#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkk n GLU 2 N 0.00 1.66 -4.04 2.12 2.13 -1.26 -4.82 120.64 116.43 1wkk n GLU 2 Ca 0.00 0.60 -0.13 0.00 0.66 0.00 0.00 57.16 58.29 1wkk n GLU 2 Cb 0.00 -2.30 -0.13 0.00 0.27 0.00 0.00 31.44 29.28 1wkk n GLU 2 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1wkk s ARG 3 N -2.29 0.35 0.11 5.31 0.52 -1.26 -2.18 118.95 119.51 1wkk s ARG 3 Ca 0.64 -0.40 0.04 0.00 -0.52 0.00 0.00 55.73 55.49 1wkk s ARG 3 Cb -0.50 -0.19 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 1wkk s ARG 3 CO 0.56 0.04 -0.10 -0.08 0.02 0.00 0.00 175.30 175.73 1wkk s THR 4 N -0.74 1.02 -0.17 0.02 -1.32 -0.48 -4.78 115.64 109.19 1wkk s THR 4 Ca -0.06 -1.76 -0.11 0.00 -1.21 0.00 0.00 61.69 58.55 1wkk s THR 4 Cb -0.06 -1.51 -0.05 0.00 -1.51 0.00 0.00 72.50 69.38 1wkk s THR 4 CO -0.00 -0.60 0.20 0.12 -2.21 0.00 0.00 174.62 172.13 1wkk s PHE 5 N -2.68 3.46 0.03 9.09 5.36 -1.26 -1.89 117.98 130.10 1wkk s PHE 5 Ca 0.09 0.48 0.06 0.00 -0.96 0.00 0.00 56.93 56.59 1wkk s PHE 5 Cb -0.01 -2.21 -0.02 0.00 -0.34 0.00 0.00 43.02 40.43 1wkk s PHE 5 CO 0.00 0.33 -0.16 0.08 -1.46 0.00 0.00 175.22 174.01 1wkk s VAL 6 N 0.19 1.28 -0.05 3.12 1.01 -0.54 -0.93 120.40 124.49 1wkk s VAL 6 Ca 0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1wkk s VAL 6 Cb -0.12 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.16 1wkk s VAL 6 CO 0.02 0.12 0.10 -0.32 0.00 0.00 0.00 175.10 175.01 1wkk s MET 7 N -1.02 -0.00 -0.46 2.72 1.75 0.11 -0.95 119.30 121.44 1wkk s MET 7 Ca 0.04 0.39 -0.21 0.00 -1.25 0.00 0.00 55.69 54.67 1wkk s MET 7 Cb -0.08 -0.32 0.03 0.00 2.84 0.00 0.00 34.83 37.31 1wkk s MET 7 CO 0.01 -0.26 0.65 0.42 -0.65 0.00 0.00 175.02 175.20 1wkk s ILE 8 N 1.78 4.82 1.16 10.11 1.01 -0.31 -0.87 121.20 138.90 1wkk s ILE 8 Ca -0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.49 1wkk s ILE 8 Cb -0.12 -4.24 0.28 0.00 0.01 0.00 0.00 42.46 38.39 1wkk s ILE 8 CO -0.04 -0.67 1.03 -0.54 0.00 0.00 0.00 174.94 174.72 1wkk s LYS 9 N 2.84 -0.92 0.43 2.79 1.02 -0.46 -2.15 119.74 123.28 1wkk s LYS 9 Ca 0.21 0.88 0.22 0.00 0.02 0.00 0.00 55.97 57.30 1wkk s LYS 9 Cb -0.15 -1.55 1.20 0.00 -0.52 0.00 0.00 37.83 36.81 1wkk s LYS 9 CO 0.17 -3.74 1.79 -1.35 -0.92 0.00 0.00 175.35 171.31 1wkk h PRO 10 N -2.64 0.29 -0.25 -1.68 0.11 -1.84 -1.23 132.00 124.77 1wkk h PRO 10 Ca -0.61 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.33 1wkk h PRO 10 Cb 1.33 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wkk h PRO 10 CO 0.50 0.19 -0.42 0.38 -0.21 0.00 0.00 178.00 178.44 1wkk h ASP 11 N 0.30 0.81 -0.51 -2.05 2.03 -1.89 -0.09 116.42 115.02 1wkk h ASP 11 Ca 0.57 -0.52 0.01 0.00 -0.73 0.00 0.00 57.03 56.35 1wkk h ASP 11 Cb 1.61 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 39.85 1wkk h ASP 11 CO -0.22 1.18 0.33 1.23 -1.03 0.00 0.00 179.24 180.73 1wkk h GLY 12 N 0.47 0.72 1.24 7.15 0.00 -1.42 0.12 103.07 111.35 1wkk h GLY 12 Ca 0.02 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 1wkk h GLY 12 CO 0.10 0.25 -0.23 -2.08 0.00 0.00 0.00 176.54 174.57 1wkk h VAL 13 N 0.68 1.27 -0.65 4.60 2.07 -1.42 -1.25 116.25 121.54 1wkk h VAL 13 Ca 0.19 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 1wkk h VAL 13 Cb -0.06 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1wkk h VAL 13 CO -0.05 0.46 0.19 -0.09 0.02 0.00 0.00 177.57 178.10 1wkk h ARG 14 N 0.75 1.03 -0.01 1.57 2.43 -0.53 -2.75 114.38 116.87 1wkk h ARG 14 Ca 0.10 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1wkk h ARG 14 Cb 0.78 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1wkk h ARG 14 CO 0.06 0.91 0.00 0.54 -1.51 0.00 0.00 179.97 179.97 1wkk n ARG 15 N -4.33 1.03 -3.12 0.20 1.74 0.38 -4.90 116.66 107.66 1wkk n ARG 15 Ca 0.04 -0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1wkk n ARG 15 Cb 0.23 -1.21 0.05 0.00 -1.02 0.00 0.00 32.46 30.50 1wkk n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wkk n GLY 16 N 0.72 -0.12 0.79 -0.13 0.00 -1.04 -4.94 105.19 100.48 1wkk n GLY 16 Ca 0.10 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1wkk n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wkk n LEU 17 N -3.43 2.64 -0.08 0.99 4.77 -0.49 -4.63 117.00 116.77 1wkk n LEU 17 Ca -0.02 -0.97 -0.07 0.00 -0.03 0.00 0.00 56.01 54.93 1wkk n LEU 17 Cb 0.56 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1wkk n LEU 17 CO 0.42 0.45 0.81 0.58 -1.33 0.00 0.00 177.39 178.32 1wkk h VAL 18 N 3.88 0.71 -0.27 4.08 2.07 -1.89 -1.91 116.25 122.93 1wkk h VAL 18 Ca 0.00 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1wkk h VAL 18 Cb 0.85 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1wkk h VAL 18 CO 0.00 0.00 0.09 1.23 0.02 0.00 0.00 177.57 178.91 1wkk h GLY 19 N 0.00 0.44 1.00 2.17 