#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdd s VAL 3 N 0.00 5.20 0.17 5.09 1.01 -1.26 -5.05 120.40 125.56 1wdd s VAL 3 Ca 0.00 0.68 -0.32 0.00 0.00 0.00 0.00 61.98 62.35 1wdd s VAL 3 Cb 0.00 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 1wdd s VAL 3 CO 0.00 0.25 1.60 0.86 0.00 0.00 0.00 175.10 177.82 1wdd s TRP 4 N 1.33 2.98 0.55 5.22 -0.11 -1.26 -4.93 118.94 122.72 1wdd s TRP 4 Ca 0.18 0.55 -0.20 0.00 1.22 0.00 0.00 56.10 57.85 1wdd s TRP 4 Cb -0.15 -3.97 -0.06 0.00 -1.50 0.00 0.00 33.47 27.79 1wdd s TRP 4 CO 0.08 -3.63 1.02 -2.30 -4.62 0.00 0.00 176.95 167.50 1wdd n PRO 5 N 4.10 1.13 0.00 5.86 -0.02 -1.26 -4.95 135.00 139.86 1wdd n PRO 5 Ca 0.14 0.42 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 1wdd n PRO 5 Cb 0.38 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 1wdd n PRO 5 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1wdd n ILE 6 N -1.30 0.00 -3.99 4.25 -5.35 -1.26 -4.95 119.36 106.76 1wdd n ILE 6 Ca 0.12 -0.15 -0.09 0.00 -0.27 0.00 0.00 62.75 62.36 1wdd n ILE 6 Cb 0.45 1.04 -0.08 0.00 -1.74 0.00 0.00 39.64 39.30 1wdd n ILE 6 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1wdd s GLU 7 N -2.44 0.86 -0.04 6.28 2.02 -1.26 -4.88 118.70 119.24 1wdd s GLU 7 Ca 0.08 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1wdd s GLU 7 Cb 0.13 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1wdd s GLU 7 CO 0.63 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1wdd n GLY 8 N -0.05 0.30 1.75 -1.39 0.00 -1.26 -4.86 105.19 99.69 1wdd n GLY 8 Ca -0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 1wdd n GLY 8 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wdd n ILE 9 N -2.54 1.42 -1.56 -0.61 2.08 -1.26 -5.08 119.36 111.81 1wdd n ILE 9 Ca -0.00 -2.75 -0.36 0.00 0.56 0.00 0.00 62.75 60.19 1wdd n ILE 9 Cb 0.24 0.31 0.08 0.00 -0.75 0.00 0.00 39.64 39.51 1wdd n ILE 9 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1wdd n LYS 10 N -0.44 0.82 -4.28 0.38 5.02 -1.26 -4.99 118.16 113.41 1wdd n LYS 10 Ca 0.18 0.34 -0.24 0.00 -2.02 0.00 0.00 58.31 56.56 1wdd n LYS 10 Cb 0.91 -2.36 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 1wdd n LYS 10 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wdd s LYS 11 N -3.29 2.14 -0.27 1.97 -0.14 -1.26 -5.07 119.74 113.83 1wdd s LYS 11 Ca 0.78 -1.73 0.19 0.00 -1.36 0.00 0.00 55.97 53.85 1wdd s LYS 11 Cb -0.37 -1.97 0.49 0.00 -1.68 0.00 0.00 37.83 34.30 1wdd s LYS 11 CO 0.45 0.10 1.12 1.19 -0.76 0.00 0.00 175.35 177.46 1wdd n PHE 12 N -1.02 1.65 -4.80 3.18 3.72 -1.26 -5.03 117.46 113.90 1wdd n PHE 12 Ca -0.04 -2.20 0.00 0.00 -0.05 0.00 0.00 57.45 55.16 1wdd n PHE 12 Cb 0.62 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1wdd n PHE 12 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1wdd n GLU 13 N -0.60 0.00 -1.69 -1.08 -0.58 -1.26 -4.61 120.64 110.82 1wdd n GLU 13 Ca 0.17 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.47 1wdd n GLU 13 Cb 0.84 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.67 1wdd n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1wdd n THR 14 N 0.00 0.22 -0.32 2.62 -1.04 -1.26 -1.29 114.28 113.21 1wdd n THR 14 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1wdd n THR 14 Cb 0.00 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 1wdd n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wdd n LEU 15 N 4.81 0.00 0.00 -4.42 4.77 -1.26 -4.61 117.00 116.29 1wdd n LEU 15 Ca 0.18 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1wdd n LEU 15 Cb 0.33 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 42.21 1wdd n LEU 15 CO 0.66 0.00 0.97 -1.54 -1.33 0.00 0.00 177.39 176.15 1wdd n SER 16 N 0.00 0.00 -0.96 -1.43 3.41 -0.41 -2.13 113.62 112.10 1wdd n SER 16 Ca 0.00 -0.80 0.11 0.00 -0.26 0.00 0.00 58.87 57.92 1wdd n SER 16 Cb 0.00 -0.01 0.14 0.00 -0.26 0.00 0.00 64.21 64.08 1wdd n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1wdd n TYR 17 N -1.01 0.21 -2.99 7.33 4.02 -1.26 -4.84 117.16 118.61 1wdd n TYR 17 Ca 0.20 -0.11 -0.18 0.00 -0.01 0.00 0.00 57.90 57.79 1wdd n TYR 17 Cb 0.10 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.43 1wdd n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1wdd s LEU 18 N -1.64 3.62 0.80 7.72 1.43 -0.90 -5.08 118.68 124.63 1wdd s LEU 18 Ca 0.30 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 1wdd s LEU 18 Cb 0.20 -2.73 0.08 0.00 0.03 0.00 0.00 46.19 43.76 1wdd s LEU 18 CO 0.28 -0.79 1.17 -2.84 0.23 0.00 0.00 176.35 174.40 1wdd s PRO 19 N -4.42 1.74 0.18 1.29 0.02 -1.26 -4.86 135.00 127.68 1wdd s PRO 19 Ca 0.54 1.63 -0.32 0.00 0.02 0.00 0.00 61.00 62.87 1wdd s PRO 19 Cb -0.10 -1.80 -0.16 0.00 0.02 0.00 0.00 34.50 32.46 1wdd s PRO 19 CO 0.34 -2.11 1.03 -2.30 -0.33 0.00 0.00 177.00 173.63 1wdd n PRO 20 N -3.35 0.94 -2.41 5.54 -0.02 -1.26 -4.87 135.00 129.56 1wdd n PRO 20 Ca 0.12 0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 1wdd n PRO 20 Cb 0.51 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 1wdd n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wdd s LEU 21 N 0.90 4.45 0.82 2.45 1.02 -1.26 -5.04 118.68 122.03 1wdd s LEU 21 Ca 0.71 2.17 -0.09 0.00 0.02 0.00 0.00 54.13 56.94 1wdd s LEU 21 Cb -0.87 -3.60 0.14 0.00 0.02 0.00 0.00 46.19 41.88 1wdd s LEU 21 CO 0.55 -0.36 1.15 0.42 0.02 0.00 0.00 176.35 178.13 1wdd s THR 22 N 0.07 2.10 0.25 5.49 -4.23 -1.26 -4.85 115.64 113.21 1wdd s THR 22 Ca 0.53 -0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.75 1wdd s THR 22 Cb -0.31 -2.86 0.18 0.00 1.34 0.00 0.00 72.50 70.85 1wdd s THR 22 CO 0.35 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 176.85 1wdd h VAL 23 N -1.05 1.25 -0.41 2.29 2.07 -1.99 -0.60 116.25 117.81 1wdd h VAL 23 Ca -0.42 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 1wdd h VAL 23 Cb 1.27 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1wdd h VAL 23 CO 0.45 0.30 -0.07 1.05 0.02 0.00 0.00 177.57 179.32 1wdd h GLU 24 N 1.10 0.70 -0.32 1.57 -0.00 -1.99 0.65 114.58 116.28 1wdd h GLU 24 Ca 0.26 -0.20 -0.01 0.00 -0.00 0.00 0.00 59.36 59.41 1wdd h GLU 24 Cb 0.14 -0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 28.80 1wdd h GLU 24 CO -0.03 0.76 0.18 -0.44 -0.00 0.00 0.00 179.01 179.48 1wdd h ASP 25 N 0.64 0.40 -0.45 3.06 3.45 -1.68 -1.07 116.42 120.77 1wdd h ASP 25 Ca 0.12 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1wdd h ASP 25 Cb 0.50 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 1wdd h ASP 25 CO 0.03 0.37 0.22 -0.07 -1.57 0.00 0.00 179.24 178.21 1wdd h LEU 26 N 0.40 0.58 -0.63 1.55 3.38 -0.80 -2.13 115.31 117.67 1wdd h LEU 26 Ca 0.11 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1wdd h LEU 26 Cb 0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1wdd h LEU 26 CO -0.02 0.55 0.35 -0.07 0.09 0.00 0.00 178.44 179.34 1wdd h LEU 27 N 0.58 0.53 -1.17 1.67 4.07 -0.66 -1.20 115.31 119.13 1wdd h LEU 27 Ca 0.15 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.08 1wdd h LEU 27 Cb 0.12 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 1wdd h LEU 27 CO -0.02 0.35 -0.10 0.11 -1.08 0.00 0.00 178.44 177.70 1wdd h LYS 28 N 0.67 0.45 -0.34 1.13 1.57 -0.85 0.23 116.57 119.43 1wdd h LYS 28 Ca 0.28 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 1wdd h LYS 28 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1wdd h LYS 28 CO -0.16 0.56 -0.40 1.96 -0.57 0.00 0.00 179.45 180.83 1wdd h GLN 29 N 0.43 0.83 -0.45 3.15 1.08 -0.89 -1.59 115.11 117.66 1wdd h GLN 29 Ca 0.08 -0.44 -0.10 0.00 -1.45 0.00 0.00 58.65 56.74 1wdd h GLN 29 Cb 0.44 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1wdd h GLN 29 CO 0.02 1.08 -0.14 0.82 -0.95 0.00 0.00 178.83 179.66 1wdd h ILE 30 N 0.67 1.26 -0.38 2.54 2.04 -0.66 -1.79 117.51 121.20 1wdd h ILE 30 Ca 0.05 -1.24 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 1wdd h ILE 30 Cb 0.97 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1wdd h ILE 30 CO 0.09 0.42 -0.01 -0.33 0.00 0.00 0.00 178.15 178.33 1wdd h GLU 31 N 0.76 0.61 -0.37 2.37 5.08 -0.35 -1.02 114.58 121.65 