#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkl s GLU 2 N 0.00 3.73 0.08 2.12 2.12 -1.26 -4.83 118.70 120.66 1wkl s GLU 2 Ca 0.00 2.43 0.03 0.00 0.36 0.00 0.00 54.97 57.80 1wkl s GLU 2 Cb 0.00 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 1wkl s GLU 2 CO 0.00 -0.79 -0.10 1.03 -0.54 0.00 0.00 175.26 174.87 1wkl s ARG 3 N -2.41 0.77 0.03 4.30 0.52 -1.26 -1.96 118.95 118.93 1wkl s ARG 3 Ca 0.60 -1.06 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1wkl s ARG 3 Cb -0.44 -0.48 -0.02 0.00 0.52 0.00 0.00 34.95 34.53 1wkl s ARG 3 CO 0.57 0.08 -0.01 -0.08 0.02 0.00 0.00 175.30 175.88 1wkl s THR 4 N -2.19 0.13 -0.10 0.02 -1.32 -0.50 -4.73 115.64 106.94 1wkl s THR 4 Ca 0.02 -1.07 -0.10 0.00 -1.21 0.00 0.00 61.69 59.33 1wkl s THR 4 Cb -0.04 -0.55 -0.05 0.00 -1.51 0.00 0.00 72.50 70.35 1wkl s THR 4 CO -0.00 -0.59 0.23 0.12 -2.21 0.00 0.00 174.62 172.17 1wkl s PHE 5 N -1.98 3.59 0.03 9.09 5.36 -1.26 -1.11 117.98 131.70 1wkl s PHE 5 Ca -0.11 0.64 0.03 0.00 -0.96 0.00 0.00 56.93 56.53 1wkl s PHE 5 Cb -0.06 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.49 1wkl s PHE 5 CO -0.03 0.59 -0.10 0.08 -1.46 0.00 0.00 175.22 174.31 1wkl s VAL 6 N -0.68 0.74 -0.04 3.12 1.01 -0.04 -1.31 120.40 123.20 1wkl s VAL 6 Ca 0.17 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1wkl s VAL 6 Cb -0.13 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1wkl s VAL 6 CO 0.06 -0.10 0.02 -0.32 0.00 0.00 0.00 175.10 174.76 1wkl s MET 7 N -1.02 0.26 -0.39 2.72 1.75 -0.32 -0.97 119.30 121.33 1wkl s MET 7 Ca -0.02 0.16 -0.21 0.00 -1.25 0.00 0.00 55.69 54.36 1wkl s MET 7 Cb -0.07 -0.58 0.01 0.00 2.84 0.00 0.00 34.83 37.03 1wkl s MET 7 CO 0.01 -0.22 0.66 0.42 -0.65 0.00 0.00 175.02 175.24 1wkl s ILE 8 N 1.48 4.83 1.11 10.11 1.01 0.50 -0.60 121.20 139.64 1wkl s ILE 8 Ca -0.03 0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.93 1wkl s ILE 8 Cb -0.13 -4.15 0.25 0.00 0.01 0.00 0.00 42.46 38.44 1wkl s ILE 8 CO -0.03 -0.46 1.05 -0.54 0.00 0.00 0.00 174.94 174.97 1wkl s LYS 9 N 2.84 -0.49 0.33 2.79 1.02 0.08 -1.65 119.74 124.66 1wkl s LYS 9 Ca 0.25 0.67 0.09 0.00 0.02 0.00 0.00 55.97 57.01 1wkl s LYS 9 Cb -0.14 -1.62 0.84 0.00 -0.52 0.00 0.00 37.83 36.40 1wkl s LYS 9 CO 0.17 -3.39 1.78 -1.35 -0.92 0.00 0.00 175.35 171.64 1wkl h PRO 10 N -2.38 0.64 -0.26 -1.68 0.11 -1.82 -1.58 132.00 125.03 1wkl h PRO 10 Ca -0.59 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.44 1wkl h PRO 10 Cb 1.34 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1wkl h PRO 10 CO 0.54 0.42 0.01 0.38 -0.21 0.00 0.00 178.00 179.14 1wkl h ASP 11 N 0.66 0.44 -0.87 -2.05 2.03 -1.90 -0.17 116.42 114.57 1wkl h ASP 11 Ca 0.57 -0.30 0.02 0.00 -0.73 0.00 0.00 57.03 56.59 1wkl h ASP 11 Cb 1.03 -0.12 -0.04 0.00 -0.83 0.00 0.00 39.33 39.37 1wkl h ASP 11 CO -0.35 0.63 0.57 1.23 -1.03 0.00 0.00 179.24 180.30 1wkl h GLY 12 N 0.24 1.22 0.84 7.15 0.00 -1.53 0.32 103.07 111.32 1wkl h GLY 12 Ca 0.07 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1wkl h GLY 12 CO 0.01 0.42 -0.26 -2.08 0.00 0.00 0.00 176.54 174.63 1wkl h VAL 13 N 1.14 1.34 -0.02 4.60 2.07 -1.20 -1.30 116.25 122.88 1wkl h VAL 13 Ca 0.33 -1.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 1wkl h VAL 13 Cb -0.09 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1wkl h VAL 13 CO -0.08 0.45 -0.26 0.03 0.02 0.00 0.00 177.57 177.73 1wkl h ARG 14 N 0.17 0.04 -0.11 1.57 3.08 -0.55 -2.27 114.38 116.31 1wkl h ARG 14 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1wkl h ARG 14 Cb 0.83 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1wkl h ARG 14 CO 0.06 0.30 0.00 0.54 -1.07 0.00 0.00 179.97 179.80 1wkl n ARG 15 N -4.22 1.54 -3.32 0.04 1.74 0.06 -4.94 116.66 107.57 1wkl n ARG 15 Ca -0.02 -0.81 -0.18 0.00 -0.77 0.00 0.00 57.85 56.07 1wkl n ARG 15 Cb 0.32 -1.38 0.07 0.00 -1.02 0.00 0.00 32.46 30.45 1wkl n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wkl n GLY 16 N 1.05 -0.25 0.79 -0.13 0.00 -0.85 -4.95 105.19 100.86 1wkl n GLY 16 Ca 0.16 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1wkl n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wkl n LEU 17 N -3.96 2.66 0.18 0.99 4.77 -0.51 -4.70 117.00 116.44 1wkl n LEU 17 Ca -0.07 -1.05 -0.14 0.00 -0.03 0.00 0.00 56.01 54.72 1wkl n LEU 17 Cb 0.58 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1wkl n LEU 17 CO 0.52 0.47 0.65 0.58 -1.33 0.00 0.00 177.39 178.28 1wkl h VAL 18 N 3.80 0.33 -0.20 4.08 2.07 -1.89 -1.49 116.25 122.95 1wkl h VAL 18 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1wkl h VAL 18 Cb 0.81 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1wkl h VAL 18 CO 0.00 0.00 0.06 1.23 0.02 0.00 0.00 177.57 178.88 1wkl h GLY 19 N -0.63 0.24 0.43 2.17 0.00 -1.97 