0.00 -1.97 -1.08 103.07 103.64 1wkk h GLY 19 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1wkk h GLY 19 CO -0.30 0.24 0.43 0.83 0.00 0.00 0.00 176.54 177.74 1wkk h GLU 20 N 0.27 0.87 -0.48 4.80 5.08 -1.83 0.11 114.58 123.41 1wkk h GLU 20 Ca 0.09 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1wkk h GLU 20 Cb 0.22 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wkk h GLU 20 CO -0.00 0.59 -0.16 0.82 -1.00 0.00 0.00 179.01 179.25 1wkk h ILE 21 N 0.90 1.27 -0.29 3.13 2.04 -1.28 -2.56 117.51 120.71 1wkk h ILE 21 Ca 0.24 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1wkk h ILE 21 Cb -0.09 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1wkk h ILE 21 CO -0.05 0.45 0.15 0.25 0.00 0.00 0.00 178.15 178.96 1wkk h LEU 22 N 0.82 0.37 -1.22 1.44 5.85 -0.78 -2.58 115.31 119.21 1wkk h LEU 22 Ca 0.12 -0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.89 1wkk h LEU 22 Cb 0.73 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 1wkk h LEU 22 CO 0.06 0.37 0.59 0.00 -0.34 0.00 0.00 178.44 179.12 1wkk h ALA 23 N 1.02 1.79 -0.65 1.25 0.00 -0.63 -0.98 119.26 121.06 1wkk h ALA 23 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1wkk h ALA 23 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1wkk h ALA 23 CO -0.02 -0.05 0.36 0.00 0.00 0.00 0.00 179.25 179.54 1wkk h ARG 24 N 0.73 0.91 -0.16 0.00 3.08 -1.05 0.10 114.38 117.99 1wkk h ARG 24 Ca 0.48 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.30 1wkk h ARG 24 Cb 0.74 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1wkk h ARG 24 CO -0.24 0.69 -0.44 0.74 -1.07 0.00 0.00 179.97 179.65 1wkk h PHE 25 N 0.89 0.47 -0.25 3.04 0.04 -1.12 -1.37 116.94 118.65 1wkk h PHE 25 Ca 0.23 -0.14 -0.15 0.00 2.80 0.00 0.00 57.97 60.71 1wkk h PHE 25 Cb 0.04 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1wkk h PHE 25 CO -0.01 0.77 -0.44 0.93 -0.60 0.00 0.00 178.31 178.96 1wkk h GLU 26 N 0.32 0.73 0.00 1.51 5.08 -0.92 -2.26 114.58 119.04 1wkk h GLU 26 Ca 0.02 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1wkk h GLU 26 Cb 0.90 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1wkk h GLU 26 CO 0.08 1.08 -0.19 0.00 -1.00 0.00 0.00 179.01 178.97 1wkk h ARG 27 N 0.46 0.00 0.00 2.33 3.08 -0.66 -1.15 114.38 118.44 1wkk h ARG 27 Ca 0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1wkk h ARG 27 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1wkk h ARG 27 CO 0.10 0.19 -0.24 -0.22 -1.07 0.00 0.00 179.97 178.73 1wkk h LYS 28 N 0.00 0.00 0.00 0.04 1.63 -1.07 -3.47 116.57 113.70 1wkk h LYS 28 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wkk h LYS 28 Cb 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1wkk h LYS 28 CO 0.02 0.24 0.00 0.41 -3.45 0.00 0.00 179.45 176.67 1wkk n GLY 29 N 0.09 0.81 3.84 5.01 0.00 -0.44 -5.10 105.19 109.41 1wkk n GLY 29 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1wkk n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wkk s PHE 30 N -2.00 3.34 -0.11 1.61 0.08 -0.87 -4.99 117.98 115.04 1wkk s PHE 30 Ca 0.00 1.41 -0.04 0.00 0.12 0.00 0.00 56.93 58.42 1wkk s PHE 30 Cb 0.00 -2.83 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 1wkk s PHE 30 CO 0.00 -0.82 0.05 0.50 -0.10 0.00 0.00 175.22 174.85 1wkk s ARG 31 N -4.66 3.29 -0.56 0.44 3.52 -0.58 -4.54 118.95 115.86 1wkk s ARG 31 Ca 0.58 -0.32 -0.26 0.00 -0.13 0.00 0.00 55.73 55.60 1wkk s ARG 31 Cb -0.12 -2.97 0.04 0.00 -1.56 0.00 0.00 34.95 30.33 1wkk s ARG 31 CO 0.45 0.64 1.04 0.42 -0.81 0.00 0.00 175.30 177.04 1wkk s ILE 32 N -0.68 4.24 -0.59 4.11 1.01 -1.26 -1.11 121.20 126.93 1wkk s ILE 32 Ca 0.11 0.51 0.23 0.00 0.00 0.00 0.00 60.65 61.51 1wkk s ILE 32 Cb -0.12 -4.61 -0.03 0.00 0.01 0.00 0.00 42.46 37.71 1wkk s ILE 32 CO 0.02 -1.21 1.17 0.00 0.00 0.00 0.00 174.94 174.92 1wkk n ALA 33 N 7.85 3.09 -3.56 9.38 0.00 0.49 -4.93 120.51 132.82 1wkk n ALA 33 Ca 0.04 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 1wkk n ALA 33 Cb 0.48 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1wkk n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wkk s ALA 34 N -3.20 -1.85 -0.28 0.00 0.00 -1.20 -0.64 121.76 114.59 1wkk s ALA 34 Ca 0.04 1.52 -0.22 0.00 0.00 0.00 0.00 51.96 53.31 1wkk s ALA 34 Cb 0.13 -0.49 0.10 0.00 0.00 0.00 0.00 23.12 22.87 1wkk s ALA 34 CO 0.76 -0.33 0.86 -1.17 0.00 0.00 0.00 175.76 175.88 1wkk s LEU 35 N -0.93 -0.64 -0.22 0.00 2.96 -1.26 -1.38 118.68 117.21 1wkk s LEU 35 Ca -0.05 1.16 -0.28 0.00 -0.22 0.00 0.00 54.13 54.73 1wkk s LEU 35 Cb -0.01 2.13 0.14 0.00 0.50 0.00 0.00 46.19 48.95 1wkk s LEU 35 CO 0.05 -0.19 1.09 -1.59 -1.32 0.00 0.00 176.35 174.38 1wkk s LYS 36 N 0.72 0.46 0.05 1.98 -2.85 -0.28 -5.00 119.74 114.82 1wkk s LYS 36 Ca -0.02 0.25 -0.21 0.00 -1.00 0.00 0.00 