#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 6.66 -3.65 4.03 0.00 -1.26 -4.74 117.00 118.04 1wki n LEU 2 Ca 0.00 -3.56 -0.29 0.00 0.00 0.00 0.00 56.01 52.15 1wki n LEU 2 Cb 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 43.42 42.46 1wki n LEU 2 CO 0.00 1.05 -0.26 -0.32 0.00 0.00 0.00 177.39 177.86 1wki s MET 3 N -3.19 1.14 0.97 1.96 1.75 -1.26 -5.13 119.30 115.54 1wki s MET 3 Ca 0.55 -1.90 -0.12 0.00 -1.25 0.00 0.00 55.69 52.97 1wki s MET 3 Cb 0.46 -2.10 0.17 0.00 2.84 0.00 0.00 34.83 36.20 1wki s MET 3 CO 0.10 -1.19 1.09 -1.25 -0.65 0.00 0.00 175.02 173.13 1wki s PRO 4 N 0.45 0.69 -0.16 4.11 0.04 -1.26 -5.08 135.00 133.78 1wki s PRO 4 Ca 0.19 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 1wki s PRO 4 Cb -0.22 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1wki s PRO 4 CO -0.01 -2.57 0.40 -0.98 0.04 0.00 0.00 177.00 173.88 1wki s ARG 5 N -4.98 0.43 0.00 4.56 1.70 -1.26 -5.04 118.95 114.36 1wki s ARG 5 Ca 0.65 0.68 0.00 0.00 -0.47 0.00 0.00 55.73 56.58 1wki s ARG 5 Cb -0.18 0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.29 1wki s ARG 5 CO 0.57 -0.11 0.00 0.54 -1.08 0.00 0.00 175.30 175.22 1wki n ARG 6 N 3.61 0.00 -2.14 3.89 1.74 -1.26 -5.02 116.66 117.47 1wki n ARG 6 Ca -0.19 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.49 1wki n ARG 6 Cb 0.56 -0.28 -0.03 0.00 -1.02 0.00 0.00 32.46 31.69 1wki n ARG 6 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1wki s MET 7 N -1.68 2.98 -0.10 5.56 1.75 -1.26 -4.74 119.30 121.81 1wki s MET 7 Ca 0.00 0.71 0.04 0.00 -1.25 0.00 0.00 55.69 55.19 1wki s MET 7 Cb 0.00 -4.27 -0.09 0.00 2.84 0.00 0.00 34.83 33.31 1wki s MET 7 CO 0.00 -2.31 -0.03 1.17 -0.65 0.00 0.00 175.02 173.20 1wki n LYS 8 N 8.89 1.50 -4.56 4.11 4.81 -1.26 -4.98 118.16 126.66 1wki n LYS 8 Ca 0.18 0.03 -0.33 0.00 -0.87 0.00 0.00 58.31 57.32 1wki n LYS 8 Cb 0.50 -1.22 -0.14 0.00 0.02 0.00 0.00 35.03 34.19 1wki n LYS 8 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1wki s TYR 9 N -2.21 2.85 -0.18 5.64 1.51 -1.26 -5.10 117.35 118.60 1wki s TYR 9 Ca -0.09 -0.72 -0.24 0.00 -1.01 0.00 0.00 57.07 55.00 1wki s TYR 9 Cb 0.03 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1wki s TYR 9 CO 0.31 -0.29 0.80 1.03 -1.11 0.00 0.00 175.55 176.29 1wki s ARG 10 N 0.60 4.28 0.22 -0.62 0.52 -1.26 -4.95 118.95 117.74 1wki s ARG 10 Ca -0.07 0.95 -0.08 0.00 -0.52 0.00 0.00 55.73 56.01 1wki s ARG 10 Cb -0.15 -3.58 0.16 0.00 0.52 0.00 0.00 34.95 31.90 1wki s ARG 10 CO 0.03 -0.32 1.79 0.87 0.02 0.00 0.00 175.30 177.69 1wki h LYS 11 N 7.36 1.20 -7.08 3.54 1.57 -2.04 -3.43 116.57 117.69 1wki h LYS 11 Ca -0.29 -0.20 -0.45 0.00 -1.87 0.00 0.00 60.65 57.83 1wki h LYS 11 Cb 1.13 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1wki h LYS 11 CO 0.83 0.95 0.36 -1.14 -0.57 0.00 0.00 179.45 179.87 1wki s GLN 12 N -5.61 4.06 -0.21 3.15 2.00 -1.26 -5.05 119.66 116.74 1wki s GLN 12 Ca -0.12 1.16 -0.03 0.00 -2.00 0.00 0.00 55.36 54.37 1wki s GLN 12 Cb 0.16 -2.15 -0.00 0.00 0.80 0.00 0.00 33.01 31.82 1wki s GLN 12 CO 0.84 -0.18 -0.08 1.14 -0.50 0.00 0.00 175.29 176.50 1wki s GLN 13 N -3.33 3.29 -0.08 1.67 -2.07 -1.26 -4.96 119.66 112.92 1wki s GLN 13 Ca 0.63 -0.67 0.22 0.00 -1.82 0.00 0.00 55.36 53.71 1wki s GLN 13 Cb -0.11 -2.89 0.44 0.00 -1.09 0.00 0.00 33.01 29.36 1wki s GLN 13 CO 0.18 -0.17 1.18 2.89 -1.32 0.00 0.00 175.29 178.04 1wki n ARG 14 N 4.67 0.62 -3.46 9.60 1.85 -1.26 -5.08 116.66 123.60 1wki n ARG 14 Ca -0.19 -2.49 -0.14 0.00 -1.00 0.00 0.00 57.85 54.03 1wki n ARG 14 Cb 0.51 -0.57 -0.04 0.00 -1.05 0.00 0.00 32.46 31.31 1wki n ARG 14 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1wki s GLY 15 N -2.49 -0.59 0.47 2.89 0.00 -1.26 -5.18 107.32 101.16 1wki s GLY 15 Ca 0.35 0.77 0.05 0.00 0.00 0.00 0.00 44.72 45.89 1wki s GLY 15 CO -0.13 0.43 0.14 0.50 0.00 0.00 0.00 173.10 174.04 1wki s ARG 16 N -2.84 2.18 -1.14 2.90 3.00 -1.26 -5.06 118.95 116.73 1wki s ARG 16 Ca -0.03 -2.09 -0.16 0.00 0.00 0.00 0.00 55.73 53.44 1wki s ARG 16 Cb -0.01 -1.81 0.13 0.00 0.00 0.00 0.00 34.95 33.26 1wki s ARG 16 CO -0.05 -0.28 1.42 -1.17 0.00 0.00 0.00 175.30 175.22 1wki s LEU 17 N -3.94 4.71 -0.25 2.53 1.98 -1.26 -4.74 118.68 117.71 1wki s LEU 17 Ca 0.28 -2.55 0.13 0.00 -2.89 0.00 0.00 54.13 49.10 1wki s LEU 17 Cb 0.03 -2.45 0.58 0.00 0.66 0.00 0.00 46.19 45.02 1wki s LEU 17 CO 0.16 -0.96 1.54 2.29 -1.89 0.00 0.00 176.35 177.48 1wki n LYS 18 N 6.62 2.85 -1.54 1.98 2.85 -1.26 -4.98 118.16 124.69 1wki n LYS 18 Ca 0.36 -3.00 -0.00 0.00 -1.05 0.00 0.00 58.31 54.61 1wki n LYS 18 Cb 0.46 -1.94 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 1wki