#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wki h LEU 2 N 0.00 0.13 -7.89 -0.89 4.07 -2.09 -3.47 115.31 105.19 1wki h LEU 2 Ca 0.00 -0.66 -0.52 0.00 0.08 0.00 0.00 57.88 56.78 1wki h LEU 2 Cb 0.00 -0.04 -0.35 0.00 1.08 0.00 0.00 40.66 41.35 1wki h LEU 2 CO 0.00 1.58 -0.81 -0.32 -1.08 0.00 0.00 178.44 177.81 1wki s MET 3 N -2.42 1.69 0.23 1.13 1.75 -1.26 -5.13 119.30 115.30 1wki s MET 3 Ca -0.26 -0.37 -0.30 0.00 -1.25 0.00 0.00 55.69 53.51 1wki s MET 3 Cb 0.06 -1.51 -0.09 0.00 2.84 0.00 0.00 34.83 36.13 1wki s MET 3 CO 0.65 -0.08 1.17 -1.25 -0.65 0.00 0.00 175.02 174.86 1wki s PRO 4 N 1.05 4.53 -0.31 4.11 0.04 -1.26 -4.97 135.00 138.19 1wki s PRO 4 Ca -0.07 1.89 0.18 0.00 0.04 0.00 0.00 61.00 63.04 1wki s PRO 4 Cb -0.15 -3.20 0.46 0.00 0.04 0.00 0.00 34.50 31.65 1wki s PRO 4 CO -0.01 0.01 1.05 -2.13 0.04 0.00 0.00 177.00 175.96 1wki n ARG 5 N 1.86 1.29 -1.42 4.56 0.63 -1.26 -5.13 116.66 117.19 1wki n ARG 5 Ca 0.02 -3.10 0.18 0.00 -0.92 0.00 0.00 57.85 54.03 1wki n ARG 5 Cb 0.44 -1.15 -0.06 0.00 0.45 0.00 0.00 32.46 32.14 1wki n ARG 5 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wki n ARG 6 N -0.29 -3.05 -1.83 -0.14 5.12 -1.26 -4.62 116.66 110.59 1wki n ARG 6 Ca 0.06 2.24 -0.42 0.00 -1.93 0.00 0.00 57.85 57.80 1wki n ARG 6 Cb 0.82 -3.65 -0.03 0.00 -1.16 0.00 0.00 32.46 28.44 1wki n ARG 6 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1wki s MET 7 N -3.07 4.05 -0.02 5.56 -1.94 -1.26 -4.98 119.30 117.66 1wki s MET 7 Ca 0.00 2.34 -0.06 0.00 -1.71 0.00 0.00 55.69 56.26 1wki s MET 7 Cb 0.00 -4.10 0.00 0.00 2.01 0.00 0.00 34.83 32.74 1wki s MET 7 CO 0.00 -1.03 0.12 0.15 -0.01 0.00 0.00 175.02 174.26 1wki s LYS 8 N 4.46 0.35 -0.53 2.03 1.02 -1.26 -5.06 119.74 120.76 1wki s LYS 8 Ca 0.82 -0.20 0.03 0.00 0.02 0.00 0.00 55.97 56.63 1wki s LYS 8 Cb -0.37 0.15 0.43 0.00 -0.52 0.00 0.00 37.83 37.52 1wki s LYS 8 CO 0.36 -0.07 1.55 0.98 -0.92 0.00 0.00 175.35 177.24 1wki n TYR 9 N 2.03 3.08 -3.02 3.18 9.36 -1.26 -5.03 117.16 125.49 1wki n TYR 9 Ca -0.19 -2.66 -0.35 0.00 3.32 0.00 0.00 57.90 58.01 1wki n TYR 9 Cb 0.57 -0.72 -0.06 0.00 -0.63 0.00 0.00 39.34 38.49 1wki n TYR 9 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1wki s ARG 10 N -3.73 4.28 -0.18 2.98 6.06 -1.26 -5.01 118.95 122.08 1wki s ARG 10 Ca 0.54 0.95 -0.18 0.00 -2.50 0.00 0.00 55.73 54.54 1wki s ARG 10 Cb 0.44 -2.73 -0.06 0.00 0.06 0.00 0.00 34.95 32.65 1wki s ARG 10 CO -0.12 0.30 -0.35 1.17 -2.50 0.00 0.00 175.30 173.81 1wki n LYS 11 N 0.40 0.53 -4.11 5.12 4.81 -1.26 -5.00 118.16 118.65 1wki n LYS 11 Ca 0.00 0.22 -0.34 0.00 -0.87 0.00 0.00 58.31 57.32 1wki n LYS 11 Cb 0.51 -1.44 -0.07 0.00 0.02 0.00 0.00 35.03 34.06 1wki n LYS 11 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1wki s GLN 12 N -2.89 3.11 0.50 1.64 0.74 -1.26 -5.11 119.66 116.39 1wki s GLN 12 Ca -0.29 -0.42 -0.04 0.00 0.05 0.00 0.00 55.36 54.66 1wki s GLN 12 Cb 0.04 -2.90 -0.01 0.00 1.10 0.00 0.00 33.01 31.24 1wki s GLN 12 CO 0.43 0.68 0.78 -0.65 -0.55 0.00 0.00 175.29 175.97 1wki s GLN 13 N -1.51 3.24 0.00 1.67 -0.21 -1.26 -4.96 119.66 116.63 1wki s GLN 13 Ca 0.20 -0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.54 1wki s GLN 13 Cb -0.12 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.49 1wki s GLN 13 CO 0.11 -0.36 0.00 -2.13 -2.12 0.00 0.00 175.29 170.79 1wki n ARG 14 N -2.30 0.00 -1.51 2.91 3.00 -1.26 -5.09 116.66 112.41 1wki n ARG 14 Ca 0.02 0.00 -0.47 0.00 -0.00 0.00 0.00 57.85 57.39 1wki n ARG 14 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.97 1wki n ARG 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wki n GLY 15 N -1.27 0.68 3.91 5.14 0.00 -1.26 -4.94 105.19 107.45 1wki n GLY 15 Ca 0.00 0.87 -0.24 0.00 0.00 0.00 0.00 46.02 46.65 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 6.35 2.32 -0.27 1.61 1.81 -1.26 -5.10 118.95 124.42 1wki s ARG 16 Ca 1.06 -1.85 -0.18 0.00 -1.72 0.00 0.00 55.73 53.05 1wki s ARG 16 Cb -0.64 -2.24 -0.03 0.00 -0.45 0.00 0.00 34.95 31.59 1wki s ARG 16 CO 0.43 -0.55 0.50 -1.17 -0.68 0.00 0.00 175.30 173.83 1wki s LEU 17 N -4.30 4.07 -0.24 2.53 1.98 -1.26 -4.93 118.68 116.53 1wki s LEU 17 Ca 0.42 0.45 0.13 0.00 -2.89 0.00 0.00 54.13 52.24 1wki s LEU 17 Cb -0.03 -2.63 0.57 0.00 0.66 0.00 0.00 46.19 44.76 1wki s LEU 17 CO 0.25 -0.29 1.51 0.29 -1.89 0.00 0.00 176.35 176.22 1wki n LYS 18 N 5.54 2.75 -0.53 1.98 5.02 -1.26 -5.09 118.16 126.57 1wki n LYS 18 Ca -0.05 -2.99 0.07 0.00 -2.02 0.00 0.00 58.31 53.33 1wki n LYS 18 Cb 0.50 -1.91 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wki n GLY 19 N -0.64 -1.14 3.71 