55.97 54.99 1wkk s LYS 36 Cb -0.05 0.22 -0.06 0.00 -2.06 0.00 0.00 37.83 35.88 1wkk s LYS 36 CO -0.08 -0.12 0.61 -1.17 0.10 0.00 0.00 175.35 174.69 1wkk s LEU 37 N -0.64 4.48 0.04 2.77 2.96 -1.26 -1.13 118.68 125.91 1wkk s LEU 37 Ca 0.02 1.27 -0.25 0.00 -0.22 0.00 0.00 54.13 54.94 1wkk s LEU 37 Cb -0.02 -2.97 0.06 0.00 0.50 0.00 0.00 46.19 43.77 1wkk s LEU 37 CO -0.03 0.18 0.59 0.00 -1.32 0.00 0.00 176.35 175.78 1wkk s MET 38 N -0.67 1.11 -0.22 1.98 0.23 -0.11 -4.96 119.30 116.65 1wkk s MET 38 Ca 0.31 -0.13 -0.12 0.00 -1.03 0.00 0.00 55.69 54.72 1wkk s MET 38 Cb -0.19 0.51 -0.05 0.00 -1.53 0.00 0.00 34.83 33.57 1wkk s MET 38 CO 0.19 -0.41 0.21 -1.14 -2.03 0.00 0.00 175.02 171.84 1wkk s GLN 39 N -2.37 4.11 -0.04 3.16 2.00 -1.26 -0.40 119.66 124.86 1wkk s GLN 39 Ca -0.06 -0.15 -0.30 0.00 -2.00 0.00 0.00 55.36 52.85 1wkk s GLN 39 Cb -0.01 -3.52 -0.03 0.00 0.80 0.00 0.00 33.01 30.25 1wkk s GLN 39 CO -0.01 0.07 1.14 0.42 -0.50 0.00 0.00 175.29 176.41 1wkk s ILE 40 N 1.02 4.39 0.48 -2.34 -1.09 -1.26 -5.01 121.20 117.38 1wkk s ILE 40 Ca 0.10 1.70 -0.19 0.00 -2.23 0.00 0.00 60.65 60.03 1wkk s ILE 40 Cb -0.13 -4.09 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 1wkk s ILE 40 CO 0.04 0.04 0.99 -0.94 -1.23 0.00 0.00 174.94 173.85 1wkk s SER 41 N 1.28 6.59 0.34 3.58 1.04 -1.26 -4.72 113.70 120.54 1wkk s SER 41 Ca 0.54 1.74 0.08 0.00 0.48 0.00 0.00 55.95 58.80 1wkk s SER 41 Cb -0.24 -2.54 0.80 0.00 0.10 0.00 0.00 66.02 64.14 1wkk s SER 41 CO 0.23 -0.61 1.82 -0.61 0.98 0.00 0.00 173.24 175.06 1wkk h GLN 42 N 1.45 0.70 0.40 4.02 5.75 -1.97 -0.19 115.11 125.28 1wkk h GLN 42 Ca -0.48 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 57.95 1wkk h GLN 42 Cb 1.20 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.59 1wkk h GLN 42 CO 0.60 0.46 -0.19 1.49 -2.65 0.00 0.00 178.83 178.54 1wkk h GLU 43 N 0.72 -0.52 -0.92 1.69 4.57 -1.99 -1.95 114.58 116.16 1wkk h GLU 43 Ca 0.51 0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.84 1wkk h GLU 43 Cb 0.84 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 29.47 1wkk h GLU 43 CO -0.28 -0.25 0.56 1.25 -1.18 0.00 0.00 179.01 179.11 1wkk h LEU 44 N -0.74 0.81 -0.80 1.64 5.85 -1.67 -0.26 115.31 120.15 1wkk h LEU 44 Ca -0.06 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1wkk h LEU 44 Cb 0.51 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1wkk h LEU 44 CO 0.09 0.45 0.32 0.00 -0.34 0.00 0.00 178.44 178.96 1wkk h ALA 45 N 1.50 1.03 -0.34 1.25 0.00 -0.99 -0.86 119.26 120.86 1wkk h ALA 45 Ca 0.45 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1wkk h ALA 45 Cb 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1wkk h ALA 45 CO -0.26 0.65 -0.32 0.93 0.00 0.00 0.00 179.25 180.26 1wkk h GLU 46 N 1.15 0.82 0.00 0.00 5.08 -0.43 -0.82 114.58 120.40 1wkk h GLU 46 Ca 0.27 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1wkk h GLU 46 Cb 0.21 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1wkk h GLU 46 CO -0.02 1.06 -0.24 0.00 -1.00 0.00 0.00 179.01 178.81 1wkk h ARG 47 N 0.61 0.00 0.00 2.33 3.08 -0.84 -0.14 114.38 119.43 1wkk h ARG 47 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1wkk h ARG 47 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1wkk h ARG 47 CO 0.08 0.24 -0.09 1.25 -1.07 0.00 0.00 179.97 180.38 1wkk h HIS 48 N 0.00 0.09 -0.70 3.04 2.76 -0.88 -3.32 115.15 116.14 1wkk h HIS 48 Ca -0.00 -0.05 -0.28 0.00 -2.20 0.00 0.00 60.37 57.84 1wkk h HIS 48 Cb 0.49 -0.01 -0.17 0.00 1.55 0.00 0.00 27.41 29.27 1wkk h HIS 48 CO 0.00 0.87 0.35 0.66 -1.30 0.00 0.00 177.93 178.52 1wkk n TYR 49 N -4.62 2.24 -0.18 5.26 4.01 -0.34 -4.54 117.16 118.99 1wkk n TYR 49 Ca -0.10 -1.25 0.22 0.00 -0.16 0.00 0.00 57.90 56.61 1wkk n TYR 49 Cb 0.44 -0.69 0.61 0.00 -0.31 0.00 0.00 39.34 39.39 1wkk n TYR 49 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wkk h ALA 50 N 2.04 2.45 -0.99 -0.72 0.00 -1.12 -0.45 119.26 120.46 1wkk h ALA 50 Ca 0.34 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.44 1wkk h ALA 50 Cb 2.25 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.96 1wkk h ALA 50 CO 0.73 -0.70 0.61 1.49 0.00 0.00 0.00 179.25 181.39 1wkk h GLU 51 N 0.22 0.68 -0.58 0.00 4.81 -1.86 -1.75 114.58 116.10 1wkk h GLU 51 Ca 0.41 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.41 1wkk h GLU 51 Cb 1.29 -0.15 -0.12 0.00 0.63 0.00 0.00 28.75 30.40 1wkk h GLU 51 CO -0.09 0.45 0.18 0.72 -0.73 0.00 0.00 179.01 179.54 1wkk n HIS 52 N -4.72 1.90 0.31 0.92 -0.00 -0.18 -4.63 115.22 108.82 1wkk n HIS 52 Ca 0.23 -1.30 0.19 0.00 -0.00 0.00 0.00 57.72 56.84 1wkk n HIS 52 Cb 0.60 -0.60 0.99 0.00 -0.00 0.00 0.00 29.99 30.98 1wkk n HIS 52 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1wkk h ARG 53 N 1.92 0.00 0.10 -0.41 0.11 -1.33 -2.62 114.38 112.16 1wkk h ARG 53 Ca 0.24 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 60.00 1wkk h ARG 53 Cb 2.