n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wki n GLY 19 N -0.58 -0.76 3.31 2.58 0.00 -1.26 -5.07 105.19 103.41 1wki n GLY 19 Ca 0.30 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.03 2.58 -0.46 4.61 0.00 -1.26 -5.08 121.76 121.12 1wki s ALA 20 Ca 0.01 -1.00 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 1wki s ALA 20 Cb -0.00 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.87 1wki s ALA 20 CO 0.02 0.03 0.85 0.95 0.00 0.00 0.00 175.76 177.61 1wki s THR 21 N 0.72 4.57 -0.19 0.00 -4.23 -1.26 -4.86 115.64 110.38 1wki s THR 21 Ca -0.06 0.57 0.22 0.00 -1.18 0.00 0.00 61.69 61.23 1wki s THR 21 Cb -0.15 -4.37 0.48 0.00 1.34 0.00 0.00 72.50 69.79 1wki s THR 21 CO 0.02 -0.77 1.14 2.29 -0.54 0.00 0.00 174.62 176.75 1wki n LYS 22 N 6.92 1.45 0.00 3.99 -0.00 -1.26 -5.06 118.16 124.20 1wki n LYS 22 Ca 0.04 -3.17 0.00 0.00 -0.00 0.00 0.00 58.31 55.18 1wki n LYS 22 Cb 0.48 -1.25 0.00 0.00 -0.00 0.00 0.00 35.03 34.26 1wki n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wki n GLY 23 N -0.34 3.56 0.00 2.58 0.00 -1.26 -5.17 105.19 104.55 1wki n GLY 23 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1wki n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wki n GLY 24 N 0.00 -0.30 0.94 -0.02 0.00 -1.26 -5.06 105.19 99.49 1wki n GLY 24 Ca 0.00 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.37 -1.10 -3.65 1.61 9.92 -1.16 -5.07 116.55 116.74 1wki n ASP 25 Ca 0.00 -0.74 -0.22 0.00 -0.53 0.00 0.00 54.79 53.30 1wki n ASP 25 Cb 0.00 -0.27 -0.17 0.00 -0.64 0.00 0.00 41.12 40.04 1wki n ASP 25 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1wki s TYR 26 N -1.56 0.09 0.16 1.24 6.14 -1.26 -5.02 117.35 117.13 1wki s TYR 26 Ca 0.19 0.09 0.03 0.00 0.64 0.00 0.00 57.07 58.01 1wki s TYR 26 Cb -0.02 -0.54 0.44 0.00 0.42 0.00 0.00 41.96 42.27 1wki s TYR 26 CO 0.14 -0.31 0.79 0.28 0.64 0.00 0.00 175.55 177.10 1wki n VAL 27 N 5.29 -0.21 0.00 3.14 0.31 -1.15 -4.68 118.33 121.03 1wki n VAL 27 Ca -0.04 1.09 0.00 0.00 -0.01 0.00 0.00 64.34 65.37 1wki n VAL 27 Cb 0.50 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 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 -3.25 0.00 -2.56 3.52 0.00 -1.26 -4.72 120.51 112.24 1wki n ALA 28 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 1wki n ALA 28 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1wki n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1wki s PHE 29 N 0.00 2.62 0.14 0.00 0.08 -1.26 -5.05 117.98 114.50 1wki s PHE 29 Ca 0.00 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1wki s PHE 29 Cb 0.00 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.17 1wki s PHE 29 CO 0.00 0.51 0.00 0.41 -0.10 0.00 0.00 175.22 176.04 1wki n GLY 30 N 0.08 -2.70 0.12 4.36 0.00 -1.26 -4.76 105.19 101.03 1wki n GLY 30 Ca -0.11 -1.36 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.32 0.42 -1.39 1.61 5.19 -1.14 -3.41 116.42 117.38 1wki h ASP 31 Ca -0.04 -0.80 -0.49 0.00 -0.62 0.00 0.00 57.03 55.08 1wki h ASP 31 Cb 0.31 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 1wki h ASP 31 CO 0.02 1.16 -0.34 -0.31 -3.12 0.00 0.00 179.24 176.66 1wki s TYR 32 N -3.05 2.57 -0.27 4.55 2.02 -0.75 0.10 117.35 122.53 1wki s TYR 32 Ca -0.14 -0.52 -0.24 0.00 -0.37 0.00 0.00 57.07 55.80 1wki s TYR 32 Cb 0.02 -2.19 0.07 0.00 -0.40 0.00 0.00 41.96 39.46 1wki s TYR 32 CO 0.80 -0.26 0.71 0.20 -1.57 0.00 0.00 175.55 175.42 1wki s GLY 33 N -4.21 -0.54 -0.38 0.71 0.00 0.36 -2.67 107.32 100.59 1wki s GLY 33 Ca 0.49 2.02 -0.14 0.00 0.00 0.00 0.00 44.72 47.09 1wki s GLY 33 CO 0.29 1.75 0.28 -2.27 0.00 0.00 0.00 173.10 173.15 1wki s LEU 34 N 0.43 4.84 -0.02 0.66 1.98 0.14 -0.85 118.68 125.87 1wki s LEU 34 Ca -0.00 -0.68 -0.03 0.00 -2.89 0.00 0.00 54.13 50.53 1wki s LEU 34 Cb -0.05 -2.16 -0.04 0.00 0.66 0.00 0.00 46.19 44.60 1wki s LEU 34 CO 0.00 -0.36 0.16 0.54 -1.89 0.00 0.00 176.35 174.80 1wki s VAL 35 N 1.72 5.33 -0.41 1.68 0.11 -0.90 -0.17 120.40 127.75 1wki s VAL 35 Ca 0.06 -0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 58.76 1wki s VAL 35 Cb -0.18 -3.47 0.02 0.00 -1.53 0.00 0.00 36.38 31.22 1wki s VAL 35 CO 0.10 0.36 0.48 0.00 -3.33 0.00 0.00 175.10 172.71 1wki s ALA 36 N -1.28 3.42 -2.03 1.54 0.00 -0.15 -2.29 121.76 120.97 1wki s ALA 36 Ca 0.25 -1.39 0.15 0.00 0.00 0.00 0.00 51.96 50.97 1wki s ALA 36 Cb -0.12 -3.09 0.83 0.00 0.00 0.00 0.00 23.12 20.74 1wki s ALA 36 CO 0.17 -1.57 1.55 1.28 0.00 0.00 0.00 175.76 177.18 1wki n LEU 37 N 5.74 0.25 -3.73 0.00 4.77 0.12 0.12 117.00 124.26 1wki n LEU 37 Ca -0.06 -0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 1wki n LEU 37 Cb 0.48 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1wki