#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki s LEU 2 N 0.00 4.03 -0.10 4.03 0.20 -1.26 -5.05 118.68 120.53 1wki s LEU 2 Ca 0.00 1.79 -0.10 0.00 0.69 0.00 0.00 54.13 56.51 1wki s LEU 2 Cb 0.00 -4.39 -0.05 0.00 -0.43 0.00 0.00 46.19 41.32 1wki s LEU 2 CO 0.00 -0.37 0.22 -0.32 -0.29 0.00 0.00 176.35 175.59 1wki s MET 3 N -2.87 3.73 -0.87 1.98 1.75 -1.26 -5.03 119.30 116.73 1wki s MET 3 Ca 0.60 0.02 -0.25 0.00 -1.25 0.00 0.00 55.69 54.81 1wki s MET 3 Cb -0.14 -3.25 0.01 0.00 2.84 0.00 0.00 34.83 34.30 1wki s MET 3 CO 0.18 0.64 1.59 -1.25 -0.65 0.00 0.00 175.02 175.53 1wki s PRO 4 N -0.71 3.11 -0.38 4.11 0.04 -1.26 -4.92 135.00 134.99 1wki s PRO 4 Ca 0.17 -0.49 0.02 0.00 0.04 0.00 0.00 61.00 60.73 1wki s PRO 4 Cb -0.13 -4.90 0.11 0.00 0.04 0.00 0.00 34.50 29.62 1wki s PRO 4 CO 0.06 -2.56 0.14 0.50 0.04 0.00 0.00 177.00 175.18 1wki s ARG 5 N 5.93 1.20 -0.16 4.56 3.52 -1.26 -5.10 118.95 127.64 1wki s ARG 5 Ca 0.53 -1.71 -0.17 0.00 -0.13 0.00 0.00 55.73 54.24 1wki s ARG 5 Cb -0.05 -2.54 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 1wki s ARG 5 CO 0.02 -1.04 0.46 1.03 -0.81 0.00 0.00 175.30 174.96 1wki s ARG 6 N 0.87 4.26 0.54 5.12 1.81 -1.26 -5.08 118.95 125.21 1wki s ARG 6 Ca 0.13 0.36 0.02 0.00 -1.72 0.00 0.00 55.73 54.52 1wki s ARG 6 Cb -0.21 -3.49 0.03 0.00 -0.45 0.00 0.00 34.95 30.83 1wki s ARG 6 CO -0.11 0.04 0.76 1.41 -0.68 0.00 0.00 175.30 176.71 1wki s MET 7 N 1.04 2.58 0.09 3.54 1.75 -1.26 -5.11 119.30 121.92 1wki s MET 7 Ca 0.23 -0.80 0.08 0.00 -1.25 0.00 0.00 55.69 53.94 1wki s MET 7 Cb -0.15 -2.51 -0.04 0.00 2.84 0.00 0.00 34.83 34.98 1wki s MET 7 CO 0.09 -0.67 -0.15 -1.59 -0.65 0.00 0.00 175.02 172.05 1wki s LYS 8 N -4.73 2.01 -0.13 4.11 -2.85 -1.26 -5.01 119.74 111.88 1wki s LYS 8 Ca 0.57 -1.05 0.05 0.00 -1.00 0.00 0.00 55.97 54.53 1wki s LYS 8 Cb -0.10 -2.21 0.15 0.00 -2.06 0.00 0.00 37.83 33.61 1wki s LYS 8 CO 0.38 0.51 1.00 2.48 0.10 0.00 0.00 175.35 179.83 1wki n TYR 9 N 1.02 -0.77 -2.93 1.78 0.18 -1.26 -5.15 117.16 110.03 1wki n TYR 9 Ca -0.15 -0.82 -0.25 0.00 1.88 0.00 0.00 57.90 58.56 1wki n TYR 9 Cb 0.52 0.87 0.01 0.00 -0.38 0.00 0.00 39.34 40.36 1wki n TYR 9 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1wki s ARG 10 N 0.05 3.25 0.24 -3.48 3.52 -1.26 -4.92 118.95 116.35 1wki s ARG 10 Ca 0.03 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1wki s ARG 10 Cb 0.17 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 1wki s ARG 10 CO -0.05 -0.21 0.00 1.17 -0.81 0.00 0.00 175.30 175.40 1wki n LYS 11 N -2.11 -3.97 -1.48 5.12 4.81 -1.26 -4.98 118.16 114.29 1wki n LYS 11 Ca 0.00 2.89 -0.29 0.00 -0.87 0.00 0.00 58.31 60.04 1wki n LYS 11 Cb 0.57 -3.11 0.12 0.00 0.02 0.00 0.00 35.03 32.63 1wki n LYS 11 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1wki s GLN 12 N -2.15 1.55 -0.28 1.64 -1.52 -1.26 -5.00 119.66 112.64 1wki s GLN 12 Ca 0.00 0.54 -0.25 0.00 -1.95 0.00 0.00 55.36 53.70 1wki s GLN 12 Cb 0.00 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 30.92 1wki s GLN 12 CO 0.00 -1.97 0.84 -0.65 -0.25 0.00 0.00 175.29 173.26 1wki s GLN 13 N -5.16 4.06 0.33 2.91 -0.21 -1.26 -4.90 119.66 115.44 1wki s GLN 13 Ca 0.62 0.79 0.00 0.00 0.02 0.00 0.00 55.36 56.79 1wki s GLN 13 Cb -0.15 -3.70 0.00 0.00 1.00 0.00 0.00 33.01 30.16 1wki s GLN 13 CO 0.54 -0.64 0.00 0.54 -2.12 0.00 0.00 175.29 173.62 1wki n ARG 14 N 6.20 -2.89 0.00 2.91 1.74 -1.26 -4.99 116.66 118.37 1wki n ARG 14 Ca 0.05 1.91 0.00 0.00 -0.77 0.00 0.00 57.85 59.04 1wki n ARG 14 Cb 0.48 -3.52 0.00 0.00 -1.02 0.00 0.00 32.46 28.39 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 -4.22 3.84 2.91 -0.13 0.00 -1.26 -5.08 105.19 101.25 1wki n GLY 15 Ca 0.01 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 1wki n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki s ARG 16 N 0.00 0.24 -0.29 1.61 0.52 -1.26 -5.04 118.95 114.74 1wki s ARG 16 Ca 0.00 -0.09 0.09 0.00 -0.52 0.00 0.00 55.73 55.20 1wki s ARG 16 Cb 0.00 -0.25 0.48 0.00 0.52 0.00 0.00 34.95 35.70 1wki s ARG 16 CO 0.00 0.05 1.40 1.28 0.02 0.00 0.00 175.30 178.06 1wki n LEU 17 N 3.08 3.99 0.05 2.53 7.99 -1.26 -4.61 117.00 128.78 1wki n LEU 17 Ca -0.13 -3.93 -0.03 0.00 -0.01 0.00 0.00 56.01 51.91 1wki n LEU 17 Cb 0.58 -0.60 -0.08 0.00 -0.11 0.00 0.00 43.42 43.22 1wki n LEU 17 CO 0.25 1.39 -0.04 0.07 -1.51 0.00 0.00 177.39 177.56 1wki h LYS 18 N 1.14 0.00 0.00 3.23 5.09 -2.05 -3.50 116.57 120.48 1wki h LYS 18 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.94 1wki h LYS 18 Cb 1.47 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.80 1wki h LYS 18 CO 0.37 0.56 0.00 0.41 -2.09 0.00 0.00 179.45 178.71 1wki n GLY 19 N 1.37 0.09 