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 33.12 1wkk h ARG 53 CO 0.59 0.02 -1.73 0.93 0.10 0.00 0.00 179.97 179.89 1wkk h GLU 54 N 0.00 0.21 -6.64 0.08 4.39 -1.83 -3.48 114.58 107.31 1wkk h GLU 54 Ca -0.00 -0.37 -0.57 0.00 0.34 0.00 0.00 59.36 58.76 1wkk h GLU 54 Cb 0.16 0.14 0.18 0.00 -0.10 0.00 0.00 28.75 29.13 1wkk h GLU 54 CO 0.00 1.03 -0.31 1.63 -1.16 0.00 0.00 179.01 180.21 1wkk n LYS 55 N -3.39 0.45 0.03 2.33 4.76 -0.99 -4.89 118.16 116.47 1wkk n LYS 55 Ca -0.22 0.19 0.13 0.00 -2.87 0.00 0.00 58.31 55.54 1wkk n LYS 55 Cb 1.05 -1.85 0.54 0.00 -1.84 0.00 0.00 35.03 32.93 1wkk n LYS 55 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1wkk n PRO 56 N -0.60 0.08 0.00 1.97 -0.04 -1.26 -3.17 135.00 131.98 1wkk n PRO 56 Ca 0.11 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1wkk n PRO 56 Cb 0.49 -1.59 0.34 0.00 -0.04 0.00 0.00 33.50 32.70 1wkk n PRO 56 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1wkk n PHE 57 N -1.73 0.00 -0.26 0.54 1.16 -1.26 -4.36 117.46 111.55 1wkk n PHE 57 Ca 0.06 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.62 1wkk n PHE 57 Cb 0.35 -0.05 0.09 0.00 -1.61 0.00 0.00 39.48 38.26 1wkk n PHE 57 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1wkk h PHE 58 N 2.21 0.86 -0.17 2.97 3.04 -1.75 -0.52 116.94 123.58 1wkk h PHE 58 Ca 0.00 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.01 1wkk h PHE 58 Cb 0.60 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 1wkk h PHE 58 CO 0.00 0.48 -0.05 -1.35 -2.02 0.00 0.00 178.31 175.37 1wkk h PRO 59 N 0.89 -0.02 -0.23 6.41 0.11 -1.84 -1.00 132.00 136.32 1wkk h PRO 59 Ca 0.30 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.28 1wkk h PRO 59 Cb 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1wkk h PRO 59 CO -0.12 -0.01 -0.40 0.78 -0.21 0.00 0.00 178.00 178.03 1wkk h GLY 60 N -0.02 0.59 0.78 -0.55 0.00 -1.82 -0.89 103.07 101.16 1wkk h GLY 60 Ca 0.09 -0.58 0.05 0.00 0.00 0.00 0.00 47.33 46.88 1wkk h GLY 60 CO -0.19 0.53 0.48 -2.00 0.00 0.00 0.00 176.54 175.36 1wkk h LEU 61 N 0.44 0.77 -0.01 3.11 6.46 -0.66 -0.99 115.31 124.44 1wkk h LEU 61 Ca 0.04 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.67 1wkk h LEU 61 Cb 0.90 -0.15 0.01 0.00 -0.73 0.00 0.00 40.66 40.68 1wkk h LEU 61 CO 0.08 0.51 -0.53 0.58 -0.62 0.00 0.00 178.44 178.46 1wkk h VAL 62 N 0.91 1.44 -0.24 1.05 2.07 -1.04 -2.82 116.25 117.63 1wkk h VAL 62 Ca 0.33 -2.03 0.06 0.00 0.82 0.00 0.00 66.70 65.89 1wkk h VAL 62 Cb 0.10 2.58 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 1wkk h VAL 62 CO -0.15 0.59 -0.23 -0.09 0.02 0.00 0.00 177.57 177.71 1wkk h ARG 63 N -0.15 -0.23 0.06 1.57 2.43 -0.88 -2.58 114.38 114.62 1wkk h ARG 63 Ca -0.06 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1wkk h ARG 63 Cb 1.24 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1wkk h ARG 63 CO 0.11 -0.15 -0.12 0.35 -1.51 0.00 0.00 179.97 178.64 1wkk h PHE 64 N -0.24 -0.32 0.00 2.20 3.57 -1.27 -1.33 116.94 119.55 1wkk h PHE 64 Ca 0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1wkk h PHE 64 Cb 0.45 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1wkk h PHE 64 CO -0.39 -0.19 0.00 1.51 -2.23 0.00 0.00 178.31 177.02 1wkk n ILE 65 N -5.25 1.68 -0.09 1.41 0.13 -1.00 -1.06 119.36 115.18 1wkk n ILE 65 Ca -0.06 0.42 0.00 0.00 -1.10 0.00 0.00 62.75 62.01 1wkk n ILE 65 Cb 0.17 -1.42 0.00 0.00 -0.84 0.00 0.00 39.64 37.55 1wkk n ILE 65 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1wkk n THR 66 N -1.42 0.12 0.25 9.51 -2.24 -0.87 -4.60 114.28 115.03 1wkk n THR 66 Ca 0.00 -0.51 0.15 0.00 -2.27 0.00 0.00 64.05 61.42 1wkk n THR 66 Cb 0.00 1.02 0.75 0.00 -2.10 0.00 0.00 70.33 70.01 1wkk n THR 66 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1wkk h SER 67 N 0.00 0.00 -5.34 3.42 4.64 0.03 -3.45 113.55 112.85 1wkk h SER 67 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 1wkk h SER 67 Cb 0.11 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.13 1wkk h SER 67 CO 0.00 0.00 0.50 -0.83 -0.87 0.00 0.00 176.83 175.63 1wkk s GLY 68 N -3.76 -0.12 0.74 -0.77 0.00 -1.26 -5.11 107.32 97.04 1wkk s GLY 68 Ca -0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 44.72 44.55 1wkk s GLY 68 CO 0.31 0.54 1.11 2.56 0.00 0.00 0.00 173.10 177.63 1wkk s PRO 69 N -2.97 2.34 0.31 2.90 0.04 -1.26 -4.64 135.00 131.72 1wkk s PRO 69 Ca 0.15 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1wkk s PRO 69 Cb -0.02 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1wkk s PRO 69 CO 0.03 -1.60 0.09 0.14 0.04 0.00 0.00 177.00 175.70 1wkk s VAL 70 N -2.58 0.83 -0.26 -0.36 -7.23 