#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 0.00 -4.02 4.03 -0.00 -1.26 -5.09 117.00 110.66 1wki n LEU 2 Ca 0.00 -0.72 -0.33 0.00 -0.00 0.00 0.00 56.01 54.95 1wki n LEU 2 Cb 0.00 -0.07 -0.11 0.00 -0.00 0.00 0.00 43.42 43.24 1wki n LEU 2 CO 0.00 -0.47 0.03 -0.04 -0.00 0.00 0.00 177.39 176.91 1wki s MET 3 N -2.67 2.54 0.00 1.47 -1.94 -1.26 -5.09 119.30 112.34 1wki s MET 3 Ca 0.13 -2.85 0.00 0.00 -1.71 0.00 0.00 55.69 51.26 1wki s MET 3 Cb -0.01 -3.61 0.00 0.00 2.01 0.00 0.00 34.83 33.22 1wki s MET 3 CO 0.08 -1.20 0.00 -2.30 -0.01 0.00 0.00 175.02 171.60 1wki n PRO 4 N 2.88 0.98 -2.48 2.03 -0.02 -1.26 -4.86 135.00 132.27 1wki n PRO 4 Ca 0.12 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.56 1wki n PRO 4 Cb 0.36 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.81 1wki n PRO 4 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1wki n ARG 5 N -0.17 -4.82 -3.35 -0.52 3.00 -1.26 -5.08 116.66 104.46 1wki n ARG 5 Ca 0.00 3.58 0.03 0.00 -0.00 0.00 0.00 57.85 61.45 1wki n ARG 5 Cb 0.00 -4.90 -0.05 0.00 0.00 0.00 0.00 32.46 27.51 1wki n ARG 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1wki s ARG 6 N -0.66 0.08 -0.60 -0.14 1.70 -1.26 -5.12 118.95 112.95 1wki s ARG 6 Ca -0.17 0.18 -0.24 0.00 -0.47 0.00 0.00 55.73 55.03 1wki s ARG 6 Cb 0.01 0.09 0.05 0.00 -0.57 0.00 0.00 34.95 34.53 1wki s ARG 6 CO 0.47 -0.02 0.98 1.41 -1.08 0.00 0.00 175.30 177.05 1wki s MET 7 N 1.80 3.24 -0.47 3.89 1.75 -1.26 -4.90 119.30 123.35 1wki s MET 7 Ca -0.02 -0.46 0.06 0.00 -1.25 0.00 0.00 55.69 54.01 1wki s MET 7 Cb -0.02 -4.12 0.19 0.00 2.84 0.00 0.00 34.83 33.72 1wki s MET 7 CO -0.15 -1.65 0.59 1.63 -0.65 0.00 0.00 175.02 174.79 1wki n LYS 8 N 7.70 0.45 -4.25 4.11 4.76 -1.26 -5.14 118.16 124.53 1wki n LYS 8 Ca -0.00 -2.49 -0.17 0.00 -2.87 0.00 0.00 58.31 52.78 1wki n LYS 8 Cb 0.47 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 32.03 1wki n LYS 8 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1wki s TYR 9 N 0.43 1.37 0.02 2.13 6.14 -1.26 -5.15 117.35 121.03 1wki s TYR 9 Ca 0.32 -0.61 -0.13 0.00 0.64 0.00 0.00 57.07 57.29 1wki s TYR 9 Cb 0.05 -0.70 -0.06 0.00 0.42 0.00 0.00 41.96 41.67 1wki s TYR 9 CO -0.13 0.14 0.39 0.50 0.64 0.00 0.00 175.55 177.09 1wki s ARG 10 N -3.00 3.84 0.79 4.97 3.52 -1.26 -5.07 118.95 122.73 1wki s ARG 10 Ca 0.11 0.31 -0.12 0.00 -0.13 0.00 0.00 55.73 55.91 1wki s ARG 10 Cb -0.03 -3.14 0.07 0.00 -1.56 0.00 0.00 34.95 30.29 1wki s ARG 10 CO 0.03 0.65 1.12 0.15 -0.81 0.00 0.00 175.30 176.44 1wki s LYS 11 N -1.35 2.02 -0.12 5.12 3.01 -1.26 -5.03 119.74 122.13 1wki s LYS 11 Ca 0.26 1.36 -0.07 0.00 -1.01 0.00 0.00 55.97 56.51 1wki s LYS 11 Cb -0.15 -1.86 -0.04 0.00 -1.01 0.00 0.00 37.83 34.77 1wki s LYS 11 CO 0.14 -1.85 0.13 -1.14 0.51 0.00 0.00 175.35 173.15 1wki s GLN 12 N -4.62 3.45 0.05 1.68 -0.44 -1.26 -5.05 119.66 113.47 1wki s GLN 12 Ca 0.65 -0.15 -0.30 0.00 -2.50 0.00 0.00 55.36 53.06 1wki s GLN 12 Cb -0.20 -3.18 -0.08 0.00 -1.64 0.00 0.00 33.01 27.91 1wki s GLN 12 CO 0.53 0.76 1.75 1.14 0.50 0.00 0.00 175.29 179.97 1wki s GLN 13 N -0.97 4.17 0.07 1.67 1.03 -1.26 -4.86 119.66 119.51 1wki s GLN 13 Ca 0.15 2.41 -0.01 0.00 0.04 0.00 0.00 55.36 57.95 1wki s GLN 13 Cb -0.12 -3.78 -0.00 0.00 0.03 0.00 0.00 33.01 29.14 1wki s GLN 13 CO 0.04 -0.82 -0.02 -2.13 -2.54 0.00 0.00 175.29 169.82 1wki n ARG 14 N 6.27 0.03 0.00 9.60 0.63 -1.26 -5.13 116.66 126.80 1wki n ARG 14 Ca 0.17 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1wki n ARG 14 Cb 0.41 -0.54 0.00 0.00 0.45 0.00 0.00 32.46 32.77 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wki n GLY 15 N 3.31 -1.38 3.55 5.14 0.00 -1.26 -5.17 105.19 109.38 1wki n GLY 15 Ca -0.01 0.64 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 1wki n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wki s ARG 16 N 0.34 0.76 0.79 1.61 1.70 -1.26 -5.17 118.95 117.72 1wki s ARG 16 Ca 0.00 0.16 -0.11 0.00 -0.47 0.00 0.00 55.73 55.31 1wki s ARG 16 Cb 0.00 0.36 0.06 0.00 -0.57 0.00 0.00 34.95 34.80 1wki s ARG 16 CO 0.00 -0.24 1.09 -0.51 -1.08 0.00 0.00 175.30 174.55 1wki s LEU 17 N -1.21 2.72 0.16 -1.89 2.01 -1.26 -4.98 118.68 114.24 1wki s LEU 17 Ca -0.04 1.47 0.12 0.00 0.01 0.00 0.00 54.13 55.68 1wki s LEU 17 Cb -0.00 -4.12 -0.09 0.00 0.01 0.00 0.00 46.19 41.98 1wki s LEU 17 CO 0.04 -1.96 1.25 0.11 1.01 0.00 0.00 176.35 176.80 1wki h LYS 18 N -1.08 0.00 -0.44 1.70 1.57 -2.05 -3.50 116.57 112.77 1wki h LYS 18 Ca -0.46 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.37 1wki h LYS 18 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1wki h LYS 18 CO 0.57 0.68 -0.11 0.41 -0.57 0.00 