3.57 0.07 0.00 -1.26 -4.89 105.19 104.15 1wki n GLY 19 Ca -0.06 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.68 2.97 -0.46 4.61 0.00 -1.26 -5.10 121.76 120.85 1wki s ALA 20 Ca 0.00 -1.68 0.06 0.00 0.00 0.00 0.00 51.96 50.34 1wki s ALA 20 Cb 0.00 -0.60 0.19 0.00 0.00 0.00 0.00 23.12 22.71 1wki s ALA 20 CO 0.00 0.32 0.58 0.25 0.00 0.00 0.00 175.76 176.91 1wki n THR 21 N -0.56 -0.54 -3.53 0.00 -2.24 -1.26 -5.13 114.28 101.03 1wki n THR 21 Ca -0.07 -2.29 -0.13 0.00 -2.27 0.00 0.00 64.05 59.29 1wki n THR 21 Cb 0.58 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 1wki n THR 21 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wki s LYS 22 N 0.33 0.87 -0.61 -0.78 2.47 -1.26 -5.12 119.74 115.64 1wki s LYS 22 Ca 0.32 0.06 -0.04 0.00 -1.56 0.00 0.00 55.97 54.75 1wki s LYS 22 Cb 0.06 0.41 0.16 0.00 -1.46 0.00 0.00 37.83 37.00 1wki s LYS 22 CO -0.14 -0.30 0.43 0.20 0.16 0.00 0.00 175.35 175.70 1wki s GLY 23 N -1.51 2.45 0.13 5.54 0.00 -1.26 -5.07 107.32 107.59 1wki s GLY 23 Ca -0.04 -3.17 -0.28 0.00 0.00 0.00 0.00 44.72 41.23 1wki s GLY 23 CO 0.02 1.10 0.89 -0.32 0.00 0.00 0.00 173.10 174.79 1wki s GLY 24 N 0.96 2.97 0.41 0.20 0.00 -1.26 -5.01 107.32 105.60 1wki s GLY 24 Ca 0.16 0.49 -0.26 0.00 0.00 0.00 0.00 44.72 45.10 1wki s GLY 24 CO -0.04 1.24 1.41 1.22 0.00 0.00 0.00 173.10 176.93 1wki n ASP 25 N 2.34 3.31 -0.08 1.64 9.92 -1.00 -4.94 116.55 127.74 1wki n ASP 25 Ca -0.01 1.16 -0.16 0.00 -0.53 0.00 0.00 54.79 55.26 1wki n ASP 25 Cb 0.49 -1.58 -0.07 0.00 -0.64 0.00 0.00 41.12 39.32 1wki n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wki n TYR 26 N 0.04 0.00 0.00 1.24 0.18 -1.26 -4.23 117.16 113.13 1wki n TYR 26 Ca 0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 1wki n TYR 26 Cb 0.40 -0.62 0.00 0.00 -0.38 0.00 0.00 39.34 38.74 1wki n TYR 26 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1wki n VAL 27 N -3.46 0.00 0.00 -3.48 0.31 -1.26 -4.63 118.33 105.81 1wki n VAL 27 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1wki n VAL 27 Cb 0.76 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.69 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 -2.39 0.00 -2.56 3.52 0.00 -1.26 -4.71 120.51 113.11 1wki n ALA 28 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1wki n ALA 28 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1wki n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wki s PHE 29 N 0.00 2.34 0.52 0.00 0.08 -1.26 -5.07 117.98 114.58 1wki s PHE 29 Ca 0.00 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.32 1wki s PHE 29 Cb 0.00 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1wki s PHE 29 CO 0.00 0.34 0.00 0.41 -0.10 0.00 0.00 175.22 175.87 1wki n GLY 30 N -0.86 -4.01 0.35 4.36 0.00 -1.26 -4.61 105.19 99.16 1wki n GLY 30 Ca -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 45.08 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 0.31 0.97 -1.46 1.61 5.19 -1.72 -3.41 116.42 117.91 1wki h ASP 31 Ca 0.00 -0.06 -0.52 0.00 -0.62 0.00 0.00 57.03 55.84 1wki h ASP 31 Cb 0.76 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.98 1wki h ASP 31 CO 0.00 0.75 -0.40 -0.31 -3.12 0.00 0.00 179.24 176.16 1wki s TYR 32 N -5.83 2.60 -0.26 4.55 2.02 -0.41 0.12 117.35 120.14 1wki s TYR 32 Ca -0.12 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 55.90 1wki s TYR 32 Cb 0.17 -2.11 0.08 0.00 -0.40 0.00 0.00 41.96 39.71 1wki s TYR 32 CO 0.80 -0.08 0.63 0.20 -1.57 0.00 0.00 175.55 175.53 1wki s GLY 33 N -4.09 -0.58 -0.44 0.71 0.00 0.33 -3.11 107.32 100.14 1wki s GLY 33 Ca 0.46 2.25 -0.21 0.00 0.00 0.00 0.00 44.72 47.21 1wki s GLY 33 CO 0.26 2.31 0.66 -2.27 0.00 0.00 0.00 173.10 174.07 1wki s LEU 34 N 1.68 4.47 0.01 0.66 1.98 0.32 -1.55 118.68 126.25 1wki s LEU 34 Ca -0.10 -0.30 -0.05 0.00 -2.89 0.00 0.00 54.13 50.79 1wki s LEU 34 Cb -0.06 -2.76 -0.05 0.00 0.66 0.00 0.00 46.19 43.98 1wki s LEU 34 CO -0.19 -0.80 0.24 0.54 -1.89 0.00 0.00 176.35 174.26 1wki s VAL 35 N 2.88 5.34 -0.34 1.68 0.11 -0.92 -0.06 120.40 129.10 1wki s VAL 35 Ca 0.24 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.16 1wki s VAL 35 Cb -0.14 -3.56 -0.01 0.00 -1.53 0.00 0.00 36.38 31.14 1wki s VAL 35 CO 0.19 0.32 0.33 0.00 -3.33 0.00 0.00 175.10 172.62 1wki s ALA 36 N -1.34 3.50 -0.59 1.54 0.00 0.98 -2.13 121.76 123.71 1wki s ALA 36 Ca 0.29 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 51.07 1wki s ALA 36 Cb -0.13 -2.78 0.42 0.00 0.00 0.00 0.00 23.12 20.63 1wki s ALA 36 CO 0.18 -1.04 1.16 1.28 0.00 0.00 0.00 175.76 177.34 1wki n LEU 37 N 5.32 3.52 -3.63 0.00 4.77 0.29 0.12 117.00 127.38 1wki n LEU 37 Ca -0.10 -1.79 -0.11 0.00 -0.03 0.00 0.00 56.01 53.98 1wki n