0.72 0.00 -1.26 -4.64 105.19 101.95 1wki n GLY 19 Ca 0.29 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.94 3.44 0.00 4.61 0.00 -1.26 -4.89 121.76 121.72 1wki s ALA 20 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1wki s ALA 20 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1wki s ALA 20 CO 0.00 -0.49 0.00 0.25 0.00 0.00 0.00 175.76 175.52 1wki n THR 21 N 3.97 0.00 -2.51 0.00 -2.24 -1.26 -4.95 114.28 107.30 1wki n THR 21 Ca 0.10 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.48 1wki n THR 21 Cb 0.45 -0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.85 3.42 0.00 -0.78 2.47 -1.26 -4.81 119.74 116.93 1wki s LYS 22 Ca 0.00 -0.88 0.00 0.00 -1.56 0.00 0.00 55.97 53.53 1wki s LYS 22 Cb 0.00 -5.12 0.00 0.00 -1.46 0.00 0.00 37.83 31.25 1wki s LYS 22 CO 0.00 -2.30 0.00 0.41 0.16 0.00 0.00 175.35 173.62 1wki n GLY 23 N 6.62 4.24 0.00 5.54 0.00 -1.26 -5.18 105.19 115.14 1wki n GLY 23 Ca 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.79 1.24 2.08 -0.02 0.00 -1.26 -5.12 105.19 102.90 1wki n GLY 24 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1wki n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wki n ASP 25 N 0.00 -0.72 0.02 1.61 5.68 -1.26 -5.00 116.55 116.87 1wki n ASP 25 Ca 0.00 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.20 1wki n ASP 25 Cb 0.00 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 1wki n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wki n TYR 26 N -3.41 -1.49 0.00 2.11 4.19 -1.26 -5.03 117.16 112.27 1wki n TYR 26 Ca 0.09 0.15 0.00 0.00 3.31 0.00 0.00 57.90 61.45 1wki n TYR 26 Cb 0.33 0.59 0.00 0.00 0.49 0.00 0.00 39.34 40.75 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 -2.20 0.00 0.00 2.97 0.31 -1.26 -4.60 118.33 113.55 1wki n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1wki n VAL 27 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1wki n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wki n ALA 28 N 0.00 0.00 -4.32 3.52 0.00 -1.26 -4.70 120.51 113.75 1wki n ALA 28 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1wki n ALA 28 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 -0.23 -1.49 0.00 3.72 -1.26 -5.10 117.46 113.10 1wki n PHE 29 Ca 0.00 -2.55 0.00 0.00 -0.05 0.00 0.00 57.45 54.85 1wki n PHE 29 Cb 0.00 0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.63 -4.63 0.43 1.37 0.00 -1.26 -4.60 105.19 95.86 1wki n GLY 30 Ca -0.00 -0.62 0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 2.06 0.11 -1.45 1.61 3.32 -1.52 -3.41 116.42 117.14 1wki h ASP 31 Ca 0.00 0.01 -0.61 0.00 0.02 0.00 0.00 57.03 56.45 1wki h ASP 31 Cb 0.00 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 39.43 1wki h ASP 31 CO 0.00 0.05 -0.55 -0.31 -1.72 0.00 0.00 179.24 176.71 1wki s TYR 32 N -5.11 2.44 -0.25 4.55 2.02 -0.40 -0.67 117.35 119.93 1wki s TYR 32 Ca -0.06 -0.68 -0.17 0.00 -0.37 0.00 0.00 57.07 55.79 1wki s TYR 32 Cb 0.21 -1.82 0.07 0.00 -0.40 0.00 0.00 41.96 40.02 1wki s TYR 32 CO 0.76 0.31 0.63 0.20 -1.57 0.00 0.00 175.55 175.88 1wki s GLY 33 N -3.81 -0.53 -0.40 0.71 0.00 0.15 -2.86 107.32 100.57 1wki s GLY 33 Ca 0.34 2.05 -0.20 0.00 0.00 0.00 0.00 44.72 46.91 1wki s GLY 33 CO 0.18 1.97 0.62 -2.27 0.00 0.00 0.00 173.10 173.60 1wki s LEU 34 N 1.10 4.43 -0.01 0.66 1.98 0.29 -1.41 118.68 125.71 1wki s LEU 34 Ca -0.06 -0.18 -0.02 0.00 -2.89 0.00 0.00 54.13 50.98 1wki s LEU 34 Cb -0.05 -2.71 -0.04 0.00 0.66 0.00 0.00 46.19 44.04 1wki s LEU 34 CO -0.11 -0.69 0.12 0.54 -1.89 0.00 0.00 176.35 174.33 1wki s VAL 35 N 2.71 5.03 -0.42 1.68 0.11 -0.90 -1.12 120.40 127.50 1wki s VAL 35 Ca 0.22 -0.28 -0.16 0.00 -2.93 0.00 0.00 61.98 58.83 1wki s VAL 35 Cb -0.14 -3.32 0.02 0.00 -1.53 0.00 0.00 36.38 31.41 1wki s VAL 35 CO 0.17 0.36 0.39 0.00 -3.33 0.00 0.00 175.10 172.68 1wki s ALA 36 N -1.23 3.45 -1.98 1.54 0.00 -0.19 -1.94 121.76 121.40 1wki s ALA 36 Ca 0.24 -1.61 0.28 0.00 0.00 0.00 0.00 51.96 50.86 1wki s ALA 36 Cb -0.12 -3.00 1.65 0.00 0.00 0.00 0.00 23.12 21.65 1wki s ALA 36 CO 0.15 -1.55 2.00 1.28 0.00 0.00 0.00 175.76 177.64 1wki n LEU 37 N 5.43 0.00 -3.85 0.00 4.77 0.15 0.93 117.00 124.42 1wki n LEU 37 Ca -0.09 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 1wki n LEU 37 Cb 0.47 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1wki n LEU 37 CO 0.44 -0.00 -0.17 -0.70 -1.33 0.00 0.00 177.39 175.64 1wki s GLU 38 N -2.02 0.42 0.15 3.23 2.12 -1.23 -4.43 118.70 116.95 1wki s GLU 38 Ca 0.41 -0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.20 1wki s GLU 38 Cb 0.19 0.18 -0.07 0.00 0.26 0.00 0.00 34.13 34.69 1wki s GLU 38 