#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 -5.89 -4.28 4.03 7.99 -1.26 -5.03 117.00 112.57 1wki n LEU 2 Ca 0.00 2.95 -0.30 0.00 -0.01 0.00 0.00 56.01 58.65 1wki n LEU 2 Cb 0.00 -3.01 -0.16 0.00 -0.11 0.00 0.00 43.42 40.14 1wki n LEU 2 CO 0.00 -1.85 -0.55 -0.04 -1.51 0.00 0.00 177.39 173.43 1wki s MET 3 N -0.81 1.95 0.34 3.23 -1.94 -1.26 -5.13 119.30 115.69 1wki s MET 3 Ca 0.00 -0.86 -0.27 0.00 -1.71 0.00 0.00 55.69 52.86 1wki s MET 3 Cb 0.00 -1.88 -0.09 0.00 2.01 0.00 0.00 34.83 34.87 1wki s MET 3 CO 0.00 0.51 1.08 -1.25 -0.01 0.00 0.00 175.02 175.35 1wki s PRO 4 N -0.56 4.38 0.10 2.03 0.04 -1.26 -5.04 135.00 134.69 1wki s PRO 4 Ca 0.09 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.53 1wki s PRO 4 Cb -0.09 -2.85 0.08 0.00 0.04 0.00 0.00 34.50 31.67 1wki s PRO 4 CO -0.01 0.02 0.88 1.03 0.04 0.00 0.00 177.00 178.96 1wki s ARG 5 N -1.99 1.09 -0.01 4.56 1.81 -1.26 -5.14 118.95 118.01 1wki s ARG 5 Ca 0.51 -0.52 -0.30 0.00 -1.72 0.00 0.00 55.73 53.70 1wki s ARG 5 Cb -0.27 0.43 -0.03 0.00 -0.45 0.00 0.00 34.95 34.62 1wki s ARG 5 CO 0.34 -0.49 1.05 -0.98 -0.68 0.00 0.00 175.30 174.54 1wki s ARG 6 N -3.30 4.50 0.50 3.54 3.03 -1.26 -5.03 118.95 120.93 1wki s ARG 6 Ca 0.08 1.50 -0.17 0.00 2.03 0.00 0.00 55.73 59.18 1wki s ARG 6 Cb -0.01 -3.46 -0.08 0.00 -1.03 0.00 0.00 34.95 30.36 1wki s ARG 6 CO -0.03 -0.16 0.98 0.00 -1.13 0.00 0.00 175.30 174.95 1wki s MET 7 N 1.27 3.98 0.00 3.89 0.23 -1.26 -4.97 119.30 122.45 1wki s MET 7 Ca 0.53 0.97 0.00 0.00 -1.03 0.00 0.00 55.69 56.16 1wki s MET 7 Cb -0.23 -2.14 0.00 0.00 -1.53 0.00 0.00 34.83 30.93 1wki s MET 7 CO 0.26 -0.24 0.00 1.63 -2.03 0.00 0.00 175.02 174.64 1wki n LYS 8 N -1.46 0.00 -1.87 3.16 5.02 -1.26 -5.10 118.16 116.65 1wki n LYS 8 Ca 0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 1wki n LYS 8 Cb 0.54 -0.10 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1wki n LYS 8 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1wki s TYR 9 N -1.78 2.64 -0.32 2.13 -0.85 -1.26 -4.99 117.35 112.92 1wki s TYR 9 Ca 0.00 1.25 -0.06 0.00 -0.52 0.00 0.00 57.07 57.74 1wki s TYR 9 Cb 0.00 -3.91 0.03 0.00 0.38 0.00 0.00 41.96 38.45 1wki s TYR 9 CO 0.00 -2.73 0.09 0.50 -1.52 0.00 0.00 175.55 171.89 1wki s ARG 10 N -2.16 2.79 0.04 -3.49 3.00 -1.26 -4.89 118.95 112.98 1wki s ARG 10 Ca 0.55 -1.06 0.00 0.00 -1.00 0.00 0.00 55.73 54.22 1wki s ARG 10 Cb -0.44 -3.41 0.00 0.00 0.00 0.00 0.00 34.95 31.10 1wki s ARG 10 CO 0.59 -0.58 0.00 1.63 0.00 0.00 0.00 175.30 176.94 1wki n LYS 11 N 4.83 -5.18 -2.37 5.12 4.76 -1.26 -4.85 118.16 119.20 1wki n LYS 11 Ca -0.13 3.75 -0.43 0.00 -2.87 0.00 0.00 58.31 58.63 1wki n LYS 11 Cb 0.46 -4.61 -0.02 0.00 -1.84 0.00 0.00 35.03 29.01 1wki n LYS 11 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1wki s GLN 12 N -0.65 4.26 -0.14 1.97 -0.21 -1.26 -5.01 119.66 118.61 1wki s GLN 12 Ca 0.00 1.74 -0.16 0.00 0.02 0.00 0.00 55.36 56.96 1wki s GLN 12 Cb 0.00 -3.73 -0.04 0.00 1.00 0.00 0.00 33.01 30.24 1wki s GLN 12 CO 0.00 -0.66 0.39 -1.14 -2.12 0.00 0.00 175.29 171.76 1wki s GLN 13 N 3.20 4.29 1.36 2.91 2.00 -1.26 -4.96 119.66 127.20 1wki s GLN 13 Ca 0.57 0.27 0.00 0.00 -2.00 0.00 0.00 55.36 54.20 1wki s GLN 13 Cb -0.24 -3.44 0.00 0.00 0.80 0.00 0.00 33.01 30.13 1wki s GLN 13 CO 0.18 0.18 0.00 0.54 -0.50 0.00 0.00 175.29 175.70 1wki n ARG 14 N 3.68 -1.13 -3.94 1.67 1.74 -1.26 -4.60 116.66 112.83 1wki n ARG 14 Ca -0.09 0.74 -0.30 0.00 -0.77 0.00 0.00 57.85 57.43 1wki n ARG 14 Cb 0.52 -1.37 -0.14 0.00 -1.02 0.00 0.00 32.46 30.45 1wki n ARG 14 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1wki s GLY 15 N -6.44 2.45 0.26 -0.13 0.00 -1.26 -5.09 107.32 97.11 1wki s GLY 15 Ca 0.00 -3.29 0.07 0.00 0.00 0.00 0.00 44.72 41.50 1wki s GLY 15 CO 0.00 1.03 0.23 0.50 0.00 0.00 0.00 173.10 174.86 1wki s ARG 16 N -0.35 2.98 0.76 2.90 3.00 -1.26 -5.12 118.95 121.85 1wki s ARG 16 Ca 0.18 -1.03 -0.09 0.00 0.00 0.00 0.00 55.73 54.79 1wki s ARG 16 Cb -0.25 -2.60 0.08 0.00 0.00 0.00 0.00 34.95 32.18 1wki s ARG 16 CO -0.01 0.38 1.09 -0.51 0.00 0.00 0.00 175.30 176.24 1wki s LEU 17 N -3.88 2.74 0.22 2.53 2.01 -1.26 -5.00 118.68 116.04 1wki s LEU 17 Ca 0.34 0.48 0.12 0.00 0.01 0.00 0.00 54.13 55.07 1wki s LEU 17 Cb -0.08 -3.01 0.02 0.00 0.01 0.00 0.00 46.19 43.13 1wki s LEU 17 CO 0.26 -1.80 1.41 0.11 1.01 0.00 0.00 176.35 177.34 1wki h LYS 18 N -0.81 0.00 -0.92 1.70 1.79 -2.07 -3.39 116.57 112.87 1wki h LYS 18 Ca -0.44 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.67 1wki h LYS 18 Cb 1.31 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.70 1wki h LYS 18 CO 0.58 0.71 -0.78 0.41 -1.08 0.00 