LEU 37 Cb 0.49 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1wki n LEU 37 CO 0.39 0.46 0.58 -0.70 -1.33 0.00 0.00 177.39 176.79 1wki s GLU 38 N -1.89 0.66 0.16 3.23 2.12 -1.25 -4.70 118.70 117.03 1wki s GLU 38 Ca 0.28 0.81 -0.31 0.00 0.36 0.00 0.00 54.97 56.11 1wki s GLU 38 Cb 0.22 0.30 -0.10 0.00 0.26 0.00 0.00 34.13 34.81 1wki s GLU 38 CO 0.08 -0.08 1.51 -1.25 -0.54 0.00 0.00 175.26 174.98 1wki s PRO 39 N 0.42 4.24 0.27 4.30 0.04 -1.26 -4.52 135.00 138.50 1wki s PRO 39 Ca 0.01 2.29 -0.19 0.00 0.04 0.00 0.00 61.00 63.15 1wki s PRO 39 Cb -0.05 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.34 1wki s PRO 39 CO -0.04 -0.55 0.66 0.00 0.04 0.00 0.00 177.00 177.11 1wki s ALA 40 N 0.99 -0.97 -0.37 8.56 0.00 -1.18 -4.96 121.76 123.83 1wki s ALA 40 Ca 0.67 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 1wki s ALA 40 Cb -0.42 0.90 0.07 0.00 0.00 0.00 0.00 23.12 23.67 1wki s ALA 40 CO 0.32 -0.99 0.16 -1.58 0.00 0.00 0.00 175.76 173.67 1wki s TRP 41 N -3.92 3.35 -0.26 0.00 0.51 -1.26 -1.70 118.94 115.67 1wki s TRP 41 Ca 0.14 -1.73 -0.26 0.00 -2.12 0.00 0.00 56.10 52.13 1wki s TRP 41 Cb -0.05 -2.65 0.00 0.00 -0.81 0.00 0.00 33.47 29.96 1wki s TRP 41 CO 0.08 -0.83 0.90 0.42 -0.51 0.00 0.00 176.95 177.01 1wki s ILE 42 N 1.33 4.75 0.93 2.03 -1.09 -1.09 -4.73 121.20 123.34 1wki s ILE 42 Ca 0.01 1.63 -0.15 0.00 -2.23 0.00 0.00 60.65 59.91 1wki s ILE 42 Cb -0.21 -4.20 0.17 0.00 -1.58 0.00 0.00 42.46 36.63 1wki s ILE 42 CO 0.01 -0.18 1.25 0.42 -1.23 0.00 0.00 174.94 175.20 1wki s THR 43 N 3.05 1.97 0.15 2.92 -4.23 -1.26 0.10 115.64 118.34 1wki s THR 43 Ca 0.38 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.75 1wki s THR 43 Cb -0.15 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 70.79 1wki s THR 43 CO 0.09 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 175.90 1wki h ALA 44 N -1.54 0.64 -0.88 3.99 0.00 -1.97 -2.83 119.26 116.66 1wki h ALA 44 Ca -0.45 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.35 1wki h ALA 44 Cb 1.27 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1wki h ALA 44 CO 0.48 0.20 0.58 1.96 0.00 0.00 0.00 179.25 182.47 1wki h GLN 45 N 0.65 1.12 -0.53 0.00 1.08 -1.93 -1.94 115.11 113.56 1wki h GLN 45 Ca 0.17 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.34 1wki h GLN 45 Cb 0.13 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 1wki h GLN 45 CO -0.02 0.74 0.35 1.96 -0.95 0.00 0.00 178.83 180.91 1wki h GLN 46 N 1.16 0.57 -0.01 1.46 4.20 -1.87 2.64 115.11 123.26 1wki h GLN 46 Ca 0.34 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1wki h GLN 46 Cb -0.07 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1wki h GLN 46 CO -0.09 0.38 -0.03 0.82 -0.67 0.00 0.00 178.83 179.24 1wki h ILE 47 N 0.59 1.48 0.07 2.54 2.04 -1.27 -2.75 117.51 120.22 1wki h ILE 47 Ca 0.21 -1.44 -0.16 0.00 1.00 0.00 0.00 64.86 64.47 1wki h ILE 47 Cb 0.12 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1wki h ILE 47 CO -0.06 0.38 -0.80 -0.08 0.00 0.00 0.00 178.15 177.59 1wki h GLU 48 N -0.56 0.15 -0.50 2.37 4.81 -1.09 -2.99 114.58 116.78 1wki h GLU 48 Ca -0.00 -0.26 0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1wki h GLU 48 Cb 0.63 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.05 1wki h GLU 48 CO 0.01 1.13 0.14 0.00 -0.73 0.00 0.00 179.01 179.55 1wki h ALA 49 N -0.06 0.58 -0.51 2.92 0.00 0.44 0.07 119.26 122.71 1wki h ALA 49 Ca -0.17 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1wki h ALA 49 Cb 1.44 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1wki h ALA 49 CO 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 179.25 178.93 1wki h ALA 50 N 1.36 0.70 -0.90 0.00 0.00 -1.52 -2.97 119.26 115.92 1wki h ALA 50 Ca 0.24 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1wki h ALA 50 Cb 0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1wki h ALA 50 CO -0.28 0.58 0.59 0.00 0.00 0.00 0.00 179.25 180.14 1wki h ARG 51 N 0.82 1.16 -0.93 0.00 3.08 -1.21 -1.19 114.38 116.10 1wki h ARG 51 Ca 0.13 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1wki h ARG 51 Cb 0.64 -0.26 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 1wki h ARG 51 CO 0.04 0.76 0.61 0.28 -1.07 0.00 0.00 179.97 180.60 1wki h VAL 52 N 1.19 1.20 -0.30 2.04 2.07 -0.86 0.25 116.25 121.84 1wki h VAL 52 Ca 0.34 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 1wki h VAL 52 Cb -0.09 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.55 1wki h VAL 52 CO -0.09 0.22 -0.40 0.00 0.02 0.00 0.00 177.57 177.33 1wki h ALA 53 N 1.36 0.74 -0.06 1.67 0.00 -1.25 -2.63 119.26 119.09 1wki h ALA 53 Ca 0.35 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wki h ALA 53 