1wdd h GLU 31 Ca 0.12 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1wdd h GLU 31 Cb 0.65 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1wdd h GLU 31 CO 0.05 0.64 0.08 -0.92 -1.00 0.00 0.00 179.01 177.86 1wdd h TYR 32 N 0.58 0.63 -0.28 4.33 3.20 -1.03 0.13 116.97 124.53 1wdd h TYR 32 Ca 0.12 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1wdd h TYR 32 Cb 0.39 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1wdd h TYR 32 CO 0.02 0.63 0.08 1.25 -1.64 0.00 0.00 178.16 178.49 1wdd h LEU 33 N 0.45 0.08 -0.42 2.82 6.46 -0.87 -1.54 115.31 122.30 1wdd h LEU 33 Ca 0.12 0.03 -0.16 0.00 -0.12 0.00 0.00 57.88 57.75 1wdd h LEU 33 Cb 0.32 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1wdd h LEU 33 CO 0.00 0.08 -0.41 -0.07 -0.62 0.00 0.00 178.44 177.42 1wdd h LEU 34 N 0.20 0.94 -1.30 2.25 3.38 -0.99 -1.82 115.31 117.98 1wdd h LEU 34 Ca 0.13 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1wdd h LEU 34 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1wdd h LEU 34 CO -0.14 1.23 -0.34 0.03 0.09 0.00 0.00 178.44 179.30 1wdd h ARG 35 N 0.71 0.00 0.00 1.13 3.08 -0.56 -1.45 114.38 117.30 1wdd h ARG 35 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1wdd h ARG 35 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1wdd h ARG 35 CO 0.10 0.34 0.00 0.43 -1.07 0.00 0.00 179.97 179.77 1wdd n SER 36 N -4.01 0.00 -0.83 7.04 7.64 -0.59 -4.89 113.62 117.97 1wdd n SER 36 Ca -0.02 -0.28 -0.07 0.00 1.01 0.00 0.00 58.87 59.51 1wdd n SER 36 Cb 0.40 -0.22 -0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1wdd n SER 36 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1wdd n LYS 37 N -1.22 -0.61 -3.38 1.43 4.76 -0.54 -5.04 118.16 113.55 1wdd n LYS 37 Ca 0.15 0.35 -0.23 0.00 -2.87 0.00 0.00 58.31 55.70 1wdd n LYS 37 Cb 0.19 -4.24 -0.01 0.00 -1.84 0.00 0.00 35.03 29.13 1wdd n LYS 37 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1wdd s TRP 38 N -2.37 3.45 -0.22 2.13 0.51 -0.70 -4.93 118.94 116.80 1wdd s TRP 38 Ca 0.00 0.29 -0.14 0.00 -2.12 0.00 0.00 56.10 54.13 1wdd s TRP 38 Cb -0.00 -1.92 -0.04 0.00 -0.81 0.00 0.00 33.47 30.69 1wdd s TRP 38 CO 0.00 0.08 0.33 0.08 -0.51 0.00 0.00 176.95 176.94 1wdd s VAL 39 N -2.32 5.24 0.43 4.03 1.01 -0.07 -4.56 120.40 124.16 1wdd s VAL 39 Ca 0.41 0.54 -0.15 0.00 0.00 0.00 0.00 61.98 62.77 1wdd s VAL 39 Cb -0.10 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 1wdd s VAL 39 CO 0.36 0.26 0.87 -2.16 0.00 0.00 0.00 175.10 174.42 1wdd s PRO 40 N 1.37 3.96 -0.10 2.72 0.04 -1.26 -1.58 135.00 140.15 1wdd s PRO 40 Ca 0.15 0.79 -0.18 0.00 0.04 0.00 0.00 61.00 61.80 1wdd s PRO 40 Cb -0.15 -2.28 0.04 0.00 0.04 0.00 0.00 34.50 32.16 1wdd s PRO 40 CO 0.07 -0.08 0.43 0.00 0.04 0.00 0.00 177.00 177.47 1wdd s LEU 42 N -0.53 3.93 0.06 0.00 1.02 -1.26 -0.41 118.68 121.49 1wdd s LEU 42 Ca -0.06 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.21 1wdd s LEU 42 Cb -0.03 -2.42 -0.03 0.00 0.02 0.00 0.00 46.19 43.72 1wdd s LEU 42 CO 0.03 0.23 -0.05 -1.61 0.02 0.00 0.00 176.35 174.98 1wdd s GLU 43 N -2.03 0.61 0.08 1.70 2.02 -0.53 -0.98 118.70 119.57 1wdd s GLU 43 Ca 0.26 -1.07 -0.13 0.00 0.02 0.00 0.00 54.97 54.05 1wdd s GLU 43 Cb -0.12 0.00 0.02 0.00 0.10 0.00 0.00 34.13 34.13 1wdd s GLU 43 CO 0.18 -0.05 0.29 -0.59 0.02 0.00 0.00 175.26 175.11 1wdd s PHE 44 N -3.02 -0.05 -0.14 1.61 -0.71 0.81 -0.74 117.98 115.75 1wdd s PHE 44 Ca 0.02 -0.23 -0.29 0.00 -1.04 0.00 0.00 56.93 55.39 1wdd s PHE 44 Cb 0.01 0.09 0.07 0.00 -1.21 0.00 0.00 43.02 41.99 1wdd s PHE 44 CO -0.05 -0.57 0.72 0.45 -1.34 0.00 0.00 175.22 174.43 1wdd s SER 45 N -2.51 -0.67 0.00 1.98 0.15 -0.62 -0.88 113.70 111.15 1wdd s SER 45 Ca 0.00 0.96 0.27 0.00 0.70 0.00 0.00 55.95 57.88 1wdd s SER 45 Cb 0.02 0.86 0.86 0.00 -1.71 0.00 0.00 66.02 66.04 1wdd s SER 45 CO -0.08 -0.46 1.63 0.29 1.20 0.00 0.00 173.24 175.82 1wdd n LYS 46 N 1.55 0.80 -4.38 5.44 5.02 -1.26 -0.59 118.16 124.74 1wdd n LYS 46 Ca -0.17 -0.44 -0.34 0.00 -2.02 0.00 0.00 58.31 55.35 1wdd n LYS 46 Cb 