n LEU 37 CO 0.47 0.05 0.08 -0.70 -1.33 0.00 0.00 177.39 175.96 1wki s GLU 38 N -1.96 0.64 0.26 3.23 2.12 -1.24 -4.53 118.70 117.22 1wki s GLU 38 Ca 0.23 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.35 1wki s GLU 38 Cb 0.11 0.29 -0.10 0.00 0.26 0.00 0.00 34.13 34.69 1wki s GLU 38 CO 0.18 -0.16 1.43 -2.14 -0.54 0.00 0.00 175.26 174.03 1wki s PRO 39 N -0.82 4.27 0.20 4.30 0.02 -1.26 -4.36 135.00 137.35 1wki s PRO 39 Ca -0.09 2.30 -0.23 0.00 0.02 0.00 0.00 61.00 63.00 1wki s PRO 39 Cb -0.04 -3.10 0.06 0.00 0.02 0.00 0.00 34.50 31.44 1wki s PRO 39 CO 0.04 -0.40 0.91 0.00 -0.33 0.00 0.00 177.00 177.22 1wki s ALA 40 N -0.18 -1.48 -0.35 -1.55 0.00 -1.11 -4.88 121.76 112.21 1wki s ALA 40 Ca 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1wki s ALA 40 Cb -0.42 0.70 0.07 0.00 0.00 0.00 0.00 23.12 23.47 1wki s ALA 40 CO 0.45 -1.04 0.10 -1.58 0.00 0.00 0.00 175.76 173.69 1wki s TRP 41 N -3.14 3.38 -0.25 0.00 0.51 -1.26 -1.24 118.94 116.94 1wki s TRP 41 Ca 0.14 -1.97 -0.26 0.00 -2.12 0.00 0.00 56.10 51.89 1wki s TRP 41 Cb -0.03 -2.56 0.00 0.00 -0.81 0.00 0.00 33.47 30.07 1wki s TRP 41 CO 0.04 -0.85 0.90 0.42 -0.51 0.00 0.00 176.95 176.95 1wki s ILE 42 N 1.25 4.77 0.83 2.03 -1.09 -0.90 -4.69 121.20 123.39 1wki s ILE 42 Ca 0.00 1.68 -0.12 0.00 -2.23 0.00 0.00 60.65 59.98 1wki s ILE 42 Cb -0.21 -4.19 0.09 0.00 -1.58 0.00 0.00 42.46 36.57 1wki s ILE 42 CO -0.01 -0.14 1.17 0.42 -1.23 0.00 0.00 174.94 175.15 1wki s THR 43 N 3.00 2.04 0.19 2.92 -4.23 -1.26 0.99 115.64 119.29 1wki s THR 43 Ca 0.38 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.78 1wki s THR 43 Cb -0.15 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.83 1wki s THR 43 CO 0.08 -0.02 1.85 0.00 -0.54 0.00 0.00 174.62 175.99 1wki h ALA 44 N -1.13 0.80 -0.91 3.99 0.00 -1.96 -2.39 119.26 117.66 1wki h ALA 44 Ca -0.47 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1wki h ALA 44 Cb 1.33 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1wki h ALA 44 CO 0.65 0.18 0.60 1.96 0.00 0.00 0.00 179.25 182.64 1wki h GLN 45 N 0.80 1.14 -0.54 0.00 1.08 -1.93 -1.95 115.11 113.72 1wki h GLN 45 Ca 0.24 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.40 1wki h GLN 45 Cb -0.04 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.10 1wki h GLN 45 CO -0.07 0.76 0.36 1.96 -0.95 0.00 0.00 178.83 180.88 1wki h GLN 46 N 1.18 0.59 -0.01 1.46 4.20 -1.80 2.36 115.11 123.09 1wki h GLN 46 Ca 0.35 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 1wki h GLN 46 Cb -0.03 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1wki h GLN 46 CO -0.10 0.39 -0.02 0.82 -0.67 0.00 0.00 178.83 179.25 1wki h ILE 47 N 0.61 1.45 0.07 2.54 2.04 -1.30 -2.59 117.51 120.33 1wki h ILE 47 Ca 0.22 -1.35 -0.16 0.00 1.00 0.00 0.00 64.86 64.57 1wki h ILE 47 Cb 0.11 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1wki h ILE 47 CO -0.06 0.36 -0.80 -0.08 0.00 0.00 0.00 178.15 177.56 1wki h GLU 48 N -0.51 0.15 -0.45 2.37 4.57 -1.18 -3.06 114.58 116.46 1wki h GLU 48 Ca 0.00 -0.25 0.06 0.00 -1.18 0.00 0.00 59.36 57.99 1wki h GLU 48 Cb 0.59 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.22 1wki h GLU 48 CO 0.01 1.12 0.14 0.00 -1.18 0.00 0.00 179.01 179.10 1wki h ALA 49 N -0.07 0.53 -0.57 2.92 0.00 0.38 -0.68 119.26 121.79 1wki h ALA 49 Ca -0.18 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1wki h ALA 49 Cb 1.43 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1wki h ALA 49 CO 0.02 -0.25 0.07 0.00 0.00 0.00 0.00 179.25 179.10 1wki h ALA 50 N 1.31 0.75 -0.72 0.00 0.00 -1.50 -2.94 119.26 116.17 1wki h ALA 50 Ca 0.22 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wki h ALA 50 Cb 0.23 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1wki h ALA 50 CO -0.23 0.52 0.46 -0.09 0.00 0.00 0.00 179.25 179.90 1wki h ARG 51 N 0.84 0.90 -0.64 0.00 2.43 -1.29 -0.32 114.38 116.30 1wki h ARG 51 Ca 0.17 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1wki h ARG 51 Cb 0.44 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1wki h ARG 51 CO 0.01 0.59 0.42 0.28 -1.51 0.00 0.00 179.97 179.77 1wki h VAL 52 N 0.92 1.02 0.05 0.20 2.07 -0.98 0.48 116.25 120.02 1wki h VAL 52 Ca 0.28 -0.22 -0.27 0.00 0.82 0.00 0.00 66.70 67.30 1wki h VAL 52 Cb -0.04 0.31 0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1wki h VAL 52 CO -0.08 0.12 -1.11 0.00 0.02 0.00 0.00 177.57 176.51 1wki h ALA 53 N 1.65 0.13 0.03 1.67 0.00 -1.20 -2.92 119.26 118.63 1wki h ALA 53 Ca 0.27 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wki h ALA 53 Cb 0.