0.00 179.45 179.30 1wki n GLY 19 N 1.12 1.73 3.55 3.86 0.00 -1.26 -5.08 105.19 109.11 1wki n GLY 19 Ca 0.01 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.66 2.01 -0.11 4.61 0.00 -1.26 -4.70 121.76 121.64 1wki s ALA 20 Ca 0.31 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 51.87 1wki s ALA 20 Cb 0.27 -4.32 -0.12 0.00 0.00 0.00 0.00 23.12 18.96 1wki s ALA 20 CO -0.11 -4.08 0.00 0.25 0.00 0.00 0.00 175.76 171.82 1wki n THR 21 N 7.44 0.71 -4.12 0.00 -2.24 -1.26 -5.01 114.28 109.80 1wki n THR 21 Ca 0.25 -0.40 -0.17 0.00 -2.27 0.00 0.00 64.05 61.46 1wki n THR 21 Cb 0.53 -0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 67.83 1wki n THR 21 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1wki s LYS 22 N -2.25 0.49 -0.04 -0.78 0.00 -1.26 -5.01 119.74 110.89 1wki s LYS 22 Ca -0.08 -0.13 0.01 0.00 0.00 0.00 0.00 55.97 55.78 1wki s LYS 22 Cb 0.03 -0.51 0.04 0.00 0.00 0.00 0.00 37.83 37.39 1wki s LYS 22 CO 0.39 0.03 0.48 0.41 0.00 0.00 0.00 175.35 176.66 1wki n GLY 23 N 3.38 -0.21 0.02 0.59 0.00 -1.26 -5.00 105.19 102.71 1wki n GLY 23 Ca -0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.17 -0.22 1.28 -0.02 0.00 -1.26 -4.99 105.19 99.81 1wki n GLY 24 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1wki n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wki n ASP 25 N -2.01 0.00 -1.99 1.61 9.92 -1.26 -5.03 116.55 117.78 1wki n ASP 25 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1wki n ASP 25 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 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 -2.05 -4.60 -0.95 1.24 4.19 -1.26 -4.84 117.16 108.90 1wki n TYR 26 Ca 0.00 2.77 -0.31 0.00 3.31 0.00 0.00 57.90 63.66 1wki n TYR 26 Cb 0.00 -3.60 -0.01 0.00 0.49 0.00 0.00 39.34 36.22 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 1.75 0.88 -2.75 2.97 0.31 -1.26 -4.96 118.33 115.27 1wki n VAL 27 Ca 0.00 -0.35 -0.05 0.00 -0.01 0.00 0.00 64.34 63.93 1wki n VAL 27 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 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 -0.39 -1.92 0.00 3.52 0.00 -1.26 -4.92 120.51 115.54 1wki n ALA 28 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1wki n ALA 28 Cb 0.23 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 2.55 0.00 -3.77 0.00 3.72 -1.26 -5.05 117.46 113.66 1wki n PHE 29 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1wki n PHE 29 Cb 0.59 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 0.00 4.49 0.13 1.37 0.00 -1.26 -4.97 105.19 104.95 1wki n GLY 30 Ca 0.00 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 0.31 -1.38 1.61 3.32 -0.89 -3.42 116.42 115.96 1wki h ASP 31 Ca 0.00 -0.25 -0.52 0.00 0.02 0.00 0.00 57.03 56.27 1wki h ASP 31 Cb 0.00 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1wki h ASP 31 CO 0.00 0.48 -0.39 -0.31 -1.72 0.00 0.00 179.24 177.30 1wki s TYR 32 N -5.20 2.51 -0.25 4.55 2.02 -1.09 -0.49 117.35 119.40 1wki s TYR 32 Ca -0.14 -0.57 -0.19 0.00 -0.37 0.00 0.00 57.07 55.80 1wki s TYR 32 Cb 0.07 -2.09 0.07 0.00 -0.40 0.00 0.00 41.96 39.61 1wki s TYR 32 CO 0.72 -0.12 0.64 0.20 -1.57 0.00 0.00 175.55 175.43 1wki s GLY 33 N -4.11 -0.53 -0.45 0.71 0.00 0.30 -2.50 107.32 100.75 1wki s GLY 33 Ca 0.45 2.03 -0.21 0.00 0.00 0.00 0.00 44.72 46.99 1wki s GLY 33 CO 0.26 1.91 0.67 -2.27 0.00 0.00 0.00 173.10 173.67 1wki s LEU 34 N 0.95 4.50 0.00 0.66 1.98 -0.18 -1.41 118.68 125.18 1wki s LEU 34 Ca -0.05 -0.37 -0.05 0.00 -2.89 0.00 0.00 54.13 50.78 1wki s LEU 34 Cb -0.05 -2.73 -0.04 0.00 0.66 0.00 0.00 46.19 44.02 1wki s LEU 34 CO -0.08 -0.82 0.23 0.54 -1.89 0.00 0.00 176.35 174.32 1wki s VAL 35 N 2.90 5.37 -0.44 1.68 0.11 -0.98 -0.99 120.40 128.05 1wki s VAL 35 Ca 0.23 -0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.11 1wki s VAL 35 Cb -0.14 -3.55 0.04 0.00 -1.53 0.00 0.00 36.38 31.19 1wki s VAL 35 CO 0.19 0.33 0.42 0.00 -3.33 0.00 0.00 175.10 172.71 1wki s ALA 36 N -1.33 3.46 -1.75 1.54 0.00 0.01 -2.23 121.76 121.46 1wki s ALA 36 Ca 0.28 -1.71 0.24 0.00 0.00 0.00 0.00 51.96 50.77 1wki s ALA 36 Cb -0.13 -3.06 1.35 0.00 0.00 0.00 0.00 23.12 21.28 1wki s ALA 36 CO 0.18 -1.64 1.81 1.28 0.00 0.00 0.00 175.76 177.38 1wki n LEU 37 N 5.50 0.00 -3.92 0.00 4.77 0.20 0.58 117.00 124.13 1wki n LEU 37 Ca -0.09 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1wki n LEU 37 Cb 0.46 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1wki n LEU 37 CO 0.46 -0.03 -0.28 -0.70 -1.33 0.00 0.00 177.39 175.52 1wki s GLU 38 N -2.25 0.35 0.08 3.23 2.12 -1.22 -4.38 118.70 116.63 1wki s GLU 38 Ca 0.31 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.88 1wki