0.56 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.93 1wdd n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wdd s VAL 47 N -2.50 2.85 -1.08 -0.18 1.01 -1.26 -4.91 120.40 114.33 1wdd s VAL 47 Ca 0.25 -0.70 0.24 0.00 0.00 0.00 0.00 61.98 61.77 1wdd s VAL 47 Cb 0.19 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1wdd s VAL 47 CO 0.51 0.50 1.26 0.61 0.00 0.00 0.00 175.10 177.98 1wdd n GLY 48 N 4.19 -1.10 3.26 4.51 0.00 -1.26 -4.98 105.19 109.81 1wdd n GLY 48 Ca -0.19 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1wdd n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wdd s PHE 49 N -2.95 1.29 0.73 1.61 0.08 -1.26 -5.04 117.98 112.43 1wdd s PHE 49 Ca 0.11 -0.96 -0.11 0.00 0.12 0.00 0.00 56.93 56.09 1wdd s PHE 49 Cb 0.17 -0.73 0.03 0.00 -0.57 0.00 0.00 43.02 41.92 1wdd s PHE 49 CO 0.73 -0.14 1.08 0.14 -0.10 0.00 0.00 175.22 176.94 1wdd s VAL 50 N -3.56 3.58 0.38 -0.44 -7.23 -1.26 -4.72 120.40 107.14 1wdd s VAL 50 Ca 0.24 0.51 -0.11 0.00 -1.81 0.00 0.00 61.98 60.81 1wdd s VAL 50 Cb 0.06 -3.36 0.04 0.00 0.56 0.00 0.00 36.38 33.67 1wdd s VAL 50 CO 0.04 -0.67 0.70 -0.72 -0.31 0.00 0.00 175.10 174.14 1wdd s TYR 51 N -3.20 0.42 -0.40 2.82 1.13 -0.66 -4.98 117.35 112.48 1wdd s TYR 51 Ca 0.59 -0.96 0.02 0.00 -1.41 0.00 0.00 57.07 55.30 1wdd s TYR 51 Cb -0.13 0.56 0.15 0.00 -1.10 0.00 0.00 41.96 41.44 1wdd s TYR 51 CO 0.54 -1.45 0.26 1.03 -2.51 0.00 0.00 175.55 173.42 1wdd s ARG 52 N -2.50 0.88 -0.24 -3.49 0.52 -1.26 -0.21 118.95 112.64 1wdd s ARG 52 Ca 0.20 -1.76 -0.03 0.00 -0.52 0.00 0.00 55.73 53.63 1wdd s ARG 52 Cb -0.04 -1.65 -0.17 0.00 0.52 0.00 0.00 34.95 33.61 1wdd s ARG 52 CO 0.14 -1.25 -0.16 -1.91 0.02 0.00 0.00 175.30 172.14 1wdd n GLU 53 N 3.54 0.65 0.09 3.54 2.13 -1.26 -4.64 120.64 124.69 1wdd n GLU 53 Ca 0.16 0.20 0.12 0.00 0.66 0.00 0.00 57.16 58.29 1wdd n GLU 53 Cb 0.39 -1.55 0.01 0.00 0.27 0.00 0.00 31.44 30.57 1wdd n GLU 53 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1wdd n ASN 54 N -3.49 0.77 -3.51 4.31 4.13 -1.26 -4.98 115.26 111.23 1wdd n ASN 54 Ca -0.45 0.24 -0.09 0.00 1.68 0.00 0.00 54.58 55.95 1wdd n ASN 54 Cb 0.97 0.52 -0.03 0.00 -1.54 0.00 0.00 39.78 39.71 1wdd n ASN 54 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1wdd s HIS 55 N -3.34 -0.38 -0.07 3.10 2.46 -1.26 -5.04 115.29 110.77 1wdd s HIS 55 Ca 0.00 0.31 0.11 0.00 0.47 0.00 0.00 55.06 55.96 1wdd s HIS 55 Cb 0.11 0.52 0.20 0.00 -0.13 0.00 0.00 32.58 33.28 1wdd s HIS 55 CO 0.79 -0.55 1.10 0.54 -2.47 0.00 0.00 174.74 174.15 1wdd n ARG 56 N -0.08 0.60 -1.72 2.88 1.74 -1.26 -4.77 116.66 114.04 1wdd n ARG 56 Ca -0.10 -1.92 -0.31 0.00 -0.77 0.00 0.00 57.85 54.75 1wdd n ARG 56 Cb 0.61 -0.88 0.03 0.00 -1.02 0.00 0.00 32.46 31.20 1wdd n ARG 56 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wdd s SER 57 N -2.01 5.76 0.04 0.55 1.04 -1.26 -4.92 113.70 112.89 1wdd s SER 57 Ca 0.20 1.54 -0.36 0.00 0.48 0.00 0.00 55.95 57.81 1wdd s SER 57 Cb 0.19 -2.49 -0.15 0.00 0.10 0.00 0.00 66.02 63.67 1wdd s SER 57 CO -0.02 -1.19 1.52 -2.65 0.98 0.00 0.00 173.24 171.88 1wdd n PRO 58 N -2.92 1.54 -0.87 4.02 -0.02 -1.26 -1.59 135.00 133.91 1wdd n PRO 58 Ca 0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1wdd n PRO 58 Cb 0.54 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1wdd n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wdd n GLY 59 N 3.19 1.00 3.63 -1.23 0.00 -1.26 -5.01 105.19 105.51 1wdd n GLY 59 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1wdd n GLY 59 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wdd s TYR 60 N -3.77 3.27 0.01 1.61 6.14 -0.62 -5.07 117.35 118.92 1wdd s TYR 60 Ca 0.00 0.15 -0.03 0.00 0.64 0.00 0.00 57.07 57.83 1wdd s TYR 60 Cb 0.00 -2.28 -0.01 0.00 0.42 0.00 0.00 41.96 40.09 1wdd s TYR 60 CO 0.00 -0.01 0.04 0.71 0.64 0.00 0.00 175.55 176.93 1wdd s TYR 61 N 1.22 0.13 0.51 4.97 2.02 -1.26 -4.64 117.35 120.30 1wdd s TYR 61 Ca 0.07 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1wdd s TYR 61 Cb -0.14 -0.11 0.01 