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wki h ALA 53 CO -0.08 0.74 -0.01 0.52 0.00 0.00 0.00 179.25 180.41 1wki h MET 54 N 0.29 -0.04 -0.87 0.00 2.07 -0.30 -1.71 114.93 114.37 1wki h MET 54 Ca -0.14 0.00 0.08 0.00 -2.07 0.00 0.00 59.70 57.57 1wki h MET 54 Cb 1.77 0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 31.45 1wki h MET 54 CO 0.21 0.50 0.56 0.28 1.07 0.00 0.00 176.91 179.53 1wki h VAL 55 N -0.61 1.02 0.00 -2.22 2.07 -0.20 -0.92 116.25 115.39 1wki h VAL 55 Ca -0.00 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 1wki h VAL 55 Cb 0.56 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1wki h VAL 55 CO 0.01 0.17 -0.71 0.03 0.02 0.00 0.00 177.57 177.08 1wki h ARG 56 N 0.92 0.00 -0.39 1.57 3.08 -1.54 -3.25 114.38 114.77 1wki h ARG 56 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1wki h ARG 56 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1wki h ARG 56 CO -0.15 0.71 0.26 1.25 -1.07 0.00 0.00 179.97 180.97 1wki h HIS 57 N 0.00 0.49 -2.03 3.04 2.76 -0.20 -3.42 115.15 115.79 1wki h HIS 57 Ca -0.01 0.01 -0.62 0.00 -2.20 0.00 0.00 60.37 57.55 1wki h HIS 57 Cb 1.30 -0.17 0.04 0.00 1.55 0.00 0.00 27.41 30.13 1wki h HIS 57 CO 0.00 0.32 0.89 1.19 -1.30 0.00 0.00 177.93 179.03 1wki n PHE 58 N -4.81 2.19 0.03 5.26 3.72 -1.06 -4.87 117.46 117.91 1wki n PHE 58 Ca 0.00 0.23 -0.10 0.00 -0.05 0.00 0.00 57.45 57.53 1wki n PHE 58 Cb 0.03 -2.56 0.03 0.00 -0.94 0.00 0.00 39.48 36.03 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 7.24 0.49 -0.71 -1.08 3.08 -1.90 -3.18 114.38 118.33 1wki h ARG 59 Ca -0.47 -0.37 -0.42 0.00 0.07 0.00 0.00 59.98 58.79 1wki h ARG 59 Cb 1.28 0.07 -0.24 0.00 0.08 0.00 0.00 29.97 31.16 1wki h ARG 59 CO 0.91 1.00 0.22 0.54 -1.07 0.00 0.00 179.97 181.56 1wki n ARG 60 N -3.89 2.32 -0.83 0.04 1.74 -1.26 -5.07 116.66 109.71 1wki n ARG 60 Ca -0.04 -3.28 0.11 0.00 -0.77 0.00 0.00 57.85 53.86 1wki n ARG 60 Cb 0.68 -2.07 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 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 -1.05 -2.12 0.00 -0.13 0.00 -1.20 -5.00 105.19 95.69 1wki n GLY 61 Ca 0.48 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.33 2.21 3.51 -0.02 0.00 -1.26 -4.63 105.19 101.68 1wki n GLY 62 Ca -0.01 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 2.29 0.01 1.61 -2.85 -1.26 -4.81 119.74 112.73 1wki s LYS 63 Ca 0.00 -0.86 0.08 0.00 -1.00 0.00 0.00 55.97 54.19 1wki s LYS 63 Cb 0.00 -2.33 -0.02 0.00 -2.06 0.00 0.00 37.83 33.42 1wki s LYS 63 CO 0.00 0.57 -0.26 0.42 0.10 0.00 0.00 175.35 176.18 1wki s ILE 64 N -0.95 2.06 -0.25 3.79 1.01 -1.26 -3.14 121.20 122.46 1wki s ILE 64 Ca 0.16 -1.20 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 1wki s ILE 64 Cb -0.11 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1wki s ILE 64 CO 0.06 0.49 -0.01 -0.36 0.00 0.00 0.00 174.94 175.12 1wki s PHE 65 N -0.68 3.03 -0.15 3.97 0.40 -0.36 -4.98 117.98 119.21 1wki s PHE 65 Ca 0.10 -1.03 -0.07 0.00 -0.60 0.00 0.00 56.93 55.34 1wki s PHE 65 Cb -0.10 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1wki s PHE 65 CO 0.00 -0.58 0.08 0.42 0.70 0.00 0.00 175.22 175.85 1wki s ILE 66 N 1.46 4.98 -0.15 0.64 -1.09 -1.26 -2.70 121.20 123.08 1wki s ILE 66 Ca 0.04 0.02 0.11 0.00 -2.23 0.00 0.00 60.65 58.59 1wki s ILE 66 Cb -0.15 -3.20 -0.16 0.00 -1.58 0.00 0.00 42.46 37.36 1wki s ILE 66 CO -0.02 0.53 0.01 0.54 -1.23 0.00 0.00 174.94 174.77 1wki n ARG 67 N 2.88 1.48 -2.05 2.79 5.12 -1.20 -4.99 116.66 120.68 1wki n ARG 67 Ca -0.18 0.01 -0.40 0.00 -1.93 0.00 0.00 57.85 55.36 1wki n ARG 67 Cb 0.53 -1.36 -0.01 0.00 -1.16 0.00 0.00 32.46 30.46 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 -2.35 2.61 -0.06 0.55 -4.36 -1.26 -5.04 121.20 111.30 1wki s ILE 68 Ca -0.10 0.56 -0.04 0.00 -0.26 0.00 0.00 60.65 60.81 1wki s ILE 68 Cb 0.05 -3.34 0.03 0.00 1.25 0.00 0.00 42.46 40.45 1wki s ILE 68 CO 0.55 0.10 0.14 0.12 0.24 0.00 0.00 174.94 176.09 1wki s PHE 69 N -1.23 -0.15 -0.28 1.37 2.19 -1.26 -5.06 117.98 113.55 1wki s PHE 69 Ca 0.55 0.42 -0.28 0.00 0.33 0.00 0.00 56.93 57.95 1wki s PHE 69 Cb -0.39 -0.02 -0.03 0.00 -1.31 0.00 0.00 43.02 41.27 1wki s PHE 69 CO 0.50 -0.12 1.96 -1.25 1.83 0.00 0.00 175.22 178.15 1wki s PRO 70 N 0.65 3.26 0.03 10.12 0.04 -1.26 -4.35 135.00 143.49 1wki s PRO 70 Ca -0.05 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1wki s PRO 70 Cb -0.07 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1wki s PRO 70 CO -0.03 -1.95 0.00 -3.47 0.04 0.00 0.00 177.00 171.59 1wki n ASP 71 N 10.83 0.18 -4.77 6.66 -0.08 -0.26 -4.77 116.55 124.34 1wki n ASP 71 Ca 0.26 0.05 -0.41 0.00 -1.51 0.00 0.00 54.79 53.18 1wki n ASP 71 Cb 0.46 -0.04 -0.02 0.00 2.34 0.00 0.00 41.12 43.86 1wki n ASP 71 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1wki