0.19 103.07 103.50 1wkl h GLY 19 Ca -0.00 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.38 1wkl h GLY 19 CO -0.10 0.02 0.28 0.83 0.00 0.00 0.00 176.54 177.58 1wkl h GLU 20 N 0.15 0.48 -0.18 4.80 5.08 -1.84 0.28 114.58 123.35 1wkl h GLU 20 Ca 0.09 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1wkl h GLU 20 Cb 0.06 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1wkl h GLU 20 CO -0.09 0.32 -0.24 0.82 -1.00 0.00 0.00 179.01 178.81 1wkl h ILE 21 N 0.49 1.34 -0.61 3.13 2.04 -1.01 -2.86 117.51 120.03 1wkl h ILE 21 Ca 0.32 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1wkl h ILE 21 Cb 0.37 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1wkl h ILE 21 CO -0.29 0.44 0.32 0.25 0.00 0.00 0.00 178.15 178.87 1wkl h LEU 22 N 0.13 0.76 -1.09 1.44 5.85 -0.53 -2.05 115.31 119.82 1wkl h LEU 22 Ca 0.02 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1wkl h LEU 22 Cb 0.81 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1wkl h LEU 22 CO 0.06 0.63 0.38 0.00 -0.34 0.00 0.00 178.44 179.16 1wkl h ALA 23 N 1.50 1.30 -0.97 1.25 0.00 -0.35 -1.73 119.26 120.25 1wkl h ALA 23 Ca 0.22 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1wkl h ALA 23 Cb 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1wkl h ALA 23 CO -0.03 0.56 0.64 0.00 0.00 0.00 0.00 179.25 180.41 1wkl h ARG 24 N 1.01 1.23 -0.15 0.00 3.08 -1.14 0.83 114.38 119.24 1wkl h ARG 24 Ca 0.25 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.05 1wkl h ARG 24 Cb 0.05 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 1wkl h ARG 24 CO -0.04 0.81 -0.65 0.74 -1.07 0.00 0.00 179.97 179.77 1wkl h PHE 25 N 1.27 0.71 -0.28 3.04 0.04 -1.27 -1.45 116.94 118.99 1wkl h PHE 25 Ca 0.37 -0.28 -0.18 0.00 2.80 0.00 0.00 57.97 60.68 1wkl h PHE 25 Cb -0.06 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1wkl h PHE 25 CO -0.00 1.04 -0.53 0.93 -0.60 0.00 0.00 178.31 179.15 1wkl h GLU 26 N 0.40 0.86 -0.67 1.51 5.08 -1.02 -2.21 114.58 118.52 1wkl h GLU 26 Ca -0.01 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1wkl h GLU 26 Cb 1.22 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1wkl h GLU 26 CO 0.12 1.18 0.41 -0.09 -1.00 0.00 0.00 179.01 179.63 1wkl h ARG 27 N 0.64 0.90 0.00 2.33 2.43 -0.81 -0.50 114.38 119.36 1wkl h ARG 27 Ca 0.01 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1wkl h ARG 27 Cb 1.14 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1wkl h ARG 27 CO 0.12 0.63 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.63 1wkl h LYS 28 N 0.92 0.00 0.00 0.20 1.63 -1.05 -3.47 116.57 114.80 1wkl h LYS 28 Ca 0.24 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1wkl h LYS 28 Cb -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1wkl h LYS 28 CO -0.05 0.36 0.00 0.41 -3.45 0.00 0.00 179.45 176.72 1wkl n GLY 29 N -0.39 0.88 3.80 5.01 0.00 -0.20 -5.09 105.19 109.20 1wkl n GLY 29 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1wkl n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wkl s PHE 30 N -2.00 3.00 -0.11 1.61 0.08 -0.88 -4.98 117.98 114.70 1wkl s PHE 30 Ca 0.00 1.52 -0.09 0.00 0.12 0.00 0.00 56.93 58.48 1wkl s PHE 30 Cb 0.00 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 1wkl s PHE 30 CO 0.00 -1.07 0.20 0.50 -0.10 0.00 0.00 175.22 174.75 1wkl s ARG 31 N -3.94 3.62 -0.46 0.44 3.52 0.30 -4.55 118.95 117.88 1wkl s ARG 31 Ca 0.64 -0.03 -0.26 0.00 -0.13 0.00 0.00 55.73 55.96 1wkl s ARG 31 Cb -0.16 -3.22 0.03 0.00 -1.56 0.00 0.00 34.95 30.03 1wkl s ARG 31 CO 0.34 0.70 0.95 0.42 -0.81 0.00 0.00 175.30 176.91 1wkl s ILE 32 N -0.86 4.44 -0.66 4.11 1.01 -1.26 -0.31 121.20 127.67 1wkl s ILE 32 Ca 0.16 0.82 0.23 0.00 0.00 0.00 0.00 60.65 61.86 1wkl s ILE 32 Cb -0.13 -4.45 -0.13 0.00 0.01 0.00 0.00 42.46 37.76 1wkl s ILE 32 CO 0.05 -0.84 1.01 0.00 0.00 0.00 0.00 174.94 175.16 1wkl n ALA 33 N 7.23 3.55 -3.57 9.38 0.00 -0.02 -4.94 120.51 132.15 1wkl n ALA 33 Ca 0.07 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 1wkl n ALA 33 Cb 0.49 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 1wkl n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wkl s ALA 34 N -3.17 -1.89 -0.28 0.00 0.00 -1.19 0.14 121.76 115.38 1wkl s ALA 34 Ca 0.04 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.32 1wkl s ALA 34 Cb 0.15 -0.61 0.09 0.00 0.00 0.00 0.00 23.12 22.75 1wkl s ALA 34 CO 0.81 -0.32 0.82 -1.17 0.00 0.00 0.00 175.76 175.90 1wkl s LEU 35 N -0.93 -0.66 -0.28 0.00 2.96 -1.26 -1.92 118.68 116.59 1wkl s LEU 35 Ca -0.04 1.25 -0.26 0.00 -0.22 0.00 0.00 54.13 54.87 1wkl s LEU 35 Cb -0.01 2.26 0.15 0.00 0.50 0.00 0.00 46.19 49.09 1wkl s LEU 35 CO 0.03 -0.21 1.19 -1.59 -1.32 0.00 0.00 176.35 174.45 1wkl s LYS 36 N 0.45 0.33 0.17 1.98 -2.85 -0.29 -5.00 119.74 114.52 1wkl