0.00 -0.40 0.00 0.00 41.96 41.32 1wdd s TYR 61 CO 0.06 -0.20 0.75 -0.51 -1.57 0.00 0.00 175.55 174.08 1wdd s ASP 62 N -1.22 5.61 0.00 2.29 1.01 0.71 -4.52 116.67 120.55 1wdd s ASP 62 Ca -0.13 0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.42 1wdd s ASP 62 Cb -0.08 -1.38 0.00 0.00 1.01 0.00 0.00 42.92 42.47 1wdd s ASP 62 CO 0.00 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.08 1wdd n GLY 63 N -2.27 0.82 0.17 0.21 0.00 -1.26 -1.65 105.19 101.21 1wdd n GLY 63 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1wdd n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wdd h ARG 64 N 2.72 0.56 -6.68 1.61 3.08 -1.90 -3.39 114.38 110.39 1wdd h ARG 64 Ca 0.00 -0.68 -0.50 0.00 0.07 0.00 0.00 59.98 58.86 1wdd h ARG 64 Cb 0.00 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1wdd h ARG 64 CO 0.00 1.28 0.38 0.71 -1.07 0.00 0.00 179.97 181.27 1wdd s TYR 65 N -3.12 3.86 0.48 3.04 2.02 -1.26 -5.05 117.35 117.32 1wdd s TYR 65 Ca -0.08 1.83 0.04 0.00 -0.37 0.00 0.00 57.07 58.48 1wdd s TYR 65 Cb 0.07 -3.06 0.04 0.00 -0.40 0.00 0.00 41.96 38.60 1wdd s TYR 65 CO 0.91 0.18 0.29 0.91 -1.57 0.00 0.00 175.55 176.27 1wdd n TRP 66 N 2.00 -0.34 -3.46 2.71 7.02 -1.26 -5.08 117.44 119.02 1wdd n TRP 66 Ca 0.00 -2.10 -0.38 0.00 -1.02 0.00 0.00 57.50 54.00 1wdd n TRP 66 Cb 0.47 -0.38 -0.06 0.00 -2.42 0.00 0.00 31.31 28.92 1wdd n TRP 66 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1wdd s THR 67 N -2.47 4.98 0.08 -0.99 2.01 -0.06 -4.82 115.64 114.37 1wdd s THR 67 Ca 0.22 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.82 1wdd s THR 67 Cb -0.02 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 1wdd s THR 67 CO 0.14 0.57 1.20 -0.32 -0.69 0.00 0.00 174.62 175.52 1wdd s MET 68 N -1.07 4.45 -0.40 4.92 1.75 -1.26 -0.14 119.30 127.55 1wdd s MET 68 Ca 0.25 1.78 -0.23 0.00 -1.25 0.00 0.00 55.69 56.24 1wdd s MET 68 Cb -0.17 -3.33 0.02 0.00 2.84 0.00 0.00 34.83 34.18 1wdd s MET 68 CO 0.14 -0.22 0.79 -0.46 -0.65 0.00 0.00 175.02 174.62 1wdd s TRP 69 N 0.88 3.06 0.00 4.11 -0.11 -0.15 -4.90 118.94 121.83 1wdd s TRP 69 Ca 0.58 0.41 0.00 0.00 1.22 0.00 0.00 56.10 58.30 1wdd s TRP 69 Cb -0.30 -3.51 0.00 0.00 -1.50 0.00 0.00 33.47 28.16 1wdd s TRP 69 CO 0.30 -0.83 0.00 1.63 -4.62 0.00 0.00 176.95 173.43 1wdd n LYS 70 N 6.55 0.00 -4.33 5.86 5.02 -1.26 -4.50 118.16 125.49 1wdd n LYS 70 Ca 0.03 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 1wdd n LYS 70 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1wdd n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wdd s LEU 71 N 0.00 2.10 0.60 -0.35 1.43 -1.26 -5.09 118.68 116.11 1wdd s LEU 71 Ca 0.00 -1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 51.65 1wdd s LEU 71 Cb 0.00 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.97 1wdd s LEU 71 CO 0.00 -0.56 1.28 -2.84 0.23 0.00 0.00 176.35 174.46 1wdd s PRO 72 N -3.90 2.85 -1.36 1.29 0.02 -1.26 -4.80 135.00 127.84 1wdd s PRO 72 Ca 0.30 2.04 -0.10 0.00 0.02 0.00 0.00 61.00 63.26 1wdd s PRO 72 Cb 0.06 -1.99 0.11 0.00 0.02 0.00 0.00 34.50 32.70 1wdd s PRO 72 CO 0.10 -1.36 2.13 -1.33 -0.33 0.00 0.00 177.00 176.21 1wdd n MET 73 N -1.55 3.59 -1.83 5.54 2.81 0.18 -4.97 117.12 120.89 1wdd n MET 73 Ca 0.14 -3.18 -0.41 0.00 -1.81 0.00 0.00 57.70 52.43 1wdd n MET 73 Cb 0.48 -2.96 -0.02 0.00 -0.71 0.00 0.00 33.22 30.01 1wdd n MET 73 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1wdd s PHE 74 N 0.98 2.81 0.00 2.03 0.08 -1.26 -2.16 117.98 120.46 1wdd s PHE 74 Ca 0.46 0.83 0.00 0.00 0.12 0.00 0.00 56.93 58.34 1wdd s PHE 74 Cb 0.13 -4.02 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 1wdd s PHE 74 CO -0.04 -3.40 0.00 0.41 -0.10 0.00 0.00 175.22 172.09 1wdd n GLY 75 N 2.18 1.00 3.73 4.36 0.00 -1.26 -5.02 105.19 110.18 1wdd n GLY 75 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1wdd n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdd n THR 77 N 3.11 0.58 -3.76 0.00 -2.24 -1.26 -5.01 114.28 105.70 1wdd n THR 77 Ca 0.11 -0.66 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 