TYR 74 CO 0.55 -0.67 -0.24 0.95 0.64 0.00 0.00 175.55 176.79 1wki s THR 75 N 1.51 2.40 -0.24 4.34 -4.23 -1.26 0.64 115.64 118.79 1wki s THR 75 Ca 0.02 -1.49 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 1wki s THR 75 Cb -0.14 -2.01 0.44 0.00 1.34 0.00 0.00 72.50 72.13 1wki s THR 75 CO -0.09 0.24 1.28 0.29 -0.54 0.00 0.00 174.62 175.79 1wki n LYS 76 N 1.33 1.85 -2.64 3.99 4.76 -1.26 -4.99 118.16 121.20 1wki n LYS 76 Ca -0.17 -3.37 -0.39 0.00 -2.87 0.00 0.00 58.31 51.50 1wki n LYS 76 Cb 0.52 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 1wki n LYS 76 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wki s LYS 77 N -3.29 4.67 0.33 1.97 3.01 -1.26 -4.96 119.74 120.22 1wki s LYS 77 Ca 0.41 1.58 0.14 0.00 -1.01 0.00 0.00 55.97 57.09 1wki s LYS 77 Cb 0.38 -3.10 0.57 0.00 -1.01 0.00 0.00 37.83 34.67 1wki s LYS 77 CO -0.04 0.31 1.71 -1.00 0.51 0.00 0.00 175.35 176.83 1wki h PRO 78 N 3.72 0.00 -6.60 -1.68 0.13 -2.07 -3.44 132.00 122.06 1wki h PRO 78 Ca -0.46 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 1wki h PRO 78 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 1wki h PRO 78 CO 0.67 0.48 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.97 1wki s LEU 79 N -7.53 2.85 0.26 1.56 2.96 -1.26 -5.10 118.68 112.43 1wki s LEU 79 Ca -0.01 -0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 53.16 1wki s LEU 79 Cb 0.12 -1.68 -0.10 0.00 0.50 0.00 0.00 46.19 45.04 1wki s LEU 79 CO 0.72 0.20 1.42 -1.83 -1.32 0.00 0.00 176.35 175.54 1wki s GLU 80 N -2.00 4.28 0.35 1.98 4.04 -1.26 -4.98 118.70 121.10 1wki s GLU 80 Ca 0.19 2.29 -0.26 0.00 0.04 0.00 0.00 54.97 57.23 1wki s GLU 80 Cb -0.11 -3.10 -0.09 0.00 0.02 0.00 0.00 34.13 30.84 1wki s GLU 80 CO 0.11 -0.39 1.02 0.08 -1.84 0.00 0.00 175.26 174.24 1wki s VAL 81 N -0.18 3.85 0.26 1.83 1.01 -1.26 -5.05 120.40 120.86 1wki s VAL 81 Ca 0.58 1.54 -0.04 0.00 0.00 0.00 0.00 61.98 64.06 1wki s VAL 81 Cb -0.41 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1wki s VAL 81 CO 0.45 0.13 0.41 -2.11 0.00 0.00 0.00 175.10 173.98 1wki n ARG 82 N 0.41 0.59 0.00 2.72 -4.01 -1.26 -5.01 116.66 110.10 1wki n ARG 82 Ca 0.03 -1.91 0.00 0.00 -1.04 0.00 0.00 57.85 54.93 1wki n ARG 82 Cb 0.49 1.96 0.00 0.00 -3.04 0.00 0.00 32.46 31.86 1wki n ARG 82 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 1wki n MET 83 N -0.41 0.00 -2.42 2.89 2.81 -1.26 -4.74 117.12 113.99 1wki n MET 83 Ca -0.01 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.64 1wki n MET 83 Cb 0.42 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.99 1wki n MET 83 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1wki s GLY 84 N 0.00 1.76 0.23 3.03 0.00 -1.26 -5.01 107.32 106.07 1wki s GLY 84 Ca 0.00 -1.14 0.23 0.00 0.00 0.00 0.00 44.72 43.81 1wki s GLY 84 CO 0.00 -0.79 1.30 0.50 0.00 0.00 0.00 173.10 174.11 1wki h LYS 85 N -0.28 0.00 -0.16 2.90 1.79 -2.00 -3.46 116.57 115.36 1wki h LYS 85 Ca -0.43 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 58.31 1wki h LYS 85 Cb 1.31 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.71 