s LYS 36 Ca 0.00 0.34 -0.26 0.00 -1.00 0.00 0.00 55.97 55.04 1wkl s LYS 36 Cb -0.05 0.16 -0.08 0.00 -2.06 0.00 0.00 37.83 35.80 1wkl s LYS 36 CO -0.03 -0.05 0.81 -1.17 0.10 0.00 0.00 175.35 175.01 1wkl s LEU 37 N -0.04 4.59 0.15 2.77 2.96 -1.26 -0.75 118.68 127.10 1wkl s LEU 37 Ca 0.05 1.69 -0.21 0.00 -0.22 0.00 0.00 54.13 55.44 1wkl s LEU 37 Cb -0.04 -3.36 0.06 0.00 0.50 0.00 0.00 46.19 43.34 1wkl s LEU 37 CO -0.09 0.17 0.55 0.00 -1.32 0.00 0.00 176.35 175.66 1wkl s MET 38 N -1.00 1.22 -0.25 1.98 0.23 0.45 -4.95 119.30 116.99 1wkl s MET 38 Ca 0.37 -0.52 -0.08 0.00 -1.03 0.00 0.00 55.69 54.44 1wkl s MET 38 Cb -0.23 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 1wkl s MET 38 CO 0.27 -0.52 0.09 -1.14 -2.03 0.00 0.00 175.02 171.69 1wkl s GLN 39 N -3.72 3.73 -0.05 3.16 2.00 -1.26 0.06 119.66 123.58 1wkl s GLN 39 Ca 0.01 -0.44 -0.30 0.00 -2.00 0.00 0.00 55.36 52.63 1wkl s GLN 39 Cb -0.00 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.41 1wkl s GLN 39 CO -0.12 -0.14 1.34 0.42 -0.50 0.00 0.00 175.29 176.29 1wkl s ILE 40 N 1.50 3.95 0.64 -2.34 -1.09 -1.26 -5.00 121.20 117.59 1wkl s ILE 40 Ca 0.06 1.27 -0.13 0.00 -2.23 0.00 0.00 60.65 59.62 1wkl s ILE 40 Cb -0.15 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 1wkl s ILE 40 CO 0.05 -0.03 1.05 -0.94 -1.23 0.00 0.00 174.94 173.83 1wkl s SER 41 N 1.91 5.73 0.25 3.58 1.04 -1.26 -4.71 113.70 120.24 1wkl s SER 41 Ca 0.61 1.65 -0.03 0.00 0.48 0.00 0.00 55.95 58.65 1wkl s SER 41 Cb -0.28 -2.50 0.49 0.00 0.10 0.00 0.00 66.02 63.82 1wkl s SER 41 CO 0.23 -1.20 1.73 -0.61 0.98 0.00 0.00 173.24 174.37 1wkl h GLN 42 N -0.15 0.43 0.13 4.02 5.75 -1.97 -1.04 115.11 122.28 1wkl h GLN 42 Ca -0.45 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.02 1wkl h GLN 42 Cb 1.21 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1wkl h GLN 42 CO 0.58 0.29 -0.06 1.49 -2.65 0.00 0.00 178.83 178.47 1wkl h GLU 43 N 0.45 -0.17 -0.47 1.69 4.57 -1.99 -1.90 114.58 116.76 1wkl h GLU 43 Ca 0.43 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.67 1wkl h GLU 43 Cb 0.67 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 1wkl h GLU 43 CO -0.42 0.00 0.21 1.25 -1.18 0.00 0.00 179.01 178.88 1wkl h LEU 44 N -0.31 0.27 -1.18 1.64 5.85 -1.78 0.04 115.31 119.84 1wkl h LEU 44 Ca -0.02 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1wkl h LEU 44 Cb 0.25 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1wkl h LEU 44 CO 0.03 0.20 0.56 0.00 -0.34 0.00 0.00 178.44 178.89 1wkl h ALA 45 N 1.27 1.43 -0.24 1.25 0.00 -1.11 0.11 119.26 121.98 1wkl h ALA 45 Ca 0.21 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1wkl h ALA 45 Cb 0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1wkl h ALA 45 CO -0.17 0.51 -0.58 0.93 0.00 0.00 0.00 179.25 179.94 1wkl h GLU 46 N 1.11 0.78 0.16 0.00 5.08 -0.55 -2.17 114.58 118.98 1wkl h GLU 46 Ca 0.32 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1wkl h GLU 46 Cb -0.06 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wkl h GLU 46 CO -0.08 1.14 -0.08 0.00 -1.00 0.00 0.00 179.01 178.99 1wkl h ARG 47 N 0.59 -0.21 -0.81 2.33 2.47 -0.46 -1.10 114.38 117.20 1wkl h ARG 47 Ca 0.00 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.86 1wkl h ARG 47 Cb 1.17 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 29.46 1wkl h ARG 47 CO 0.12 0.07 0.43 1.25 0.56 0.00 0.00 179.97 182.39 1wkl h HIS 48 N -0.47 0.76 -0.69 3.04 2.76 -0.81 -1.94 115.15 117.80 1wkl h HIS 48 Ca -0.02 0.03 -0.25 0.00 -2.20 0.00 0.00 60.37 57.93 1wkl h HIS 48 Cb 0.37 -0.22 -0.15 0.00 1.55 0.00 0.00 27.41 28.96 1wkl h HIS 48 CO 0.01 0.24 0.27 0.66 -1.30 0.00 0.00 177.93 177.81 1wkl n TYR 49 N -4.83 2.25 -0.34 5.26 4.01 -0.82 -4.56 117.16 118.12 1wkl n TYR 49 Ca 0.15 -1.36 0.10 0.00 -0.16 0.00 0.00 57.90 56.62 1wkl n TYR 49 Cb 0.35 -0.68 0.29 0.00 -0.31 0.00 0.00 39.34 38.99 1wkl n TYR 49 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wkl h ALA 50 N 2.02 1.63 -0.97 -0.72 0.00 -0.36 -0.59 119.26 120.26 1wkl h ALA 50 Ca 0.31 0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.53 1wkl h ALA 50 Cb 2.27 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 19.77 1wkl h ALA 50 CO 0.72 0.08 0.50 1.49 0.00 0.00 0.00 179.25 182.04 1wkl h GLU 51 N 0.87 0.38 -0.62 0.00 4.81 -1.82 0.16 114.58 118.36 1wkl h GLU 51 Ca 0.52 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.52 1wkl h GLU 51 Cb 0.67 -0.08 -0.12 0.00 0.63 0.00 0.00 28.75 29.84 1wkl h GLU 51 CO -0.29 0.25 0.20 0.72 -0.73 0.00 0.00 179.01 179.16 1wkl n HIS 52 N -5.03 2.03 -0.02 0.92 8.25 -0.25 -4.64 115.22 116.48 1wkl n HIS 52 Ca 0.28 -1.28 0.03 0.00 -0.26 0.00 0.00 57.72 56.49 1wkl n HIS 52 Cb 0.83 -0.62 0.40 0.00 1.12 0.00 0.00 29.99 31.72 1wkl n HIS 52 