s GLU 38 Cb 0.16 0.14 -0.06 0.00 0.26 0.00 0.00 34.13 34.63 1wki s GLU 38 CO 0.32 -0.07 1.18 -1.25 -0.54 0.00 0.00 175.26 174.89 1wki s PRO 39 N -1.27 4.46 0.29 4.30 0.04 -1.26 -4.37 135.00 137.19 1wki s PRO 39 Ca -0.14 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 1wki s PRO 39 Cb -0.08 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.14 1wki s PRO 39 CO 0.00 -0.20 0.64 0.00 0.04 0.00 0.00 177.00 177.48 1wki s ALA 40 N 0.81 -0.69 -0.40 8.56 0.00 -1.15 -4.94 121.76 123.95 1wki s ALA 40 Ca 0.57 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 1wki s ALA 40 Cb -0.29 0.91 0.07 0.00 0.00 0.00 0.00 23.12 23.81 1wki s ALA 40 CO 0.30 -0.95 0.22 -1.58 0.00 0.00 0.00 175.76 173.75 1wki s TRP 41 N -3.62 3.34 -0.26 0.00 0.51 -1.26 -1.60 118.94 116.04 1wki s TRP 41 Ca 0.17 -1.56 -0.26 0.00 -2.12 0.00 0.00 56.10 52.32 1wki s TRP 41 Cb -0.04 -2.80 0.00 0.00 -0.81 0.00 0.00 33.47 29.82 1wki s TRP 41 CO 0.09 -0.82 0.91 0.42 -0.51 0.00 0.00 176.95 177.04 1wki s ILE 42 N 1.40 4.74 0.91 2.03 -1.09 -1.02 -4.73 121.20 123.43 1wki s ILE 42 Ca 0.02 1.63 -0.14 0.00 -2.23 0.00 0.00 60.65 59.93 1wki s ILE 42 Cb -0.22 -4.21 0.15 0.00 -1.58 0.00 0.00 42.46 36.60 1wki s ILE 42 CO 0.02 -0.20 1.24 0.42 -1.23 0.00 0.00 174.94 175.19 1wki s THR 43 N 3.08 1.98 0.16 2.92 -4.23 -1.26 -0.06 115.64 118.22 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 -0.14 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.79 1wki s THR 43 CO 0.09 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.93 1wki h ALA 44 N -1.45 0.63 -0.93 3.99 0.00 -1.97 -2.74 119.26 116.79 1wki h ALA 44 Ca -0.46 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1wki h ALA 44 Cb 1.29 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1wki h ALA 44 CO 0.51 0.17 0.62 1.96 0.00 0.00 0.00 179.25 182.51 1wki h GLN 45 N 0.65 1.21 -0.53 0.00 1.08 -1.94 -2.08 115.11 113.51 1wki h GLN 45 Ca 0.17 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1wki h GLN 45 Cb 0.08 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.20 1wki h GLN 45 CO -0.03 0.80 0.35 1.96 -0.95 0.00 0.00 178.83 180.97 1wki h GLN 46 N 1.25 0.58 -0.01 1.46 1.08 -1.85 2.38 115.11 120.00 1wki h GLN 46 Ca 0.35 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 1wki h GLN 46 Cb -0.12 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.18 1wki h GLN 46 CO -0.08 0.39 -0.04 0.82 -0.95 0.00 0.00 178.83 178.97 1wki h ILE 47 N 0.60 1.47 0.08 2.54 2.04 -1.32 -2.84 117.51 120.07 1wki h ILE 47 Ca 0.21 -1.44 -0.17 0.00 1.00 0.00 0.00 64.86 64.46 1wki h ILE 47 Cb 0.10 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1wki h ILE 47 CO -0.05 0.38 -0.83 -0.08 0.00 0.00 0.00 178.15 177.57 1wki h GLU 48 N -0.53 0.16 -0.50 2.37 4.81 -1.17 -3.06 114.58 116.66 1wki h GLU 48 Ca -0.00 -0.27 0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1wki h GLU 48 Cb 0.64 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 1wki h GLU 48 CO 0.01 1.13 0.11 0.00 -0.73 0.00 0.00 179.01 179.53 1wki h ALA 49 N -0.06 0.57 -0.44 2.92 0.00 0.39 0.10 119.26 122.74 1wki h ALA 49 Ca -0.18 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1wki h ALA 49 Cb 1.45 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1wki h ALA 49 CO 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 179.25 178.92 1wki h ALA 50 N 1.38 0.60 -0.74 0.00 0.00 -1.56 -2.97 119.26 115.98 1wki h ALA 50 Ca 0.25 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1wki h ALA 50 Cb 0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1wki h ALA 50 CO -0.32 0.46 0.48 -0.09 0.00 0.00 0.00 179.25 179.79 1wki h ARG 51 N 0.66 0.94 -0.92 0.00 2.43 -1.28 -1.10 114.38 115.11 1wki h ARG 51 Ca 0.12 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1wki h ARG 51 Cb 0.59 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 1wki h ARG 51 CO 0.04 0.62 0.59 0.28 -1.51 0.00 0.00 179.97 179.99 1wki h VAL 52 N 0.97 1.12 -0.31 0.20 2.07 -0.90 0.32 116.25 119.72 1wki h VAL 52 Ca 0.28 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1wki h VAL 52 Cb -0.06 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.60 1wki h VAL 52 CO -0.08 0.20 -0.40 0.00 0.02 0.00 0.00 177.57 177.31 1wki h ALA 53 N 1.40 0.70 -0.10 1.67 0.00 -1.25 -2.79 119.26 118.88 1wki h ALA 53 Ca 0.38 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1wki h ALA 53 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1wki h ALA 53 CO -0.14 0.67 -0.17 0.52 0.00 0.00 0.00 179.25 180.13 1wki h MET 54 N 0.62 0.29 -0.57 0.00 2.07 -0.54 -2.79 114.93 114.02 1wki h MET 54 Ca 0.05 -0.18 0.08 0.00 -2.07 0.00 0.00 59.70 57.58 1wki h MET 54 Cb 0.96 