1wki h LYS 85 CO 0.56 0.00 0.39 0.20 -1.08 0.00 0.00 179.45 179.52 1wki s GLY 86 N -4.06 0.07 -0.14 3.86 0.00 -1.26 -5.04 107.32 100.74 1wki s GLY 86 Ca 0.04 3.36 0.16 0.00 0.00 0.00 0.00 44.72 48.28 1wki s GLY 86 CO 0.73 3.65 1.20 0.28 0.00 0.00 0.00 173.10 178.96 1wki n LYS 87 N 5.02 1.13 0.00 2.90 5.02 -1.26 -5.06 118.16 125.91 1wki n LYS 87 Ca -0.08 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.30 1wki n LYS 87 Cb 0.55 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wki n GLY 88 N -0.58 3.56 3.70 0.72 0.00 -1.26 -5.17 105.19 106.16 1wki n GLY 88 Ca 0.15 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1wki n GLY 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wki s ASN 89 N 1.81 5.02 -0.14 1.61 2.47 -1.26 -5.12 114.94 119.33 1wki s ASN 89 Ca 0.00 -0.26 -0.07 0.00 0.42 0.00 0.00 52.86 52.94 1wki s ASN 89 Cb 0.00 -1.17 -0.04 0.00 -1.45 0.00 0.00 41.25 38.59 1wki s ASN 89 CO 0.00 0.11 0.12 0.54 -3.72 0.00 0.00 177.10 174.15 1wki s VAL 90 N -1.59 5.31 -0.85 -5.21 0.11 -1.26 -4.85 120.40 112.06 1wki s VAL 90 Ca 0.28 0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 59.41 1wki s VAL 90 Cb -0.10 -3.34 0.01 0.00 -1.53 0.00 0.00 36.38 31.41 1wki s VAL 90 CO 0.19 0.56 2.81 -0.62 -3.33 0.00 0.00 175.10 174.71 1wki n GLU 91 N 2.50 3.28 -0.98 1.54 -0.58 0.21 -4.94 120.64 121.67 1wki n GLU 91 Ca -0.19 -2.49 0.09 0.00 -0.42 0.00 0.00 57.16 54.15 1wki n GLU 91 Cb 0.54 -2.38 -0.05 0.00 -0.57 0.00 0.00 31.44 28.98 1wki n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wki n GLY 92 N 1.81 -3.27 3.86 0.62 0.00 -1.26 -4.68 105.19 102.28 1wki n GLY 92 Ca 0.57 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1wki n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wki s TYR 93 N -4.14 3.50 0.45 1.61 1.51 -1.26 -3.12 117.35 115.90 1wki s TYR 93 Ca 0.00 0.98 0.04 0.00 -1.01 0.00 0.00 57.07 57.08 1wki s TYR 93 Cb 0.00 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1wki s TYR 93 CO 0.00 0.32 0.02 0.14 -1.11 0.00 0.00 175.55 174.92 1wki s VAL 94 N -1.68 1.44 -0.29 0.71 -7.23 0.25 -3.80 120.40 109.81 1wki s VAL 94 Ca 0.44 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1wki s VAL 94 Cb -0.13 -2.55 0.08 0.00 0.56 0.00 0.00 36.38 34.34 1wki s VAL 94 CO 0.20 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.94 1wki s ALA 95 N -2.87 2.68 0.16 1.32 0.00 0.13 -0.99 121.76 122.19 1wki s ALA 95 Ca 0.21 -2.06 -0.31 0.00 0.00 0.00 0.00 51.96 49.79 1wki s ALA 95 Cb 0.05 -1.74 -0.10 0.00 0.00 0.00 0.00 23.12 21.34 1wki s ALA 95 CO 0.11 -1.39 1.54 0.08 0.00 0.00 0.00 175.76 176.09 1wki s VAL 96 N 1.03 2.71 0.23 0.00 1.01 -1.26 -2.00 120.40 122.13 1wki s VAL 96 Ca -0.01 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.55 1wki s VAL 96 Cb -0.20 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1wki s VAL 96 CO -0.06 0.04 -0.10 -0.69 0.00 0.00 0.00 175.10 174.29 1wki s VAL 97 N 1.11 1.64 0.16 2.92 1.01 -0.59 -4.99 120.40 121.66 1wki s VAL 97 Ca 0.69 -2.17 0.05 0.00 0.00 0.00 0.00 61.98 