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wkl h ARG 53 N 2.09 0.58 0.03 -0.41 0.11 -0.50 -2.68 114.38 113.60 1wkl h ARG 53 Ca 0.25 -0.04 -0.22 0.00 0.10 0.00 0.00 59.98 60.07 1wkl h ARG 53 Cb 2.13 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 33.06 1wkl h ARG 53 CO 0.63 0.40 -1.01 0.93 0.10 0.00 0.00 179.97 181.02 1wkl h GLU 54 N 0.60 0.12 -6.52 0.08 4.39 -1.82 -3.47 114.58 107.95 1wkl h GLU 54 Ca 0.16 -0.17 -0.48 0.00 0.34 0.00 0.00 59.36 59.21 1wkl h GLU 54 Cb -0.05 0.06 0.24 0.00 -0.10 0.00 0.00 28.75 28.90 1wkl h GLU 54 CO -0.03 1.02 -1.36 1.63 -1.16 0.00 0.00 179.01 179.11 1wkl n LYS 55 N -3.50 -0.92 0.08 2.33 4.76 -1.01 -4.94 118.16 114.96 1wkl n LYS 55 Ca -0.03 -0.25 0.05 0.00 -2.87 0.00 0.00 58.31 55.21 1wkl n LYS 55 Cb 0.91 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.53 1wkl n LYS 55 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1wkl h PRO 56 N -1.69 0.00 -0.01 1.97 0.13 -1.91 -3.33 132.00 127.16 1wkl h PRO 56 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wkl h PRO 56 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1wkl h PRO 56 CO 0.33 0.19 -0.08 1.97 -0.23 0.00 0.00 178.00 180.18 1wkl n PHE 57 N -2.86 0.00 -0.02 1.56 1.16 -1.26 -4.34 117.46 111.71 1wkl n PHE 57 Ca -0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.44 1wkl n PHE 57 Cb 0.71 -0.07 -0.04 0.00 -1.61 0.00 0.00 39.48 38.47 1wkl n PHE 57 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1wkl h PHE 58 N 1.31 -0.86 -0.35 2.97 3.04 -1.79 0.92 116.94 122.18 1wkl h PHE 58 Ca 0.00 0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.06 1wkl h PHE 58 Cb 0.39 0.40 -0.06 0.00 2.56 0.00 0.00 35.95 39.24 1wkl h PHE 58 CO 0.00 -0.39 -0.04 -1.35 -2.02 0.00 0.00 178.31 174.51 1wkl h PRO 59 N -0.36 0.04 0.00 6.41 0.11 -1.87 0.03 132.00 136.36 1wkl h PRO 59 Ca 0.11 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1wkl h PRO 59 Cb 0.53 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1wkl h PRO 59 CO -0.38 0.03 -0.30 0.78 -0.21 0.00 0.00 178.00 177.92 1wkl h GLY 60 N 0.05 0.00 0.58 -0.55 0.00 -1.77 -1.71 103.07 99.67 1wkl h GLY 60 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1wkl h GLY 60 CO -0.33 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 174.19 1wkl h LEU 61 N 0.00 -0.06 -1.15 3.11 6.46 0.35 -1.88 115.31 122.14 1wkl h LEU 61 Ca -0.00 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 1wkl h LEU 61 Cb 0.61 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1wkl h LEU 61 CO 0.04 0.36 0.52 0.58 -0.62 0.00 0.00 178.44 179.32 1wkl h VAL 62 N -0.49 1.22 -0.59 1.05 2.07 -0.90 -1.10 116.25 117.50 1wkl h VAL 62 Ca -0.01 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1wkl h VAL 62 Cb 0.44 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1wkl h VAL 62 CO 0.01 0.22 0.12 -0.09 0.02 0.00 0.00 177.57 177.85 1wkl h ARG 63 N 1.12 0.94 0.16 1.57 2.43 -1.25 -2.70 114.38 116.65 1wkl h ARG 63 Ca 0.30 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1wkl h ARG 63 Cb -0.09 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1wkl h ARG 63 CO -0.06 0.86 -0.08 0.35 -1.51 0.00 0.00 179.97 179.53 1wkl h PHE 64 N 0.90 -0.20 0.00 2.20 3.57 -0.60 -1.84 116.94 120.96 1wkl h PHE 64 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1wkl h PHE 64 Cb 0.36 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1wkl h PHE 64 CO 0.02 0.22 0.01 0.97 -2.23 0.00 0.00 178.31 177.31 1wkl h ILE 65 N -0.73 0.00 -0.09 1.41 6.09 -1.22 -0.64 117.51 122.33 1wkl h ILE 65 Ca -0.02 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1wkl h ILE 65 Cb 0.51 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.56 1wkl h ILE 65 CO 0.04 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.47 1wkl n THR 66 N -2.72 0.27 0.29 2.19 -2.24 -1.02 -4.58 114.28 106.48 1wkl n THR 66 Ca -0.02 -0.64 0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1wkl n THR 66 Cb 0.07 1.01 0.70 0.00 -2.10 0.00 0.00 70.33 70.01 1wkl n THR 66 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1wkl h SER 67 N 1.89 0.00 -5.55 3.42 4.64 -0.22 -3.46 113.55 114.27 1wkl h SER 67 Ca 0.00 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 1wkl h SER 67 Cb 0.49 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.51 1wkl h SER 67 CO 0.00 0.00 0.67 -0.83 -0.87 0.00 0.00 176.83 175.80 1wkl s GLY 68 N -3.79 -0.11 0.56 -0.77 0.00 -1.26 -5.10 107.32 96.84 1wkl s GLY 68 Ca -0.00 0.04 -0.21 0.00 0.00 0.00 0.00 44.72 44.56 1wkl s GLY 68 CO 0.37 2.02 1.30 -4.14 0.00 0.00 0.00 173.10 172.65 1wkl s PRO 69 N -2.43 3.07 0.27 2.90 0.02 -1.26 -4.64 135.00 132.93 1wkl s PRO 69 Ca 0.20 2.08 0.07 0.00 0.02 0.00 0.00 61.00 63.37 1wkl s PRO 69 Cb -0.00 -2.14 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 1wkl s PRO 