0.00 179.45 180.43 1wki n GLY 19 N 1.32 -1.91 3.73 3.86 0.00 -1.26 -4.91 105.19 106.02 1wki n GLY 19 Ca -0.02 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.98 2.09 0.14 4.61 0.00 -1.26 -4.95 121.76 120.42 1wki s ALA 20 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1wki s ALA 20 Cb 0.00 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1wki s ALA 20 CO 0.00 -1.90 1.32 1.79 0.00 0.00 0.00 175.76 176.97 1wki h THR 21 N -0.55 1.54 -3.82 0.00 1.35 -2.04 -3.46 112.91 105.92 1wki h THR 21 Ca -0.46 -2.85 -0.43 0.00 -0.55 0.00 0.00 66.41 62.12 1wki h THR 21 Cb 1.28 2.62 0.18 0.00 -1.73 0.00 0.00 68.15 70.49 1wki h THR 21 CO 0.49 0.83 0.41 0.29 -0.25 0.00 0.00 175.52 177.29 1wki n LYS 22 N -3.58 -1.37 -0.22 4.72 5.02 -1.26 -5.05 118.16 116.42 1wki n LYS 22 Ca -0.04 -2.04 -0.29 0.00 -2.02 0.00 0.00 58.31 53.92 1wki n LYS 22 Cb 0.87 -1.38 0.28 0.00 -0.02 0.00 0.00 35.03 34.78 1wki n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wki n GLY 23 N -3.73 -3.91 0.00 0.72 0.00 -1.26 -5.04 105.19 91.97 1wki n GLY 23 Ca 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -5.41 4.75 3.77 -0.02 0.00 -1.26 -4.96 105.19 102.06 1wki n GLY 24 Ca 0.13 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1wki n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wki s ASP 25 N 0.00 2.03 -0.15 1.61 1.11 -1.23 -5.09 116.67 114.95 1wki s ASP 25 Ca 0.00 0.42 -0.05 0.00 0.18 0.00 0.00 52.55 53.10 1wki s ASP 25 Cb 0.00 -0.54 0.08 0.00 1.07 0.00 0.00 42.92 43.53 1wki s ASP 25 CO 0.00 -3.42 0.29 -0.47 1.18 0.00 0.00 175.17 172.75 1wki s TYR 26 N -3.49 -0.48 0.00 4.23 6.14 -1.26 -4.96 117.35 117.54 1wki s TYR 26 Ca 0.73 0.96 0.00 0.00 0.64 0.00 0.00 57.07 59.40 1wki s TYR 26 Cb -0.06 -0.02 0.00 0.00 0.42 0.00 0.00 41.96 42.29 1wki s TYR 26 CO 0.54 -0.42 0.35 0.28 0.64 0.00 0.00 175.55 176.94 1wki n VAL 27 N 5.35 0.00 -1.20 3.14 0.31 -1.26 -4.89 118.33 119.78 1wki n VAL 27 Ca -0.06 0.64 0.14 0.00 -0.01 0.00 0.00 64.34 65.05 1wki n VAL 27 Cb 0.50 -0.94 -0.05 0.00 -0.91 0.00 0.00 33.84 32.44 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 -1.11 -3.36 -0.88 3.52 0.00 -1.26 -4.62 120.51 112.80 1wki n ALA 28 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1wki n ALA 28 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -3.66 0.00 -2.58 0.00 3.72 -1.26 -4.70 117.46 108.98 1wki n PHE 29 Ca -0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 1wki n PHE 29 Cb 0.64 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.22 1wki n PHE 29 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1wki s GLY 30 N 0.00 1.74 0.25 1.37 0.00 -1.26 -4.94 107.32 104.48 1wki s GLY 30 Ca 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.60 1wki s GLY 30 CO 0.00 -0.85 1.62 -0.55 0.00 0.00 0.00 173.10 173.32 1wki h ASP 31 N -0.05 0.41 -1.43 1.64 3.32 -0.24 -3.44 116.42 116.64 1wki h ASP 31 Ca -0.43 -0.19 -0.55 0.00 0.02 0.00 0.00 57.03 55.88 1wki h ASP 31 Cb 1.29 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.66 1wki h ASP 31 CO 0.55 0.81 -0.44 -0.31 -1.72 0.00 0.00 179.24 178.13 1wki s TYR 32 N -4.11 2.51 -0.19 4.55 2.02 -0.57 -1.64 117.35 119.94 1wki s TYR 32 Ca -0.06 -0.60 -0.10 0.00 -0.37 0.00 0.00 57.07 55.95 1wki s TYR 32 Cb 0.13 -2.01 0.07 0.00 -0.40 0.00 0.00 41.96 39.74 1wki s TYR 32 CO 0.80 0.03 0.44 0.20 -1.57 0.00 0.00 175.55 175.45 1wki s GLY 33 N -4.01 -0.37 -0.41 0.71 0.00 0.29 -3.05 107.32 100.48 1wki s GLY 33 Ca 0.41 1.62 -0.21 0.00 0.00 0.00 0.00 44.72 46.55 1wki s GLY 33 CO 0.23 1.86 0.65 -2.27 0.00 0.00 0.00 173.10 173.58 1wki s LEU 34 N 1.59 4.40 -0.01 0.66 1.98 0.21 -1.70 118.68 125.80 1wki s LEU 34 Ca -0.09 -0.16 -0.03 0.00 -2.89 0.00 0.00 54.13 50.97 1wki s LEU 34 Cb -0.09 -2.77 -0.04 0.00 0.66 0.00 0.00 46.19 43.96 1wki s LEU 34 CO -0.14 -0.73 0.16 0.54 -1.89 0.00 0.00 176.35 174.29 1wki s VAL 35 N 2.83 5.30 -0.37 1.68 0.11 -0.98 -0.90 120.40 128.08 1wki s VAL 35 Ca 0.24 -0.19 -0.16 0.00 -2.93 0.00 0.00 61.98 58.94 1wki s VAL 35 Cb -0.14 -3.46 -0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1wki s VAL 35 CO 0.18 0.35 0.40 0.00 -3.33 0.00 0.00 175.10 172.70 1wki s ALA 36 N -1.28 3.47 -0.77 1.54 0.00 -0.14 -2.26 121.76 122.32 1wki s ALA 36 Ca 0.26 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.99 1wki s ALA 36 Cb -0.12 -2.92 0.27 0.00 0.00 0.00 0.00 23.12 20.35 1wki s ALA 36 CO 0.17 -1.24 0.91 1.28 0.00 0.00 0.00 175.76 176.88 1wki n LEU 37 N 5.49 2.53 -3.60 0.00 4.77 0.68 0.13 117.00 127.00 1wki n LEU 37 Ca -0.08 -1.28 -0.13 0.00 -0.03 0.00 0.00 56.01 54.49 1wki n LEU 37 Cb 0.49 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1wki n