0.46 -4.18 120.40 107.09 1wkk s VAL 70 Ca 0.65 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1wkk s VAL 70 Cb -0.20 -2.66 0.06 0.00 0.56 0.00 0.00 36.38 34.14 1wkk s VAL 70 CO 0.50 0.00 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.48 1wkk s VAL 71 N -3.46 2.18 0.06 1.32 1.01 -0.91 -0.93 120.40 119.67 1wkk s VAL 71 Ca 0.35 -1.60 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 1wkk s VAL 71 Cb 0.07 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1wkk s VAL 71 CO 0.15 -0.00 0.29 0.00 0.00 0.00 0.00 175.10 175.54 1wkk s ALA 72 N 1.11 3.86 0.24 5.51 0.00 -0.28 -1.16 121.76 131.05 1wkk s ALA 72 Ca -0.08 -0.62 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 1wkk s ALA 72 Cb -0.20 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1wkk s ALA 72 CO -0.05 0.69 0.60 0.00 0.00 0.00 0.00 175.76 177.00 1wkk s MET 73 N -2.18 1.59 -0.10 0.00 0.23 -0.13 -1.13 119.30 117.60 1wkk s MET 73 Ca 0.33 -0.98 -0.00 0.00 -1.03 0.00 0.00 55.69 54.01 1wkk s MET 73 Cb -0.13 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 33.75 1wkk s MET 73 CO 0.21 -0.70 -0.06 0.08 -2.03 0.00 0.00 175.02 172.52 1wkk s VAL 74 N -3.92 0.87 -0.09 5.16 1.01 -0.48 -1.46 120.40 121.49 1wkk s VAL 74 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1wkk s VAL 74 Cb -0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1wkk s VAL 74 CO 0.04 0.34 0.14 -0.76 0.00 0.00 0.00 175.10 174.85 1wkk s LEU 75 N 1.62 4.31 -0.06 3.92 1.43 -0.79 -0.38 118.68 128.73 1wkk s LEU 75 Ca 0.02 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1wkk s LEU 75 Cb -0.13 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.91 1wkk s LEU 75 CO -0.06 0.37 -0.13 -0.70 0.23 0.00 0.00 176.35 176.06 1wkk s GLU 76 N -1.26 1.65 0.00 1.70 2.12 -0.26 -1.39 118.70 121.26 1wkk s GLU 76 Ca 0.18 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1wkk s GLU 76 Cb -0.12 -1.39 0.00 0.00 0.26 0.00 0.00 34.13 32.88 1wkk s GLU 76 CO 0.08 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1wkk n GLY 77 N 3.64 0.39 3.48 -1.50 0.00 -0.93 -1.53 105.19 108.75 1wkk n GLY 77 Ca -0.22 -1.15 -0.46 0.00 0.00 0.00 0.00 46.02 44.19 1wkk n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wkk n PRO 78 N -0.80 0.97 -3.68 1.61 -0.02 -1.26 -1.61 135.00 130.21 1wkk n PRO 78 Ca 0.00 0.21 -0.28 0.00 -2.02 0.00 0.00 63.50 61.41 1wkk n PRO 78 Cb 0.00 -2.55 0.02 0.00 -0.02 0.00 0.00 33.50 30.95 1wkk n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wkk n GLY 79 N 6.41 -0.50 0.32 -1.23 0.00 -1.26 -4.85 105.19 104.08 1wkk n GLY 79 Ca 0.43 0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.77 1wkk n GLY 79 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wkk h VAL 80 N -1.83 0.74 0.42 1.61 3.04 -1.60 -2.40 116.25 116.23 1wkk h VAL 80 Ca -0.54 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.13 1wkk h VAL 80 Cb 1.36 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1wkk h VAL 80 CO 0.63 0.00 -0.20 0.58 -1.01 0.00 0.00 177.57 177.57 1wkk h VAL 81 N 0.00 0.53 -0.48 1.51 2.07 -1.87 -1.38 116.25 116.63 1wkk h VAL 81 Ca 0.09 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1wkk h VAL 81 Cb 0.40 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1wkk h VAL 81 CO -0.00 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.57 1wkk h ALA 82 N -0.40 0.66 -0.64 1.67 0.00 -1.88 -2.37 119.26 116.29 1wkk h ALA 82 Ca -0.06 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1wkk h ALA 82 Cb 0.55 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1wkk h ALA 82 CO 0.09 0.55 0.36 0.93 0.00 0.00 0.00 179.25 181.19 1wkk h GLU 83 N 0.77 0.66 -0.34 0.00 4.39 -1.46 -0.59 114.58 118.00 1wkk h GLU 83 Ca 0.13 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 1wkk h GLU 83 Cb 0.64 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1wkk h GLU 83 CO 0.04 0.44 -0.12 0.28 -1.16 0.00 0.00 179.01 178.49 1wkk h VAL 84 N 0.68 1.24 -0.44 3.13 2.07 -1.14 0.17 116.25 121.96 1wkk h VAL 84 Ca 0.28 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1wkk h VAL 84 Cb 0.15 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1wkk h VAL 84 CO -0.16 0.36 0.28 0.03 0.02 0.00 0.00 177.57 178.10 1wkk h ARG 85 N 0.54 0.58 -0.53 1.57 2.47 -0.75 -1.38 114.38 116.87 1wkk h ARG 85 Ca 0.10 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 1wkk h ARG 85 Cb 0.53 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1wkk h ARG 85 CO 0.03 0.39 0.12 -0.22 0.56 0.00 0.00 179.97 180.86 1wkk h LYS 86 N 0.59 0.86 -0.20 0.04 3.64 -0.58 -2.91 116.57 118.02 1wkk h LYS 86 Ca 0.16 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1wkk h LYS 86 Cb -0.