Cb -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1wki h ALA 53 CO -0.09 0.66 -0.10 0.52 0.00 0.00 0.00 179.25 180.23 1wki h MET 54 N 0.59 0.17 -0.79 0.00 2.07 -0.65 -2.26 114.93 114.06 1wki h MET 54 Ca 0.05 -0.11 0.08 0.00 -2.07 0.00 0.00 59.70 57.65 1wki h MET 54 Cb 0.94 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.63 1wki h MET 54 CO 0.09 0.68 0.52 0.28 1.07 0.00 0.00 176.91 179.54 1wki h VAL 55 N -0.32 1.00 0.00 -2.22 2.07 -0.56 -0.88 116.25 115.34 1wki h VAL 55 Ca 0.00 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.10 1wki h VAL 55 Cb 0.67 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1wki h VAL 55 CO 0.02 0.15 -0.71 0.03 0.02 0.00 0.00 177.57 177.08 1wki h ARG 56 N 0.80 0.00 0.13 1.57 3.08 -1.46 -3.29 114.38 115.21 1wki h ARG 56 Ca 0.35 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 1wki h ARG 56 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1wki h ARG 56 CO -0.13 0.71 -0.06 1.25 -1.07 0.00 0.00 179.97 180.67 1wki h HIS 57 N 0.00 -0.16 -1.62 3.04 2.76 -0.54 -3.42 115.15 115.21 1wki h HIS 57 Ca -0.01 -0.00 -0.65 0.00 -2.20 0.00 0.00 60.37 57.51 1wki h HIS 57 Cb 1.30 0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.31 1wki h HIS 57 CO 0.00 0.04 1.23 1.19 -1.30 0.00 0.00 177.93 179.09 1wki n PHE 58 N -5.09 2.00 0.05 5.26 3.72 -1.01 -4.84 117.46 117.54 1wki n PHE 58 Ca -0.08 0.16 -0.15 0.00 -0.05 0.00 0.00 57.45 57.33 1wki n PHE 58 Cb 0.15 -2.60 -0.05 0.00 -0.94 0.00 0.00 39.48 36.05 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 10.68 0.52 -1.01 -1.08 3.08 -1.89 -3.20 114.38 121.48 1wki h ARG 59 Ca -0.40 -0.51 -0.55 0.00 0.07 0.00 0.00 59.98 58.59 1wki h ARG 59 Cb 1.29 0.13 -0.29 0.00 0.08 0.00 0.00 29.97 31.18 1wki h ARG 59 CO 0.98 1.15 0.70 0.54 -1.07 0.00 0.00 179.97 182.26 1wki n ARG 60 N -3.81 2.33 -1.07 0.04 1.74 -1.26 -5.04 116.66 109.59 1wki n ARG 60 Ca -0.07 -2.99 0.14 0.00 -0.77 0.00 0.00 57.85 54.16 1wki n ARG 60 Cb 0.81 -2.17 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.02 -2.50 0.00 -0.13 0.00 -1.21 -4.95 105.19 95.38 1wki n GLY 61 Ca 0.59 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.85 1.29 3.11 -0.02 0.00 -1.26 -4.55 105.19 99.91 1wki n GLY 62 Ca -0.03 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 1.00 -0.13 1.61 -2.85 -1.26 -4.96 119.74 111.15 1wki s LYS 63 Ca 0.00 -0.58 0.01 0.00 -1.00 0.00 0.00 55.97 54.40 1wki s LYS 63 Cb 0.00 -0.98 -0.00 0.00 -2.06 0.00 0.00 37.83 34.79 1wki s LYS 63 CO 0.00 0.26 -0.18 0.42 0.10 0.00 0.00 175.35 175.95 1wki s ILE 64 N -0.53 2.55 -0.44 3.79 1.01 -1.26 -3.13 121.20 123.18 1wki s ILE 64 Ca 0.03 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 1wki s ILE 64 Cb -0.06 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.39 1wki s ILE 64 CO 0.00 0.53 0.52 -0.36 0.00 0.00 0.00 174.94 175.64 1wki s PHE 65 N 0.58 3.12 -0.18 3.97 0.40 0.27 -4.91 117.98 121.24 1wki s PHE 65 Ca -0.10 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.75 1wki s PHE 65 Cb -0.16 -3.12 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 1wki s PHE 65 CO 0.03 -0.80 0.41 0.42 0.70 0.00 0.00 175.22 175.98 1wki s ILE 66 N 2.39 5.21 -0.18 0.64 -1.09 -1.26 -2.44 121.20 124.46 1wki s ILE 66 Ca 0.15 0.75 0.14 0.00 -2.23 0.00 0.00 60.65 59.46 1wki s ILE 66 Cb -0.17 -3.74 -0.21 0.00 -1.58 0.00 0.00 42.46 36.76 1wki s ILE 66 CO 0.15 0.28 0.03 0.54 -1.23 0.00 0.00 174.94 174.71 1wki n ARG 67 N 4.22 1.07 -2.35 2.79 5.12 -1.23 -4.97 116.66 121.32 1wki n ARG 67 Ca -0.08 0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.44 1wki n ARG 67 Cb 0.51 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 30.33 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1wki s ILE 68 N -2.43 3.25 -0.07 0.55 -4.36 -1.26 -5.05 121.20 111.84 1wki s ILE 68 Ca -0.11 1.23 -0.05 0.00 -0.26 0.00 0.00 60.65 61.46 1wki s ILE 68 Cb 0.05 -3.78 0.03 0.00 1.25 0.00 0.00 42.46 40.01 1wki s ILE 68 CO 0.70 0.28 0.16 0.12 0.24 0.00 0.00 174.94 176.44 1wki s PHE 69 N -0.98 -0.19 -0.34 1.37 5.36 -1.26 -5.06 117.98 116.88 1wki s PHE 69 Ca 0.47 0.48 -0.27 0.00 -0.96 0.00 0.00 56.93 56.65 1wki s PHE 69 Cb -0.35 0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.30 1wki s PHE 69 CO 0.44 -0.13 2.14 -2.14 -1.46 0.00 0.00 175.22 174.07 1wki s PRO 70 N 0.57 2.89 0.00 10.12 0.02 -1.26 -4.36 135.00 142.97 1wki s PRO 70 Ca -0.04 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1wki s PRO 70 Cb -0.05 -4.38 0.00 0.00 0.02 0.00 0.00 34.50 30.08 1wki s PRO 70 CO -0.03 -2.38 0.00 -0.25 -0.33 0.00 0.00 177.00 174.01 1wki n ASP 71 N 12.46 1.15 -4.66 2.53 8.00 -0.74 -4.75 116.55 130.55 1wki n ASP 71 Ca 0.29 