69 CO 0.02 -1.20 -0.09 0.14 -0.33 0.00 0.00 177.00 175.54 1wkl s VAL 70 N -1.40 1.75 -0.26 3.83 -7.23 0.11 -4.09 120.40 113.12 1wkl s VAL 70 Ca 0.74 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 58.70 1wkl s VAL 70 Cb -0.37 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.21 1wkl s VAL 70 CO 0.42 -0.36 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.16 1wkl s VAL 71 N -2.95 3.41 0.00 1.32 1.01 -0.66 -0.41 120.40 122.12 1wkl s VAL 71 Ca 0.28 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1wkl s VAL 71 Cb 0.02 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1wkl s VAL 71 CO 0.11 0.22 0.16 0.00 0.00 0.00 0.00 175.10 175.60 1wkl s ALA 72 N 1.43 3.88 0.22 5.51 0.00 0.07 -0.37 121.76 132.51 1wkl s ALA 72 Ca 0.03 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 1wkl s ALA 72 Cb -0.16 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1wkl s ALA 72 CO -0.02 0.75 0.62 0.00 0.00 0.00 0.00 175.76 177.11 1wkl s MET 73 N -1.97 1.52 -0.09 0.00 0.23 -0.15 -1.14 119.30 117.71 1wkl s MET 73 Ca 0.27 -0.83 0.00 0.00 -1.03 0.00 0.00 55.69 54.10 1wkl s MET 73 Cb -0.13 0.57 0.02 0.00 -1.53 0.00 0.00 34.83 33.77 1wkl s MET 73 CO 0.19 -0.67 -0.08 0.08 -2.03 0.00 0.00 175.02 172.51 1wkl s VAL 74 N -3.87 0.95 -0.05 5.16 1.01 -0.81 -0.86 120.40 121.93 1wkl s VAL 74 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1wkl s VAL 74 Cb -0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1wkl s VAL 74 CO -0.01 0.34 0.07 -0.76 0.00 0.00 0.00 175.10 174.74 1wkl s LEU 75 N 1.34 3.91 -0.02 3.92 1.43 -0.27 -0.84 118.68 128.15 1wkl s LEU 75 Ca -0.02 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1wkl s LEU 75 Cb -0.14 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1wkl s LEU 75 CO -0.04 0.33 -0.21 -0.70 0.23 0.00 0.00 176.35 175.96 1wkl s GLU 76 N -1.34 1.79 0.00 1.70 2.12 0.58 -1.41 118.70 122.14 1wkl s GLU 76 Ca 0.18 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1wkl s GLU 76 Cb -0.12 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.57 1wkl s GLU 76 CO 0.08 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1wkl n GLY 77 N 2.61 2.40 3.66 -1.50 0.00 -0.83 -0.54 105.19 111.00 1wkl n GLY 77 Ca -0.16 -1.18 -0.49 0.00 0.00 0.00 0.00 46.02 44.19 1wkl n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wkl n PRO 78 N -1.17 1.88 -2.15 1.61 -0.02 -1.26 -1.82 135.00 132.07 1wkl n PRO 78 Ca 0.00 0.68 -0.05 0.00 -2.02 0.00 0.00 63.50 62.11 1wkl n PRO 78 Cb 0.00 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.03 1wkl n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wkl n GLY 79 N 3.62 -0.26 0.39 -1.23 0.00 -1.26 -4.80 105.19 101.65 1wkl n GLY 79 Ca 0.20 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.40 1wkl n GLY 79 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wkl h VAL 80 N 0.00 0.67 0.34 1.61 3.04 -1.67 -1.16 116.25 119.07 1wkl h VAL 80 Ca -0.11 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.38 1wkl h VAL 80 Cb 0.90 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1wkl h VAL 80 CO 0.14 0.09 -0.17 0.58 -1.01 0.00 0.00 177.57 177.20 1wkl h VAL 81 N 0.52 0.65 -0.35 1.51 2.07 -1.85 0.16 116.25 118.95 1wkl h VAL 81 Ca 0.52 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.92 1wkl h VAL 81 Cb 1.14 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1wkl h VAL 81 CO -0.25 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.07 1wkl h ALA 82 N 0.19 0.51 -0.49 1.67 0.00 -1.80 -2.42 119.26 116.93 1wkl h ALA 82 Ca -0.04 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1wkl h ALA 82 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1wkl h ALA 82 CO 0.07 0.52 0.13 0.93 0.00 0.00 0.00 179.25 180.89 1wkl h GLU 83 N 0.59 0.78 -0.52 0.00 5.08 -1.17 -1.51 114.58 117.82 1wkl h GLU 83 Ca 0.07 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1wkl h GLU 83 Cb 0.84 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1wkl h GLU 83 CO 0.07 0.75 0.12 0.28 -1.00 0.00 0.00 179.01 179.23 1wkl h VAL 84 N 0.66 1.22 -0.74 3.13 2.07 -0.69 -0.17 116.25 121.74 1wkl h VAL 84 Ca 0.15 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1wkl h VAL 84 Cb 0.31 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1wkl h VAL 84 CO -0.00 0.30 0.34 0.03 0.02 0.00 0.00 177.57 178.25 1wkl h ARG 85 N 0.77 1.07 -0.36 1.57 2.47 -1.07 -1.79 114.38 117.04 1wkl h ARG 85 Ca 0.17 -0.17 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 1wkl h ARG 85 Cb 0.29 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1wkl h ARG 85 CO -0.00 0.85 -0.28 -0.22 0.56 0.00 0.00 179.97 180.88 1wkl h LYS 86 N 1.04 0.75 -0.38 0.04 3.64 -0.66 -3.09 116.57 117.91 1wkl h LYS 86 Ca 0.25 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1wkl h LYS 86 Cb 