CO 0.32 -0.10 1.21 -1.25 -0.54 0.00 0.00 175.26 174.90 1wki s PRO 39 N -1.04 4.47 0.30 4.30 0.04 -1.26 -4.40 135.00 137.42 1wki s PRO 39 Ca -0.11 1.86 -0.19 0.00 0.04 0.00 0.00 61.00 62.59 1wki s PRO 39 Cb -0.06 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.24 1wki s PRO 39 CO 0.01 -0.14 0.72 0.00 0.04 0.00 0.00 177.00 177.64 1wki s ALA 40 N 0.24 -1.06 -0.36 8.56 0.00 -1.17 -4.93 121.76 123.04 1wki s ALA 40 Ca 0.55 -0.44 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1wki s ALA 40 Cb -0.32 0.82 0.05 0.00 0.00 0.00 0.00 23.12 23.67 1wki s ALA 40 CO 0.35 -1.02 0.15 -1.58 0.00 0.00 0.00 175.76 173.66 1wki s TRP 41 N -3.56 3.29 -0.27 0.00 0.51 -1.26 -1.77 118.94 115.87 1wki s TRP 41 Ca 0.13 -1.44 -0.26 0.00 -2.12 0.00 0.00 56.10 52.40 1wki s TRP 41 Cb -0.06 -2.48 0.00 0.00 -0.81 0.00 0.00 33.47 30.13 1wki s TRP 41 CO 0.08 -0.76 0.91 0.42 -0.51 0.00 0.00 176.95 177.09 1wki s ILE 42 N 1.41 4.73 0.85 2.03 -1.09 -0.96 -4.78 121.20 123.39 1wki s ILE 42 Ca 0.00 1.59 -0.12 0.00 -2.23 0.00 0.00 60.65 59.89 1wki s ILE 42 Cb -0.20 -4.22 0.11 0.00 -1.58 0.00 0.00 42.46 36.56 1wki s ILE 42 CO 0.03 -0.22 1.18 0.42 -1.23 0.00 0.00 174.94 175.12 1wki s THR 43 N 3.10 2.00 0.20 2.92 -4.23 -1.26 -0.93 115.64 117.44 1wki s THR 43 Ca 0.38 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.78 1wki s THR 43 Cb -0.14 -2.93 0.12 0.00 1.34 0.00 0.00 72.50 70.88 1wki s THR 43 CO 0.10 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.02 1wki h ALA 44 N -1.23 0.83 -0.73 3.99 0.00 -1.97 -2.45 119.26 117.70 1wki h ALA 44 Ca -0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1wki h ALA 44 Cb 1.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1wki h ALA 44 CO 0.63 0.15 0.34 1.96 0.00 0.00 0.00 179.25 182.33 1wki h GLN 45 N 0.78 1.06 -0.53 0.00 1.08 -1.96 -2.45 115.11 113.09 1wki h GLN 45 Ca 0.26 -0.16 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1wki h GLN 45 Cb 0.01 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 1wki h GLN 45 CO -0.10 0.83 0.35 1.96 -0.95 0.00 0.00 178.83 180.93 1wki h GLN 46 N 1.03 0.56 0.05 1.46 4.20 -1.81 2.52 115.11 123.12 1wki h GLN 46 Ca 0.25 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1wki h GLN 46 Cb 0.13 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1wki h GLN 46 CO -0.03 0.37 -0.02 0.82 -0.67 0.00 0.00 178.83 179.30 1wki h ILE 47 N 0.58 1.28 0.08 2.54 2.04 -1.20 -2.86 117.51 119.97 1wki h ILE 47 Ca 0.22 -1.23 -0.18 0.00 1.00 0.00 0.00 64.86 64.67 1wki h ILE 47 Cb 0.14 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1wki h ILE 47 CO -0.06 0.30 -0.86 -0.08 0.00 0.00 0.00 178.15 177.45 1wki h GLU 48 N -0.63 0.18 -0.51 2.37 4.57 -1.15 -3.13 114.58 116.27 1wki h GLU 48 Ca -0.01 -0.30 0.09 0.00 -1.18 0.00 0.00 59.36 57.96 1wki h GLU 48 Cb 0.55 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.18 1wki h GLU 48 CO 0.01 1.14 0.11 0.00 -1.18 0.00 0.00 179.01 179.09 1wki h ALA 49 N -0.05 0.58 -0.57 2.92 0.00 0.42 -0.14 119.26 122.42 1wki h ALA 49 Ca -0.18 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1wki h ALA 49 Cb 1.49 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1wki h ALA 49 CO 0.04 -0.30 0.13 0.00 0.00 0.00 0.00 179.25 179.12 1wki h ALA 50 N 1.40 0.75 -1.01 0.00 0.00 -1.55 -2.83 119.26 116.03 1wki h ALA 50 Ca 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wki h ALA 50 Cb 0.35 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1wki h ALA 50 CO -0.33 0.46 0.67 -0.09 0.00 0.00 0.00 179.25 179.96 1wki h ARG 51 N 0.82 1.31 -0.29 0.00 2.43 -1.27 -1.11 114.38 116.27 1wki h ARG 51 Ca 0.18 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1wki h ARG 51 Cb 0.36 -0.30 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1wki h ARG 51 CO 0.00 0.87 0.14 0.28 -1.51 0.00 0.00 179.97 179.75 1wki h VAL 52 N 1.35 1.11 0.07 0.20 2.07 -0.82 0.12 116.25 120.36 1wki h VAL 52 Ca 0.37 -0.31 -0.27 0.00 0.82 0.00 0.00 66.70 67.32 1wki h VAL 52 Cb -0.14 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1wki h VAL 52 CO -0.09 0.12 -1.13 0.00 0.02 0.00 0.00 177.57 176.50 1wki h ALA 53 N 1.75 0.15 -0.08 1.67 0.00 -1.14 -3.03 119.26 118.59 1wki h ALA 53 Ca 0.10 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1wki h ALA 53 Cb 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wki h ALA 53 CO -0.01 0.79 -0.14 0.52 0.00 0.00 0.00 179.25 180.41 1wki h MET 54 N 0.23 0.23 -0.98 0.00 2.07 -0.71 -1.77 114.93 113.99 1wki h MET 54 Ca -0.14 -0.14 0.07 0.00 -2.07 0.00 0.00 59.70 57.43 1wki h MET 54 Cb 1.80 0.02 -0.07 0.00 -1.87 0.00 0.00 31.60 31.47 1wki h MET 54 CO 0.20 