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1wkk h LYS 86 CO -0.03 0.82 -0.05 0.52 -2.27 0.00 0.00 179.45 178.44 1wkk h MET 87 N 0.75 0.29 -0.02 1.90 2.86 -0.64 -2.81 114.93 117.26 1wkk h MET 87 Ca 0.17 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.57 1wkk h MET 87 Cb 0.35 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1wkk h MET 87 CO 0.00 0.36 -0.79 0.52 1.06 0.00 0.00 176.91 178.06 1wkk h MET 88 N 0.29 0.24 0.00 1.72 2.86 -1.12 -0.30 114.93 118.62 1wkk h MET 88 Ca 0.06 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1wkk h MET 88 Cb 0.28 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1wkk h MET 88 CO 0.01 0.91 0.00 0.41 1.06 0.00 0.00 176.91 179.30 1wkk n GLY 89 N 0.68 -0.54 3.49 8.32 0.00 -1.06 -0.78 105.19 115.30 1wkk n GLY 89 Ca -0.03 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1wkk n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkk n ALA 90 N -0.42 -1.18 0.04 4.61 0.00 -1.26 -4.89 120.51 117.40 1wkk n ALA 90 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1wkk n ALA 90 Cb 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 1wkk n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wkk h THR 91 N -0.16 0.99 -3.65 0.00 2.02 -1.97 -3.38 112.91 106.76 1wkk h THR 91 Ca -0.46 -0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.16 1wkk h THR 91 Cb 1.36 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 68.69 1wkk h THR 91 CO 0.45 0.00 0.93 -1.00 0.37 0.00 0.00 175.52 176.27 1wkk s HIS 92 N -6.19 2.81 0.65 3.16 3.76 -1.26 -4.82 115.29 113.41 1wkk s HIS 92 Ca -0.13 0.75 0.17 0.00 -0.15 0.00 0.00 55.06 55.70 1wkk s HIS 92 Cb 0.06 -4.37 0.89 0.00 1.11 0.00 0.00 32.58 30.27 1wkk s HIS 92 CO 0.66 -1.28 1.49 -1.35 -0.85 0.00 0.00 174.74 173.41 1wkk h PRO 93 N 9.24 0.00 -0.24 8.40 0.11 -1.84 0.17 132.00 147.83 1wkk h PRO 93 Ca -0.23 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.77 1wkk h PRO 93 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1wkk h PRO 93 CO 1.12 0.00 -0.30 1.57 -0.21 0.00 0.00 178.00 180.18 1wkk h LYS 94 N 0.00 0.50 0.00 1.05 2.10 -1.90 -3.06 116.57 115.26 1wkk h LYS 94 Ca 0.06 -0.21 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1wkk h LYS 94 Cb 1.44 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 1wkk h LYS 94 CO -0.00 0.75 -0.86 -0.44 -2.00 0.00 0.00 179.45 176.89 1wkk h ASP 95 N 0.43 0.00 -3.42 7.07 3.32 -1.01 -3.47 116.42 119.33 1wkk h ASP 95 Ca 0.06 -0.09 -0.53 0.00 0.02 0.00 0.00 57.03 56.49 1wkk h ASP 95 Cb 0.74 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.35 1wkk h ASP 95 CO 0.06 0.05 0.76 0.00 -1.72 0.00 0.00 179.24 178.38 1wkk s ALA 96 N -3.29 3.62 0.28 3.45 0.00 -1.16 -4.71 121.76 119.95 1wkk s ALA 96 Ca 0.02 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 1wkk s ALA 96 Cb 0.11 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 1wkk s ALA 96 CO 0.77 -0.75 0.63 -0.51 0.00 0.00 0.00 175.76 175.90 1wkk s LEU 97 N -0.51 4.11 0.67 0.00 1.43 -1.26 -4.57 118.68 118.55 1wkk s LEU 97 Ca 0.59 1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 54.58 1wkk s LEU 97 Cb -0.42 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 1wkk s LEU 97 CO 0.44 -0.14 1.04 -2.65 0.23 0.00 0.00 176.35 175.27 1wkk n PRO 98 N -0.31 0.77 0.00 1.29 -0.02 -1.26 -1.95 135.00 133.51 1wkk n PRO 98 Ca 0.02 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1wkk n PRO 98 Cb 0.53 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1wkk n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wkk n GLY 99 N 1.13 2.10 3.89 -1.23 0.00 -1.26 -4.99 105.19 104.83 1wkk n GLY 99 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1wkk n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wkk s THR 100 N -2.32 5.06 0.09 2.61 2.01 -0.83 -4.97 115.64 117.29 1wkk s THR 100 Ca 0.00 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.89 1wkk s THR 100 Cb 0.00 -3.65 -0.16 0.00 0.01 0.00 0.00 72.50 68.71 1wkk s THR 100 CO 0.00 -0.07 1.68 0.40 -0.69 0.00 0.00 174.62 175.93 1wkk h ILE 101 N 1.88 0.64 -0.36 1.82 2.04 -1.06 0.77 117.51 123.24 1wkk h ILE 101 Ca -0.47 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 1wkk h ILE 101 Cb 1.17 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1wkk h ILE 101 CO 0.70 0.00 -0.20 0.03 0.00 0.00 0.00 178.15 178.68 1wkk h ARG 102 N -0.45 0.68 0.00 2.37 3.08 -1.21 0.15 114.38 118.99 1wkk h ARG 102 Ca -0.03 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1wkk h ARG 102 Cb 0.37 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1wkk h ARG 102 CO 0.04 0.83 -0.12 0.78 -1.07 0.00 0.00 179.97 180.44 1wkk h GLY 103 N 0.98 0.00 0.00 0.04 0.00 -1.68 -0.16 103.07 102.25 1wkk h GLY 103 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.06 1wkk h GLY 103 CO 0.05 0.00 -2.37 1.22 0.00 0.00 0.00 176.54 175.44 1wkk n ASP 104 N -3.44 0.25 -0.03 0.19 8.00 