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.67 1wki h MET 54 CO 0.09 0.76 0.38 0.28 1.07 0.00 0.00 176.91 179.49 1wki h VAL 55 N -0.15 0.92 0.00 -2.22 2.07 -0.41 -0.56 116.25 115.91 1wki h VAL 55 Ca 0.01 -0.15 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 1wki h VAL 55 Cb 0.74 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1wki h VAL 55 CO 0.04 0.08 -0.71 0.03 0.02 0.00 0.00 177.57 177.02 1wki h ARG 56 N 0.42 0.00 0.34 1.57 3.08 -1.46 -3.30 114.38 115.03 1wki h ARG 56 Ca 0.26 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1wki h ARG 56 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1wki h ARG 56 CO -0.07 0.71 -0.16 1.25 -1.07 0.00 0.00 179.97 180.63 1wki h HIS 57 N 0.00 -0.42 -1.03 3.04 2.76 -0.82 -3.40 115.15 115.28 1wki h HIS 57 Ca -0.01 -0.01 -0.38 0.00 -2.20 0.00 0.00 60.37 57.77 1wki h HIS 57 Cb 1.30 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.38 1wki h HIS 57 CO 0.00 -0.17 1.40 1.19 -1.30 0.00 0.00 177.93 179.04 1wki n PHE 58 N -5.23 1.16 0.06 5.26 3.72 -1.11 -4.77 117.46 116.56 1wki n PHE 58 Ca -0.10 0.13 0.01 0.00 -0.05 0.00 0.00 57.45 57.44 1wki n PHE 58 Cb 0.24 -2.49 0.33 0.00 -0.94 0.00 0.00 39.48 36.62 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 16.74 0.37 -1.05 -1.08 3.08 -1.88 -2.46 114.38 128.10 1wki h ARG 59 Ca -0.15 -0.09 -0.48 0.00 0.07 0.00 0.00 59.98 59.33 1wki h ARG 59 Cb 1.22 -0.05 -0.26 0.00 0.08 0.00 0.00 29.97 30.97 1wki h ARG 59 CO 1.20 0.48 0.61 0.54 -1.07 0.00 0.00 179.97 181.73 1wki n ARG 60 N -4.25 2.16 -0.89 0.04 5.12 -1.26 -5.02 116.66 112.56 1wki n ARG 60 Ca 0.00 -2.60 0.06 0.00 -1.93 0.00 0.00 57.85 53.38 1wki n ARG 60 Cb 0.28 -2.02 -0.04 0.00 -1.16 0.00 0.00 32.46 29.52 1wki n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wki n GLY 61 N -0.78 -3.27 3.63 -0.13 0.00 -0.93 -4.99 105.19 98.72 1wki n GLY 61 Ca 0.51 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 1wki n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wki s GLY 62 N -5.37 -0.03 -0.07 -0.02 0.00 -1.26 -4.67 107.32 95.89 1wki s GLY 62 Ca 0.00 2.50 0.04 0.00 0.00 0.00 0.00 44.72 47.26 1wki s GLY 62 CO 0.00 0.99 -0.20 -1.59 0.00 0.00 0.00 173.10 172.29 1wki s LYS 63 N -1.29 2.37 -0.09 2.90 -2.85 -1.24 -4.91 119.74 114.62 1wki s LYS 63 Ca 0.08 -0.73 0.01 0.00 -1.00 0.00 0.00 55.97 54.32 1wki s LYS 63 Cb -0.01 -1.91 -0.02 0.00 -2.06 0.00 0.00 37.83 33.82 1wki s LYS 63 CO -0.06 0.21 -0.10 0.42 0.10 0.00 0.00 175.35 175.92 1wki s ILE 64 N 0.21 3.38 -0.35 3.79 1.01 -1.26 -2.67 121.20 125.31 1wki s ILE 64 Ca -0.11 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 1wki s ILE 64 Cb -0.15 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 39.97 1wki s ILE 64 CO 0.05 0.56 0.14 -0.36 0.00 0.00 0.00 174.94 175.33 1wki s PHE 65 N -0.31 3.27 -0.00 3.97 0.40 0.17 -4.94 117.98 120.53 1wki s PHE 65 Ca 0.04 -1.36 -0.22 0.00 -0.60 0.00 0.00 56.93 54.78 1wki s PHE 65 Cb -0.13 -2.38 -0.05 0.00 0.51 0.00 0.00 43.02 40.97 1wki s PHE 65 CO 0.02 -0.73 0.66 0.42 0.70 0.00 0.00 175.22 176.29 1wki s ILE 66 N 1.43 4.88 -0.22 0.64 -1.09 -1.26 -2.18 121.20 123.40 1wki s ILE 66 Ca -0.00 1.38 0.13 0.00 -2.23 0.00 0.00 60.65 59.93 1wki s ILE 66 Cb -0.20 -4.00 0.45 0.00 -1.58 0.00 0.00 42.46 37.14 1wki s ILE 66 CO 0.03 0.38 1.35 0.54 -1.23 0.00 0.00 174.94 176.01 1wki n ARG 67 N 2.91 1.93 -4.67 2.79 1.74 0.11 -4.98 116.66 116.49 1wki n ARG 67 Ca -0.05 -3.01 -0.24 0.00 -0.77 0.00 0.00 57.85 53.77 1wki n ARG 67 Cb 0.51 -1.73 -0.16 0.00 -1.02 0.00 0.00 32.46 30.06 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1wki s ILE 68 N -3.08 1.21 0.00 0.55 -4.36 -1.26 -4.90 121.20 109.36 1wki s ILE 68 Ca 0.40 -0.57 0.02 0.00 -0.26 0.00 0.00 60.65 60.24 1wki s ILE 68 Cb 0.36 -1.06 -0.01 0.00 1.25 0.00 0.00 42.46 43.00 1wki s ILE 68 CO 0.01 0.36 -0.06 -0.36 0.24 0.00 0.00 174.94 175.13 1wki s PHE 69 N 0.27 0.57 -0.12 1.37 0.40 -1.26 -5.02 117.98 114.19 1wki s PHE 69 Ca -0.07 -0.15 -0.30 0.00 -0.60 0.00 0.00 56.93 55.81 1wki s PHE 69 Cb -0.12 -0.36 -0.02 0.00 0.51 0.00 0.00 43.02 43.03 1wki s PHE 69 CO 0.02 -0.02 1.17 -1.25 0.70 0.00 0.00 175.22 175.85 1wki s PRO 70 N -0.32 4.31 0.00 0.24 0.04 -1.26 -4.29 135.00 133.72 1wki s PRO 70 Ca 0.01 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1wki s PRO 70 Cb -0.03 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1wki s PRO 70 CO -0.00 -0.53 0.00 -3.47 0.04 0.00 0.00 177.00 173.04 1wki n ASP 71 N 5.74 0.17 -4.77 6.66 -0.08 -0.59 -4.76 116.55 118.92 1wki n ASP 71 Ca 0.12 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.01 1wki n ASP 71 Cb 0.46 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.92 