LEU 37 CO 0.43 0.37 0.59 -0.70 -1.33 0.00 0.00 177.39 176.75 1wki s GLU 38 N -1.58 0.74 0.24 3.23 2.12 -1.26 -4.67 118.70 117.53 1wki s GLU 38 Ca 0.18 0.55 -0.30 0.00 0.36 0.00 0.00 54.97 55.76 1wki s GLU 38 Cb 0.14 0.36 -0.11 0.00 0.26 0.00 0.00 34.13 34.78 1wki s GLU 38 CO 0.05 -0.16 1.53 -2.14 -0.54 0.00 0.00 175.26 174.01 1wki s PRO 39 N -0.30 4.20 0.21 4.30 0.02 -1.26 -4.36 135.00 137.81 1wki s PRO 39 Ca -0.02 2.42 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 1wki s PRO 39 Cb -0.03 -3.09 0.05 0.00 0.02 0.00 0.00 34.50 31.46 1wki s PRO 39 CO 0.01 -0.54 0.90 0.00 -0.33 0.00 0.00 177.00 177.04 1wki s ALA 40 N 0.28 -1.46 -0.27 -1.55 0.00 -1.12 -4.91 121.76 112.73 1wki s ALA 40 Ca 0.63 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.44 1wki s ALA 40 Cb -0.45 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.40 1wki s ALA 40 CO 0.42 -1.04 -0.01 -1.58 0.00 0.00 0.00 175.76 173.54 1wki s TRP 41 N -3.17 3.11 -0.29 0.00 0.51 -1.26 -1.52 118.94 116.31 1wki s TRP 41 Ca 0.14 -1.40 -0.22 0.00 -2.12 0.00 0.00 56.10 52.50 1wki s TRP 41 Cb -0.03 -2.12 -0.01 0.00 -0.81 0.00 0.00 33.47 30.50 1wki s TRP 41 CO 0.05 -0.69 0.72 0.42 -0.51 0.00 0.00 176.95 176.94 1wki s ILE 42 N 1.37 4.87 0.85 2.03 -1.09 -1.08 -4.82 121.20 123.34 1wki s ILE 42 Ca 0.01 1.10 -0.13 0.00 -2.23 0.00 0.00 60.65 59.40 1wki s ILE 42 Cb -0.17 -4.06 0.11 0.00 -1.58 0.00 0.00 42.46 36.75 1wki s ILE 42 CO -0.02 -0.16 1.19 0.42 -1.23 0.00 0.00 174.94 175.14 1wki s THR 43 N 2.77 1.99 0.20 2.92 -4.23 -1.26 -1.19 115.64 116.84 1wki s THR 43 Ca 0.29 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1wki s THR 43 Cb -0.15 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 70.87 1wki s THR 43 CO 0.11 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.04 1wki h ALA 44 N -1.24 0.84 -0.77 3.99 0.00 -1.98 -2.50 119.26 117.61 1wki h ALA 44 Ca -0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1wki h ALA 44 Cb 1.32 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1wki h ALA 44 CO 0.61 0.19 0.37 1.96 0.00 0.00 0.00 179.25 182.39 1wki h GLN 45 N 0.82 1.11 -0.52 0.00 1.08 -1.96 -2.35 115.11 113.30 1wki h GLN 45 Ca 0.25 -0.16 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1wki h GLN 45 Cb -0.02 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.18 1wki h GLN 45 CO -0.09 0.86 0.34 1.96 -0.95 0.00 0.00 178.83 180.96 1wki h GLN 46 N 1.08 0.56 -0.02 1.46 4.20 -1.82 2.69 115.11 123.27 1wki h GLN 46 Ca 0.26 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1wki h GLN 46 Cb 0.11 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1wki h GLN 46 CO -0.03 0.37 -0.07 0.82 -0.67 0.00 0.00 178.83 179.25 1wki h ILE 47 N 0.57 1.49 0.07 2.54 2.04 -1.26 -2.83 117.51 120.14 1wki h ILE 47 Ca 0.21 -1.55 -0.16 0.00 1.00 0.00 0.00 64.86 64.36 1wki h ILE 47 Cb 0.12 2.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1wki h ILE 47 CO -0.05 0.41 -0.80 -0.08 0.00 0.00 0.00 178.15 177.63 1wki h GLU 48 N -0.53 0.15 -0.52 2.37 4.57 -1.10 -3.13 114.58 116.39 1wki h GLU 48 Ca -0.00 -0.25 0.08 0.00 -1.18 0.00 0.00 59.36 58.01 1wki h GLU 48 Cb 0.71 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.33 1wki h GLU 48 CO 0.01 1.12 0.15 0.00 -1.18 0.00 0.00 179.01 179.11 1wki h ALA 49 N -0.07 0.62 -0.48 2.92 0.00 0.46 0.38 119.26 123.10 1wki h ALA 49 Ca -0.17 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1wki h ALA 49 Cb 1.43 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1wki h ALA 49 CO 0.03 -0.26 0.16 0.00 0.00 0.00 0.00 179.25 179.17 1wki h ALA 50 N 1.39 0.62 -0.78 0.00 0.00 -1.54 -2.80 119.26 116.14 1wki h ALA 50 Ca 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1wki h ALA 50 Cb 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1wki h ALA 50 CO -0.31 0.27 0.51 -0.09 0.00 0.00 0.00 179.25 179.63 1wki h ARG 51 N 0.63 1.04 -0.61 0.00 2.43 -1.30 -0.34 114.38 116.23 1wki h ARG 51 Ca 0.15 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1wki h ARG 51 Cb 0.26 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1wki h ARG 51 CO -0.01 0.70 0.40 0.28 -1.51 0.00 0.00 179.97 179.84 1wki h VAL 52 N 1.06 1.01 0.07 0.20 2.07 -0.73 0.41 116.25 120.34 1wki h VAL 52 Ca 0.29 -0.21 -0.25 0.00 0.82 0.00 0.00 66.70 67.34 1wki h VAL 52 Cb -0.10 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1wki h VAL 52 CO -0.06 0.11 -1.10 0.00 0.02 0.00 0.00 177.57 176.55 1wki h ALA 53 N 1.67 0.22 0.06 1.67 0.00 -1.09 -2.93 119.26 118.85 1wki h ALA 53 Ca 0.26 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1wki h ALA 53 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wki h ALA 53 CO -0.08 0.86 -0.03 