s LYS 72 N -2.00 4.35 0.76 -0.67 2.20 -1.03 -4.83 119.74 118.52 1wki s LYS 72 Ca 0.00 2.22 -0.12 0.00 -0.36 0.00 0.00 55.97 57.71 1wki s LYS 72 Cb 0.00 -3.08 0.05 0.00 -1.51 0.00 0.00 37.83 33.29 1wki s LYS 72 CO 0.00 -0.21 1.11 -1.25 -0.36 0.00 0.00 175.35 174.64 1wki s PRO 73 N -1.56 2.20 -0.39 4.03 0.04 -1.26 -1.78 135.00 136.28 1wki s PRO 73 Ca 0.50 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.89 1wki s PRO 73 Cb -0.40 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.38 1wki s PRO 73 CO 0.51 -1.70 0.17 -0.47 0.04 0.00 0.00 177.00 175.54 1wki s TYR 74 N -2.66 2.37 -0.21 0.56 6.14 -0.95 -4.71 117.35 117.89 1wki s TYR 74 Ca 0.64 -2.42 0.01 0.00 0.64 0.00 0.00 57.07 55.94 1wki s TYR 74 Cb -0.20 -2.14 0.03 0.00 0.42 0.00 0.00 41.96 40.07 1wki s TYR 74 CO 0.52 -0.83 -0.16 0.95 0.64 0.00 0.00 175.55 176.67 1wki s THR 75 N 0.74 2.20 -0.29 4.34 -4.23 -1.26 -1.61 115.64 115.53 1wki s THR 75 Ca 0.14 -1.14 0.20 0.00 -1.18 0.00 0.00 61.69 59.71 1wki s THR 75 Cb -0.22 -2.05 0.48 0.00 1.34 0.00 0.00 72.50 72.06 1wki s THR 75 CO -0.09 0.34 1.12 0.29 -0.54 0.00 0.00 174.62 175.74 1wki n LYS 76 N 4.57 1.53 -1.68 3.99 5.02 -1.26 -5.06 118.16 125.27 1wki n LYS 76 Ca -0.18 -3.18 -0.43 0.00 -2.02 0.00 0.00 58.31 52.50 1wki n LYS 76 Cb 0.47 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 1wki n LYS 76 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wki s LYS 77 N -3.14 3.20 0.03 1.97 3.01 -1.26 -4.87 119.74 118.69 1wki s LYS 77 Ca 0.25 1.95 -0.20 0.00 -1.01 0.00 0.00 55.97 56.96 1wki s LYS 77 Cb 0.37 -4.33 -0.17 0.00 -1.01 0.00 0.00 37.83 32.69 1wki s LYS 77 CO -0.03 -2.02 1.25 -1.00 0.51 0.00 0.00 175.35 174.06 1wki h PRO 78 N 14.52 0.42 -6.32 -1.68 0.13 -1.98 -3.45 132.00 133.64 1wki h PRO 78 Ca -0.40 -0.30 -0.49 0.00 -0.87 0.00 0.00 66.00 63.94 1wki h PRO 78 Cb 1.23 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wki h PRO 78 CO 0.97 0.92 -0.31 -0.51 -0.23 0.00 0.00 178.00 178.83 1wki s LEU 79 N -8.78 4.18 0.17 1.56 1.02 -1.26 -5.01 118.68 110.56 1wki s LEU 79 Ca -0.14 0.31 0.06 0.00 0.02 0.00 0.00 54.13 54.38 1wki s LEU 79 Cb 0.05 -3.12 0.01 0.00 0.02 0.00 0.00 46.19 43.15 1wki s LEU 79 CO 0.79 -0.14 1.40 -0.33 0.02 0.00 0.00 176.35 178.08 1wki h GLU 80 N 1.30 0.08 -6.38 1.70 5.08 -2.04 -3.44 114.58 110.88 1wki h GLU 80 Ca -0.50 -0.09 -0.54 0.00 -1.00 0.00 0.00 59.36 57.23 1wki h GLU 80 Cb 1.21 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1wki h GLU 80 CO 0.63 0.89 0.21 0.08 -1.00 0.00 0.00 179.01 179.82 1wki s VAL 81 N -3.12 4.64 -0.29 3.13 1.01 -1.26 -5.04 120.40 119.47 1wki s VAL 81 Ca -0.01 1.74 -0.24 0.00 0.00 0.00 0.00 61.98 63.47 1wki s VAL 81 Cb 0.11 -4.17 0.15 0.00 0.00 0.00 0.00 36.38 32.47 1wki s VAL 81 CO 0.81 0.37 1.17 -0.60 0.00 0.00 0.00 175.10 176.85 1wki s ARG 82 N -0.15 0.34 0.77 2.72 6.06 -1.26 -5.05 118.95 122.39 1wki s ARG 82 Ca 0.40 0.42 -0.03 0.00 -2.50 0.00 0.00 55.73 54.02 1wki s ARG 82 Cb -0.21 0.16 0.15 0.00 0.06 0.00 0.00 34.95 35.11 1wki s ARG 82 CO 0.25 -0.04 1.06 -1.64 -2.50 0.00 0.00 175.30 172.43 1wki s MET 83 N 0.24 1.42 0.00 5.12 -1.94 -1.26 -4.53 119.30 118.34 1wki s MET 83 Ca 0.04 -1.10 0.00 0.00 -1.71 0.00 0.00 55.69 52.92 1wki s MET 83 Cb -0.05 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.53 1wki s MET 83 CO -0.10 -1.67 0.00 0.41 -0.01 0.00 0.00 175.02 173.65 1wki n GLY 84 N -3.01 1.02 1.73 -0.03 0.00 -1.26 -4.59 105.19 99.05 1wki n GLY 84 Ca 0.16 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 4.40 0.00 1.61 4.76 -1.24 -4.95 118.16 122.74 1wki n LYS 85 Ca 0.00 -3.06 0.00 0.00 -2.87 0.00 0.00 58.31 52.38 1wki n LYS 85 Cb 0.00 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.07 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 0.74 2.76 1.27 0.72 0.00 -1.26 -4.69 105.19 104.73 1wki n GLY 86 Ca 0.27 -0.82 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 1wki n GLY 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wki n LYS 87 N 0.00 0.11 -3.47 1.61 4.81 -1.26 -4.85 118.16 115.11 1wki n LYS 87 Ca 0.00 -1.36 0.01 0.00 -0.87 0.00 0.00 58.31 56.09 1wki n LYS 87 Cb 0.00 0.30 -0.03 0.00 0.02 0.00 0.00 35.03 35.32 1wki n LYS 87 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1wki s GLY 88 N -1.36 -0.82 -0.03 3.14 0.00 -1.26 -5.03 107.32 101.95 1wki s GLY 88 Ca 0.11 2.17 0.03 0.00 0.00 0.00 0.00 44.72 47.03 1wki s GLY 88 CO -0.06 3.18 -0.11 0.21 0.00 0.00 0.00 173.10 176.32 1wki s ASN 89 N 2.89 1.45 -0.02 1.64 2.47 -1.26 -3.70 114.94 118.41 1wki s ASN 89 Ca 0.03 -0.23 -0.15 0.00 0.42 0.00 0.00 52.86 52.93 1wki s ASN 89 Cb -0.13 -0.43 -0.05 0.00 -1.45 0.00 0.00 41.25 39.18 1wki s ASN 89 