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1wki s LYS 72 N -1.65 3.86 0.68 -0.67 3.01 -1.04 -4.78 119.74 119.15 1wki s LYS 72 Ca 0.00 2.02 -0.13 0.00 -1.01 0.00 0.00 55.97 56.85 1wki s LYS 72 Cb 0.00 -2.62 0.01 0.00 -1.01 0.00 0.00 37.83 34.21 1wki s LYS 72 CO 0.00 -0.54 1.09 -1.25 0.51 0.00 0.00 175.35 175.16 1wki s PRO 73 N -2.41 2.78 -0.48 -1.68 0.04 -1.26 -1.29 135.00 130.69 1wki s PRO 73 Ca 0.60 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.91 1wki s PRO 73 Cb -0.35 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.37 1wki s PRO 73 CO 0.44 -1.25 0.28 -0.47 0.04 0.00 0.00 177.00 176.04 1wki s TYR 74 N -2.59 2.32 -0.31 0.56 6.14 -1.07 -4.74 117.35 117.66 1wki s TYR 74 Ca 0.64 -2.66 0.03 0.00 0.64 0.00 0.00 57.07 55.72 1wki s TYR 74 Cb -0.18 -2.08 0.08 0.00 0.42 0.00 0.00 41.96 40.20 1wki s TYR 74 CO 0.46 -0.75 -0.01 0.95 0.64 0.00 0.00 175.55 176.83 1wki s THR 75 N 0.02 2.34 -0.84 4.34 -4.23 -1.26 -1.39 115.64 114.61 1wki s THR 75 Ca 0.19 -1.96 -0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1wki s THR 75 Cb -0.21 -2.54 0.21 0.00 1.34 0.00 0.00 72.50 71.30 1wki s THR 75 CO -0.03 -0.32 0.70 -0.54 -0.54 0.00 0.00 174.62 173.89 1wki s LYS 76 N 1.02 3.06 -0.43 3.99 1.02 -1.26 -5.00 119.74 122.16 1wki s LYS 76 Ca 0.01 -3.24 0.03 0.00 0.02 0.00 0.00 55.97 52.79 1wki s LYS 76 Cb -0.20 -3.83 0.12 0.00 -0.52 0.00 0.00 37.83 33.40 1wki s LYS 76 CO -0.06 -1.26 0.17 0.15 -0.92 0.00 0.00 175.35 173.43 1wki s LYS 77 N -1.29 1.55 0.00 1.68 3.01 -1.26 -5.00 119.74 118.43 1wki s LYS 77 Ca 0.26 -2.10 -0.13 0.00 -1.01 0.00 0.00 55.97 52.99 1wki s LYS 77 Cb -0.08 -2.95 -0.07 0.00 -1.01 0.00 0.00 37.83 33.72 1wki s LYS 77 CO -0.13 -1.05 0.83 -1.35 0.51 0.00 0.00 175.35 174.16 1wki h PRO 78 N 7.07 -0.44 -6.88 -1.68 0.11 -2.08 -3.45 132.00 124.65 1wki h PRO 78 Ca -0.06 0.03 -0.47 0.00 0.11 0.00 0.00 66.00 65.61 1wki h PRO 78 Cb 0.95 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1wki h PRO 78 CO 0.57 -0.29 0.24 -1.17 -0.21 0.00 0.00 178.00 177.14 1wki s LEU 79 N -6.86 4.08 -0.03 2.35 0.20 -1.26 -5.08 118.68 112.08 1wki s LEU 79 Ca -0.07 1.56 -0.01 0.00 0.69 0.00 0.00 54.13 56.31 1wki s LEU 79 Cb 0.01 -4.22 0.03 0.00 -0.43 0.00 0.00 46.19 41.58 1wki s LEU 79 CO 0.20 -0.23 0.07 -1.83 -0.29 0.00 0.00 176.35 174.27 1wki s GLU 80 N -2.82 0.01 0.12 1.98 -1.05 -1.26 -5.14 118.70 110.54 1wki s GLU 80 Ca 0.56 0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 55.32 1wki s GLU 80 Cb -0.12 -0.21 -0.06 0.00 -0.44 0.00 0.00 34.13 33.30 1wki s GLU 80 CO 0.17 -0.16 1.08 0.08 0.95 0.00 0.00 175.26 177.38 1wki s VAL 81 N 1.04 4.17 0.36 1.83 1.01 -1.26 -4.94 120.40 122.61 1wki s VAL 81 Ca -0.08 1.74 0.03 0.00 0.00 0.00 0.00 61.98 63.67 1wki s VAL 81 Cb -0.12 -4.11 0.27 0.00 0.00 0.00 0.00 36.38 32.42 1wki s VAL 81 CO -0.04 0.24 2.01 0.08 0.00 0.00 0.00 175.10 177.39 1wki h ARG 82 N 5.79 0.77 -0.19 2.72 0.11 -2.07 -1.38 114.38 120.14 1wki h ARG 82 Ca -0.43 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 59.59 1wki h ARG 82 Cb 1.21 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 1wki h ARG 82 CO 0.74 0.51 0.06 1.98 0.10 0.00 0.00 179.97 183.36 1wki h MET 83 N 0.79 0.25 -0.16 0.08 4.05 -2.07 -3.48 114.93 114.39 1wki h MET 83 Ca 0.23 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1wki h MET 83 Cb -0.05 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 1wki h MET 83 CO -0.05 0.23 0.00 0.41 0.23 0.00 0.00 176.91 177.73 1wki n GLY 84 N -1.33 -0.72 0.14 1.39 0.00 -0.52 -4.91 105.19 99.24 1wki n GLY 84 Ca -0.00 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.01 1wki n GLY 84 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wki h LYS 85 N 0.00 0.00 0.00 1.61 1.63 -1.94 -3.50 116.57 114.37 1wki h LYS 85 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wki h LYS 85 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1wki h LYS 85 CO 0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1wki n GLY 86 N 1.21 0.82 0.05 5.01 0.00 -1.26 -4.82 105.19 106.20 1wki n GLY 86 Ca 0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 1wki n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 87 N 0.00 1.99 0.00 1.61 5.02 -1.26 -5.13 118.16 120.39 1wki n LYS 87 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1wki n LYS 87 Cb 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 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 2.48 2.02 3.53 0.72 0.00 -1.26 -5.04 105.19 107.64 1wki n GLY 88 Ca -0.17 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.02 5.23 0.27 1.61 2.47 -1.26 -5.09 114.94 118.15 1wki s ASN 89 