1wdd n THR 77 Cb 0.38 0.52 -0.17 0.00 -2.10 0.00 0.00 70.33 68.96 1wdd n THR 77 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wdd s ASP 78 N -1.05 2.58 0.47 3.42 2.15 -1.26 -5.00 116.67 117.98 1wdd s ASP 78 Ca 0.06 -0.63 0.16 0.00 0.43 0.00 0.00 52.55 52.57 1wdd s ASP 78 Cb 0.05 -0.59 1.14 0.00 -0.30 0.00 0.00 42.92 43.22 1wdd s ASP 78 CO 0.01 -0.27 2.02 0.00 -0.17 0.00 0.00 175.17 176.75 1wdd h ALA 79 N 8.25 2.10 -0.93 3.66 0.00 -1.95 -1.42 119.26 128.98 1wdd h ALA 79 Ca -0.18 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1wdd h ALA 79 Cb 1.12 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1wdd h ALA 79 CO 0.32 -0.21 0.60 1.15 0.00 0.00 0.00 179.25 181.12 1wdd h THR 80 N 0.26 1.10 -0.64 0.00 2.02 -1.96 -1.78 112.91 111.91 1wdd h THR 80 Ca 0.22 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1wdd h THR 80 Cb 0.52 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1wdd h THR 80 CO -0.04 0.20 0.32 -0.61 0.37 0.00 0.00 175.52 175.75 1wdd h GLN 81 N 1.09 0.91 -0.77 6.66 5.75 -1.69 0.29 115.11 127.36 1wdd h GLN 81 Ca 0.39 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.73 1wdd h GLN 81 Cb 0.14 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1wdd h GLN 81 CO -0.14 0.72 0.34 0.28 -2.65 0.00 0.00 178.83 177.38 1wdd h VAL 82 N 0.88 1.25 -0.65 2.39 2.07 -1.37 -1.51 116.25 119.32 1wdd h VAL 82 Ca 0.22 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1wdd h VAL 82 Cb 0.10 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1wdd h VAL 82 CO -0.03 0.31 0.15 -0.07 0.02 0.00 0.00 177.57 177.95 1wdd h LEU 83 N 1.10 0.96 -0.63 2.57 3.38 -0.67 -1.29 115.31 120.74 1wdd h LEU 83 Ca 0.26 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1wdd h LEU 83 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1wdd h LEU 83 CO -0.03 0.93 0.40 0.50 0.09 0.00 0.00 178.44 180.34 1wdd h LYS 84 N 0.97 0.79 -0.44 1.13 1.63 -0.51 -1.03 116.57 119.11 1wdd h LYS 84 Ca 0.20 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 1wdd h LYS 84 Cb 0.35 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1wdd h LYS 84 CO 0.00 0.52 -0.04 0.93 -3.45 0.00 0.00 179.45 177.41 1wdd h GLU 85 N 0.81 0.74 -0.80 1.90 4.39 -0.91 -1.03 114.58 119.68 1wdd h GLU 85 Ca 0.24 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1wdd h GLU 85 Cb -0.05 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 1wdd h GLU 85 CO -0.07 0.78 0.46 1.25 -1.16 0.00 0.00 179.01 180.27 1wdd h LEU 86 N 0.69 0.97 -0.53 1.33 5.85 -0.69 0.18 115.31 123.10 1wdd h LEU 86 Ca 0.13 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1wdd h LEU 86 Cb 0.49 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1wdd h LEU 86 CO 0.02 0.77 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.53 1wdd h GLU 87 N 1.11 0.96 -0.71 1.25 4.39 -0.60 -1.40 114.58 119.57 1wdd h GLU 87 Ca 0.28 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1wdd h GLU 87 Cb -0.01 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1wdd h GLU 87 CO -0.05 0.99 0.28 0.93 -1.16 0.00 0.00 179.01 180.00 1wdd h GLU 88 N 0.84 1.06 -0.47 2.33 5.08 -0.62 -1.98 114.58 120.81 1wdd h GLU 88 Ca 0.15 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1wdd h GLU 88 Cb 0.57 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1wdd h GLU 88 CO 0.03 0.86 -0.13 0.00 -1.00 0.00 0.00 179.01 178.77 1wdd h ALA 89 N 1.27 0.65 -0.16 3.43 0.00 -0.67 -1.41 119.26 122.37 1wdd h ALA 89 Ca 0.24 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1wdd h ALA 89 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wdd h ALA 89 CO -0.02 0.57 -0.20 0.87 0.00 0.00 0.00 179.25 180.48 1wdd h LYS 90 N 0.77 0.27 -0.34 0.00 1.57 -1.14 0.15 116.57 117.85 1wdd h LYS 90 Ca 0.12 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1wdd h LYS 90 Cb 0.69 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1wdd h LYS 90 CO 0.05 0.47 -0.46 -0.22 -0.57 0.00 0.00 179.45 178.72 1wdd h LYS 91 N 0.25 0.92 -0.05 3.15 3.64 -1.14 -1.79 116.57 121.54 1wdd