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.36 1wki n ASP 71 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wki s LYS 72 N -1.92 4.21 0.36 -1.24 -0.14 -0.97 -4.86 119.74 115.19 1wki s LYS 72 Ca 0.00 1.85 -0.26 0.00 -1.36 0.00 0.00 55.97 56.20 1wki s LYS 72 Cb 0.00 -3.84 -0.12 0.00 -1.68 0.00 0.00 37.83 32.19 1wki s LYS 72 CO 0.00 -0.75 1.08 -2.30 -0.76 0.00 0.00 175.35 172.61 1wki n PRO 73 N 6.78 1.54 -3.77 -1.68 -0.02 -1.26 -2.01 135.00 134.58 1wki n PRO 73 Ca 0.15 0.55 -0.36 0.00 -2.02 0.00 0.00 63.50 61.81 1wki n PRO 73 Cb 0.44 -2.06 -0.11 0.00 -0.02 0.00 0.00 33.50 31.75 1wki n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wki s TYR 74 N -1.17 3.58 -0.10 6.00 6.14 -0.55 -4.79 117.35 126.46 1wki s TYR 74 Ca 0.60 -2.38 0.04 0.00 0.64 0.00 0.00 57.07 55.96 1wki s TYR 74 Cb -0.60 -3.21 -0.00 0.00 0.42 0.00 0.00 41.96 38.56 1wki s TYR 74 CO 0.59 -0.97 -0.23 0.95 0.64 0.00 0.00 175.55 176.53 1wki s THR 75 N 1.15 2.18 -0.35 4.34 -4.23 -1.26 -1.91 115.64 115.56 1wki s THR 75 Ca 0.08 -0.98 -0.20 0.00 -1.18 0.00 0.00 61.69 59.41 1wki s THR 75 Cb -0.23 -1.83 -0.00 0.00 1.34 0.00 0.00 72.50 71.78 1wki s THR 75 CO -0.04 0.56 0.61 -0.54 -0.54 0.00 0.00 174.62 174.66 1wki s LYS 76 N 0.28 3.70 -0.61 3.99 -0.14 -1.26 -5.02 119.74 120.68 1wki s LYS 76 Ca -0.16 0.04 -0.08 0.00 -1.36 0.00 0.00 55.97 54.41 1wki s LYS 76 Cb -0.17 -3.80 0.16 0.00 -1.68 0.00 0.00 37.83 32.34 1wki s LYS 76 CO 0.08 -0.69 0.48 0.15 -0.76 0.00 0.00 175.35 174.61 1wki s LYS 77 N 2.62 2.77 0.00 1.68 -0.14 -1.26 -5.08 119.74 120.33 1wki s LYS 77 Ca 0.23 -2.20 0.00 0.00 -1.36 0.00 0.00 55.97 52.64 1wki s LYS 77 Cb -0.15 -3.98 0.00 0.00 -1.68 0.00 0.00 37.83 32.03 1wki s LYS 77 CO 0.14 -1.21 0.00 -0.35 -0.76 0.00 0.00 175.35 173.17 1wki n PRO 78 N 4.19 -0.01 -2.40 -1.68 -0.04 -1.26 -4.97 135.00 128.83 1wki n PRO 78 Ca 0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 1wki n PRO 78 Cb 0.41 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.85 1wki n PRO 78 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1wki s LEU 79 N 0.00 4.21 -0.32 1.53 2.96 -1.26 -4.21 118.68 121.59 1wki s LEU 79 Ca 0.00 1.76 -0.07 0.00 -0.22 0.00 0.00 54.13 55.60 1wki s LEU 79 Cb 0.00 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.16 1wki s LEU 79 CO 0.00 -0.74 0.25 -0.62 -1.32 0.00 0.00 176.35 173.92 1wki n GLU 80 N 6.34 -2.64 -3.79 1.98 1.02 -1.26 -5.01 120.64 117.28 1wki n GLU 80 Ca 0.14 2.26 -0.37 0.00 -0.02 0.00 0.00 57.16 59.17 1wki n GLU 80 Cb 0.45 -5.03 -0.07 0.00 -0.02 0.00 0.00 31.44 26.77 1wki n GLU 80 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wki s VAL 81 N -1.90 5.44 0.00 2.62 1.01 -1.26 -5.05 120.40 121.26 1wki s VAL 81 Ca 0.10 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1wki s VAL 81 Cb -0.03 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1wki s VAL 81 CO 0.69 0.56 0.00 0.54 0.00 0.00 0.00 175.10 176.89 1wki n ARG 82 N 2.42 0.00 -1.11 2.72 1.74 -1.26 -5.07 116.66 116.11 1wki n ARG 82 Ca -0.18 0.02 0.15 0.00 -0.77 0.00 0.00 57.85 57.07 1wki n ARG 82 Cb 0.54 -0.35 -0.04 0.00 -1.02 0.00 0.00 32.46 31.59 1wki n ARG 82 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1wki n MET 83 N -0.95 -2.23 -2.34 5.56 2.81 -1.26 -4.82 117.12 113.89 1wki n MET 83 Ca 0.00 1.48 -0.20 0.00 -1.81 0.00 0.00 57.70 57.17 1wki n MET 83 Cb 0.00 -2.72 -0.01 0.00 -0.71 0.00 0.00 33.22 29.77 1wki n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wki n GLY 84 N -3.37 -0.32 0.01 3.03 0.00 -1.26 -4.85 105.19 98.43 1wki n GLY 84 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1wki n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 85 N -2.94 0.66 0.00 1.61 3.00 -1.26 -4.98 118.16 114.25 1wki n LYS 85 Ca -0.23 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 57.94 1wki n LYS 85 Cb 0.68 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 34.29 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 86 N 1.46 -0.47 3.58 3.14 0.00 -1.26 -5.15 105.19 106.49 1wki n GLY 86 Ca -0.02 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1wki n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wki s LYS 87 N 0.00 0.84 -0.22 1.61 2.47 -1.26 -5.15 119.74 118.03 1wki s LYS 87 Ca 0.00 0.53 -0.04 0.00 -1.56 0.00 0.00 55.97 54.90 1wki s LYS 87 Cb 0.00 0.40 0.08 0.00 -1.46 0.00 0.00 37.83 36.86 1wki s LYS 87 CO 0.00 -0.20 0.15 0.20 0.16 0.00 0.00 175.35 175.66 1wki s GLY 88 N -0.46 0.27 0.28 5.54 0.00 -1.26 -4.93 107.32 106.76 1wki s GLY 88 Ca -0.04 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 1wki s GLY 88 CO 0.04 2.00 1.23 0.21 0.00 0.00 0.00 173.10 176.58 1wki s ASN 89 N 2.19 6.97 0.69 1.64 3.84 -1.26 -5.01 114.94 124.01 1wki s ASN 