0.52 0.00 0.00 0.00 179.25 180.53 1wki h MET 54 N 0.17 -0.08 -0.86 0.00 2.07 -0.06 -1.41 114.93 114.76 1wki h MET 54 Ca -0.11 0.01 0.08 0.00 -2.07 0.00 0.00 59.70 57.60 1wki h MET 54 Cb 1.77 0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 31.46 1wki h MET 54 CO 0.19 0.43 0.56 0.28 1.07 0.00 0.00 176.91 179.44 1wki h VAL 55 N -0.64 1.02 0.00 -2.22 2.07 -0.36 -0.90 116.25 115.23 1wki h VAL 55 Ca -0.01 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 1wki h VAL 55 Cb 0.54 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1wki h VAL 55 CO 0.01 0.17 -0.71 0.03 0.02 0.00 0.00 177.57 177.09 1wki h ARG 56 N 0.91 0.00 -0.29 1.57 3.08 -1.53 -3.26 114.38 114.86 1wki h ARG 56 Ca 0.38 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 1wki h ARG 56 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1wki h ARG 56 CO -0.15 0.71 0.07 1.25 -1.07 0.00 0.00 179.97 180.78 1wki h HIS 57 N 0.00 0.49 -1.29 3.04 2.76 -0.02 -3.42 115.15 116.71 1wki h HIS 57 Ca -0.01 -0.06 -0.59 0.00 -2.20 0.00 0.00 60.37 57.51 1wki h HIS 57 Cb 1.31 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 1wki h HIS 57 CO 0.00 0.53 1.52 1.19 -1.30 0.00 0.00 177.93 179.87 1wki n PHE 58 N -4.68 1.54 0.11 5.26 3.72 -0.91 -4.80 117.46 117.71 1wki n PHE 58 Ca -0.02 0.16 -0.01 0.00 -0.05 0.00 0.00 57.45 57.53 1wki n PHE 58 Cb 0.19 -2.58 0.25 0.00 -0.94 0.00 0.00 39.48 36.39 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 14.52 0.19 -0.81 -1.08 3.08 -1.89 -2.86 114.38 125.54 1wki h ARG 59 Ca -0.27 -0.09 -0.46 0.00 0.07 0.00 0.00 59.98 59.23 1wki h ARG 59 Cb 1.29 -0.00 -0.26 0.00 0.08 0.00 0.00 29.97 31.08 1wki h ARG 59 CO 1.07 0.56 0.42 0.54 -1.07 0.00 0.00 179.97 181.50 1wki n ARG 60 N -4.04 2.28 -1.11 0.04 5.12 -1.26 -5.06 116.66 112.63 1wki n ARG 60 Ca -0.01 -3.17 0.14 0.00 -1.93 0.00 0.00 57.85 52.87 1wki n ARG 60 Cb 0.46 -2.11 -0.06 0.00 -1.16 0.00 0.00 32.46 29.59 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 -1.08 -2.84 0.00 -0.13 0.00 -1.08 -4.95 105.19 95.11 1wki n GLY 61 Ca 0.53 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.68 3.26 -0.02 0.00 -1.26 -4.52 105.19 100.47 1wki n GLY 62 Ca -0.05 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 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 1.07 0.08 1.61 -2.85 -1.25 -4.89 119.74 111.50 1wki s LYS 63 Ca 0.00 -1.23 0.08 0.00 -1.00 0.00 0.00 55.97 53.82 1wki s LYS 63 Cb 0.00 -1.05 -0.03 0.00 -2.06 0.00 0.00 37.83 34.69 1wki s LYS 63 CO 0.00 0.21 -0.22 0.42 0.10 0.00 0.00 175.35 175.86 1wki s ILE 64 N -1.90 1.83 -0.31 3.79 1.01 -1.26 -3.13 121.20 121.23 1wki s ILE 64 Ca 0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 60.65 59.29 1wki s ILE 64 Cb -0.06 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.84 1wki s ILE 64 CO 0.04 0.12 0.02 -0.36 0.00 0.00 0.00 174.94 174.75 1wki s PHE 65 N -0.97 3.28 -0.13 3.97 0.40 0.12 -4.95 117.98 119.70 1wki s PHE 65 Ca 0.09 -1.85 -0.11 0.00 -0.60 0.00 0.00 56.93 54.46 1wki s PHE 65 Cb -0.10 -2.18 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 1wki s PHE 65 CO 0.03 -0.80 0.22 0.42 0.70 0.00 0.00 175.22 175.79 1wki s ILE 66 N 1.26 5.36 -0.08 0.64 -1.09 -1.26 -2.65 121.20 123.38 1wki s ILE 66 Ca -0.04 0.39 0.06 0.00 -2.23 0.00 0.00 60.65 58.83 1wki s ILE 66 Cb -0.20 -3.52 -0.09 0.00 -1.58 0.00 0.00 42.46 37.06 1wki s ILE 66 CO -0.01 0.51 0.02 0.54 -1.23 0.00 0.00 174.94 174.77 1wki n ARG 67 N 2.71 2.52 -2.06 2.79 5.12 -1.16 -5.02 116.66 121.55 1wki n ARG 67 Ca -0.16 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.37 1wki n ARG 67 Cb 0.53 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.63 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 -2.19 2.66 -0.13 0.55 -4.36 -1.26 -5.04 121.20 111.43 1wki s ILE 68 Ca -0.05 0.55 -0.08 0.00 -0.26 0.00 0.00 60.65 60.81 1wki s ILE 68 Cb 0.02 -3.30 0.05 0.00 1.25 0.00 0.00 42.46 40.48 1wki s ILE 68 CO 0.31 0.04 0.31 0.12 0.24 0.00 0.00 174.94 175.97 1wki s PHE 69 N -1.35 -0.42 0.23 1.37 5.36 -1.26 -5.06 117.98 116.85 1wki s PHE 69 Ca 0.61 0.96 -0.30 0.00 -0.96 0.00 0.00 56.93 57.24 1wki s PHE 69 Cb -0.36 0.13 -0.10 0.00 -0.34 0.00 0.00 43.02 42.36 1wki s PHE 69 CO 0.44 -0.25 1.46 -2.14 -1.46 0.00 0.00 175.22 173.27 1wki s PRO 70 N 1.06 4.26 0.10 10.12 0.02 -1.26 -4.13 135.00 145.17 1wki s PRO 70 Ca -0.07 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1wki s PRO 70 Cb -0.08 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1wki s PRO 70 CO -0.08 -0.45 0.00 -0.40 -0.33 0.00 0.00 177.00 175.74 1wki n ASP 71 N 2.65 -0.77 -4.74 2.53 5.75 -0.91 -4.75 116.55 116.30 1wki n ASP 71 Ca 0.08 0.19 -0.41 0.00 -0.01 0.00 0.00 54.79 54.64 1wki n ASP 71 Cb 0.40 1.01 -0.03 0.00 -1.03 0.00 0.00 41.12 41.48 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1wki s LYS 72 N -2.00 4.32 0.79 0.11 1.02 -0.96 -4.66 119.74 118.36 1wki s LYS 72 Ca 0.00 2.20 -0.14 0.00 0.02 0.00 0.00 55.97 58.05 1wki s LYS 72 Cb 0.00 -3.14 0.03 0.00 -0.52 0.00 0.00 37.83 34.20 1wki s LYS 72 CO 0.00 -0.34 0.87 -2.30 -0.92 0.00 0.00 175.35 172.66 1wki n PRO 73 N 2.31 0.21 -3.87 -1.68 -0.02 -1.26 -0.98 135.00 129.70 1wki n PRO 73 Ca 0.06 0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 1wki n PRO 73 Cb 0.41 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 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 -2.04 2.23 0.08 6.00 6.14 -0.49 -4.70 117.35 124.57 1wki s TYR 74 Ca 0.69 -1.80 0.10 0.00 0.64 0.00 0.00 57.07 56.70 1wki s TYR 74 Cb -0.31 -1.71 -0.03 0.00 0.42 0.00 0.00 41.96 40.33 1wki s TYR 74 CO 0.55 -0.80 -0.25 0.95 0.64 0.00 0.00 175.55 176.64 1wki s THR 75 N 1.44 2.35 -0.78 4.34 -4.23 -1.26 0.15 115.64 117.65 1wki s THR 75 Ca 0.01 -1.50 0.02 0.00 -1.18 0.00 0.00 61.69 59.03 1wki s THR 75 Cb -0.18 -1.99 0.19 0.00 1.34 0.00 0.00 72.50 71.86 1wki s THR 75 CO -0.11 0.24 0.61 -0.54 -0.54 0.00 0.00 174.62 174.28 1wki s LYS 76 N -1.65 2.82 -0.30 3.99 1.02 -1.26 -5.02 119.74 119.33 1wki s LYS 76 Ca 0.14 -3.28 0.02 0.00 0.02 0.00 0.00 55.97 52.87 1wki s LYS 76 Cb -0.10 -3.67 0.07 0.00 -0.52 0.00 0.00 37.83 33.61 1wki s LYS 76 CO 0.05 -1.27 -0.02 0.15 -0.92 0.00 0.00 175.35 173.34 1wki s LYS 77 N -1.34 2.05 0.89 1.68 -0.14 -1.26 -5.09 119.74 116.52 1wki s LYS 77 Ca 0.26 -1.52 -0.11 0.00 -1.36 0.00 0.00 55.97 53.24 1wki s LYS 77 Cb -0.07 -3.09 0.13 0.00 -1.68 0.00 0.00 37.83 33.12 1wki s LYS 77 CO -0.14 -0.72 1.09 -1.25 -0.76 0.00 0.00 175.35 173.57 1wki s PRO 78 N 1.08 1.29 -0.38 -1.68 0.04 -1.26 -4.87 135.00 129.22 1wki s PRO 78 Ca -0.01 1.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.77 1wki s PRO 78 Cb -0.20 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1wki s PRO 78 CO -0.05 -2.27 2.34 -0.11 0.04 0.00 0.00 177.00 176.94 1wki n LEU 79 N -3.93 2.70 -3.72 -3.56 0.00 -1.26 -4.90 117.00 102.33 1wki n LEU 79 Ca 0.08 -0.19 -0.11 0.00 0.00 0.00 0.00 56.01 55.79 1wki n LEU 79 Cb 0.54 -1.56 -0.06 0.00 0.00 0.00 0.00 43.42 42.34 1wki n LEU 79 CO 0.54 -1.18 0.07 -1.61 0.00 0.00 0.00 177.39 175.21 1wki s GLU 80 N 7.44 0.91 0.39 1.96 0.41 -1.26 -5.15 118.70 123.40 1wki s GLU 80 Ca 1.00 -0.61 -0.27 0.00 -0.41 0.00 0.00 54.97 54.68 1wki s GLU 80 Cb -0.27 0.39 -0.09 0.00 -1.78 0.00 0.00 34.13 32.39 1wki s GLU 80 CO 0.31 -0.32 1.32 0.14 -0.49 0.00 0.00 175.26 176.22 1wki s VAL 81 N -3.11 2.60 -0.25 2.63 -7.23 -1.26 -4.35 120.40 109.42 1wki s VAL 81 Ca -0.01 0.55 -0.05 0.00 -1.81 0.00 0.00 61.98 60.66 1wki s VAL 81 Cb 0.01 -3.33 0.02 0.00 0.56 0.00 0.00 36.38 33.64 1wki s VAL 81 CO -0.07 0.10 0.11 0.54 -0.31 0.00 0.00 175.10 175.47 1wki n ARG 82 N 0.29 -3.94 -3.59 4.82 1.74 -1.26 -5.02 116.66 109.70 1wki n ARG 82 Ca 0.03 3.06 -0.23 0.00 -0.77 0.00 0.00 57.85 59.94 1wki n ARG 82 Cb 0.43 -5.19 -0.02 0.00 -1.02 0.00 0.00 32.46 26.66 1wki n ARG 82 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wki s MET 83 N -1.20 3.47 -0.28 5.56 0.23 -1.26 -5.09 119.30 120.73 1wki s MET 83 Ca -0.13 -0.47 0.01 0.00 -1.03 0.00 0.00 55.69 54.07 1wki s MET 83 Cb 0.01 -2.75 0.05 0.00 -1.53 0.00 0.00 34.83 30.62 1wki s MET 83 CO 0.78 0.25 -0.06 0.20 -2.03 0.00 0.00 175.02 174.16 1wki s GLY 84 N -3.97 1.70 -0.02 3.16 0.00 -1.26 -4.93 107.32 102.01 1wki s GLY 84 Ca 0.38 -1.76 0.15 0.00 0.00 0.00 0.00 44.72 43.49 1wki s GLY 84 CO 0.33 0.64 0.38 0.28 0.00 0.00 0.00 173.10 174.74 1wki n LYS 85 N 4.52 0.80 -0.14 2.90 4.76 -1.26 -4.09 118.16 125.65 1wki n LYS 85 Ca -0.14 -0.11 -0.29 0.00 -2.87 0.00 0.00 58.31 54.90 1wki n LYS 85 Cb 0.43 -1.32 -0.10 0.00 -1.84 0.00 0.00 35.03 32.20 1wki n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 86 N 1.60 -0.48 2.16 0.72 0.00 -1.26 -4.50 105.19 103.42 1wki n GLY 86 Ca -0.02 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.24 2.20 -1.79 1.61 4.01 -1.26 -4.97 118.16 113.72 1wki n LYS 87 Ca -0.53 -2.83 -0.27 0.00 -0.51 0.00 0.00 58.31 54.18 1wki n LYS 87 Cb 0.87 -2.11 0.19 0.00 -0.51 0.00 0.00 35.03 33.47 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wki n GLY 88 N -1.01 -1.39 3.14 0.72 0.00 -1.26 -5.03 105.19 100.35 1wki n GLY 88 Ca 0.56 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 -5.48 4.17 -0.19 1.61 3.84 -1.26 -5.07 114.94 112.56 1wki s ASN 89 Ca 0.70 -1.02 -0.26 0.00 0.21 0.00 0.00 52.86 52.48 1wki s ASN 89 Cb -0.02 -1.60 -0.01 0.00 -0.55 0.00 