0.24 -4.57 116.55 117.19 1wkk n ASP 104 Ca -0.01 -0.01 -0.01 0.00 0.71 0.00 0.00 54.79 55.47 1wkk n ASP 104 Cb 0.28 0.89 -0.07 0.00 -0.02 0.00 0.00 41.12 42.20 1wkk n ASP 104 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wkk n PHE 105 N -2.77 0.00 -3.47 1.24 3.01 0.49 -5.05 117.46 110.91 1wkk n PHE 105 Ca -0.33 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 57.86 1wkk n PHE 105 Cb 1.13 -0.37 -0.03 0.00 -0.01 0.00 0.00 39.48 40.21 1wkk n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wkk s ALA 106 N -2.36 3.71 0.00 4.37 0.00 -0.08 -5.00 121.76 122.39 1wkk s ALA 106 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1wkk s ALA 106 Cb 0.04 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1wkk s ALA 106 CO 0.38 0.24 0.00 0.25 0.00 0.00 0.00 175.76 176.63 1wkk n THR 107 N -1.07 0.00 -4.17 0.00 -2.24 -1.26 -4.77 114.28 100.77 1wkk n THR 107 Ca -0.03 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 1wkk n THR 107 Cb 0.54 -0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.45 1wkk n THR 107 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wkk s THR 108 N -1.39 1.00 0.26 4.28 -4.23 -1.26 -4.77 115.64 109.53 1wkk s THR 108 Ca 0.00 -1.49 -0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1wkk s THR 108 Cb 0.00 -1.22 0.08 0.00 1.34 0.00 0.00 72.50 72.70 1wkk s THR 108 CO 0.00 -0.42 1.72 -0.29 -0.54 0.00 0.00 174.62 175.09 1wkk h ILE 109 N 3.87 1.26 -0.54 2.99 6.09 -1.96 -2.91 117.51 126.31 1wkk h ILE 109 Ca -0.38 -1.18 0.08 0.00 -1.37 0.00 0.00 64.86 62.01 1wkk h ILE 109 Cb 1.19 1.16 -0.07 0.00 0.47 0.00 0.00 36.82 39.57 1wkk h ILE 109 CO 0.47 0.39 0.17 0.44 -3.07 0.00 0.00 178.15 176.56 1wkk h ASP 110 N 0.58 0.15 -3.33 2.19 3.32 -1.97 -3.22 116.42 114.14 1wkk h ASP 110 Ca 0.10 0.07 -0.66 0.00 0.02 0.00 0.00 57.03 56.56 1wkk h ASP 110 Cb 0.60 0.07 -0.39 0.00 0.22 0.00 0.00 39.33 39.84 1wkk h ASP 110 CO 0.04 0.10 -0.35 -1.61 -1.72 0.00 0.00 179.24 175.70 1wkk s GLU 111 N -6.12 2.81 -0.21 3.56 2.02 -1.10 -4.90 118.70 114.75 1wkk s GLU 111 Ca -0.13 -3.24 0.07 0.00 0.02 0.00 0.00 54.97 51.68 1wkk s GLU 111 Cb 0.16 -3.67 0.50 0.00 0.10 0.00 0.00 34.13 31.22 1wkk s GLU 111 CO 0.73 -1.26 1.42 0.27 0.02 0.00 0.00 175.26 176.45 1wkk n ASN 112 N 2.26 3.88 0.00 -0.19 6.94 -1.19 -4.25 115.26 122.71 1wkk n ASN 112 Ca 0.19 -2.78 0.00 0.00 -0.02 0.00 0.00 54.58 51.98 1wkk n ASN 112 Cb 0.36 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 1wkk n ASN 112 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1wkk n VAL 113 N 0.04 0.00 -3.61 3.53 0.31 -1.26 -4.78 118.33 112.56 1wkk n VAL 113 Ca 0.26 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.48 1wkk n VAL 113 Cb 1.02 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.91 1wkk n VAL 113 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1wkk s ILE 114 N 0.00 0.06 0.00 2.52 2.07 -1.26 -1.35 121.20 123.23 1wkk s ILE 114 Ca 0.00 -0.46 0.01 0.00 -1.41 0.00 0.00 60.65 58.79 1wkk s ILE 114 Cb 0.00 -1.11 -0.01 0.00 0.13 0.00 0.00 42.46 41.48 1wkk s ILE 114 CO 0.00 -0.26 -0.05 -2.28 -1.91 0.00 0.00 174.94 170.44 1wkk s HIS 115 N -3.54 0.44 -0.00 3.50 5.65 -0.05 -4.92 115.29 116.37 1wkk s HIS 115 Ca 0.01 -0.15 0.01 0.00 0.25 0.00 0.00 55.06 55.17 1wkk s HIS 115 Cb 0.01 -0.28 0.00 0.00 -1.18 0.00 0.00 32.58 31.13 1wkk s HIS 115 CO -0.10 -0.02 -0.02 0.20 -0.65 0.00 0.00 174.74 174.15 1wkk s GLY 116 N -0.36 0.11 0.19 1.59 0.00 -1.26 -0.71 107.32 106.88 1wkk s GLY 116 Ca -0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 44.72 44.34 1wkk s GLY 116 CO -0.00 -0.02 0.95 1.44 0.00 0.00 0.00 173.10 175.47 1wkk n SER 117 N 3.11 0.56 0.08 1.64 7.64 -0.10 -4.90 113.62 121.65 1wkk n SER 117 Ca -0.13 1.15 -0.10 0.00 1.01 0.00 0.00 58.87 60.80 1wkk n SER 117 Cb 0.59 -1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 62.60 1wkk n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wkk h ALA 118 N 2.38 0.42 -2.84 -0.43 0.00 -1.92 -3.45 119.26 113.41 1wkk h ALA 118 Ca -0.39 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 53.65 1wkk h ALA 118 Cb 1.37 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1wkk h ALA 118 CO 0.64 0.97 -0.14 0.95 0.00 0.00 0.00 179.25 181.68 1wkk s THR 119 N -3.04 0.00 0.26 0.00 -4.23 -1.26 -4.95 115.64 102.43 1wkk s THR 119 Ca -0.02 -1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1wkk s THR 119 Cb 0.10 -2.30 0.25 0.00 1.34 0.00 0.00 72.50 71.89 1wkk s THR 119 CO 0.84 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 176.68 1wkk h LEU 120 N 2.24 0.86 -0.32 4.79 3.38 -1.93 0.11 115.31 124.44 1wkk h LEU 120 Ca -0.27 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1wkk h LEU 120 Cb 1.