0.72 0.63 0.28 1.07 0.00 0.00 176.91 179.82 1wki h VAL 55 N -0.24 1.06 0.00 -2.22 2.07 -0.88 -1.26 116.25 114.78 1wki h VAL 55 Ca 0.01 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 1wki h VAL 55 Cb 0.70 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1wki h VAL 55 CO 0.03 0.20 -0.70 0.03 0.02 0.00 0.00 177.57 177.15 1wki h ARG 56 N 1.11 0.00 0.18 1.57 3.08 -1.53 -3.29 114.38 115.50 1wki h ARG 56 Ca 0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 1wki h ARG 56 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1wki h ARG 56 CO -0.18 0.70 -0.09 1.25 -1.07 0.00 0.00 179.97 180.59 1wki h HIS 57 N 0.00 -0.23 -1.28 3.04 2.76 -0.31 -3.41 115.15 115.73 1wki h HIS 57 Ca -0.01 -0.01 -0.57 0.00 -2.20 0.00 0.00 60.37 57.59 1wki h HIS 57 Cb 1.30 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.32 1wki h HIS 57 CO 0.00 -0.07 1.55 1.19 -1.30 0.00 0.00 177.93 179.29 1wki n PHE 58 N -5.16 1.48 -0.34 5.26 3.72 -0.99 -4.81 117.46 116.64 1wki n PHE 58 Ca -0.09 0.16 0.01 0.00 -0.05 0.00 0.00 57.45 57.48 1wki n PHE 58 Cb 0.15 -2.58 0.17 0.00 -0.94 0.00 0.00 39.48 36.28 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 15.12 1.16 -1.01 -1.08 3.08 -1.89 -1.60 114.38 128.16 1wki h ARG 59 Ca -0.26 -0.07 -0.55 0.00 0.07 0.00 0.00 59.98 59.17 1wki h ARG 59 Cb 1.29 -0.26 -0.29 0.00 0.08 0.00 0.00 29.97 30.78 1wki h ARG 59 CO 1.10 0.77 0.70 0.54 -1.07 0.00 0.00 179.97 182.01 1wki n ARG 60 N -4.44 2.33 -1.49 0.04 1.74 -1.26 -5.04 116.66 108.54 1wki n ARG 60 Ca 0.13 -2.97 0.15 0.00 -0.77 0.00 0.00 57.85 54.39 1wki n ARG 60 Cb 0.10 -2.16 -0.08 0.00 -1.02 0.00 0.00 32.46 29.29 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 -1.00 -3.54 3.56 -0.13 0.00 -0.60 -5.01 105.19 98.47 1wki n GLY 61 Ca 0.58 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -7.01 -0.30 -0.08 -0.02 0.00 -1.26 -4.70 107.32 93.94 1wki s GLY 62 Ca 0.00 1.70 0.01 0.00 0.00 0.00 0.00 44.72 46.43 1wki s GLY 62 CO 0.00 0.72 -0.10 -1.59 0.00 0.00 0.00 173.10 172.13 1wki s LYS 63 N -1.99 2.81 -0.01 2.90 -2.85 -1.26 -4.85 119.74 114.50 1wki s LYS 63 Ca 0.04 -0.61 0.06 0.00 -1.00 0.00 0.00 55.97 54.45 1wki s LYS 63 Cb -0.01 -2.55 -0.03 0.00 -2.06 0.00 0.00 37.83 33.19 1wki s LYS 63 CO -0.04 0.56 -0.18 0.42 0.10 0.00 0.00 175.35 176.22 1wki s ILE 64 N -0.55 2.78 -0.35 3.79 1.01 -1.26 -3.05 121.20 123.58 1wki s ILE 64 Ca 0.08 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 1wki s ILE 64 Cb -0.12 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.29 1wki s ILE 64 CO 0.02 0.48 0.12 -0.36 0.00 0.00 0.00 174.94 175.20 1wki s PHE 65 N -0.79 3.27 -0.13 3.97 0.40 0.23 -4.94 117.98 119.99 1wki s PHE 65 Ca 0.13 -1.46 -0.07 0.00 -0.60 0.00 0.00 56.93 54.92 1wki s PHE 65 Cb -0.10 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1wki s PHE 65 CO 0.02 -0.74 0.13 0.42 0.70 0.00 0.00 175.22 175.75 1wki s ILE 66 N 1.40 5.41 -0.10 0.64 -1.09 -1.26 -2.47 121.20 123.73 1wki s ILE 66 Ca -0.01 0.17 0.16 0.00 -2.23 0.00 0.00 60.65 58.75 1wki s ILE 66 Cb -0.20 -3.37 0.36 0.00 -1.58 0.00 0.00 42.46 37.67 1wki s ILE 66 CO 0.03 0.60 1.17 -1.14 -1.23 0.00 0.00 174.94 174.36 1wki n ARG 67 N 2.18 0.79 -5.13 2.79 3.00 -1.17 -5.04 116.66 114.07 1wki n ARG 67 Ca -0.19 -2.47 -0.30 0.00 -0.00 0.00 0.00 57.85 54.88 1wki n ARG 67 Cb 0.55 -0.89 -0.17 0.00 0.00 0.00 0.00 32.46 31.95 1wki n ARG 67 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1wki s ILE 68 N -1.64 1.89 -0.03 5.15 -4.36 -1.26 -5.03 121.20 115.93 1wki s ILE 68 Ca 0.31 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 1wki s ILE 68 Cb 0.32 -1.63 0.02 0.00 1.25 0.00 0.00 42.46 42.43 1wki s ILE 68 CO -0.09 0.53 -0.01 -0.36 0.24 0.00 0.00 174.94 175.25 1wki s PHE 69 N 0.16 0.34 -0.40 1.37 0.08 -1.26 -5.04 117.98 113.23 1wki s PHE 69 Ca -0.11 -0.02 -0.27 0.00 0.12 0.00 0.00 56.93 56.64 1wki s PHE 69 Cb -0.16 -0.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.86 1wki s PHE 69 CO 0.06 -0.11 2.19 -2.14 -0.10 0.00 0.00 175.22 175.12 1wki s PRO 70 N 0.80 2.66 0.01 0.24 0.02 -1.26 -4.38 135.00 133.08 1wki s PRO 70 Ca -0.08 1.50 -0.00 0.00 0.02 0.00 0.00 61.00 62.44 1wki s PRO 70 Cb -0.11 -4.44 -0.00 0.00 0.02 0.00 0.00 34.50 29.97 1wki s PRO 70 CO -0.01 -2.65 -0.00 -3.47 -0.33 0.00 0.00 177.00 170.54 1wki n ASP 71 N 13.41 0.07 -4.77 2.53 2.03 -0.92 -4.59 116.55 124.32 1wki n ASP 71 Ca 0.30 0.01 -0.39 0.00 0.52 0.00 0.00 54.79 55.24 1wki n ASP 71 Cb 0.50 -0.02 -0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1wki n ASP 71 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wki s LYS 72 N -2.00 3.86 0.67 -0.67 -0.14 -0.86 -4.74 119.74 115.86 1wki s LYS 72 Ca -0.00 2.03 -0.14 0.00 -1.36 0.00 0.00 55.97 56.49 1wki s LYS 72 Cb 0.00 -2.62 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 1wki s LYS 72 CO 0.00 -0.54 1.10 -1.25 -0.76 0.00 0.00 175.35 173.90 1wki s PRO 73 N -2.41 2.79 -0.39 -1.68 0.04 -1.26 -0.81 135.00 131.29 1wki s PRO 73 Ca 0.60 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1wki s PRO 73 Cb -0.35 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.34 1wki s PRO 73 CO 0.44 -1.25 0.15 -0.47 0.04 0.00 0.00 177.00 175.91 1wki s TYR 74 N -2.46 3.65 -0.19 0.56 6.14 -1.04 -4.72 117.35 119.30 1wki s TYR 74 Ca 0.65 -2.68 0.01 0.00 0.64 0.00 0.00 57.07 55.69 1wki s TYR 74 Cb -0.19 -3.10 0.02 0.00 0.42 0.00 0.00 41.96 39.11 1wki s TYR 74 CO 0.44 -0.96 -0.18 0.95 0.64 0.00 0.00 175.55 176.44 1wki s THR 75 N 0.99 2.19 1.16 4.34 -4.23 -1.26 -0.45 115.64 118.38 1wki s THR 75 Ca 0.10 -0.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.56 1wki s THR 75 Cb -0.21 -1.94 0.28 0.00 1.34 0.00 0.00 72.50 71.97 1wki s THR 75 CO -0.06 0.51 1.03 -0.54 -0.54 0.00 0.00 174.62 175.03 1wki s LYS 76 N 1.30 -0.89 -0.27 3.99 3.01 -1.26 -5.02 119.74 120.60 1wki s LYS 76 Ca 0.05 0.90 0.02 0.00 -1.01 0.00 0.00 55.97 55.92 1wki s LYS 76 Cb -0.13 -1.55 0.07 0.00 -1.01 0.00 0.00 37.83 35.21 1wki s LYS 76 CO -0.12 -3.72 -0.02 0.15 0.51 0.00 0.00 175.35 172.15 1wki s LYS 77 N -4.45 1.55 0.32 1.68 3.01 -1.26 -5.05 119.74 115.53 1wki s LYS 77 Ca 0.68 -1.24 -0.27 0.00 -1.01 0.00 0.00 55.97 54.14 1wki s LYS 77 Cb -0.25 -2.68 -0.13 0.00 -1.01 0.00 0.00 37.83 33.76 1wki s LYS 77 CO 0.64 -0.72 0.96 -2.30 0.51 0.00 0.00 175.35 174.44 1wki n PRO 78 N 4.57 1.26 -4.13 -1.68 -0.02 -1.26 -5.00 135.00 128.75 1wki n PRO 78 Ca -0.07 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.63 1wki n PRO 78 Cb 0.43 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1wki n PRO 78 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wki s LEU 79 N 0.44 3.48 0.56 2.45 1.43 -1.26 -5.00 118.68 120.79 1wki s LEU 79 Ca 0.60 -0.51 0.28 0.00 -1.03 0.00 0.00 54.13 53.46 1wki s LEU 79 Cb -0.67 -2.01 1.49 0.00 0.03 0.00 0.00 46.19 45.03 1wki s LEU 79 CO 0.59 -0.12 1.98 -0.33 0.23 0.00 0.00 176.35 178.70 1wki h GLU 80 N 1.59 0.00 -6.96 1.70 5.08 -2.08 -3.41 114.58 110.50 1wki h GLU 80 Ca -0.46 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.41 1wki h GLU 80 Cb 1.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 1wki h GLU 80 CO 0.61 0.00 0.20 0.08 -1.00 0.00 0.00 179.01 178.90 1wki s VAL 81 N -4.79 4.71 0.44 3.13 1.01 -1.26 -4.92 120.40 118.72 1wki s VAL 81 Ca -0.05 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1wki s VAL 81 Cb 0.17 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1wki s VAL 81 CO 0.63 -0.58 0.00 0.54 0.00 0.00 0.00 175.10 175.68 1wki n ARG 82 N -1.41 -2.55 -3.69 2.72 5.12 -1.26 -5.02 116.66 110.57 1wki n ARG 82 Ca 0.04 1.99 -0.12 0.00 -1.93 0.00 0.00 57.85 57.82 1wki n ARG 82 Cb 0.54 -3.01 -0.09 0.00 -1.16 0.00 0.00 32.46 28.74 1wki n ARG 82 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1wki s MET 83 N -3.48 0.58 0.00 5.56 -1.94 -1.26 -4.93 119.30 113.83 1wki s MET 83 Ca 0.00 0.77 0.00 0.00 -1.71 0.00 0.00 55.69 54.75 1wki s MET 83 Cb 0.00 0.23 0.00 0.00 2.01 0.00 0.00 34.83 37.07 1wki s MET 83 CO 0.00 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1wki n GLY 84 N 3.15 -2.36 0.01 -0.03 0.00 -1.26 -5.03 105.19 99.67 1wki n GLY 84 Ca -0.16 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.59 1wki n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wki n LYS 85 N 0.01 0.84 0.00 1.61 4.76 -1.26 -5.00 118.16 119.12 1wki n LYS 85 Ca 0.00 -0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1wki n LYS 85 Cb 0.00 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.65 1.81 2.95 0.72 0.00 -1.26 -4.49 105.19 106.57 1wki n GLY 86 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.65 -0.28 -1.63 1.61 4.76 -1.26 -4.72 118.16 115.99 1wki n LYS 87 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1wki n LYS 87 Cb 0.00 -3.39 0.00 0.00 -1.84 0.00 0.00 35.03 29.80 1wki n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wki n GLY 88 N -1.85 -4.72 3.16 0.72 0.00 -1.26 -5.05 105.19 96.19 1wki n GLY 88 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.05 1.34 -0.23 1.61 3.04 -1.26 -5.10 114.94 111.30 1wki s ASN 89 Ca 0.00 -0.78 -0.29 0.00 0.04 0.00 0.00 52.86 51.84 1wki s ASN 89 Cb 0.00 0.02 -0.04 0.00 -1.54 0.00 0.00 41.25 39.69 1wki s ASN 89 CO 0.00 -0.26 1.91 0.54 -3.04 0.00 0.00 177.10 176.25 1wki s VAL 90 N -2.31 3.32 -1.24 -5.21 0.11 -1.26 -4.69 120.40 109.12 1wki s VAL 90 Ca 0.03 0.35 -0.11 0.00 -2.93 0.00 0.00 61.98 59.31 1wki s VAL 90 Cb -0.04 -3.38 0.17 0.00 -1.53 0.00 0.00 36.38 31.61 1wki s VAL 90 CO -0.00 -0.20 1.65 -0.62 -3.33 0.00 0.00 175.10 172.59 1wki n GLU 91 N 8.26 3.51 -0.27 1.54 -0.58 0.40 -4.95 120.64 128.54 1wki n GLU 91 Ca 0.24 -3.71 0.04 0.00 -0.42 0.00 0.00 57.16 53.31 1wki n GLU 91 Cb 0.45 -2.98 -0.01 0.00 -0.57 0.00 0.00 31.44 28.34 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 3.42 -1.17 3.68 0.62 0.00 -1.26 -4.50 105.19 105.99 1wki n GLY 92 Ca 0.38 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 1wki n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wki s TYR 93 N -0.43 2.81 0.15 1.61 2.02 -1.26 -2.49 117.35 119.76 1wki s TYR 93 Ca 0.00 -0.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.45 1wki s TYR 93 Cb 0.00 -1.28 -0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1wki s TYR 93 CO 0.00 0.58 0.22 0.14 -1.57 0.00 0.00 175.55 174.92 1wki s VAL 94 N -2.13 0.08 -0.39 0.71 -7.23 0.01 -4.26 120.40 107.20 1wki s VAL 94 Ca 0.31 -1.48 -0.09 0.00 -1.81 0.00 0.00 61.98 58.91 1wki s VAL 94 Cb -0.07 -1.82 0.06 0.00 0.56 0.00 0.00 36.38 35.10 1wki s VAL 94 CO 0.20 -0.38 0.21 0.00 -0.31 0.00 0.00 175.10 174.82 1wki s ALA 95 N -3.97 3.22 0.16 1.32 0.00 -0.10 -2.02 121.76 120.37 1wki s ALA 95 Ca 0.17 -1.94 -0.31 0.00 0.00 0.00 0.00 51.96 49.88 1wki s ALA 95 Cb 0.04 -2.54 -0.09 0.00 0.00 0.00 0.00 23.12 20.53 1wki s ALA 95 CO -0.01 -1.50 1.45 0.08 0.00 0.00 0.00 175.76 175.78 1wki s VAL 96 N 1.45 2.95 0.23 0.00 1.01 -1.26 -2.27 120.40 122.50 1wki s VAL 96 Ca 0.02 0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.77 1wki s VAL 96 Cb -0.21 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1wki s VAL 96 CO 0.03 0.07 -0.11 -0.69 0.00 0.00 0.00 175.10 174.40 1wki s VAL 97 N 0.83 1.68 0.14 2.92 1.01 -0.73 -4.99 120.40 121.26 1wki s VAL 97 Ca 0.65 -2.18 0.05 0.00 0.00 0.00 0.00 61.98 60.50 1wki s VAL 97 Cb -0.40 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1wki s VAL 97 CO 0.34 -0.50 -0.11 -1.59 0.00 0.00 0.00 175.10 173.23 1wki s LYS 98 N -3.68 1.04 -0.23 2.72 -2.85 -1.26 -3.06 119.74 112.42 1wki s LYS 98 Ca 0.25 -1.37 -0.37 0.00 -1.00 0.00 0.00 55.97 53.48 1wki s LYS 98 Cb 0.01 -0.71 -0.13 0.00 -2.06 0.00 0.00 37.83 34.93 1wki s LYS 98 CO 0.08 0.11 1.89 -2.30 0.10 0.00 0.00 175.35 175.23 1wki n PRO 99 N 0.07 1.52 -0.32 1.78 -0.02 -1.22 -2.03 135.00 134.79 1wki n PRO 99 Ca -0.12 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1wki n PRO 99 Cb 0.59 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 4.78 1.58 3.33 -1.23 0.00 0.26 -4.92 105.19 108.99 1wki n GLY 100 Ca 0.28 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.29 3.26 -0.63 1.61 1.81 -0.86 -4.53 118.95 118.32 1wki s ARG 101 Ca 0.00 -0.72 -0.27 0.00 -1.72 0.00 0.00 55.73 53.02 1wki s ARG 101 Cb 0.00 -3.16 0.03 0.00 -0.45 0.00 0.00 34.95 31.37 1wki s ARG 101 CO 0.00 -0.30 1.17 0.08 -0.68 0.00 0.00 175.30 175.57 1wki s VAL 102 N 1.48 3.99 -0.15 3.52 1.01 -1.26 -1.02 120.40 127.97 1wki s VAL 102 Ca 0.04 0.60 0.17 0.00 0.00 0.00 0.00 61.98 62.79 1wki s VAL 102 Cb -0.16 -4.76 -0.24 0.00 0.00 0.00 0.00 36.38 31.22 1wki s VAL 102 CO -0.01 -1.48 0.26 1.15 0.00 0.00 0.00 175.10 175.02 1wki n MET 103 N 8.56 0.67 -4.34 2.72 0.00 -0.28 -4.82 117.12 119.63 1wki n MET 103 Ca 0.05 0.06 -0.23 0.00 0.00 0.00 0.00 57.70 57.58 1wki n MET 103 Cb 0.49 -1.60 -0.12 0.00 0.00 0.00 0.00 33.22 31.99 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 1.89 -0.21 3.17 0.40 -1.18 -3.06 117.98 116.42 1wki s PHE 104 Ca -0.08 -0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 55.69 1wki s PHE 104 Cb 0.07 -0.97 0.07 0.00 0.51 0.00 0.00 43.02 42.70 1wki s PHE 104 CO 0.83 0.33 0.51 -1.21 0.70 0.00 0.00 175.22 176.38 1wki s GLU 105 N -2.55 0.52 0.18 0.44 8.01 -1.03 0.10 118.70 124.37 1wki s GLU 105 Ca 0.14 0.94 0.11 0.00 0.01 0.00 0.00 54.97 56.18 1wki s GLU 105 Cb -0.07 0.05 -0.04 0.00 -4.31 0.00 0.00 34.13 29.75 1wki s GLU 105 CO 0.06 -0.15 -0.24 0.14 0.01 0.00 0.00 175.26 175.08 1wki s VAL 106 N 1.43 2.30 -0.09 2.63 -7.23 -1.14 0.76 120.40 119.07 1wki s VAL 106 Ca -0.09 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 57.98 1wki s VAL 106 Cb -0.07 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.82 1wki s VAL 106 CO -0.15 -0.09 0.32 0.00 -0.31 0.00 0.00 175.10 174.87 1wki s ALA 107 N -1.57 -0.79 0.00 1.32 0.00 -1.17 -1.20 121.76 118.35 1wki s ALA 107 Ca 0.19 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1wki s ALA 107 