0.14 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1wkl h LYS 86 CO -0.03 0.94 -0.01 0.52 -2.27 0.00 0.00 179.45 178.60 1wkl h MET 87 N 0.64 0.61 -0.23 1.90 2.86 -0.62 -3.04 114.93 117.05 1wkl h MET 87 Ca 0.08 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 1wkl h MET 87 Cb 0.79 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1wkl h MET 87 CO 0.07 0.64 -0.40 0.52 1.06 0.00 0.00 176.91 178.79 1wkl h MET 88 N 0.58 0.55 0.00 1.72 2.86 -1.26 -0.45 114.93 118.93 1wkl h MET 88 Ca 0.12 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1wkl h MET 88 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1wkl h MET 88 CO 0.01 0.86 0.00 0.41 1.06 0.00 0.00 176.91 179.25 1wkl n GLY 89 N -0.03 -0.50 3.55 8.32 0.00 -1.15 -1.04 105.19 114.34 1wkl n GLY 89 Ca -0.02 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1wkl n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkl n ALA 90 N -0.41 -0.43 -0.19 4.61 0.00 -1.26 -4.89 120.51 117.94 1wkl n ALA 90 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 1wkl n ALA 90 Cb 0.00 -1.97 0.07 0.00 0.00 0.00 0.00 19.45 17.54 1wkl n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wkl h THR 91 N 1.09 0.95 -3.36 0.00 2.02 -1.95 -3.36 112.91 108.31 1wkl h THR 91 Ca -0.44 -0.19 -0.61 0.00 0.77 0.00 0.00 66.41 65.95 1wkl h THR 91 Cb 1.36 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 68.01 1wkl h THR 91 CO 0.54 0.10 0.56 -1.00 0.37 0.00 0.00 175.52 176.09 1wkl s HIS 92 N -6.12 2.84 0.47 3.16 3.76 -1.26 -4.78 115.29 113.36 1wkl s HIS 92 Ca -0.13 0.11 0.35 0.00 -0.15 0.00 0.00 55.06 55.24 1wkl s HIS 92 Cb 0.15 -4.02 1.51 0.00 1.11 0.00 0.00 32.58 31.33 1wkl s HIS 92 CO 0.74 -1.26 1.61 -1.35 -0.85 0.00 0.00 174.74 173.63 1wkl h PRO 93 N 9.23 0.04 -0.15 8.40 0.11 -1.81 0.38 132.00 148.20 1wkl h PRO 93 Ca -0.25 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.90 1wkl h PRO 93 Cb 1.07 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1wkl h PRO 93 CO 1.06 0.03 0.12 1.57 -0.21 0.00 0.00 178.00 180.57 1wkl h LYS 94 N 0.04 0.00 -0.02 1.05 2.10 -1.89 -1.74 116.57 116.12 1wkl h LYS 94 Ca 0.85 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.50 1wkl h LYS 94 Cb 2.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.21 1wkl h LYS 94 CO -0.33 0.00 -0.23 -0.25 -2.00 0.00 0.00 179.45 176.64 1wkl n ASP 95 N -4.26 2.26 -4.70 7.07 8.00 0.13 -4.95 116.55 120.10 1wkl n ASP 95 Ca 0.01 -1.63 -0.42 0.00 0.71 0.00 0.00 54.79 53.46 1wkl n ASP 95 Cb 0.24 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 1wkl n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wkl s ALA 96 N -2.01 3.35 0.44 2.24 0.00 -0.66 -4.58 121.76 120.55 1wkl s ALA 96 Ca 0.20 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.63 1wkl s ALA 96 Cb 0.17 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1wkl s ALA 96 CO 0.39 -0.46 1.00 -0.51 0.00 0.00 0.00 175.76 176.18 1wkl s LEU 97 N 1.37 3.95 0.45 0.00 1.43 -1.26 -4.44 118.68 120.17 1wkl s LEU 97 Ca 0.56 1.84 -0.25 0.00 -1.03 0.00 0.00 54.13 55.25 1wkl s LEU 97 Cb -0.25 -4.47 -0.09 0.00 0.03 0.00 0.00 46.19 41.41 1wkl s LEU 97 CO 0.26 -0.54 1.36 -2.65 0.23 0.00 0.00 176.35 175.02 1wkl n PRO 98 N -0.63 2.07 0.00 1.29 -0.02 -1.26 -1.71 135.00 134.74 1wkl n PRO 98 Ca 0.07 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1wkl n PRO 98 Cb 0.53 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1wkl n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wkl n GLY 99 N 0.69 2.20 3.88 -1.23 0.00 -1.26 -4.99 105.19 104.48 1wkl n GLY 99 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1wkl n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wkl s THR 100 N -2.52 4.91 0.10 2.61 2.01 -0.69 -4.94 115.64 117.11 1wkl s THR 100 Ca 0.00 0.45 -0.23 0.00 0.31 0.00 0.00 61.69 62.22 1wkl s THR 100 Cb 0.00 -3.65 -0.13 0.00 0.01 0.00 0.00 72.50 68.73 1wkl s THR 100 CO 0.00 -0.19 1.72 0.40 -0.69 0.00 0.00 174.62 175.86 1wkl h ILE 101 N 1.76 0.88 -0.08 1.82 2.04 -1.07 0.20 117.51 123.06 1wkl h ILE 101 Ca -0.47 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 1wkl h ILE 101 Cb 1.18 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1wkl h ILE 101 CO 0.67 0.00 -0.49 0.03 0.00 0.00 0.00 178.15 178.37 1wkl h ARG 102 N -0.10 0.21 -0.43 2.37 3.08 -1.35 0.30 114.38 118.47 1wkl h ARG 102 Ca 0.01 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1wkl h ARG 102 Cb 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1wkl h ARG 102 CO -0.03 0.66 0.05 0.78 -1.07 0.00 0.00 179.97 180.36 1wkl h GLY 103 N 1.34 0.72 0.82 0.04 0.00 -1.60 -0.12 103.07 104.26 1wkl h GLY 103 Ca 0.01 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.75 1wkl h GLY 103 CO 0.07 0.39 -1.53 1.22 0.00 0.00 0.00 176.54 176.70 1wkl n