60.55 1wki s VAL 97 Cb -0.43 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1wki s VAL 97 CO 0.31 -0.47 -0.11 -0.54 0.00 0.00 0.00 175.10 174.29 1wki s LYS 98 N -3.69 1.10 -0.17 2.72 1.02 -1.26 -3.09 119.74 116.36 1wki s LYS 98 Ca 0.25 -1.47 -0.34 0.00 0.02 0.00 0.00 55.97 54.43 1wki s LYS 98 Cb 0.01 -0.70 -0.11 0.00 -0.52 0.00 0.00 37.83 36.51 1wki s LYS 98 CO 0.09 0.09 2.00 -2.30 -0.92 0.00 0.00 175.35 174.31 1wki n PRO 99 N -0.23 1.87 -0.06 -1.68 -0.02 -1.22 -2.08 135.00 131.58 1wki n PRO 99 Ca -0.10 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1wki n PRO 99 Cb 0.61 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wki n GLY 100 N 5.07 1.87 3.28 -1.23 0.00 0.29 -4.92 105.19 109.55 1wki n GLY 100 Ca 0.28 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1wki n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wki s ARG 101 N -1.00 3.32 -0.60 1.61 3.00 -0.89 -4.72 118.95 119.67 1wki s ARG 101 Ca 0.00 -0.66 -0.28 0.00 -1.00 0.00 0.00 55.73 53.79 1wki s ARG 101 Cb 0.00 -2.92 0.01 0.00 0.00 0.00 0.00 34.95 32.05 1wki s ARG 101 CO 0.00 -0.17 1.41 0.08 0.00 0.00 0.00 175.30 176.62 1wki s VAL 102 N 1.38 3.75 -0.16 7.11 1.01 -1.26 -0.33 120.40 131.90 1wki s VAL 102 Ca 0.05 0.60 0.17 0.00 0.00 0.00 0.00 61.98 62.80 1wki s VAL 102 Cb -0.14 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1wki s VAL 102 CO -0.04 -1.28 1.08 0.24 0.00 0.00 0.00 175.10 175.09 1wki h MET 103 N 11.10 0.00 -4.79 2.72 0.00 -0.04 -3.46 114.93 120.45 1wki h MET 103 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 59.70 59.15 1wki h MET 103 Cb 1.09 0.00 -0.15 0.00 0.00 0.00 0.00 31.60 32.54 1wki h MET 103 CO 1.20 0.30 -0.67 -0.06 0.00 0.00 0.00 176.91 177.67 1wki s PHE 104 N -3.01 1.15 -0.30 -0.22 0.40 -1.09 -4.05 117.98 110.85 1wki s PHE 104 Ca -0.00 -0.97 -0.09 0.00 -0.60 0.00 0.00 56.93 55.27 1wki s PHE 104 Cb 0.08 -0.65 0.17 0.00 0.51 0.00 0.00 43.02 43.13 1wki s PHE 104 CO 0.78 -0.17 0.77 -1.83 0.70 0.00 0.00 175.22 175.47 1wki s GLU 105 N -3.88 0.45 0.43 0.44 1.03 -1.13 0.47 118.70 116.51 1wki s GLU 105 Ca 0.21 0.97 0.05 0.00 0.03 0.00 0.00 54.97 56.22 1wki s GLU 105 Cb 0.06 0.56 0.01 0.00 -0.80 0.00 0.00 34.13 33.96 1wki s GLU 105 CO 0.02 -0.32 0.61 0.14 -1.33 0.00 0.00 175.26 174.37 1wki s VAL 106 N 2.80 3.32 -0.27 1.83 -7.23 -1.11 -0.71 120.40 119.03 1wki s VAL 106 Ca 0.05 -0.85 -0.25 0.00 -1.81 0.00 0.00 61.98 59.11 1wki s VAL 106 Cb -0.11 -3.17 0.10 0.00 0.56 0.00 0.00 36.38 33.76 1wki s VAL 106 CO -0.18 -0.08 0.89 0.00 -0.31 0.00 0.00 175.10 175.41 1wki s ALA 107 N -2.43 -1.88 0.00 1.32 0.00 -1.16 -0.42 121.76 117.19 1wki s ALA 107 Ca 0.52 1.94 0.00 0.00 0.00 0.00 0.00 51.96 54.42 1wki s ALA 107 Cb -0.10 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1wki s ALA 107 CO 0.34 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1wki n GLY 108 N 2.41 3.09 3.96 0.00 0.00 -1.26 -3.93 105.19 109.47 1wki n GLY 108 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1wki n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wki s VAL 109 N -2.82 2.25 0.88 1.61 -7.23 -1.26 -4.97 120.40 108.86 1wki s VAL 109 Ca 0.00 -0.