Cb -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1wki s ALA 107 CO 0.09 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1wki n GLY 108 N 2.43 3.08 3.87 0.00 0.00 -1.26 -4.05 105.19 109.26 1wki n GLY 108 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.45 4.78 0.95 1.61 -7.23 -1.26 -5.05 120.40 111.75 1wki s VAL 109 Ca 0.00 0.65 -0.12 0.00 -1.81 0.00 0.00 61.98 60.70 1wki s VAL 109 Cb 0.00 -3.71 0.16 0.00 0.56 0.00 0.00 36.38 33.39 1wki s VAL 109 CO 0.00 -0.45 1.09 0.42 -0.31 0.00 0.00 175.10 175.84 1wki s THR 110 N -2.29 2.43 0.24 5.32 -4.23 -1.26 -4.63 115.64 111.22 1wki s THR 110 Ca 0.51 0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 61.09 1wki s THR 110 Cb -0.10 -2.49 0.23 0.00 1.34 0.00 0.00 72.50 71.48 1wki s THR 110 CO 0.29 -0.18 1.92 -0.08 -0.54 0.00 0.00 174.62 176.02 1wki h GLU 111 N -1.81 1.24 -0.30 3.99 4.81 -1.97 0.86 114.58 121.40 1wki h GLU 111 Ca -0.51 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1wki h GLU 111 Cb 1.29 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1wki h GLU 111 CO 0.52 0.82 0.10 1.49 -0.73 0.00 0.00 179.01 181.21 1wki h GLU 112 N 1.28 0.46 -0.04 1.92 4.81 -1.98 0.60 114.58 121.64 1wki h GLU 112 Ca 0.34 -0.10 -0.22 0.00 -0.13 0.00 0.00 59.36 59.25 1wki h GLU 112 Cb -0.15 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.17 1wki h GLU 112 CO -0.07 0.51 -0.89 1.96 -0.73 0.00 0.00 179.01 179.78 1wki h GLN 113 N 0.33 0.51 -0.05 1.92 4.20 -1.84 -2.20 115.11 117.97 1wki h GLN 113 Ca 0.10 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.27 1wki h GLN 113 Cb 0.23 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1wki h GLN 113 CO -0.00 1.14 -0.11 0.00 -0.67 0.00 0.00 178.83 179.19 1wki h ALA 114 N 0.70 0.08 -0.21 3.87 0.00 0.83 -0.24 119.26 124.29 1wki h ALA 114 Ca -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1wki h ALA 114 Cb 1.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1wki h ALA 114 CO 0.16 -0.05 0.09 0.52 0.00 0.00 0.00 179.25 179.97 1wki h MET 115 N -0.35 0.31 -0.10 0.00 2.86 0.12 0.23 114.93 118.00 1wki h MET 115 Ca 0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1wki h MET 115 Cb 0.69 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1wki h MET 115 CO 0.02 0.36 0.03 1.49 1.06 0.00 0.00 176.91 179.87 1wki h GLU 116 N 0.19 0.16 -0.29 1.72 4.81 -1.47 -1.14 114.58 118.56 1wki h GLU 116 Ca 0.07 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1wki h GLU 116 Cb 0.16 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1wki h GLU 116 CO -0.01 0.30 0.05 0.00 -0.73 0.00 0.00 179.01 178.63 1wki h ALA 117 N 0.85 0.30 -0.08 2.92 0.00 -0.95 0.24 119.26 122.53 1wki h ALA 117 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1wki h ALA 117 Cb 0.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wki h ALA 117 CO -0.00 -0.36 -0.02 -0.07 0.00 0.00 0.00 179.25 178.80 1wki h LEU 118 N 0.16 0.10 -0.08 0.00 4.07 -0.86 -2.13 115.31 116.56 1wki h LEU 118 Ca 0.13 -0.01 -0.24 0.00 0.08 0.00 0.00 57.88 57.85 1wki h LEU 118 Cb 0.14 -0.03 0.02 0.00 1.08 0.00 0.00 40.66 41.87 1wki h LEU 118 CO -0.18 0.15 -0.88 -0.09 -1.08 0.00 0.00 178.44 176.35 1wki h ARG 119 N 0.12 0.75 -0.94 1.13 2.43 0.16 -3.16 114.38 114.86 1wki h ARG 119 Ca 0.03 -0.69 0.09 0.00 -0.81 0.00 0.00 59.98 58.60 1wki h ARG 119 Cb 0.12 0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.77 1wki h ARG 119 CO 0.00 1.28 0.61 0.82 -1.51 0.00 0.00 179.97 181.17 1wki h ILE 120 N 0.46 1.00 -0.64 1.20 2.04 0.07 0.18 117.51 121.81 1wki h ILE 120 Ca -0.09 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1wki h ILE 120 Cb 1.53 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1wki h ILE 120 CO 0.18 0.18 0.25 0.00 0.00 0.00 0.00 178.15 178.76 1wki h ALA 121 N 1.52 0.83 0.00 1.87 0.00 -1.49 -2.50 119.26 119.50 1wki h ALA 121 Ca 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1wki h ALA 121 Cb 0.35 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wki h ALA 121 CO -0.19 0.45 -0.12 0.78 0.00 0.00 0.00 179.25 180.17 1wki h GLY 122 N 0.90 0.00 0.81 0.00 0.00 -1.19 -3.22 103.07 100.37 1wki h GLY 122 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1wki h GLY 122 CO -0.02 0.00 0.63 0.84 0.00 0.00 0.00 176.54 177.99 1wki h HIS 123 N 0.00 1.18 -0.03 5.60 6.17 -0.22 -0.25 115.15 127.60 1wki h HIS 123 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1wki h HIS 123 Cb 0.90 -0.39 0.00 0.00 2.52 0.00 0.00 27.41 30.44 1wki h HIS 123 CO 0.00 0.65 0.00 0.36 0.71 0.00 0.00 177.93 179.65 1wki n LYS 124 N -4.49 1.56 -2.83 5.26 0.00 -1.22 -4.89 118.16 111.54 1wki n LYS 124 Ca 