h LYS 91 Ca 0.05 -0.53 -0.19 0.00 -1.27 0.00 0.00 60.65 58.70 1wdd h LYS 91 Cb 0.50 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1wdd h LYS 91 CO 0.03 1.18 -0.78 0.00 -2.27 0.00 0.00 179.45 177.61 1wdd h ALA 92 N 0.73 0.55 -2.07 5.00 0.00 -1.02 -3.39 119.26 119.07 1wdd h ALA 92 Ca 0.04 -0.64 -0.57 0.00 0.00 0.00 0.00 54.91 53.74 1wdd h ALA 92 Cb 1.06 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.40 1wdd h ALA 92 CO 0.11 0.79 -0.98 0.66 0.00 0.00 0.00 179.25 179.82 1wdd n TYR 93 N -3.80 0.59 0.29 0.00 4.01 0.50 -4.95 117.16 113.81 1wdd n TYR 93 Ca -0.05 -3.70 0.17 0.00 -0.16 0.00 0.00 57.90 54.17 1wdd n TYR 93 Cb 0.74 -0.38 0.84 0.00 -0.31 0.00 0.00 39.34 40.22 1wdd n TYR 93 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1wdd h PRO 94 N 4.10 0.00 -0.59 -0.72 0.13 -1.52 -1.38 132.00 132.02 1wdd h PRO 94 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1wdd h PRO 94 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1wdd h PRO 94 CO 0.55 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.92 1wdd n ASP 95 N -2.77 5.68 -4.48 1.44 5.75 -1.26 -4.50 116.55 116.40 1wdd n ASP 95 Ca -0.01 -2.91 -0.27 0.00 -0.01 0.00 0.00 54.79 51.59 1wdd n ASP 95 Cb 0.15 -0.68 -0.11 0.00 -1.03 0.00 0.00 41.12 39.44 1wdd n ASP 95 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wdd s ALA 96 N -2.73 2.69 0.35 2.12 0.00 -0.52 -4.70 121.76 118.97 1wdd s ALA 96 Ca 0.54 -1.54 -0.24 0.00 0.00 0.00 0.00 51.96 50.72 1wdd s ALA 96 Cb 0.41 -0.52 -0.10 0.00 0.00 0.00 0.00 23.12 22.91 1wdd s ALA 96 CO 0.16 0.47 0.93 -0.06 0.00 0.00 0.00 175.76 177.26 1wdd s PHE 97 N -1.59 3.57 -0.06 0.00 0.40 0.24 -4.02 117.98 116.52 1wdd s PHE 97 Ca 0.22 1.71 0.02 0.00 -0.60 0.00 0.00 56.93 58.28 1wdd s PHE 97 Cb -0.09 -2.88 0.01 0.00 0.51 0.00 0.00 43.02 40.57 1wdd s PHE 97 CO 0.12 0.12 -0.12 0.08 0.70 0.00 0.00 175.22 176.11 1wdd s VAL 98 N -1.79 1.10 0.15 -0.44 1.01 -0.65 -1.58 120.40 118.21 1wdd s VAL 98 Ca 0.54 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 62.15 1wdd s VAL 98 Cb -0.15 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1wdd s VAL 98 CO 0.20 0.34 -0.23 0.00 0.00 0.00 0.00 175.10 175.42 1wdd s ARG 99 N 0.60 1.36 -0.14 2.72 1.70 0.08 -0.75 118.95 124.52 1wdd s ARG 99 Ca -0.13 -1.38 -0.03 0.00 -0.47 0.00 0.00 55.73 53.73 1wdd s ARG 99 Cb -0.15 -1.68 -0.03 0.00 -0.57 0.00 0.00 34.95 32.53 1wdd s ARG 99 CO 0.03 0.38 -0.05 0.42 -1.08 0.00 0.00 175.30 175.00 1wdd s ILE 100 N -1.45 3.77 0.30 4.99 1.01 -0.21 -1.45 121.20 128.15 1wdd s ILE 100 Ca 0.15 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.46 1wdd s ILE 100 Cb -0.09 -2.63 -0.06 0.00 0.01 0.00 0.00 42.46 39.70 1wdd s ILE 100 CO 0.07 0.52 -0.06 0.27 0.00 0.00 0.00 174.94 175.74 1wdd s ILE 101 N 0.15 1.74 -0.06 2.92 -4.36 0.45 -1.46 121.20 120.59 1wdd s ILE 101 Ca -0.02 -2.13 -0.03 0.00 -0.26 0.00 0.00 60.65 58.20 1wdd s ILE 101 Cb -0.14 -2.51 0.03 0.00 1.25 0.00 0.00 42.46 41.09 1wdd s ILE 101 CO 0.03 -0.26 0.14 -0.83 0.24 0.00 0.00 174.94 174.26 1wdd s GLY 102 N -3.48 -0.05 0.15 6.27 0.00 -0.51 -0.92 107.32 108.78 1wdd s GLY 102 Ca 0.30 0.55 0.06 0.00 0.00 0.00 0.00 44.72 45.64 1wdd s GLY 102 CO 0.13 0.73 -0.13 -0.11 0.00 0.00 0.00 173.10 173.72 1wdd s PHE 103 N 0.75 1.48 -0.26 1.90 -0.12 -0.62 -0.33 117.98 120.79 1wdd s PHE 103 Ca -0.06 -0.60 -0.07 0.00 -0.05 0.00 0.00 56.93 56.16 1wdd s PHE 103 Cb -0.07 -0.74 -0.02 0.00 -0.63 0.00 0.00 43.02 41.56 1wdd s PHE 103 CO -0.04 0.20 0.05 0.34 -0.05 0.00 0.00 175.22 175.72 1wdd s ASP 104 N -2.86 4.97 0.10 1.98 -1.08 -0.85 -0.89 116.67 118.03 1wdd s ASP 104 Ca 0.15 -0.37 0.28 0.00 -0.52 0.00 0.00 52.55 52.09 1wdd s ASP 104 Cb -0.02 -1.88 1.01 0.00 -1.46 0.00 0.00 42.92 40.57 1wdd s ASP 104 CO 0.04 -0.07 1.84 -0.46 0.52 0.00 0.00 175.17 177.03 1wdd n ASN 105 N 4.89 0.39 -0.04 -0.34 6.94 -1.26 -0.56 115.26 125.28 1wdd n ASN 105 Ca -0.16 0.51 -0.12 0.00 -0.02 0.00 0.00 54.58 54.78 1wdd n ASN 105 Cb 0.50 -0.60 -0.11 0.00 -2.36 0.00 0.00 39.78 37.21 1wdd n ASN 105 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 1wdd h VAL 106 N 0.00 1.47 0.00 3.53 2.07 -1.96 -3.22 116.25 118.14 1wdd h VAL 106 Ca 0.00 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1wdd h VAL 106 Cb 0.61 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1wdd h VAL 106 CO 0.00 0.45 -0.25 0.54 0.02 0.00 0.00 177.57 178.33 1wdd n ARG 107 N -4.72 0.11 -3.49 1.57 1.74 -1.24 -4.97 116.66 105.67 1wdd n ARG 107 Ca -0.09 0.06 -0.20 0.00 -0.77 0.00 0.00 57.85 56.85 1wdd n ARG 107 Cb 0.37 -1.