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.61 1wki s VAL 109 Cb 0.00 -2.82 0.20 0.00 0.56 0.00 0.00 36.38 34.32 1wki s VAL 109 CO 0.00 0.00 1.20 0.35 -0.31 0.00 0.00 175.10 176.34 1wki n THR 110 N -2.90 0.00 -0.03 5.32 -2.24 -1.26 -4.84 114.28 108.34 1wki n THR 110 Ca 0.12 -1.08 -0.16 0.00 -2.27 0.00 0.00 64.05 60.66 1wki n THR 110 Cb 0.60 -1.38 -0.08 0.00 -2.10 0.00 0.00 70.33 67.37 1wki n THR 110 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1wki h GLU 111 N 0.00 0.55 -0.49 -0.78 4.81 -1.99 0.77 114.58 117.45 1wki h GLU 111 Ca -0.39 -0.45 -0.00 0.00 -0.13 0.00 0.00 59.36 58.39 1wki h GLU 111 Cb 1.15 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1wki h GLU 111 CO 0.30 1.08 0.31 1.49 -0.73 0.00 0.00 179.01 181.46 1wki h GLU 112 N 0.16 0.66 -0.05 1.92 4.57 -1.98 0.77 114.58 120.64 1wki h GLU 112 Ca -0.04 -0.05 -0.25 0.00 -1.18 0.00 0.00 59.36 57.84 1wki h GLU 112 Cb 1.19 -0.14 0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1wki h GLU 112 CO 0.11 0.47 -0.96 1.96 -1.18 0.00 0.00 179.01 179.41 1wki h GLN 113 N 0.66 0.72 -0.09 1.92 1.08 -1.95 -2.13 115.11 115.31 1wki h GLN 113 Ca 0.18 -0.71 -0.02 0.00 -1.45 0.00 0.00 58.65 56.65 1wki h GLN 113 Cb -0.03 0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1wki h GLN 113 CO -0.04 1.29 -0.04 0.00 -0.95 0.00 0.00 178.83 179.10 1wki h ALA 114 N 0.47 0.13 0.37 3.87 0.00 -0.65 -0.23 119.26 123.22 1wki h ALA 114 Ca -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1wki h ALA 114 Cb 1.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1wki h ALA 114 CO 0.19 -0.12 -0.18 0.52 0.00 0.00 0.00 179.25 179.66 1wki h MET 115 N -0.16 -0.48 -0.27 0.00 2.86 0.48 0.73 114.93 118.09 1wki h MET 115 Ca 0.02 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1wki h MET 115 Cb 0.47 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1wki h MET 115 CO 0.01 -0.25 0.06 1.49 1.06 0.00 0.00 176.91 179.28 1wki h GLU 116 N -0.63 0.16 -0.19 1.72 4.81 -1.45 0.44 114.58 119.44 1wki h GLU 116 Ca -0.05 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1wki h GLU 116 Cb 0.46 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1wki h GLU 116 CO 0.08 0.10 0.06 0.00 -0.73 0.00 0.00 179.01 178.53 1wki h ALA 117 N 1.19 0.21 -0.02 2.92 0.00 -0.98 0.95 119.26 123.52 1wki h ALA 117 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1wki h ALA 117 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wki h ALA 117 CO -0.15 -0.36 -0.02 -0.07 0.00 0.00 0.00 179.25 178.64 1wki h LEU 118 N 0.16 0.03 -0.08 0.00 4.07 -0.48 -1.94 115.31 117.06 1wki h LEU 118 Ca 0.08 -0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.80 1wki h LEU 118 Cb 0.05 -0.01 0.02 0.00 1.08 0.00 0.00 40.66 41.80 1wki h LEU 118 CO -0.08 0.06 -0.89 0.03 -1.08 0.00 0.00 178.44 176.48 1wki h ARG 119 N 0.03 0.75 -0.59 1.13 -0.00 0.17 -3.15 114.38 112.72 1wki h ARG 119 Ca 0.01 -0.70 0.06 0.00 -0.50 0.00 0.00 59.98 58.85 1wki h