CO -0.20 0.08 0.42 0.54 -3.72 0.00 0.00 177.10 174.22 1wki s VAL 90 N 0.23 5.05 -0.55 -5.21 0.11 -1.26 -4.93 120.40 113.85 1wki s VAL 90 Ca -0.05 0.86 -0.02 0.00 -2.93 0.00 0.00 61.98 59.84 1wki s VAL 90 Cb -0.10 -3.73 0.32 0.00 -1.53 0.00 0.00 36.38 31.34 1wki s VAL 90 CO 0.01 0.54 2.10 -0.62 -3.33 0.00 0.00 175.10 173.80 1wki n GLU 91 N 2.12 2.36 0.00 1.54 -0.58 -0.63 -5.01 120.64 120.43 1wki n GLU 91 Ca -0.13 -2.62 0.00 0.00 -0.42 0.00 0.00 57.16 53.99 1wki n GLU 91 Cb 0.52 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 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 -0.28 -2.19 3.50 0.62 0.00 -1.26 -4.78 105.19 100.80 1wki n GLY 92 Ca 0.49 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1wki n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wki s TYR 93 N -0.31 2.24 0.25 1.61 2.02 -1.26 -2.24 117.35 119.67 1wki s TYR 93 Ca 0.00 -0.53 -0.01 0.00 -0.37 0.00 0.00 57.07 56.16 1wki s TYR 93 Cb 0.00 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1wki s TYR 93 CO 0.00 0.52 0.25 0.14 -1.57 0.00 0.00 175.55 174.88 1wki s VAL 94 N -2.71 0.00 -0.28 0.71 -7.23 -0.73 -3.49 120.40 106.66 1wki s VAL 94 Ca 0.31 -1.88 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1wki s VAL 94 Cb 0.02 -2.48 0.08 0.00 0.56 0.00 0.00 36.38 34.55 1wki s VAL 94 CO 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 174.90 1wki s ALA 95 N -3.85 2.50 0.16 1.32 0.00 0.28 -1.11 121.76 121.06 1wki s ALA 95 Ca 0.36 -1.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.07 1wki s ALA 95 Cb 0.04 -1.69 -0.11 0.00 0.00 0.00 0.00 23.12 21.37 1wki s ALA 95 CO 0.16 -1.39 1.74 0.08 0.00 0.00 0.00 175.76 176.36 1wki s VAL 96 N 1.12 2.37 0.21 0.00 1.01 -1.26 -2.12 120.40 121.72 1wki s VAL 96 Ca -0.01 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1wki s VAL 96 Cb -0.19 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1wki s VAL 96 CO -0.07 0.00 -0.14 -0.69 0.00 0.00 0.00 175.10 174.20 1wki s VAL 97 N 1.90 1.73 0.12 2.92 1.01 -0.37 -4.99 120.40 122.72 1wki s VAL 97 Ca 0.77 -2.21 0.05 0.00 0.00 0.00 0.00 61.98 60.59 1wki s VAL 97 Cb -0.47 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1wki s VAL 97 CO 0.34 -0.59 -0.12 -0.54 0.00 0.00 0.00 175.10 174.18 1wki s LYS 98 N -3.65 0.97 -0.32 2.72 1.02 -1.26 -2.74 119.74 116.49 1wki s LYS 98 Ca 0.23 -1.23 -0.38 0.00 0.02 0.00 0.00 55.97 54.60 1wki s LYS 98 Cb -0.01 -0.76 -0.14 0.00 -0.52 0.00 0.00 37.83 36.40 1wki s LYS 98 CO 0.07 0.14 1.98 -0.35 -0.92 0.00 0.00 175.35 176.26 1wki n PRO 99 N 0.48 1.09 -0.07 -1.68 -0.04 -1.23 -2.19 135.00 131.36 1wki n PRO 99 Ca -0.15 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1wki n PRO 99 Cb 0.58 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 5.51 1.31 3.20 0.55 0.00 0.32 -4.91 105.19 111.17 1wki n GLY 100 Ca 0.35 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.45 3.16 -0.58 1.61 6.06 -0.93 -2.97 118.95 124.85 1wki s ARG 101 Ca 0.00 -0.74 -0.28 0.00 -2.50 0.00 0.00 55.73 52.21 1wki s ARG 101 Cb 0.00 -2.75 0.01 0.00 0.06 0.00 0.00 34.95 32.27 1wki s ARG 101 CO 0.00 -0.19 1.51 0.08 -2.50 0.00 0.00 175.30 174.20 1wki s VAL 102 N 1.34 3.67 -0.08 7.11 1.01 -1.26 -0.97 120.40 131.22 1wki s VAL 102 Ca 0.05 0.53 0.14 0.00 0.00 0.00 0.00 61.98 62.70 1wki s VAL 102 Cb -0.14 -4.34 -0.23 0.00 0.00 0.00 0.00 36.38 31.67 1wki s VAL 102 CO -0.08 -1.15 0.56 0.23 0.00 0.00 0.00 175.10 174.65 1wki n MET 103 N 8.84 0.64 -4.26 2.72 0.00 0.76 -4.72 117.12 121.09 1wki n MET 103 Ca 0.14 0.24 -0.14 0.00 0.00 0.00 0.00 57.70 57.93 1wki n MET 103 Cb 0.50 -1.74 -0.10 0.00 0.00 0.00 0.00 33.22 31.87 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 -2.59 1.30 -0.30 2.03 0.40 -1.10 -3.21 117.98 114.50 1wki s PHE 104 Ca -0.06 -0.91 -0.10 0.00 -0.60 0.00 0.00 56.93 55.26 1wki s PHE 104 Cb 0.08 -0.72 0.17 0.00 0.51 0.00 0.00 43.02 43.05 1wki s PHE 104 CO 0.83 -0.08 0.85 -1.83 0.70 0.00 0.00 175.22 175.69 1wki s GLU 105 N -3.85 0.38 0.38 0.44 1.03 -1.10 0.23 118.70 116.23 1wki s GLU 105 Ca 0.22 0.82 0.07 0.00 0.03 0.00 0.00 54.97 56.11 1wki s GLU 105 Cb 0.05 0.48 0.00 0.00 -0.80 0.00 0.00 34.13 33.86 1wki s GLU 105 CO 0.04 -0.28 0.53 0.14 -1.33 0.00 0.00 175.26 174.35 1wki s VAL 106 N 2.76 3.44 -0.27 1.83 -7.23 -1.09 -1.22 120.40 118.62 1wki s VAL 106 Ca 0.03 -1.