89 Ca 0.06 2.48 -0.13 0.00 0.21 0.00 0.00 52.86 55.48 1wki s ASN 89 Cb -0.16 -2.63 0.01 0.00 -0.55 0.00 0.00 41.25 37.92 1wki s ASN 89 CO -0.19 -0.40 1.08 0.54 -2.79 0.00 0.00 177.10 175.34 1wki s VAL 90 N -0.88 3.58 -0.53 -5.21 0.11 -1.26 -4.94 120.40 111.27 1wki s VAL 90 Ca 0.49 0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 60.13 1wki s VAL 90 Cb -0.36 -3.17 0.30 0.00 -1.53 0.00 0.00 36.38 31.61 1wki s VAL 90 CO 0.46 -0.58 2.13 -0.62 -3.33 0.00 0.00 175.10 173.16 1wki n GLU 91 N -2.88 2.34 0.00 1.54 -0.58 -0.80 -5.01 120.64 115.25 1wki n GLU 91 Ca 0.09 -2.57 0.00 0.00 -0.42 0.00 0.00 57.16 54.26 1wki n GLU 91 Cb 0.53 -2.02 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 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 -0.18 -2.19 3.47 0.62 0.00 -1.25 -4.74 105.19 100.92 1wki n GLY 92 Ca 0.48 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.31 2.12 0.18 1.61 1.51 -1.26 -1.48 117.35 119.72 1wki s TYR 93 Ca 0.00 -0.59 -0.05 0.00 -1.01 0.00 0.00 57.07 55.42 1wki s TYR 93 Cb 0.00 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1wki s TYR 93 CO 0.00 0.43 0.21 0.14 -1.11 0.00 0.00 175.55 175.23 1wki s VAL 94 N -2.82 0.04 -0.33 0.71 -7.23 -0.85 -3.68 120.40 106.24 1wki s VAL 94 Ca 0.30 -1.72 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1wki s VAL 94 Cb 0.02 -2.18 0.09 0.00 0.56 0.00 0.00 36.38 34.87 1wki s VAL 94 CO 0.13 -0.18 0.03 0.00 -0.31 0.00 0.00 175.10 174.77 1wki s ALA 95 N -4.06 2.86 0.20 1.32 0.00 0.12 -1.79 121.76 120.40 1wki s ALA 95 Ca 0.27 -2.35 -0.32 0.00 0.00 0.00 0.00 51.96 49.56 1wki s ALA 95 Cb 0.05 -1.94 -0.12 0.00 0.00 0.00 0.00 23.12 21.10 1wki s ALA 95 CO 0.06 -1.58 1.71 0.28 0.00 0.00 0.00 175.76 176.23 1wki n VAL 96 N 4.34 0.01 -4.36 0.00 0.31 -1.26 -2.66 118.33 114.71 1wki n VAL 96 Ca -0.01 -0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.13 1wki n VAL 96 Cb 0.42 -1.95 -0.10 0.00 -0.91 0.00 0.00 33.84 31.30 1wki n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wki s VAL 97 N 1.19 1.69 0.16 2.52 1.01 -0.69 -5.00 120.40 121.29 1wki s VAL 97 Ca 0.76 -2.19 0.05 0.00 0.00 0.00 0.00 61.98 60.60 1wki s VAL 97 Cb -0.52 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1wki s VAL 97 CO 0.33 -0.53 -0.11 -0.54 0.00 0.00 0.00 175.10 174.25 1wki s LYS 98 N -3.67 1.10 -0.18 2.72 1.02 -1.26 -3.10 119.74 116.38 1wki s LYS 98 Ca 0.24 -1.47 -0.34 0.00 0.02 0.00 0.00 55.97 54.42 1wki s LYS 98 Cb 0.00 -0.70 -0.11 0.00 -0.52 0.00 0.00 37.83 36.50 1wki s LYS 98 CO 0.08 0.09 2.00 -2.30 -0.92 0.00 0.00 175.35 174.30 1wki n PRO 99 N -0.23 1.83 0.00 -1.68 -0.02 -1.23 -2.16 135.00 131.51 1wki n PRO 99 Ca -0.10 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1wki n PRO 99 Cb 0.61 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 5.10 1.96 3.29 -1.23 0.00 0.32 -4.92 105.19 109.71 1wki n GLY 100 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.92 3.30 -0.62 1.61 3.00 -0.92 -2.36 118.95 122.04 1wki s ARG 101 Ca 0.00 -0.68 -0.28 0.00 -1.00 0.00 0.00 55.73 53.77 1wki s ARG 101 Cb 0.00 -2.81 0.03 0.00 0.00 0.00 0.00 34.95 32.17 1wki s ARG 101 CO 0.00 -0.08 1.20 0.08 0.00 0.00 0.00 175.30 176.50 1wki s VAL 102 N 1.12 3.96 -0.22 7.11 1.01 -1.26 -0.01 120.40 132.11 1wki s VAL 102 Ca 0.01 0.71 0.20 0.00 0.00 0.00 0.00 61.98 62.90 1wki s VAL 102 Cb -0.14 -4.77 0.00 0.00 0.00 0.00 0.00 36.38 31.47 1wki s VAL 102 CO -0.03 -1.48 1.07 0.24 0.00 0.00 0.00 175.10 174.91 1wki h MET 103 N 9.67 0.00 -4.28 2.72 0.00 -0.84 -3.44 114.93 118.76 1wki h MET 103 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 59.70 59.24 1wki h MET 103 Cb 1.06 0.00 -0.19 0.00 0.00 0.00 0.00 31.60 32.47 1wki h MET 103 CO 1.21 0.13 -0.71 -0.06 0.00 0.00 0.00 176.91 177.48 1wki s PHE 104 N -3.18 0.51 -0.18 -0.22 0.40 -1.17 -3.51 117.98 110.62 1wki s PHE 104 Ca -0.00 -0.68 -0.09 0.00 -0.60 0.00 0.00 56.93 55.56 1wki s PHE 104 Cb 0.09 -0.33 0.07 0.00 0.51 0.00 0.00 43.02 43.36 1wki s PHE 104 CO 0.78 -0.19 0.43 -1.21 0.70 0.00 0.00 175.22 175.72 1wki s GLU 105 N -2.29 0.38 0.14 0.44 8.01 -1.02 0.12 118.70 124.48 1wki s GLU 105 Ca -0.06 0.89 0.10 0.00 0.01 0.00 0.00 54.97 55.92 1wki s GLU 105 Cb -0.04 0.10 -0.04 0.00 -4.31 0.00 0.00 34.13 29.84 1wki s GLU 105 CO -0.03 -0.19 -0.23 0.14 0.01 0.00 0.00 175.26 174.97 1wki s VAL 106 N 1.82 2.52 -0.08 2.63 -7.23 -1.18 0.93 120.40 119.81 1wki s VAL 106 Ca -0.07 -1.73 -0.09 0.00 -1.81 0.00 0.00 61.98 58.27 1wki s VAL 106 Cb -0.09 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.71 1wki s VAL 106 CO -0.13 0.04 0.25 0.00 -0.31 0.00 0.00 175.10 174.95 1wki s ALA 107 N -1.26 -0.62 0.00 1.32 0.00 -1.19 -1.29 121.76 118.73 1wki s ALA 107 