ARG 119 Cb 0.06 0.17 -0.05 0.00 0.00 0.00 0.00 29.97 30.15 1wki h ARG 119 CO 0.00 1.29 0.30 0.82 0.00 0.00 0.00 179.97 182.38 1wki h ILE 120 N 0.46 0.92 -0.29 2.04 2.04 -0.07 0.58 117.51 123.18 1wki h ILE 120 Ca -0.09 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.62 1wki h ILE 120 Cb 1.53 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1wki h ILE 120 CO 0.18 0.10 0.08 0.00 0.00 0.00 0.00 178.15 178.51 1wki h ALA 121 N 1.33 0.32 0.00 1.87 0.00 -1.52 -1.46 119.26 119.81 1wki h ALA 121 Ca 0.27 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1wki h ALA 121 Cb 0.21 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wki h ALA 121 CO -0.20 -0.32 -0.13 0.78 0.00 0.00 0.00 179.25 179.38 1wki h GLY 122 N 0.21 0.00 0.98 0.00 0.00 -1.37 -2.97 103.07 99.91 1wki h GLY 122 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1wki h GLY 122 CO -0.15 0.00 0.54 0.84 0.00 0.00 0.00 176.54 177.76 1wki h HIS 123 N 0.00 1.02 -0.01 5.60 6.17 0.22 -0.96 115.15 127.19 1wki h HIS 123 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1wki h HIS 123 Cb 0.55 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 30.14 1wki h HIS 123 CO 0.00 0.63 -0.01 0.36 0.71 0.00 0.00 177.93 179.61 1wki n LYS 124 N -4.53 1.29 -2.77 5.26 0.00 -1.13 -4.88 118.16 111.40 1wki n LYS 124 Ca 0.09 -0.50 -0.31 0.00 -0.00 0.00 0.00 58.31 57.58 1wki n LYS 124 Cb 0.03 -1.49 -0.04 0.00 -0.00 0.00 0.00 35.03 33.53 1wki n LYS 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1wki s LEU 125 N -2.05 3.81 -0.07 -5.58 1.43 -0.37 -4.97 118.68 110.88 1wki s LEU 125 Ca 0.41 1.27 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 1wki s LEU 125 Cb 0.21 -4.16 0.26 0.00 0.03 0.00 0.00 46.19 42.54 1wki s LEU 125 CO 0.37 -0.42 0.92 -0.81 0.23 0.00 0.00 176.35 176.63 1wki n PRO 126 N -1.25 2.20 -3.99 1.29 -0.04 -1.26 -4.87 135.00 127.08 1wki n PRO 126 Ca 0.04 -0.99 -0.10 0.00 -0.04 0.00 0.00 63.50 62.40 1wki n PRO 126 Cb 0.54 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 1wki n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1wki s ILE 127 N -1.57 0.04 0.08 0.52 -5.25 -1.26 -4.95 121.20 108.80 1wki s ILE 127 Ca 0.17 -1.43 -0.29 0.00 -0.99 0.00 0.00 60.65 58.11 1wki s ILE 127 Cb 0.13 -2.01 -0.05 0.00 2.95 0.00 0.00 42.46 43.48 1wki s ILE 127 CO 0.05 -0.17 0.93 -0.75 -1.79 0.00 0.00 174.94 173.22 1wki s LYS 128 N -4.00 4.64 0.06 0.37 2.47 -1.26 -4.90 119.74 117.12 1wki s LYS 128 Ca 0.21 1.38 0.01 0.00 -1.56 0.00 0.00 55.97 56.02 1wki s LYS 128 Cb 0.02 -3.39 -0.03 0.00 -1.46 0.00 0.00 37.83 32.97 1wki s LYS 128 CO 0.04 0.17 -0.06 0.95 0.16 0.00 0.00 175.35 176.61 1wki s THR 129 N 0.18 0.48 0.09 3.43 -4.23 -1.26 0.11 115.64 114.44 1wki s THR 129 Ca 0.46 -1.37 -0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1wki s THR 129 Cb -0.22 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 1wki s THR 129 CO 0.28 -0.60 -0.01 -1.59 -0.54 0.00 0.00 174.62 172.16 1wki s LYS 130 N -2.44 0.76 0.07 3.99 -2.85 -0.79 -4.95 119.74 113.52 1wki s LYS 130 Ca -0.03 -1.32 -0.21 