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.96 1wki s VAL 106 Cb -0.10 -3.17 0.07 0.00 0.56 0.00 0.00 36.38 33.74 1wki s VAL 106 CO -0.17 -0.06 0.71 0.00 -0.31 0.00 0.00 175.10 175.26 1wki s ALA 107 N -2.28 -1.75 0.00 1.32 0.00 -1.19 -0.53 121.76 117.33 1wki s ALA 107 Ca 0.51 2.01 0.00 0.00 0.00 0.00 0.00 51.96 54.48 1wki s ALA 107 Cb -0.10 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1wki s ALA 107 CO 0.32 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1wki n GLY 108 N 2.75 3.00 3.90 0.00 0.00 -1.26 -4.04 105.19 109.54 1wki n GLY 108 Ca -0.14 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.60 3.40 0.93 1.61 -7.23 -1.26 -5.04 120.40 110.21 1wki s VAL 109 Ca 0.00 0.19 -0.13 0.00 -1.81 0.00 0.00 61.98 60.23 1wki s VAL 109 Cb 0.00 -3.41 0.15 0.00 0.56 0.00 0.00 36.38 33.68 1wki s VAL 109 CO 0.00 -0.48 1.17 0.42 -0.31 0.00 0.00 175.10 175.90 1wki s THR 110 N -3.20 1.96 0.20 5.32 -4.23 -1.26 -4.75 115.64 109.68 1wki s THR 110 Ca 0.57 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.01 1wki s THR 110 Cb -0.11 -2.79 0.06 0.00 1.34 0.00 0.00 72.50 71.00 1wki s THR 110 CO 0.48 0.00 1.65 -0.08 -0.54 0.00 0.00 174.62 176.13 1wki h GLU 111 N -1.57 0.96 -0.29 3.99 4.81 -1.97 0.54 114.58 121.05 1wki h GLU 111 Ca -0.48 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 58.40 1wki h GLU 111 Cb 1.31 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1wki h GLU 111 CO 0.56 0.99 0.08 0.93 -0.73 0.00 0.00 179.01 180.84 1wki h GLU 112 N 0.87 0.46 -0.04 1.92 3.07 -1.98 0.62 114.58 119.50 1wki h GLU 112 Ca 0.15 -0.11 -0.24 0.00 -0.50 0.00 0.00 59.36 58.66 1wki h GLU 112 Cb 0.60 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1wki h GLU 112 CO 0.04 0.53 -0.93 1.96 -1.40 0.00 0.00 179.01 179.21 1wki h GLN 113 N 0.30 0.61 -0.08 2.33 1.08 -1.92 -2.03 115.11 115.40 1wki h GLN 113 Ca 0.09 -0.60 -0.03 0.00 -1.45 0.00 0.00 58.65 56.66 1wki h GLN 113 Cb 0.27 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1wki h GLN 113 CO -0.00 1.21 -0.06 0.00 -0.95 0.00 0.00 178.83 179.03 1wki h ALA 114 N 0.59 0.12 0.11 3.87 0.00 0.15 0.09 119.26 124.20 1wki h ALA 114 Ca -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1wki h ALA 114 Cb 1.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1wki h ALA 114 CO 0.18 -0.08 -0.05 0.52 0.00 0.00 0.00 179.25 179.81 1wki h MET 115 N -0.21 -0.14 -0.14 0.00 2.86 0.17 0.45 114.93 117.93 1wki h MET 115 Ca 0.02 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1wki h MET 115 Cb 0.55 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1wki h MET 115 CO 0.02 0.03 0.08 1.49 1.06 0.00 0.00 176.91 179.59 1wki h GLU 116 N -0.30 0.18 -0.23 1.72 4.81 -1.43 -0.58 114.58 118.76 1wki h GLU 116 Ca -0.02 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1wki h GLU 116 Cb 0.24 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1wki h GLU 116 CO 0.03 0.15 0.05 0.00 -0.73 0.00 0.00 179.01 178.51 1wki h ALA 117 N 1.02 0.24 0.00 2.92 0.00 -0.92 0.93 119.26 123.45 1wki h ALA 117 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wki h ALA 117 Cb 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wki h ALA 117 CO -0.01 -0.37 -0.04 -0.07 0.00 0.00 0.00 179.25 178.77 1wki h LEU 118 N 0.15 0.00 -0.11 0.00 4.07 -0.71 -1.69 115.31 117.03 1wki h LEU 118 Ca 0.10 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.82 1wki h LEU 118 Cb 0.09 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.85 1wki h LEU 118 CO -0.13 0.04 -0.89 -0.09 -1.08 0.00 0.00 178.44 176.28 1wki h ARG 119 N 0.00 0.73 -0.74 1.13 2.43 0.31 -3.12 114.38 115.12 1wki h ARG 119 Ca -0.00 -0.67 0.05 0.00 -0.81 0.00 0.00 59.98 58.55 1wki h ARG 119 Cb 0.07 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 1wki h ARG 119 CO 0.00 1.27 0.44 0.82 -1.51 0.00 0.00 179.97 181.00 1wki h ILE 120 N 0.46 1.02 -0.61 1.20 2.04 0.06 0.80 117.51 122.49 1wki h ILE 120 Ca -0.08 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1wki h ILE 120 Cb 1.53 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1wki h ILE 120 CO 0.18 0.15 0.40 0.00 0.00 0.00 0.00 178.15 178.88 1wki h ALA 121 N 1.36 0.77 0.00 1.87 0.00 -1.49 -1.93 119.26 119.84 1wki h ALA 121 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wki h ALA 121 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wki h ALA 121 CO -0.16 0.19 0.00 0.78 0.00 0.00 0.00 179.25 180.06 1wki h GLY 122 N 0.81 0.00 1.01 0.00 0.00 -1.32 -3.20 103.07 100.37 1wki h GLY 122 Ca 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 1wki h GLY 122 CO -0.06 0.00 0.35 0.84 0.00 0.00 0.00 176.54 177.68 1wki h HIS 123 N 0.00 1.03 -0.06 5.60 6.17 -0.03 -1.73 115.15 126.12 1wki h HIS 123 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.03 1wki h HIS 123 Cb 0.70 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.31 1wki h HIS 123 CO 0.00 0.76 0.00 0.36 0.71 0.00 0.00 177.93 179.76 1wki n LYS 124 N -4.43 1.42 -2.47 5.26 0.00 -1.20 -4.88 118.16 111.85 1wki n LYS 124 Ca 0.06 -0.62 -0.29 0.00 -0.00 0.00 0.00 