Ca 0.17 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1wki s ALA 107 Cb -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1wki s ALA 107 CO 0.09 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1wki n GLY 108 N 2.61 3.02 3.86 0.00 0.00 -1.26 -4.05 105.19 109.37 1wki n GLY 108 Ca -0.15 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.23 4.62 1.10 1.61 -7.23 -1.26 -5.03 120.40 111.97 1wki s VAL 109 Ca 0.00 1.05 -0.14 0.00 -1.81 0.00 0.00 61.98 61.08 1wki s VAL 109 Cb 0.00 -3.78 0.24 0.00 0.56 0.00 0.00 36.38 33.40 1wki s VAL 109 CO 0.00 -0.87 1.07 0.42 -0.31 0.00 0.00 175.10 175.41 1wki s THR 110 N -2.84 1.93 0.23 5.32 -4.23 -1.26 -4.69 115.64 110.10 1wki s THR 110 Ca 0.57 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 1wki s THR 110 Cb -0.10 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.43 1wki s THR 110 CO 0.40 0.00 1.66 -0.08 -0.54 0.00 0.00 174.62 176.06 1wki h GLU 111 N -2.27 0.75 -0.27 3.99 4.81 -1.97 0.32 114.58 119.94 1wki h GLU 111 Ca -0.56 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.36 1wki h GLU 111 Cb 1.33 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1wki h GLU 111 CO 0.52 0.88 0.04 0.93 -0.73 0.00 0.00 179.01 180.66 1wki h GLU 112 N 0.66 0.44 -0.03 1.92 5.08 -1.98 0.44 114.58 121.11 1wki h GLU 112 Ca 0.10 -0.12 -0.23 0.00 -1.00 0.00 0.00 59.36 58.11 1wki h GLU 112 Cb 0.68 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.89 1wki h GLU 112 CO 0.05 0.57 -0.91 1.96 -1.00 0.00 0.00 179.01 179.67 1wki h GLN 113 N 0.26 0.52 -0.06 2.33 4.20 -1.91 -2.25 115.11 118.20 1wki h GLN 113 Ca 0.08 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.24 1wki h GLN 113 Cb 0.34 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1wki h GLN 113 CO 0.01 1.16 -0.08 0.00 -0.67 0.00 0.00 178.83 179.24 1wki h ALA 114 N 0.67 0.09 -0.36 3.87 0.00 -0.31 0.10 119.26 123.33 1wki h ALA 114 Ca -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1wki h ALA 114 Cb 1.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1wki h ALA 114 CO 0.17 -0.08 0.16 0.52 0.00 0.00 0.00 179.25 180.02 1wki h MET 115 N -0.30 0.53 -0.09 0.00 2.86 -0.21 0.10 114.93 117.82 1wki h MET 115 Ca 0.01 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1wki h MET 115 Cb 0.61 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1wki h MET 115 CO 0.02 0.50 -0.00 1.49 1.06 0.00 0.00 176.91 179.97 1wki h GLU 116 N 0.44 0.16 -0.22 1.72 4.81 -1.46 -1.48 114.58 118.56 1wki h GLU 116 Ca 0.12 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1wki h GLU 116 Cb 0.16 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1wki h GLU 116 CO -0.01 0.43 0.06 0.00 -0.73 0.00 0.00 179.01 178.76 1wki h ALA 117 N 0.73 0.23 -0.20 2.92 0.00 -0.71 0.27 119.26 122.51 1wki h ALA 117 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wki h ALA 117 Cb 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wki h ALA 117 CO 0.01 -0.36 0.09 -0.07 0.00 0.00 0.00 179.25 178.91 1wki h LEU 118 N 0.15 0.23 -0.08 0.00 4.07 -0.78 -2.16 115.31 116.76 1wki h LEU 118 Ca 0.10 -0.01 -0.21 0.00 0.08 0.00 0.00 57.88 57.83 1wki h LEU 118 Cb 0.08 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 41.77 1wki h LEU 118 CO -0.11 0.21 -0.78 -0.09 -1.08 0.00 0.00 178.44 176.59 1wki h ARG 119 N 0.27 0.67 -0.97 1.13 2.43 -0.15 -3.05 114.38 114.70 1wki h ARG 119 Ca 0.07 -0.61 0.11 0.00 -0.81 0.00 0.00 59.98 58.74 1wki h ARG 119 Cb 0.04 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 1wki h ARG 119 CO -0.01 1.22 0.62 0.82 -1.51 0.00 0.00 179.97 181.11 1wki h ILE 120 N 0.33 0.93 -0.46 1.20 2.04 0.13 0.50 117.51 122.18 1wki h ILE 120 Ca -0.07 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1wki h ILE 120 Cb 1.43 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1wki h ILE 120 CO 0.16 0.17 0.04 0.00 0.00 0.00 0.00 178.15 178.52 1wki h ALA 121 N 1.54 0.62 0.00 1.87 0.00 -1.47 -2.81 119.26 119.01 1wki h ALA 121 Ca 0.47 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1wki h ALA 121 Cb 0.48 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wki h ALA 121 CO -0.23 0.38 -0.13 0.78 0.00 0.00 0.00 179.25 180.04 1wki h GLY 122 N 0.64 0.00 1.00 0.00 0.00 -1.10 -3.22 103.07 100.39 1wki h GLY 122 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1wki h GLY 122 CO 0.02 0.00 0.31 0.45 0.00 0.00 0.00 176.54 177.31 1wki h HIS 123 N 0.00 0.90 -0.01 5.60 -0.00 0.20 -1.80 115.15 120.05 1wki h HIS 123 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1wki h HIS 123 Cb 0.90 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1wki h HIS 123 CO 0.00 0.68 0.00 0.36 -0.00 0.00 0.00 177.93 178.97 1wki n LYS 124 N -4.50 1.27 -2.55 