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1wkk h LEU 120 CO 0.37 0.49 0.14 -0.33 0.09 0.00 0.00 178.44 179.20 1wkk h GLU 121 N 0.96 0.47 -0.49 1.13 3.07 -1.98 -1.76 114.58 115.98 1wkk h GLU 121 Ca 0.45 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 59.17 1wkk h GLU 121 Cb 0.37 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1wkk h GLU 121 CO -0.24 0.45 0.06 -0.44 -1.40 0.00 0.00 179.01 177.44 1wkk h ASP 122 N 0.37 0.73 0.11 1.42 3.32 -1.75 -2.58 116.42 118.05 1wkk h ASP 122 Ca 0.11 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1wkk h ASP 122 Cb 0.14 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1wkk h ASP 122 CO -0.01 0.76 -0.12 0.00 -1.72 0.00 0.00 179.24 178.15 1wkk h ALA 123 N 1.33 -0.23 -0.31 3.45 0.00 -0.34 0.19 119.26 123.34 1wkk h ALA 123 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1wkk h ALA 123 Cb 0.36 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1wkk h ALA 123 CO 0.01 -0.65 0.19 1.96 0.00 0.00 0.00 179.25 180.76 1wkk h GLN 124 N -0.26 0.37 0.27 0.00 4.20 -1.20 0.01 115.11 118.50 1wkk h GLN 124 Ca 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1wkk h GLN 124 Cb 0.26 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1wkk h GLN 124 CO -0.04 0.25 -0.13 -0.09 -0.67 0.00 0.00 178.83 178.14 1wkk h ARG 125 N 0.39 -0.35 -1.00 1.46 2.43 -1.28 -1.77 114.38 114.26 1wkk h ARG 125 Ca 0.12 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1wkk h ARG 125 Cb -0.01 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1wkk h ARG 125 CO -0.05 -0.19 0.66 0.93 -1.51 0.00 0.00 179.97 179.81 1wkk h GLU 126 N -0.42 1.29 -0.40 0.20 5.08 -0.49 -1.39 114.58 118.45 1wkk h GLU 126 Ca -0.04 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1wkk h GLU 126 Cb 0.32 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1wkk h GLU 126 CO 0.06 0.85 0.08 0.82 -1.00 0.00 0.00 179.01 179.82 1wkk h ILE 127 N 1.33 1.24 0.00 3.13 2.04 -0.91 -1.29 117.51 123.05 1wkk h ILE 127 Ca 0.37 -0.84 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 1wkk h ILE 127 Cb -0.11 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1wkk h ILE 127 CO -0.09 0.29 -0.31 0.00 0.00 0.00 0.00 178.15 178.03 1wkk h ALA 128 N 0.93 1.43 0.17 1.87 0.00 -0.96 0.15 119.26 122.85 1wkk h ALA 128 Ca 0.12 -0.28 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 1wkk h ALA 128 Cb 0.35 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.11 1wkk h ALA 128 CO 0.01 0.39 -1.32 1.25 0.00 0.00 0.00 179.25 179.58 1wkk h LEU 129 N 0.00 0.69 0.00 0.00 5.85 -1.02 -3.35 115.31 117.48 1wkk h LEU 129 Ca -0.00 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1wkk h LEU 129 Cb 0.57 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1wkk h LEU 129 CO 0.04 1.54 -1.18 0.49 -0.34 0.00 0.00 178.44 178.98 1wkk n PHE 130 N -3.67 0.49 -4.69 1.25 3.72 -0.51 -4.94 117.46 109.11 1wkk n PHE 130 Ca -0.13 0.14 -0.24 0.00 -0.05 0.00 0.00 57.45 57.17 1wkk n PHE 130 Cb 1.04 -0.65 -0.16 0.00 -0.94 0.00 0.00 39.48 38.76 1wkk n PHE 130 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1wkk s PHE 131 N -3.32 1.46 0.35 1.38 0.08 0.51 -5.08 117.98 113.37 1wkk s PHE 131 Ca 0.00 -0.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.39 1wkk s PHE 131 Cb 0.12 -1.00 -0.09 0.00 -0.57 0.00 0.00 43.02 41.48 1wkk s PHE 131 CO 0.81 -0.14 1.02 1.03 -0.10 0.00 0.00 175.22 177.84 1wkk s ARG 132 N 0.09 4.38 0.34 0.44 0.52 -1.26 -4.53 118.95 118.92 1wkk s ARG 132 Ca -0.03 1.50 0.11 0.00 -0.52 0.00 0.00 55.73 56.78 1wkk s ARG 132 Cb -0.10 -2.73 0.90 0.00 0.52 0.00 0.00 34.95 33.53 1wkk s ARG 132 CO 0.02 0.05 1.77 -1.35 0.02 0.00 0.00 175.30 175.81 1wkk h PRO 133 N 2.93 0.58 0.00 3.54 0.11 -1.94 -0.74 132.00 136.48 1wkk h PRO 133 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1wkk h PRO 133 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1wkk h PRO 133 CO 0.64 0.38 0.00 1.05 -0.21 0.00 0.00 178.00 179.86 1wkk h GLU 134 N 0.60 0.00 0.00 1.05 9.09 -2.04 -2.79 114.58 120.49 1wkk h GLU 134 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.00 1wkk h GLU 134 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 1wkk h GLU 134 CO -0.36 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.09 1wkk n GLU 135 N -2.55 0.16 -3.11 1.06 1.02 -0.28 -4.76 120.64 112.17 1wkk n GLU 135 Ca 0.01 0.15 -0.39 0.00 -0.02 0.00 0.00 57.16 56.90 1wkk n GLU 135 Cb 0.21 -1.69 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 1wkk n GLU 135 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wkk s LEU 136 N -3.93 4.35 0.00 -4.62 1.43 -1.05 -4.60 118.68 110.25 1wkk s LEU 136 Ca 0.11 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1wkk s LEU 136 Cb 0.15 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1wkk s LEU 136 CO 0.55 -0.04 0.33 0.18 0.23 0.00 0.00 176.35 177.60