0.00 -1.00 0.00 0.00 55.97 53.42 1wki s LYS 130 Cb -0.04 0.13 -0.06 0.00 -2.06 0.00 0.00 37.83 35.80 1wki s LYS 130 CO -0.02 -0.14 0.61 0.42 0.10 0.00 0.00 175.35 176.31 1wki s ILE 131 N -3.90 4.73 -0.10 3.79 -1.09 -1.26 -2.06 121.20 121.32 1wki s ILE 131 Ca 0.14 1.30 -0.07 0.00 -2.23 0.00 0.00 60.65 59.78 1wki s ILE 131 Cb 0.07 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1wki s ILE 131 CO -0.05 0.51 0.25 0.68 -1.23 0.00 0.00 174.94 175.10 1wki s VAL 132 N -0.87 -0.02 -0.30 2.92 -7.23 -0.66 -4.98 120.40 109.27 1wki s VAL 132 Ca 0.31 0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 60.38 1wki s VAL 132 Cb -0.20 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1wki s VAL 132 CO 0.20 0.02 0.40 -0.60 -0.31 0.00 0.00 175.10 174.81 1wki s ARG 133 N 0.60 3.86 0.09 4.82 3.52 -1.25 0.14 118.95 130.73 1wki s ARG 133 Ca -0.04 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1wki s ARG 133 Cb -0.05 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1wki s ARG 133 CO -0.03 -0.40 0.00 0.54 -0.81 0.00 0.00 175.30 174.60 1wki n ARG 134 N 5.43 0.00 -1.72 5.12 5.12 -0.92 0.11 116.66 129.79 1wki n ARG 134 Ca -0.08 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.49 1wki n ARG 134 Cb 0.50 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.85 1wki n ARG 134 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1wki n ASP 135 N 3.36 7.15 -4.07 0.55 9.92 -1.26 -4.42 116.55 127.78 1wki n ASP 135 Ca 0.00 -3.80 -0.35 0.00 -0.53 0.00 0.00 54.79 50.11 1wki n ASP 135 Cb 0.00 -0.91 -0.11 0.00 -0.64 0.00 0.00 41.12 39.45 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wki s ALA 136 N -3.88 3.33 -0.28 2.24 0.00 0.30 -5.04 121.76 118.43 1wki s ALA 136 Ca 0.57 -2.96 0.01 0.00 0.00 0.00 0.00 51.96 49.58 1wki s ALA 136 Cb 0.46 -2.43 0.08 0.00 0.00 0.00 0.00 23.12 21.24 1wki s ALA 136 CO -0.18 -1.95 0.03 0.71 0.00 0.00 0.00 175.76 174.36 1wki s TYR 137 N 0.37 2.36 0.11 0.00 1.51 -1.26 -3.86 117.35 116.59 1wki s TYR 137 Ca 0.14 -1.96 0.06 0.00 -1.01 0.00 0.00 57.07 54.30 1wki s TYR 137 Cb -0.22 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1wki s TYR 137 CO -0.04 -0.84 -0.05 0.34 -1.11 0.00 0.00 175.55 173.86 1wki s ASP 138 N 1.40 4.69 -0.12 2.29 2.15 -1.26 -5.11 116.67 120.71 1wki s ASP 138 Ca 0.04 -0.31 -0.20 0.00 0.43 0.00 0.00 52.55 52.51 1wki s ASP 138 Cb -0.18 -1.00 -0.04 0.00 -0.30 0.00 0.00 42.92 41.40 1wki s ASP 138 CO -0.13 0.16 0.56 -1.61 -0.17 0.00 0.00 175.17 173.98 1wki s GLU 139 N -2.36 4.34 -0.32 4.34 0.41 -1.26 -5.05 118.70 118.80 1wki s GLU 139 Ca 0.24 0.58 0.03 0.00 -0.41 0.00 0.00 54.97 55.41 1wki s GLU 139 Cb -0.11 -3.47 0.09 0.00 -1.78 0.00 0.00 34.13 28.87 1wki s GLU 139 CO 0.16 0.06 0.03 0.00 -0.49 0.00 0.00 175.26 175.03 1wki s ALA 140 N 0.91 2.53 0.00 5.21 0.00 -1.26 -5.34 121.76 123.80 1wki s ALA 140 Ca 0.29 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1wki s ALA 140 Cb -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1wki s ALA 140 CO 0.12 -1.59 0.31 0.94 0.00 0.00 0.00 175.76 175.55