Ca 0.00 -0.08 -0.30 0.00 0.42 0.00 0.00 52.86 52.91 1wki s ASN 89 Cb 0.00 -1.90 -0.09 0.00 -1.45 0.00 0.00 41.25 37.80 1wki s ASN 89 CO 0.00 0.10 1.05 0.54 -3.72 0.00 0.00 177.10 175.07 1wki s VAL 90 N 0.80 3.68 -0.70 -5.21 0.11 -1.26 -4.94 120.40 112.87 1wki s VAL 90 Ca 0.02 1.69 -0.05 0.00 -2.93 0.00 0.00 61.98 60.71 1wki s VAL 90 Cb -0.14 -4.07 0.04 0.00 -1.53 0.00 0.00 36.38 30.68 1wki s VAL 90 CO 0.02 0.40 2.75 -0.62 -3.33 0.00 0.00 175.10 174.32 1wki n GLU 91 N 1.27 3.05 -0.98 1.54 -0.58 -0.49 -4.97 120.64 119.48 1wki n GLU 91 Ca -0.01 -2.54 0.13 0.00 -0.42 0.00 0.00 57.16 54.32 1wki n GLU 91 Cb 0.46 -2.29 -0.04 0.00 -0.57 0.00 0.00 31.44 28.99 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 1.36 -2.24 3.98 0.62 0.00 -1.26 -4.70 105.19 102.95 1wki n GLY 92 Ca 0.53 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.59 3.28 0.25 1.61 2.02 -1.26 -2.61 117.35 118.04 1wki s TYR 93 Ca 0.00 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1wki s TYR 93 Cb 0.00 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 1wki s TYR 93 CO 0.00 0.20 0.16 0.14 -1.57 0.00 0.00 175.55 174.48 1wki s VAL 94 N -2.09 0.09 -0.32 0.71 -7.23 -0.42 -3.93 120.40 107.23 1wki s VAL 94 Ca 0.40 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1wki s VAL 94 Cb -0.09 -2.51 0.09 0.00 0.56 0.00 0.00 36.38 34.42 1wki s VAL 94 CO 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 175.11 1wki s ALA 95 N -3.90 2.78 0.19 1.32 0.00 0.91 -1.54 121.76 121.51 1wki s ALA 95 Ca 0.39 -2.33 -0.32 0.00 0.00 0.00 0.00 51.96 49.70 1wki s ALA 95 Cb 0.06 -1.87 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 1wki s ALA 95 CO 0.16 -1.57 1.67 0.08 0.00 0.00 0.00 175.76 176.10 1wki s VAL 96 N 0.97 2.28 0.23 0.00 1.01 -1.26 -2.43 120.40 121.20 1wki s VAL 96 Ca 0.06 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.30 1wki s VAL 96 Cb -0.19 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1wki s VAL 96 CO -0.08 0.01 -0.10 -0.69 0.00 0.00 0.00 175.10 174.25 1wki s VAL 97 N 1.23 1.63 0.15 2.92 1.01 -0.63 -4.99 120.40 121.73 1wki s VAL 97 Ca 0.73 -2.16 0.05 0.00 0.00 0.00 0.00 61.98 60.60 1wki s VAL 97 Cb -0.47 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1wki s VAL 97 CO 0.32 -0.47 -0.11 -0.54 0.00 0.00 0.00 175.10 174.30 1wki s LYS 98 N -3.70 1.09 -0.14 2.72 -0.14 -1.26 -2.96 119.74 115.36 1wki s LYS 98 Ca 0.25 -1.45 -0.37 0.00 -1.36 0.00 0.00 55.97 53.05 1wki s LYS 98 Cb 0.02 -0.71 -0.14 0.00 -1.68 0.00 0.00 37.83 35.32 1wki s LYS 98 CO 0.09 0.10 1.77 -2.30 -0.76 0.00 0.00 175.35 174.25 1wki n PRO 99 N -0.16 1.70 -0.73 -1.68 -0.02 -1.22 -2.11 135.00 130.78 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 0.60 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 4.14 1.34 3.30 -1.23 0.00 0.20 -4.92 105.19 108.02 1wki n GLY 100 Ca 0.24 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1wki n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wki s ARG 101 N -1.97 3.19 -0.61 1.61 1.81 -0.90 -4.47 118.95 117.61 1wki s ARG 101 Ca 0.00 -0.76 -0.28 0.00 -1.72 0.00 0.00 55.73 52.97 1wki s ARG 101 Cb 0.00 -3.12 0.03 0.00 -0.45 0.00 0.00 34.95 31.41 1wki s ARG 101 CO 0.00 -0.31 1.26 0.08 -0.68 0.00 0.00 175.30 175.65 1wki s VAL 102 N 1.46 3.90 -0.12 3.52 1.01 -1.26 -0.81 120.40 128.09 1wki s VAL 102 Ca 0.04 0.75 0.17 0.00 0.00 0.00 0.00 61.98 62.94 1wki s VAL 102 Cb -0.16 -4.71 -0.22 0.00 0.00 0.00 0.00 36.38 31.30 1wki s VAL 102 CO -0.02 -1.42 0.49 1.15 0.00 0.00 0.00 175.10 175.30 1wki n MET 103 N 8.70 0.65 -4.43 2.72 0.00 -0.16 -4.66 117.12 119.94 1wki n MET 103 Ca 0.08 0.09 -0.22 0.00 0.00 0.00 0.00 57.70 57.66 1wki n MET 103 Cb 0.49 -1.66 -0.10 0.00 0.00 0.00 0.00 33.22 31.94 1wki n MET 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1wki s PHE 104 N -2.81 2.00 -0.30 3.17 0.40 -1.15 -0.71 117.98 118.57 1wki s PHE 104 Ca -0.06 -0.59 -0.09 0.00 -0.60 0.00 0.00 56.93 55.58 1wki s PHE 104 Cb 0.08 -1.06 0.17 0.00 0.51 0.00 0.00 43.02 42.72 1wki s PHE 104 CO 0.83 0.40 0.80 -1.21 0.70 0.00 0.00 175.22 176.74 1wki s GLU 105 N -3.66 0.42 0.43 0.44 8.01 -0.93 -1.01 118.70 122.40 1wki s GLU 105 Ca 0.28 0.91 0.05 0.00 0.01 0.00 0.00 54.97 56.23 1wki s GLU 105 Cb 0.01 0.53 0.01 0.00 -4.31 0.00 0.00 34.13 30.37 1wki s GLU 105 CO 0.12 -0.30 0.60 0.14 0.01 0.00 0.00 175.26 175.82 1wki s VAL 106 N 2.78 3.37 -0.28 2.63 -7.23 -1.04 0.43 120.40 121.06 1wki s VAL 106 Ca 0.04 -0.86 -0.23 0.00 -1.81 0.00 0.00 61.98 59.12 1wki s VAL 106 Cb -0.11 -3.18 0.12 0.00 0.56 0.00 0.00 36.38 33.77 1wki s VAL 106 CO -0.18 -0.09 0.99 0.00 -0.31 0.00 0.00 175.10 175.52 1wki s ALA 107 N -2.41 -2.01 