58.31 57.46 1wki n LYS 124 Cb 0.13 -1.41 -0.01 0.00 -0.00 0.00 0.00 35.03 33.74 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 -1.74 3.57 -0.10 -5.58 1.43 -0.65 -4.97 118.68 110.64 1wki s LEU 125 Ca 0.35 1.16 0.06 0.00 -1.03 0.00 0.00 54.13 54.67 1wki s LEU 125 Cb 0.18 -4.12 0.36 0.00 0.03 0.00 0.00 46.19 42.64 1wki s LEU 125 CO 0.28 -0.61 1.06 -0.81 0.23 0.00 0.00 176.35 176.51 1wki n PRO 126 N -2.09 2.68 -3.87 1.29 -0.04 -1.26 -4.88 135.00 126.82 1wki n PRO 126 Ca 0.03 -1.38 -0.09 0.00 -0.04 0.00 0.00 63.50 62.01 1wki n PRO 126 Cb 0.54 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 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 -1.77 0.03 0.39 0.52 -5.25 -1.26 -4.93 121.20 108.92 1wki s ILE 127 Ca 0.24 -1.11 -0.24 0.00 -0.99 0.00 0.00 60.65 58.55 1wki s ILE 127 Cb 0.18 -1.83 -0.09 0.00 2.95 0.00 0.00 42.46 43.67 1wki s ILE 127 CO 0.07 -0.13 1.03 -0.54 -1.79 0.00 0.00 174.94 173.58 1wki s LYS 128 N -3.94 4.25 -0.02 0.37 -0.14 -1.26 -4.90 119.74 114.10 1wki s LYS 128 Ca 0.15 1.46 -0.13 0.00 -1.36 0.00 0.00 55.97 56.09 1wki s LYS 128 Cb -0.00 -2.57 0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1wki s LYS 128 CO 0.01 -0.06 0.27 0.95 -0.76 0.00 0.00 175.35 175.77 1wki s THR 129 N -1.67 0.06 0.17 2.17 -4.23 -1.26 0.11 115.64 110.99 1wki s THR 129 Ca 0.57 -0.48 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1wki s THR 129 Cb -0.21 -0.56 -0.05 0.00 1.34 0.00 0.00 72.50 73.03 1wki s THR 129 CO 0.26 -0.26 -0.05 -1.59 -0.54 0.00 0.00 174.62 172.44 1wki s LYS 130 N -1.22 1.11 0.12 3.99 0.00 -0.97 -4.96 119.74 117.81 1wki s LYS 130 Ca -0.13 -1.51 -0.16 0.00 0.00 0.00 0.00 55.97 54.17 1wki s LYS 130 Cb -0.05 -0.48 -0.07 0.00 0.00 0.00 0.00 37.83 37.23 1wki s LYS 130 CO 0.03 -0.03 0.56 0.42 0.00 0.00 0.00 175.35 176.34 1wki s ILE 131 N -3.47 4.80 -0.09 3.79 -1.09 -1.26 -2.12 121.20 121.77 1wki s ILE 131 Ca 0.21 1.00 -0.07 0.00 -2.23 0.00 0.00 60.65 59.56 1wki s ILE 131 Cb 0.05 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1wki s ILE 131 CO 0.03 0.37 0.22 0.68 -1.23 0.00 0.00 174.94 175.01 1wki s VAL 132 N -1.32 -0.01 -0.26 2.92 -7.23 -0.03 -4.96 120.40 109.51 1wki s VAL 132 Ca 0.34 0.02 -0.14 0.00 -1.81 0.00 0.00 61.98 60.40 1wki s VAL 132 Cb -0.17 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 1wki s VAL 132 CO 0.19 0.01 0.31 -0.60 -0.31 0.00 0.00 175.10 174.70 1wki s ARG 133 N 0.27 4.02 0.21 4.82 3.52 -1.25 0.13 118.95 130.66 1wki s ARG 133 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 1wki s ARG 133 Cb -0.03 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 1wki s ARG 133 CO -0.01 -0.20 0.00 0.54 -0.81 0.00 0.00 175.30 174.82 1wki n ARG 134 N 5.10 0.00 -1.89 5.12 5.12 0.29 0.84 116.66 131.23 1wki n ARG 134 Ca -0.10 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.47 1wki n ARG 134 Cb 0.51 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.85 1wki n ARG 134 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1wki n ASP 135 N 3.62 6.76 -4.07 0.55 2.03 -1.26 -2.95 116.55 121.22 1wki n ASP 135 Ca 0.00 -3.79 -0.35 0.00 0.52 0.00 0.00 54.79 51.17 1wki n ASP 135 Cb 0.00 -0.85 -0.12 0.00 -0.72 0.00 0.00 41.12 39.43 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 -3.86 3.32 -0.15 -1.67 0.00 0.25 -5.06 121.76 114.59 1wki s ALA 136 Ca 0.54 -2.94 -0.00 0.00 0.00 0.00 0.00 51.96 49.56 1wki s ALA 136 Cb 0.45 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 21.17 1wki s ALA 136 CO -0.23 -1.94 -0.10 0.71 0.00 0.00 0.00 175.76 174.21 1wki s TYR 137 N 0.41 1.89 0.26 0.00 1.51 -1.26 -3.94 117.35 116.22 1wki s TYR 137 Ca 0.13 -1.10 0.08 0.00 -1.01 0.00 0.00 57.07 55.17 1wki s TYR 137 Cb -0.22 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1wki s TYR 137 CO -0.04 -0.62 0.09 0.34 -1.11 0.00 0.00 175.55 174.21 1wki s ASP 138 N 1.57 5.01 -0.48 2.29 2.15 -1.26 -5.04 116.67 120.92 1wki s ASP 138 Ca 0.03 -0.46 -0.27 0.00 0.43 0.00 0.00 52.55 52.29 1wki s ASP 138 Cb -0.14 -1.11 -0.05 0.00 -0.30 0.00 0.00 42.92 41.32 1wki s ASP 138 CO -0.09 -0.02 2.18 -1.61 -0.17 0.00 0.00 175.17 175.47 1wki s GLU 139 N -3.75 2.48 -0.81 4.34 2.02 -1.26 -4.89 118.70 116.83 1wki s GLU 139 Ca 0.32 1.27 -0.26 0.00 0.02 0.00 0.00 54.97 56.33 1wki s GLU 139 Cb -0.07 -4.47 0.01 0.00 0.10 0.00 0.00 34.13 29.70 1wki s GLU 139 CO 0.22 -2.86 1.55 0.00 0.02 0.00 0.00 175.26 174.18 1wki s ALA 140 N 10.42 2.46 0.00 5.21 0.00 -1.26 -5.31 121.76 133.28 1wki s ALA 140 Ca 0.88 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1wki s ALA 140 Cb -0.18 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1wki s ALA 140 CO 0.26 -3.72 0.00 1.04 0.00 0.00 0.00 175.76 173.34