0.00 41.25 39.08 1wki s ASN 89 CO 0.49 -0.13 0.88 0.54 -2.79 0.00 0.00 177.10 176.09 1wki s VAL 90 N 1.24 4.83 -0.55 -5.21 0.11 -1.26 -4.53 120.40 115.03 1wki s VAL 90 Ca -0.02 1.72 -0.02 0.00 -2.93 0.00 0.00 61.98 60.73 1wki s VAL 90 Cb -0.17 -4.18 0.35 0.00 -1.53 0.00 0.00 36.38 30.85 1wki s VAL 90 CO -0.06 -0.03 2.06 -0.62 -3.33 0.00 0.00 175.10 173.12 1wki n GLU 91 N 5.58 2.37 0.00 1.54 -0.58 0.12 -4.98 120.64 124.70 1wki n GLU 91 Ca 0.06 -2.66 0.00 0.00 -0.42 0.00 0.00 57.16 54.14 1wki n GLU 91 Cb 0.48 -2.05 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 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 -0.39 0.00 3.98 0.62 0.00 -1.26 -4.83 105.19 103.31 1wki n GLY 92 Ca 0.50 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.35 3.20 0.11 1.61 1.51 -1.26 -1.40 117.35 119.77 1wki s TYR 93 Ca 0.00 -0.12 -0.13 0.00 -1.01 0.00 0.00 57.07 55.81 1wki s TYR 93 Cb 0.00 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1wki s TYR 93 CO 0.00 0.04 0.31 0.14 -1.11 0.00 0.00 175.55 174.93 1wki s VAL 94 N -2.18 0.10 -0.42 0.71 -7.23 -0.15 -4.23 120.40 106.99 1wki s VAL 94 Ca 0.43 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.67 1wki s VAL 94 Cb -0.09 -1.24 0.07 0.00 0.56 0.00 0.00 36.38 35.67 1wki s VAL 94 CO 0.32 -0.45 0.28 0.00 -0.31 0.00 0.00 175.10 174.93 1wki s ALA 95 N -3.83 3.33 0.22 1.32 0.00 -0.33 -2.14 121.76 120.33 1wki s ALA 95 Ca 0.04 -2.08 -0.32 0.00 0.00 0.00 0.00 51.96 49.60 1wki s ALA 95 Cb 0.03 -2.72 -0.12 0.00 0.00 0.00 0.00 23.12 20.32 1wki s ALA 95 CO -0.12 -1.63 1.69 0.08 0.00 0.00 0.00 175.76 175.79 1wki s VAL 96 N 1.48 2.08 0.19 0.00 1.01 -1.26 -2.65 120.40 121.26 1wki s VAL 96 Ca 0.03 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.15 1wki s VAL 96 Cb -0.23 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1wki s VAL 96 CO 0.04 0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.30 1wki s VAL 97 N 1.00 1.72 0.13 2.92 1.01 -0.58 -5.00 120.40 121.61 1wki s VAL 97 Ca 0.73 -2.15 0.05 0.00 0.00 0.00 0.00 61.98 60.61 1wki s VAL 97 Cb -0.49 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1wki s VAL 97 CO 0.34 -0.55 -0.12 -0.54 0.00 0.00 0.00 175.10 174.23 1wki s LYS 98 N -3.48 1.02 -0.31 2.72 1.02 -1.26 -2.81 119.74 116.63 1wki s LYS 98 Ca 0.21 -1.32 -0.36 0.00 0.02 0.00 0.00 55.97 54.52 1wki s LYS 98 Cb -0.02 -0.75 -0.12 0.00 -0.52 0.00 0.00 37.83 36.42 1wki s LYS 98 CO 0.06 0.12 2.08 -0.35 -0.92 0.00 0.00 175.35 176.35 1wki n PRO 99 N 0.23 1.20 0.00 -1.68 -0.04 -1.23 -2.10 135.00 131.38 1wki n PRO 99 Ca -0.13 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1wki n PRO 99 Cb 0.59 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1wki n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wki n GLY 100 N 5.92 1.59 3.24 0.55 0.00 0.34 -4.90 105.19 111.93 1wki n GLY 100 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.52 3.17 -0.62 1.61 6.06 -0.89 -3.53 118.95 124.22 1wki s ARG 101 Ca 0.00 -0.75 -0.28 0.00 -2.50 0.00 0.00 55.73 52.21 1wki s ARG 101 Cb 0.00 -2.88 0.03 0.00 0.06 0.00 0.00 34.95 32.16 1wki s ARG 101 CO 0.00 -0.24 1.19 0.08 -2.50 0.00 0.00 175.30 173.84 1wki s VAL 102 N 1.40 3.97 -0.13 7.11 1.01 -1.26 -0.96 120.40 131.53 1wki s VAL 102 Ca 0.05 0.71 0.16 0.00 0.00 0.00 0.00 61.98 62.90 1wki s VAL 102 Cb -0.14 -4.77 -0.24 0.00 0.00 0.00 0.00 36.38 31.23 1wki s VAL 102 CO -0.06 -1.46 0.35 1.15 0.00 0.00 0.00 175.10 175.07 1wki n MET 103 N 8.61 0.66 -4.34 2.72 0.00 -0.08 -4.82 117.12 119.88 1wki n MET 103 Ca 0.06 0.12 -0.23 0.00 0.00 0.00 0.00 57.70 57.65 1wki n MET 103 Cb 0.49 -1.64 -0.11 0.00 0.00 0.00 0.00 33.22 31.95 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 -2.58 1.88 -0.22 3.17 0.40 -1.18 -2.99 117.98 116.46 1wki s PHE 104 Ca -0.07 -0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 55.72 1wki s PHE 104 Cb 0.07 -0.95 0.09 0.00 0.51 0.00 0.00 43.02 42.74 1wki s PHE 104 CO 0.83 0.33 0.49 -1.21 0.70 0.00 0.00 175.22 176.36 1wki s GLU 105 N -2.63 0.43 0.24 0.44 8.01 -1.08 0.64 118.70 124.74 1wki s GLU 105 Ca 0.15 1.09 0.09 0.00 0.01 0.00 0.00 54.97 56.30 1wki s GLU 105 Cb -0.07 0.35 -0.04 0.00 -4.31 0.00 0.00 34.13 30.06 1wki s GLU 105 CO 0.07 -0.21 0.01 0.14 0.01 0.00 0.00 175.26 175.28 1wki s VAL 106 N 2.32 3.62 -0.16 2.63 -7.23 -1.17 0.11 120.40 120.52 1wki s VAL 106 Ca -0.05 -1.71 -0.21 0.00 -1.81 0.00 0.00 61.98 58.19 1wki s VAL 106 Cb -0.11 -2.90 0.05 0.00 0.56 0.00 0.00 36.38 33.99 1wki s VAL 106 CO -0.15 -0.29 0.56 0.00 -0.31 0.00 0.00 175.10 174.91 1wki s ALA 107 N -2.11 -1.40 0.00 1.32 0.00 -1.18 0.49 121.76 118.87 1wki s ALA 107 Ca 0.30 