0.00 1.32 0.00 -1.09 -0.14 121.76 117.43 1wki s ALA 107 Ca 0.52 1.96 0.00 0.00 0.00 0.00 0.00 51.96 54.44 1wki s ALA 107 Cb -0.10 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1wki s ALA 107 CO 0.34 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1wki n GLY 108 N 2.55 0.74 3.58 0.00 0.00 -1.26 -3.68 105.19 107.12 1wki n GLY 108 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.37 2.23 0.89 1.61 -7.23 -1.26 -4.87 120.40 109.40 1wki s VAL 109 Ca 0.00 -2.11 -0.12 0.00 -1.81 0.00 0.00 61.98 57.94 1wki s VAL 109 Cb 0.00 -2.76 0.13 0.00 0.56 0.00 0.00 36.38 34.31 1wki s VAL 109 CO 0.00 -0.15 1.12 0.42 -0.31 0.00 0.00 175.10 176.19 1wki s THR 110 N -2.62 2.28 0.20 5.32 -4.23 -1.26 -4.79 115.64 110.54 1wki s THR 110 Ca 0.34 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.87 1wki s THR 110 Cb 0.04 -2.81 0.07 0.00 1.34 0.00 0.00 72.50 71.14 1wki s THR 110 CO 0.17 -0.12 1.66 -0.08 -0.54 0.00 0.00 174.62 175.72 1wki h GLU 111 N -1.43 0.96 -0.45 3.99 4.81 -2.01 0.27 114.58 120.72 1wki h GLU 111 Ca -0.50 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 58.39 1wki h GLU 111 Cb 1.32 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1wki h GLU 111 CO 0.61 0.98 0.17 0.93 -0.73 0.00 0.00 179.01 180.96 1wki h GLU 112 N 0.88 0.69 -0.04 1.92 4.39 -1.98 0.57 114.58 121.00 1wki h GLU 112 Ca 0.15 -0.13 -0.24 0.00 0.34 0.00 0.00 59.36 59.48 1wki h GLU 112 Cb 0.57 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1wki h GLU 112 CO 0.03 0.64 -0.93 1.96 -1.16 0.00 0.00 179.01 179.55 1wki h GLN 113 N 0.59 0.62 -0.08 2.33 1.08 -1.91 -2.19 115.11 115.56 1wki h GLN 113 Ca 0.15 -0.61 -0.03 0.00 -1.45 0.00 0.00 58.65 56.71 1wki h GLN 113 Cb 0.22 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1wki h GLN 113 CO -0.01 1.22 -0.07 0.00 -0.95 0.00 0.00 178.83 179.02 1wki h ALA 114 N 0.58 0.11 -0.38 3.87 0.00 -0.35 0.78 119.26 123.86 1wki h ALA 114 Ca -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1wki h ALA 114 Cb 1.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1wki h ALA 114 CO 0.18 -0.08 0.15 0.52 0.00 0.00 0.00 179.25 180.02 1wki h MET 115 N -0.24 0.58 -0.07 0.00 2.86 0.05 -0.23 114.93 117.88 1wki h MET 115 Ca 0.01 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1wki h MET 115 Cb 0.58 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1wki h MET 115 CO 0.02 0.55 -0.02 1.49 1.06 0.00 0.00 176.91 180.01 1wki h GLU 116 N 0.47 0.13 -0.26 1.72 4.81 -1.44 -2.12 114.58 117.88 1wki h GLU 116 Ca 0.13 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1wki h GLU 116 Cb 0.20 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1wki h GLU 116 CO -0.01 0.47 0.05 0.00 -0.73 0.00 0.00 179.01 178.79 1wki h ALA 117 N 0.66 0.27 0.00 2.92 0.00 -0.79 0.48 119.26 122.79 1wki h ALA 117 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wki h ALA 117 Cb 0.42 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wki h ALA 117 CO 0.01 -0.37 -0.02 -0.07 0.00 0.00 0.00 179.25 178.80 1wki h LEU 118 N 0.14 0.00 -0.16 0.00 4.07 -1.04 -1.59 115.31 116.74 1wki h LEU 118 Ca 0.12 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.88 1wki h LEU 118 Cb 0.13 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.88 1wki h LEU 118 CO -0.16 0.02 -0.69 0.03 -1.08 0.00 0.00 178.44 176.55 1wki h ARG 119 N 0.00 0.74 -0.88 1.13 3.08 -0.43 -3.03 114.38 114.99 1wki h ARG 119 Ca -0.00 -0.59 0.06 0.00 0.07 0.00 0.00 59.98 59.52 1wki h ARG 119 Cb 0.03 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 1wki h ARG 119 CO 0.00 1.21 0.57 0.82 -1.07 0.00 0.00 179.97 181.50 1wki h ILE 120 N 0.46 1.07 -0.33 2.04 2.04 0.02 0.35 117.51 123.16 1wki h ILE 120 Ca -0.04 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 1wki h ILE 120 Cb 1.32 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1wki h ILE 120 CO 0.14 0.18 0.08 0.00 0.00 0.00 0.00 178.15 178.56 1wki h ALA 121 N 1.52 0.43 0.00 1.87 0.00 -1.43 -2.82 119.26 118.83 1wki h ALA 121 Ca 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1wki h ALA 121 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wki h ALA 121 CO -0.13 0.10 -0.08 0.78 0.00 0.00 0.00 179.25 179.92 1wki h GLY 122 N 0.38 0.00 1.10 0.00 0.00 -1.27 -3.20 103.07 100.07 1wki h GLY 122 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1wki h GLY 122 CO 0.00 0.00 0.50 0.84 0.00 0.00 0.00 176.54 177.89 1wki h HIS 123 N 0.00 0.89 -0.17 5.60 6.17 -0.06 -0.19 115.15 127.40 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 0.87 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.50 1wki h HIS 123 CO 0.00 0.51 0.00 0.36 0.71 0.00 0.00 177.93 179.51 1wki n