2.45 0.00 -1.20 -4.87 118.16 108.76 1wki n LYS 124 Ca 0.04 -0.40 -0.30 0.00 -0.00 0.00 0.00 58.31 57.66 1wki n LYS 124 Cb 0.12 -1.49 -0.02 0.00 -0.00 0.00 0.00 35.03 33.65 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 -1.99 3.64 -0.11 -5.58 1.43 -0.68 -4.97 118.68 110.42 1wki s LEU 125 Ca 0.44 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.79 1wki s LEU 125 Cb 0.21 -4.14 0.33 0.00 0.03 0.00 0.00 46.19 42.62 1wki s LEU 125 CO 0.35 -0.56 1.07 -0.81 0.23 0.00 0.00 176.35 176.63 1wki n PRO 126 N -1.86 2.43 -3.88 1.29 -0.04 -1.26 -4.88 135.00 126.81 1wki n PRO 126 Ca 0.03 -1.28 -0.10 0.00 -0.04 0.00 0.00 63.50 62.11 1wki n PRO 126 Cb 0.54 -1.76 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.66 0.06 0.20 0.52 -5.25 -1.26 -4.94 121.20 108.85 1wki s ILE 127 Ca 0.23 -1.17 -0.30 0.00 -0.99 0.00 0.00 60.65 58.42 1wki s ILE 127 Cb 0.18 -1.73 -0.08 0.00 2.95 0.00 0.00 42.46 43.78 1wki s ILE 127 CO 0.06 -0.25 0.98 -0.75 -1.79 0.00 0.00 174.94 173.20 1wki s LYS 128 N -3.93 4.75 -0.00 0.37 2.47 -1.26 -4.89 119.74 117.25 1wki s LYS 128 Ca 0.14 1.54 -0.02 0.00 -1.56 0.00 0.00 55.97 56.07 1wki s LYS 128 Cb 0.02 -3.30 -0.01 0.00 -1.46 0.00 0.00 37.83 33.08 1wki s LYS 128 CO -0.01 0.33 0.04 0.95 0.16 0.00 0.00 175.35 176.82 1wki s THR 129 N -0.69 0.06 0.14 3.43 -4.23 -1.26 0.10 115.64 113.20 1wki s THR 129 Ca 0.44 -0.50 0.05 0.00 -1.18 0.00 0.00 61.69 60.50 1wki s THR 129 Cb -0.26 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1wki s THR 129 CO 0.33 -0.28 -0.12 -1.59 -0.54 0.00 0.00 174.62 172.42 1wki s LYS 130 N -0.85 1.04 0.05 3.99 -2.85 -0.91 -4.95 119.74 115.27 1wki s LYS 130 Ca -0.09 -1.34 -0.22 0.00 -1.00 0.00 0.00 55.97 53.32 1wki s LYS 130 Cb -0.06 -0.78 -0.06 0.00 -2.06 0.00 0.00 37.83 34.87 1wki s LYS 130 CO -0.00 0.13 0.66 0.42 0.10 0.00 0.00 175.35 176.66 1wki s ILE 131 N -2.67 4.73 -0.09 3.79 -1.09 -1.26 -2.15 121.20 122.46 1wki s ILE 131 Ca 0.12 1.42 -0.10 0.00 -2.23 0.00 0.00 60.65 59.87 1wki s ILE 131 Cb -0.02 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1wki s ILE 131 CO 0.02 0.45 0.27 0.68 -1.23 0.00 0.00 174.94 175.13 1wki s VAL 132 N -0.53 0.01 0.71 2.92 -7.23 -0.59 -4.97 120.40 110.72 1wki s VAL 132 Ca 0.33 -0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.32 1wki s VAL 132 Cb -0.20 -0.40 0.02 0.00 0.56 0.00 0.00 36.38 36.37 1wki s VAL 132 CO 0.21 -0.04 1.08 -0.13 -0.31 0.00 0.00 175.10 175.91 1wki s ARG 133 N -0.05 2.71 -0.83 4.82 0.52 -1.25 0.12 118.95 125.00 1wki s ARG 133 Ca -0.02 0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 55.39 1wki s ARG 133 Cb -0.02 -2.05 -0.25 0.00 0.52 0.00 0.00 34.95 33.15 1wki s ARG 133 CO 0.01 -1.08 2.05 0.54 0.02 0.00 0.00 175.30 176.83 1wki n ARG 134 N -2.99 0.12 -3.12 3.54 5.12 0.33 0.70 116.66 120.35 1wki n ARG 134 Ca 0.07 -0.25 -0.14 0.00 -1.93 0.00 0.00 57.85 55.60 1wki n ARG 134 Cb 0.58 -1.68 0.06 0.00 -1.16 0.00 0.00 32.46 30.26 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1wki n ASP 135 N 8.71 -3.75 -4.07 0.55 2.03 -1.26 -5.00 116.55 113.76 1wki n ASP 135 Ca 0.53 -0.38 -0.35 0.00 0.52 0.00 0.00 54.79 55.12 1wki n ASP 135 Cb 0.26 -3.54 -0.12 0.00 -0.72 0.00 0.00 41.12 37.01 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wki s ALA 136 N -3.22 3.33 -0.17 -1.67 0.00 0.22 -5.06 121.76 115.18 1wki s ALA 136 Ca 0.23 -2.96 0.00 0.00 0.00 0.00 0.00 51.96 49.23 1wki s ALA 136 Cb -0.10 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 20.63 1wki s ALA 136 CO 0.48 -1.95 -0.08 0.71 0.00 0.00 0.00 175.76 174.92 1wki s TYR 137 N 0.38 1.99 0.20 0.00 1.51 -1.26 -3.82 117.35 116.35 1wki s TYR 137 Ca 0.14 -1.24 0.05 0.00 -1.01 0.00 0.00 57.07 55.01 1wki s TYR 137 Cb -0.22 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1wki s TYR 137 CO -0.04 -0.66 0.22 0.34 -1.11 0.00 0.00 175.55 174.31 1wki s ASP 138 N 1.54 5.79 -0.35 2.29 2.15 -1.26 -5.03 116.67 121.79 1wki s ASP 138 Ca 0.01 -0.09 -0.28 0.00 0.43 0.00 0.00 52.55 52.62 1wki s ASP 138 Cb -0.15 -1.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.86 1wki s ASP 138 CO -0.08 0.01 2.03 -1.61 -0.17 0.00 0.00 175.17 175.35 1wki s GLU 139 N -3.53 2.99 -0.60 4.34 2.02 -1.26 -4.93 118.70 117.73 1wki s GLU 139 Ca 0.33 1.51 -0.16 0.00 0.02 0.00 0.00 54.97 56.67 1wki s GLU 139 Cb -0.09 -4.34 0.14 0.00 0.10 0.00 0.00 34.13 29.94 1wki s GLU 139 CO 0.26 -2.27 0.60 0.00 0.02 0.00 0.00 175.26 173.87 1wki s ALA 140 N 8.44 3.66 -2.29 5.21 0.00 -1.26 -5.37 121.76 130.14 1wki s ALA 140 Ca 0.88 -2.59 0.30 0.00 0.00 0.00 0.00 51.96 50.54 1wki s ALA 140 Cb -0.24 -3.39 1.41 0.00 0.00 0.00 0.00 23.12 20.91 1wki s ALA 140 CO 0.31 -2.16 1.95 1.04 0.00 0.00 0.00 175.76 176.90