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1wki s ALA 107 Cb -0.07 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1wki s ALA 107 CO 0.20 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1wki n GLY 108 N 2.25 3.32 3.90 0.00 0.00 -1.26 -3.95 105.19 109.46 1wki n GLY 108 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.33 4.93 0.82 1.61 -7.23 -1.26 -4.96 120.40 111.98 1wki s VAL 109 Ca 0.00 0.24 -0.10 0.00 -1.81 0.00 0.00 61.98 60.31 1wki s VAL 109 Cb 0.00 -3.75 0.09 0.00 0.56 0.00 0.00 36.38 33.27 1wki s VAL 109 CO 0.00 -0.46 1.11 0.42 -0.31 0.00 0.00 175.10 175.85 1wki s THR 110 N -2.27 2.92 0.40 5.32 -4.23 -1.26 -4.63 115.64 111.89 1wki s THR 110 Ca 0.47 0.30 0.09 0.00 -1.18 0.00 0.00 61.69 61.37 1wki s THR 110 Cb -0.10 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.39 1wki s THR 110 CO 0.32 -0.39 1.98 -0.08 -0.54 0.00 0.00 174.62 175.91 1wki h GLU 111 N -1.38 0.58 -0.16 3.99 4.81 -1.97 0.85 114.58 121.30 1wki h GLU 111 Ca -0.44 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 1wki h GLU 111 Cb 1.24 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1wki h GLU 111 CO 0.48 0.38 -0.14 1.49 -0.73 0.00 0.00 179.01 180.50 1wki h GLU 112 N 0.59 0.37 -0.03 1.92 4.22 -1.98 0.95 114.58 120.62 1wki h GLU 112 Ca 0.28 -0.19 -0.22 0.00 0.08 0.00 0.00 59.36 59.31 1wki h GLU 112 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1wki h GLU 112 CO -0.08 0.73 -0.89 1.96 -2.18 0.00 0.00 179.01 178.55 1wki h GLN 113 N 0.01 0.44 -0.05 1.92 4.20 -1.77 -2.30 115.11 117.56 1wki h GLN 113 Ca 0.03 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 1wki h GLN 113 Cb 0.66 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1wki h GLN 113 CO 0.03 1.09 -0.10 0.00 -0.67 0.00 0.00 178.83 179.18 1wki h ALA 114 N 0.76 0.08 -0.33 3.87 0.00 0.68 -0.56 119.26 123.76 1wki h ALA 114 Ca -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1wki h ALA 114 Cb 1.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1wki h ALA 114 CO 0.16 -0.05 0.09 0.52 0.00 0.00 0.00 179.25 179.96 1wki h MET 115 N -0.36 0.52 -0.11 0.00 2.86 -0.90 -0.97 114.93 115.97 1wki h MET 115 Ca 0.00 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1wki h MET 115 Cb 0.69 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1wki h MET 115 CO 0.02 0.57 0.02 1.49 1.06 0.00 0.00 176.91 180.08 1wki h GLU 116 N 0.38 0.19 -0.27 1.72 4.81 -1.49 -1.99 114.58 117.92 1wki h GLU 116 Ca 0.11 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1wki h GLU 116 Cb 0.28 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1wki h GLU 116 CO -0.00 0.37 0.04 0.00 -0.73 0.00 0.00 179.01 178.69 1wki h ALA 117 N 0.81 0.27 -0.38 2.92 0.00 -1.04 0.25 119.26 122.08 1wki h ALA 117 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1wki h ALA 117 Cb 0.27 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1wki h ALA 117 CO 0.00 -0.38 0.25 -0.07 0.00 0.00 0.00 179.25 179.05 1wki h LEU 118 N 0.13 0.37 -0.15 0.00 4.07 -1.13 -1.62 115.31 116.98 1wki h LEU 118 Ca 0.13 -0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.85 1wki h LEU 118 Cb 0.14 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 41.81 1wki h LEU 118 CO -0.18 0.26 -0.87 0.03 -1.08 0.00 0.00 178.44 176.59 1wki h ARG 119 N 0.43 0.66 -0.90 1.13 3.08 -0.41 -3.14 114.38 115.23 1wki h ARG 119 Ca 0.15 -0.61 0.07 0.00 0.07 0.00 0.00 59.98 59.66 1wki h ARG 119 Cb 0.08 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.21 1wki h ARG 119 CO -0.03 1.22 0.56 0.82 -1.07 0.00 0.00 179.97 181.47 1wki h ILE 120 N 0.42 1.03 -0.58 2.04 2.04 0.39 0.33 117.51 123.18 1wki h ILE 120 Ca -0.08 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1wki h ILE 120 Cb 1.50 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1wki h ILE 120 CO 0.17 0.18 0.31 0.00 0.00 0.00 0.00 178.15 178.82 1wki h ALA 121 N 1.43 0.75 0.00 1.87 0.00 -1.45 -2.37 119.26 119.48 1wki h ALA 121 Ca 0.40 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1wki h ALA 121 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wki h ALA 121 CO -0.19 0.27 -0.18 0.78 0.00 0.00 0.00 179.25 179.94 1wki h GLY 122 N 0.79 0.00 1.12 0.00 0.00 -1.26 -3.18 103.07 100.53 1wki h GLY 122 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.57 1wki h GLY 122 CO -0.03 0.00 0.52 0.45 0.00 0.00 0.00 176.54 177.48 1wki h HIS 123 N 0.00 0.94 -0.07 5.60 -0.00 0.18 -0.18 115.15 121.62 1wki h HIS 123 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1wki h HIS 123 Cb 0.91 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 1wki h HIS 123 CO 0.00 0.55 0.00 0.36 -0.00 0.00 0.00 177.93 178.84 1wki n LYS 124 N -4.45 1.73 -2.65 2.45 2.85 -1.20 -4.91 118.16 111.97 1wki n LYS 124 Ca 0.10 -1.07 -0.30 0.00 -1.05 0.00 0.00 58.31 55.99 1wki n LYS 124 Cb 0.11 -1.46 -0.02 0.00 -0.65 0.00 0.00 35.03 33.01 1wki n LYS 124 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wki s LEU 125 N -1.87 3.71 -0.07 -5.58 1.43 -0.08 -4.97 118.68 111.26 1wki s LEU 125 Ca 0.36 1.22 0.05 0.00 -1.03 0.00 0.00 54.13 54.74 1wki s LEU 125 Cb 0.20 -4.14 0.28 0.00 0.03 0.00 0.00 46.19 42.56 1wki s LEU 125 CO 0.31 -0.50 0.99 -0.81 0.23 0.00 0.00 176.35 176.57 1wki n PRO 126 N -1.59 2.22 -3.95 1.29 -0.04 -1.26 -4.87 135.00 126.80 1wki n PRO 126 Ca 0.03 -1.07 -0.10 0.00 -0.04 0.00 0.00 63.50 62.33 1wki n PRO 126 Cb 0.54 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.62 0.04 0.50 0.52 -5.25 -1.26 -4.96 121.20 109.16 1wki s ILE 127 Ca 0.19 -1.33 -0.20 0.00 -0.99 0.00 0.00 60.65 58.32 1wki s ILE 127 Cb 0.14 -1.94 -0.08 0.00 2.95 0.00 0.00 42.46 43.53 1wki s ILE 127 CO 0.07 -0.17 1.06 -0.75 -1.79 0.00 0.00 174.94 173.36 1wki s LYS 128 N -3.98 3.68 -0.05 0.37 2.20 -1.26 -4.91 119.74 115.79 1wki s LYS 128 Ca 0.19 1.43 -0.14 0.00 -0.36 0.00 0.00 55.97 57.08 1wki s LYS 128 Cb 0.02 -2.07 0.03 0.00 -1.51 0.00 0.00 37.83 34.29 1wki s LYS 128 CO 0.03 -0.55 0.33 0.95 -0.36 0.00 0.00 175.35 175.75 1wki s THR 129 N -1.93 0.04 0.09 3.43 -4.23 -1.26 -0.23 115.64 111.54 1wki s THR 129 Ca 0.69 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1wki s THR 129 Cb -0.18 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.04 1wki s THR 129 CO 0.22 -0.18 -0.08 -1.59 -0.54 0.00 0.00 174.62 172.45 1wki s LYS 130 N -0.85 0.77 0.13 3.99 -2.85 -0.96 -4.96 119.74 115.02 1wki s LYS 130 Ca -0.09 -1.14 -0.21 0.00 -1.00 0.00 0.00 55.97 53.53 1wki s LYS 130 Cb -0.04 -0.36 -0.07 0.00 -2.06 0.00 0.00 37.83 35.29 1wki s LYS 130 CO 0.03 0.04 0.67 0.42 0.10 0.00 0.00 175.35 176.61 1wki s ILE 131 N -2.64 4.58 0.05 3.79 -1.09 -1.26 -2.31 121.20 122.31 1wki s ILE 131 Ca 0.04 1.39 -0.10 0.00 -2.23 0.00 0.00 60.65 59.76 1wki s ILE 131 Cb -0.01 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1wki s ILE 131 CO -0.02 0.48 0.20 0.68 -1.23 0.00 0.00 174.94 175.05 1wki s VAL 132 N -1.20 0.12 0.39 2.92 -7.23 -0.69 -4.96 120.40 109.75 1wki s VAL 132 Ca 0.34 -0.95 0.05 0.00 -1.81 0.00 0.00 61.98 59.61 1wki s VAL 132 Cb -0.20 -1.02 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 1wki s VAL 132 CO 0.22 -0.52 0.56 -0.13 -0.31 0.00 0.00 175.10 174.92 1wki s ARG 133 N -2.88 3.02 -0.70 4.82 0.52 -1.24 0.10 118.95 122.61 1wki s ARG 133 Ca -0.03 -0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 54.22 1wki s ARG 133 Cb 0.00 -2.71 -0.22 0.00 0.52 0.00 0.00 34.95 32.54 1wki s ARG 133 CO -0.06 -0.13 1.84 0.54 0.02 0.00 0.00 175.30 177.51 1wki n ARG 134 N -1.84 0.05 -3.12 3.54 1.74 -0.65 0.11 116.66 116.49 1wki n ARG 134 Ca 0.02 -0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 56.82 1wki n ARG 134 Cb 0.58 -1.35 0.05 0.00 -1.02 0.00 0.00 32.46 30.72 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 6.92 -4.41 -4.07 0.55 2.03 -1.26 -5.00 116.55 111.31 1wki n ASP 135 Ca 0.45 -0.32 -0.35 0.00 0.52 0.00 0.00 54.79 55.10 1wki n ASP 135 Cb 0.28 -3.13 -0.12 0.00 -0.72 0.00 0.00 41.12 37.43 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 -3.19 3.31 -0.46 -1.67 0.00 0.31 -5.03 121.76 115.03 1wki s ALA 136 Ca 0.32 -2.93 0.03 0.00 0.00 0.00 0.00 51.96 49.38 1wki s ALA 136 Cb -0.14 -2.41 0.13 0.00 0.00 0.00 0.00 23.12 20.70 1wki s ALA 136 CO 0.42 -1.94 0.23 0.71 0.00 0.00 0.00 175.76 175.19 1wki s TYR 137 N 0.43 2.41 -0.30 0.00 1.51 -1.26 -3.59 117.35 116.56 1wki s TYR 137 Ca 0.13 -2.66 -0.28 0.00 -1.01 0.00 0.00 57.07 53.25 1wki s TYR 137 Cb -0.22 -2.21 -0.06 0.00 -0.11 0.00 0.00 41.96 39.36 1wki s TYR 137 CO -0.04 -0.78 2.28 -3.47 -1.11 0.00 0.00 175.55 172.43 1wki n ASP 138 N 3.47 2.96 -4.62 2.29 -0.08 -1.26 -4.90 116.55 114.42 1wki n ASP 138 Ca 0.07 0.03 -0.43 0.00 -1.51 0.00 0.00 54.79 52.95 1wki n ASP 138 Cb 0.34 -1.55 -0.02 0.00 2.34 0.00 0.00 41.12 42.23 1wki n ASP 138 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1wki s GLU 139 N 6.87 3.68 -0.80 -0.67 2.02 -1.26 -4.94 118.70 123.60 1wki s GLU 139 Ca 1.01 1.29 -0.26 0.00 0.02 0.00 0.00 54.97 57.03 1wki s GLU 139 Cb -0.32 -4.02 0.02 0.00 0.10 0.00 0.00 34.13 29.91 1wki s GLU 139 CO 0.34 -1.43 1.45 0.00 0.02 0.00 0.00 175.26 175.64 1wki s ALA 140 N 5.34 2.59 -2.81 5.21 0.00 -1.26 -5.35 121.76 125.47 1wki s ALA 140 Ca 0.66 -1.48 0.26 0.00 0.00 0.00 0.00 51.96 51.39 1wki s ALA 140 Cb -0.19 -4.35 0.52 0.00 0.00 0.00 0.00 23.12 19.10 1wki s ALA 140 CO 0.30 -3.55 1.45 0.94 0.00 0.00 0.00 175.76 174.89