LYS 124 N -4.46 1.90 -2.71 5.26 0.00 -1.21 -4.92 118.16 112.02 1wki n LYS 124 Ca 0.10 -1.35 -0.31 0.00 -0.00 0.00 0.00 58.31 56.76 1wki n LYS 124 Cb 0.14 -1.44 -0.03 0.00 -0.00 0.00 0.00 35.03 33.70 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 -1.67 3.76 -0.09 -5.58 1.43 -0.08 -4.97 118.68 111.47 1wki s LEU 125 Ca 0.34 1.25 0.05 0.00 -1.03 0.00 0.00 54.13 54.74 1wki s LEU 125 Cb 0.19 -4.16 0.30 0.00 0.03 0.00 0.00 46.19 42.55 1wki s LEU 125 CO 0.29 -0.46 0.99 -0.81 0.23 0.00 0.00 176.35 176.58 1wki n PRO 126 N -1.41 2.36 -3.91 1.29 -0.04 -1.26 -4.88 135.00 127.14 1wki n PRO 126 Ca 0.04 -1.15 -0.09 0.00 -0.04 0.00 0.00 63.50 62.25 1wki n PRO 126 Cb 0.54 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.61 0.03 0.27 0.52 -5.25 -1.26 -4.94 121.20 108.95 1wki s ILE 127 Ca 0.20 -1.22 -0.30 0.00 -0.99 0.00 0.00 60.65 58.34 1wki s ILE 127 Cb 0.15 -1.91 -0.09 0.00 2.95 0.00 0.00 42.46 43.56 1wki s ILE 127 CO 0.06 -0.13 1.08 -0.54 -1.79 0.00 0.00 174.94 173.62 1wki s LYS 128 N -3.96 4.67 0.04 0.37 -0.14 -1.26 -4.93 119.74 114.52 1wki s LYS 128 Ca 0.17 1.75 -0.06 0.00 -1.36 0.00 0.00 55.97 56.48 1wki s LYS 128 Cb 0.00 -3.21 -0.01 0.00 -1.68 0.00 0.00 37.83 32.94 1wki s LYS 128 CO 0.03 0.25 0.10 0.95 -0.76 0.00 0.00 175.35 175.92 1wki s THR 129 N -1.10 0.13 0.10 2.17 -4.23 -1.26 0.59 115.64 112.04 1wki s THR 129 Ca 0.44 -1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1wki s THR 129 Cb -0.31 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 1wki s THR 129 CO 0.39 -0.59 0.02 -1.59 -0.54 0.00 0.00 174.62 172.32 1wki s LYS 130 N -2.54 0.80 -0.11 3.99 -2.85 -0.95 -4.95 119.74 113.14 1wki s LYS 130 Ca -0.05 -1.35 -0.19 0.00 -1.00 0.00 0.00 55.97 53.38 1wki s LYS 130 Cb -0.02 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 1wki s LYS 130 CO -0.04 -0.20 0.50 0.42 0.10 0.00 0.00 175.35 176.13 1wki s ILE 131 N -4.00 5.16 -0.01 3.79 -1.09 -1.26 -2.32 121.20 121.47 1wki s ILE 131 Ca 0.17 1.01 0.01 0.00 -2.23 0.00 0.00 60.65 59.62 1wki s ILE 131 Cb 0.08 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1wki s ILE 131 CO -0.03 0.33 -0.05 0.68 -1.23 0.00 0.00 174.94 174.64 1wki s VAL 132 N 0.59 0.43 0.45 2.92 -7.23 -0.50 -4.93 120.40 112.13 1wki s VAL 132 Ca 0.27 -0.18 0.02 0.00 -1.81 0.00 0.00 61.98 60.28 1wki s VAL 132 Cb -0.15 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.39 1wki s VAL 132 CO 0.11 0.14 0.65 -0.60 -0.31 0.00 0.00 175.10 175.10 1wki s ARG 133 N 0.18 2.95 -0.82 4.82 3.52 -1.09 0.11 118.95 128.62 1wki s ARG 133 Ca -0.02 -0.69 -0.13 0.00 -0.13 0.00 0.00 55.73 54.77 1wki s ARG 133 Cb -0.06 -2.60 -0.24 0.00 -1.56 0.00 0.00 34.95 30.49 1wki s ARG 133 CO -0.00 -0.30 2.05 0.54 -0.81 0.00 0.00 175.30 176.77 1wki n ARG 134 N -2.04 0.13 -1.93 5.12 1.74 0.36 0.12 116.66 120.15 1wki n ARG 134 Ca 0.03 -0.29 -0.05 0.00 -0.77 0.00 0.00 57.85 56.78 1wki n ARG 134 Cb 0.58 -1.77 -0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wki n ASP 135 N 9.17 -2.30 -4.06 0.55 -0.08 -1.26 -5.02 116.55 113.55 1wki n ASP 135 Ca 0.52 0.01 -0.34 0.00 -1.51 0.00 0.00 54.79 53.48 1wki n ASP 135 Cb 0.27 -1.46 -0.12 0.00 2.34 0.00 0.00 41.12 42.16 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wki s ALA 136 N -2.22 3.29 -0.25 -1.67 0.00 0.32 -5.05 121.76 116.17 1wki s ALA 136 Ca 0.00 -2.92 0.01 0.00 0.00 0.00 0.00 51.96 49.04 1wki s ALA 136 Cb 0.00 -2.38 0.07 0.00 0.00 0.00 0.00 23.12 20.81 1wki s ALA 136 CO 0.00 -1.93 -0.02 0.71 0.00 0.00 0.00 175.76 174.52 1wki s TYR 137 N 0.42 2.34 -0.21 0.00 1.51 -1.26 -2.67 117.35 117.49 1wki s TYR 137 Ca 0.13 -1.80 -0.25 0.00 -1.01 0.00 0.00 57.07 54.14 1wki s TYR 137 Cb -0.22 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1wki s TYR 137 CO -0.04 -0.79 0.85 0.34 -1.11 0.00 0.00 175.55 174.80 1wki s ASP 138 N 1.41 6.91 0.51 2.29 2.15 -1.26 -5.04 116.67 123.64 1wki s ASP 138 Ca -0.02 1.12 -0.18 0.00 0.43 0.00 0.00 52.55 53.89 1wki s ASP 138 Cb -0.19 -2.45 -0.07 0.00 -0.30 0.00 0.00 42.92 39.91 1wki s ASP 138 CO -0.08 -0.48 1.02 -1.61 -0.17 0.00 0.00 175.17 173.85 1wki s GLU 139 N 2.59 3.74 -0.36 4.34 2.02 -1.26 -5.04 118.70 124.74 1wki s GLU 139 Ca 0.37 1.22 -0.05 0.00 0.02 0.00 0.00 54.97 56.53 1wki s GLU 139 Cb -0.16 -2.09 0.06 0.00 0.10 0.00 0.00 34.13 32.04 1wki s GLU 139 CO 0.09 -0.46 0.13 0.00 0.02 0.00 0.00 175.26 175.05 1wki s ALA 140 N -2.24 3.07 0.00 5.21 0.00 -1.26 -5.34 121.76 121.20 1wki s ALA 140 Ca 0.64 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1wki s ALA 140 Cb -0.14 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1wki s ALA 140 CO 0.26 -1.49 0.00 1.04 0.00 0.00 0.00 175.76 175.57