ASP 104 N -4.28 0.71 -0.00 0.19 8.00 0.66 -4.66 116.55 117.18 1wkl n ASP 104 Ca 0.03 0.31 0.01 0.00 0.71 0.00 0.00 54.79 55.85 1wkl n ASP 104 Cb 0.24 0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 1wkl n ASP 104 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wkl n PHE 105 N -2.81 0.00 -4.08 1.24 3.01 0.07 -5.06 117.46 109.82 1wkl n PHE 105 Ca -0.11 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.05 1wkl n PHE 105 Cb 0.83 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 40.18 1wkl n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wkl s ALA 106 N -2.08 3.46 -0.00 4.37 0.00 -0.06 -4.97 121.76 122.48 1wkl s ALA 106 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1wkl s ALA 106 Cb 0.02 -1.35 -0.00 0.00 0.00 0.00 0.00 23.12 21.78 1wkl s ALA 106 CO 0.10 0.73 0.00 0.25 0.00 0.00 0.00 175.76 176.84 1wkl n THR 107 N 0.54 0.01 -4.33 0.00 -2.24 -1.26 -4.73 114.28 102.27 1wkl n THR 107 Ca -0.10 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 1wkl n THR 107 Cb 0.52 -0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 1wkl n THR 107 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wkl s THR 108 N -2.01 1.79 0.26 4.28 -4.23 -1.26 -4.52 115.64 109.96 1wkl s THR 108 Ca -0.00 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1wkl s THR 108 Cb 0.00 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 72.03 1wkl s THR 108 CO 0.01 -0.36 1.69 -0.29 -0.54 0.00 0.00 174.62 175.12 1wkl h ILE 109 N 3.15 1.28 -0.10 2.99 6.09 -1.95 -3.20 117.51 125.76 1wkl h ILE 109 Ca -0.41 -1.35 0.01 0.00 -1.37 0.00 0.00 64.86 61.73 1wkl h ILE 109 Cb 1.21 1.40 -0.01 0.00 0.47 0.00 0.00 36.82 39.89 1wkl h ILE 109 CO 0.53 0.43 0.04 0.44 -3.07 0.00 0.00 178.15 176.52 1wkl h ASP 110 N 0.44 0.06 -3.46 2.19 3.32 -1.96 -3.31 116.42 113.71 1wkl h ASP 110 Ca 0.06 0.01 -0.67 0.00 0.02 0.00 0.00 57.03 56.45 1wkl h ASP 110 Cb 0.73 -0.01 -0.38 0.00 0.22 0.00 0.00 39.33 39.89 1wkl h ASP 110 CO 0.06 0.05 -0.35 -1.61 -1.72 0.00 0.00 179.24 175.67 1wkl s GLU 111 N -6.19 2.78 -0.47 3.56 2.02 -1.21 -4.93 118.70 114.26 1wkl s GLU 111 Ca -0.13 -3.15 0.03 0.00 0.02 0.00 0.00 54.97 51.74 1wkl s GLU 111 Cb 0.07 -3.68 0.64 0.00 0.10 0.00 0.00 34.13 31.27 1wkl s GLU 111 CO 0.67 -1.25 1.93 0.27 0.02 0.00 0.00 175.26 176.91 1wkl n ASN 112 N 2.42 4.20 0.00 -0.19 6.94 -1.22 -4.38 115.26 123.03 1wkl n ASN 112 Ca 0.18 -3.63 0.00 0.00 -0.02 0.00 0.00 54.58 51.10 1wkl n ASN 112 Cb 0.36 -0.85 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 1wkl n ASN 112 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1wkl n VAL 113 N -1.12 0.00 -3.82 3.53 0.31 -1.26 -4.81 118.33 111.16 1wkl n VAL 113 Ca 0.60 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.84 1wkl n VAL 113 Cb 1.55 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 34.42 1wkl n VAL 113 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1wkl s ILE 114 N 0.00 0.13 0.02 2.52 2.07 -1.26 -0.74 121.20 123.93 1wkl s ILE 114 Ca 0.00 -1.06 0.05 0.00 -1.41 0.00 0.00 60.65 58.23 1wkl s ILE 114 Cb 0.00 -1.28 -0.02 0.00 0.13 0.00 0.00 42.46 41.29 1wkl s ILE 114 CO 0.00 -0.59 -0.14 -2.28 -1.91 0.00 0.00 174.94 170.02 1wkl s HIS 115 N -3.75 1.25 -0.02 3.50 5.65 0.23 -4.92 115.29 117.22 1wkl s HIS 115 Ca 0.04 -0.30 -0.01 0.00 0.25 0.00 0.00 55.06 55.05 1wkl s HIS 115 Cb 0.04 -0.77 0.02 0.00 -1.18 0.00 0.00 32.58 30.69 1wkl s HIS 115 CO -0.11 0.01 0.05 0.20 -0.65 0.00 0.00 174.74 174.24 1wkl s GLY 116 N -0.76 0.05 0.17 1.59 0.00 -1.26 -1.17 107.32 105.94 1wkl s GLY 116 Ca 0.04 0.31 -0.33 0.00 0.00 0.00 0.00 44.72 44.73 1wkl s GLY 116 CO 0.00 0.59 1.12 1.44 0.00 0.00 0.00 173.10 176.26 1wkl n SER 117 N 3.92 1.15 0.08 1.64 7.64 -0.43 -4.88 113.62 122.73 1wkl n SER 117 Ca -0.24 1.14 -0.10 0.00 1.01 0.00 0.00 58.87 60.68 1wkl n SER 117 Cb 0.53 -1.19 -0.01 0.00 -1.01 0.00 0.00 64.21 62.52 1wkl n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wkl h ALA 118 N 3.19 0.48 -2.84 -0.43 0.00 -1.92 -3.45 119.26 114.30 1wkl h ALA 118 Ca -0.43 -0.71 -0.28 0.00 0.00 0.00 0.00 54.91 53.50 1wkl h ALA 118 Cb 1.35 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 1wkl h ALA 118 CO 0.69 0.87 -0.33 0.95 0.00 0.00 0.00 179.25 181.42 1wkl s THR 119 N -3.27 0.00 0.18 0.00 -4.23 -1.26 -4.93 115.64 102.13 1wkl s THR 119 Ca -0.04 -1.73 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 1wkl s THR 119 Cb 0.10 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.50 1wkl s THR 119 CO 0.84 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 176.69 1wkl h LEU 120 N 2.24 0.62 -0.49 4.79 3.38 -1.93 -0.48 115.31 123.44 1wkl h LEU 120 Ca -0.29 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1wkl h LEU 120 Cb 1.24 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1wkl