0.14 -0.82 -0.31 0.00 -0.00 0.00 0.00 58.31 57.32 1wki n LYS 124 Cb 0.13 -1.47 -0.04 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 -1.95 3.86 -0.10 -5.58 1.43 -0.10 -4.97 118.68 111.27 1wki s LEU 125 Ca 0.39 1.31 0.04 0.00 -1.03 0.00 0.00 54.13 54.83 1wki s LEU 125 Cb 0.21 -4.18 0.27 0.00 0.03 0.00 0.00 46.19 42.52 1wki s LEU 125 CO 0.33 -0.38 1.04 -0.81 0.23 0.00 0.00 176.35 176.75 1wki n PRO 126 N -1.06 2.11 -3.91 1.29 -0.04 -1.26 -4.87 135.00 127.25 1wki n PRO 126 Ca 0.04 -1.08 -0.09 0.00 -0.04 0.00 0.00 63.50 62.33 1wki n PRO 126 Cb 0.54 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.48 0.03 0.18 0.52 -5.25 -1.26 -4.94 121.20 109.00 1wki s ILE 127 Ca 0.19 -1.22 -0.30 0.00 -0.99 0.00 0.00 60.65 58.33 1wki s ILE 127 Cb 0.15 -1.92 -0.08 0.00 2.95 0.00 0.00 42.46 43.57 1wki s ILE 127 CO 0.05 -0.12 0.97 -0.54 -1.79 0.00 0.00 174.94 173.51 1wki s LYS 128 N -3.96 4.76 0.04 0.37 -0.14 -1.26 -4.92 119.74 114.63 1wki s LYS 128 Ca 0.17 1.51 -0.00 0.00 -1.36 0.00 0.00 55.97 56.29 1wki s LYS 128 Cb 0.00 -3.31 -0.03 0.00 -1.68 0.00 0.00 37.83 32.81 1wki s LYS 128 CO 0.03 0.34 -0.04 0.95 -0.76 0.00 0.00 175.35 175.87 1wki s THR 129 N -0.61 0.24 0.04 2.17 -4.23 -1.26 0.31 115.64 112.30 1wki s THR 129 Ca 0.44 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1wki s THR 129 Cb -0.26 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.67 1wki s THR 129 CO 0.32 -0.71 -0.02 -1.59 -0.54 0.00 0.00 174.62 172.08 1wki s LYS 130 N -2.59 0.53 0.14 3.99 -2.85 -0.82 -4.95 119.74 113.19 1wki s LYS 130 Ca -0.05 -1.03 -0.25 0.00 -1.00 0.00 0.00 55.97 53.64 1wki s LYS 130 Cb -0.02 0.18 -0.07 0.00 -2.06 0.00 0.00 37.83 35.86 1wki s LYS 130 CO -0.05 -0.10 0.75 0.42 0.10 0.00 0.00 175.35 176.48 1wki s ILE 131 N -3.20 4.46 -0.14 3.79 -1.09 -1.26 -2.12 121.20 121.64 1wki s ILE 131 Ca 0.00 1.64 -0.08 0.00 -2.23 0.00 0.00 60.65 59.98 1wki s ILE 131 Cb 0.03 -4.11 0.05 0.00 -1.58 0.00 0.00 42.46 36.85 1wki s ILE 131 CO -0.07 0.50 0.34 0.68 -1.23 0.00 0.00 174.94 175.16 1wki s VAL 132 N -0.98 -0.03 0.94 2.92 -7.23 -0.50 -4.97 120.40 110.55 1wki s VAL 132 Ca 0.35 0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.51 1wki s VAL 132 Cb -0.22 -0.51 0.15 0.00 0.56 0.00 0.00 36.38 36.36 1wki s VAL 132 CO 0.25 0.04 1.09 -0.60 -0.31 0.00 0.00 175.10 175.57 1wki s ARG 133 N 1.23 0.91 0.00 4.82 3.52 -1.25 0.31 118.95 128.49 1wki s ARG 133 Ca -0.09 0.83 0.00 0.00 -0.13 0.00 0.00 55.73 56.34 1wki s ARG 133 Cb -0.09 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.54 1wki s ARG 133 CO -0.10 -2.48 0.40 0.54 -0.81 0.00 0.00 175.30 172.85 1wki n ARG 134 N -4.05 0.00 -0.80 5.12 1.74 0.15 -1.70 116.66 117.12 1wki n ARG 134 Ca 0.07 0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 1wki n ARG 134 Cb 0.55 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.44 1wki n ARG 134 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wki n ASP 135 N -0.90 -0.63 -4.06 0.55 8.00 -1.26 -4.74 116.55 113.51 1wki n ASP 135 Ca 0.00 -1.50 -0.34 0.00 0.71 0.00 0.00 54.79 53.66 1wki n ASP 135 Cb 0.00 0.19 -0.12 0.00 -0.02 0.00 0.00 41.12 41.17 1wki n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wki s ALA 136 N 0.00 3.31 -0.16 2.24 0.00 -0.69 -5.06 121.76 121.40 1wki s ALA 136 Ca 0.00 -2.98 -0.00 0.00 0.00 0.00 0.00 51.96 48.98 1wki s ALA 136 Cb 0.00 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.78 1wki s ALA 136 CO 0.00 -1.95 -0.07 0.71 0.00 0.00 0.00 175.76 174.45 1wki s TYR 137 N 0.32 1.81 -0.33 0.00 1.51 -1.26 -3.92 117.35 115.47 1wki s TYR 137 Ca 0.14 -1.13 -0.01 0.00 -1.01 0.00 0.00 57.07 55.06 1wki s TYR 137 Cb -0.22 -1.37 0.07 0.00 -0.11 0.00 0.00 41.96 40.33 1wki s TYR 137 CO -0.03 -0.63 0.06 -0.51 -1.11 0.00 0.00 175.55 173.33 1wki s ASP 138 N 1.60 4.96 -0.08 2.29 1.11 -1.26 -5.08 116.67 120.21 1wki s ASP 138 Ca 0.01 -1.61 -0.30 0.00 0.18 0.00 0.00 52.55 50.84 1wki s ASP 138 Cb -0.15 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 1wki s ASP 138 CO -0.08 -0.35 1.41 -1.61 1.18 0.00 0.00 175.17 175.71 1wki s GLU 139 N 1.17 4.24 -0.81 8.23 0.41 -1.26 -4.96 118.70 125.72 1wki s GLU 139 Ca 0.00 1.90 -0.21 0.00 -0.41 0.00 0.00 54.97 56.26 1wki s GLU 139 Cb -0.21 -3.75 0.10 0.00 -1.78 0.00 0.00 34.13 28.49 1wki s GLU 139 CO -0.03 -0.68 1.07 0.00 -0.49 0.00 0.00 175.26 175.12 1wki s ALA 140 N 3.21 3.22 -2.86 5.21 0.00 -1.26 -5.37 121.76 123.91 1wki s ALA 140 Ca 0.63 -2.34 0.25 0.00 0.00 0.00 0.00 51.96 50.50 1wki s ALA 140 Cb -0.28 -3.99 0.43 0.00 0.00 0.00 0.00 23.12 19.28 1wki s ALA 140 CO 0.23 -2.92 1.39 0.94 0.00 0.00 0.00 175.76 175.40