h LEU 120 CO 0.41 0.45 0.12 -0.33 0.09 0.00 0.00 178.44 179.17 1wkl h GLU 121 N 0.74 0.79 -0.83 1.13 3.07 -1.98 -1.50 114.58 116.01 1wkl h GLU 121 Ca 0.21 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1wkl h GLU 121 Cb -0.07 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.70 1wkl h GLU 121 CO -0.05 0.77 0.39 -0.44 -1.40 0.00 0.00 179.01 178.27 1wkl h ASP 122 N 0.68 1.10 0.51 1.42 3.32 -1.89 -2.32 116.42 119.24 1wkl h ASP 122 Ca 0.15 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1wkl h ASP 122 Cb 0.33 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1wkl h ASP 122 CO 0.00 0.93 -0.25 0.00 -1.72 0.00 0.00 179.24 178.20 1wkl h ALA 123 N 1.23 -0.70 -0.64 3.45 0.00 -0.70 0.21 119.26 122.12 1wkl h ALA 123 Ca 0.28 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1wkl h ALA 123 Cb 0.13 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1wkl h ALA 123 CO -0.03 -0.89 0.20 1.96 0.00 0.00 0.00 179.25 180.48 1wkl h GLN 124 N -0.70 0.33 -0.24 0.00 4.20 -1.18 0.59 115.11 118.11 1wkl h GLN 124 Ca -0.07 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 1wkl h GLN 124 Cb 0.54 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1wkl h GLN 124 CO 0.11 0.22 0.04 -0.09 -0.67 0.00 0.00 178.83 178.44 1wkl h ARG 125 N 0.34 0.40 -0.66 1.46 2.43 -1.19 -2.71 114.38 114.46 1wkl h ARG 125 Ca 0.34 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1wkl h ARG 125 Cb 0.48 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1wkl h ARG 125 CO -0.38 0.53 0.15 0.93 -1.51 0.00 0.00 179.97 179.69 1wkl h GLU 126 N 0.21 1.07 -0.42 0.20 5.08 0.00 -2.03 114.58 118.69 1wkl h GLU 126 Ca 0.07 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1wkl h GLU 126 Cb 0.32 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1wkl h GLU 126 CO 0.00 0.96 0.27 0.82 -1.00 0.00 0.00 179.01 180.06 1wkl h ILE 127 N 0.99 1.12 0.00 3.13 2.04 -0.88 0.09 117.51 124.01 1wkl h ILE 127 Ca 0.21 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 1wkl h ILE 127 Cb 0.38 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1wkl h ILE 127 CO 0.00 0.12 -0.38 0.00 0.00 0.00 0.00 178.15 177.90 1wkl h ALA 128 N 1.13 1.26 0.04 1.87 0.00 -1.38 -0.50 119.26 121.67 1wkl h ALA 128 Ca 0.15 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 1wkl h ALA 128 Cb -0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wkl h ALA 128 CO -0.03 0.47 -1.01 1.25 0.00 0.00 0.00 179.25 179.93 1wkl h LEU 129 N 0.00 0.42 0.01 0.00 5.85 -0.73 -3.38 115.31 117.47 1wkl h LEU 129 Ca -0.00 -0.36 -0.36 0.00 0.84 0.00 0.00 57.88 58.00 1wkl h LEU 129 Cb 0.72 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1wkl h LEU 129 CO 0.05 1.20 -2.23 0.49 -0.34 0.00 0.00 178.44 177.61 1wkl n PHE 130 N -3.66 0.31 -4.30 1.25 3.72 -0.04 -5.00 117.46 109.75 1wkl n PHE 130 Ca -0.06 0.10 -0.25 0.00 -0.05 0.00 0.00 57.45 57.18 1wkl n PHE 130 Cb 0.88 -1.05 -0.09 0.00 -0.94 0.00 0.00 39.48 38.28 1wkl n PHE 130 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1wkl s PHE 131 N -2.52 2.64 0.22 1.38 0.08 -0.21 -5.09 117.98 114.48 1wkl s PHE 131 Ca -0.14 -0.22 -0.14 0.00 0.12 0.00 0.00 56.93 56.55 1wkl s PHE 131 Cb 0.07 -1.25 -0.08 0.00 -0.57 0.00 0.00 43.02 41.19 1wkl s PHE 131 CO 0.79 0.56 0.62 1.03 -0.10 0.00 0.00 175.22 178.11 1wkl s ARG 132 N -3.11 3.98 0.27 0.44 0.52 -1.26 -4.55 118.95 115.23 1wkl s ARG 132 Ca 0.27 0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 56.01 1wkl s ARG 132 Cb -0.08 -2.73 0.61 0.00 0.52 0.00 0.00 34.95 33.27 1wkl s ARG 132 CO 0.17 0.35 1.69 -1.35 0.02 0.00 0.00 175.30 176.17 1wkl h PRO 133 N 2.95 0.32 0.00 3.54 0.11 -1.93 0.33 132.00 137.32 1wkl h PRO 133 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wkl h PRO 133 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1wkl h PRO 133 CO 0.67 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 177.82 1wkl n GLU 134 N -5.11 0.07 0.00 1.05 0.00 -1.26 -2.50 120.64 112.89 1wkl n GLU 134 Ca 0.19 0.33 0.14 0.00 0.00 0.00 0.00 57.16 57.82 1wkl n GLU 134 Cb 0.57 -1.65 0.65 0.00 0.00 0.00 0.00 31.44 31.01 1wkl n GLU 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wkl n GLU 135 N -1.79 0.33 -3.34 3.44 1.02 0.10 -4.74 120.64 115.67 1wkl n GLU 135 Ca 0.03 -0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.73 1wkl n GLU 135 Cb 0.18 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1wkl n GLU 135 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wkl s LEU 136 N -2.71 4.18 0.00 -4.62 1.43 -1.04 -4.57 118.68 111.36 1wkl s LEU 136 Ca 0.23 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1wkl s LEU 136 Cb 0.20 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.82 1wkl s LEU 136 CO 0.50 -0.08 0.53 0.18 0.23 0.00 0.00 176.35 177.71