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1wdd n ARG 107 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1wdd n GLN 108 N -1.78 -1.42 -3.49 5.56 7.27 0.28 -5.02 117.38 118.77 1wdd n GLN 108 Ca 0.06 0.82 -0.14 0.00 0.07 0.00 0.00 57.00 57.81 1wdd n GLN 108 Cb 0.38 -4.43 -0.04 0.00 2.41 0.00 0.00 30.24 28.56 1wdd n GLN 108 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wdd s VAL 109 N -3.26 0.01 0.05 1.69 0.11 -0.94 -5.02 120.40 113.06 1wdd s VAL 109 Ca 0.28 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.92 1wdd s VAL 109 Cb -0.09 -1.01 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1wdd s VAL 109 CO 0.82 -0.06 1.02 -1.10 -3.33 0.00 0.00 175.10 172.46 1wdd s GLN 110 N -2.91 4.58 0.00 1.54 -0.21 -1.26 -2.00 119.66 119.40 1wdd s GLN 110 Ca -0.03 1.51 0.15 0.00 0.02 0.00 0.00 55.36 57.01 1wdd s GLN 110 Cb -0.00 -3.40 -0.06 0.00 1.00 0.00 0.00 33.01 30.54 1wdd s GLN 110 CO -0.05 -0.00 0.73 1.28 -2.12 0.00 0.00 175.29 175.12 1wdd n LEU 111 N 3.48 1.20 -3.60 2.90 4.77 0.55 -4.97 117.00 121.34 1wdd n LEU 111 Ca 0.05 -0.66 -0.15 0.00 -0.03 0.00 0.00 56.01 55.22 1wdd n LEU 111 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1wdd n LEU 111 CO 0.52 0.25 0.39 -0.51 -1.33 0.00 0.00 177.39 176.71 1wdd s ILE 112 N -2.00 0.00 -0.29 -0.08 2.07 -1.17 -4.98 121.20 114.75 1wdd s ILE 112 Ca 0.10 -0.02 -0.13 0.00 -1.41 0.00 0.00 60.65 59.18 1wdd s ILE 112 Cb 0.11 -0.95 0.11 0.00 0.13 0.00 0.00 42.46 41.87 1wdd s ILE 112 CO 0.45 -0.01 0.72 -0.55 -1.91 0.00 0.00 174.94 173.65 1wdd s SER 113 N -0.29 -0.97 0.02 4.50 0.15 -1.26 -1.43 113.70 114.43 1wdd s SER 113 Ca -0.05 1.42 -0.18 0.00 0.70 0.00 0.00 55.95 57.85 1wdd s SER 113 Cb -0.03 1.80 0.03 0.00 -1.71 0.00 0.00 66.02 66.11 1wdd s SER 113 CO 0.04 -0.21 0.39 0.72 1.20 0.00 0.00 173.24 175.39 1wdd s PHE 114 N 2.23 -0.26 0.10 3.44 -0.71 -0.54 -4.36 117.98 117.89 1wdd s PHE 114 Ca -0.08 0.28 -0.30 0.00 -1.04 0.00 0.00 56.93 55.79 1wdd s PHE 114 Cb -0.08 0.19 -0.06 0.00 -1.21 0.00 0.00 43.02 41.85 1wdd s PHE 114 CO -0.19 -0.52 1.21 0.42 -1.34 0.00 0.00 175.22 174.80 1wdd s ILE 115 N -2.08 3.85 -0.23 -4.49 -1.09 -1.26 -1.05 121.20 114.85 1wdd s ILE 115 Ca -0.08 1.39 0.06 0.00 -2.23 0.00 0.00 60.65 59.79 1wdd s ILE 115 Cb -0.02 -3.89 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 1wdd s ILE 115 CO 0.00 0.14 0.24 0.00 -1.23 0.00 0.00 174.94 174.09 1wdd n ALA 116 N 3.54 2.68 -3.64 9.38 0.00 0.07 -4.91 120.51 127.64 1wdd n ALA 116 Ca 0.08 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1wdd n ALA 116 Cb 0.46 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 1wdd n ALA 116 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1wdd s TYR 117 N -1.76 -0.96 -0.03 0.00 5.04 -0.96 -4.97 117.35 113.72 1wdd s TYR 117 Ca 0.01 2.06 0.06 0.00 -2.44 0.00 0.00 57.07 56.76 1wdd s TYR 117 Cb 0.05 0.50 -0.01 0.00 0.35 0.00 0.00 41.96 42.84 1wdd s TYR 117 CO 0.25 -0.47 -0.21 0.15 -1.34 0.00 0.00 175.55 173.93 1wdd s LYS 118 N 1.17 1.86 0.68 4.97 1.02 -1.26 -1.63 119.74 126.54 1wdd s LYS 118 Ca -0.06 -0.76 -0.15 0.00 0.02 0.00 0.00 55.97 55.02 1wdd s LYS 118 Cb -0.05 -1.73 0.01 0.00 -0.52 0.00 0.00 37.83 35.54 1wdd s LYS 118 CO -0.12 0.41 1.13 -1.25 -0.92 0.00 0.00 175.35 174.61 1wdd s PRO 119 N -0.36 2.62 -0.15 -1.68 0.04 -1.26 -4.89 135.00 129.33 1wdd s PRO 119 Ca 0.05 1.49 -0.36 0.00 0.04 0.00 0.00 61.00 62.21 1wdd s PRO 119 Cb -0.10 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 1wdd s PRO 119 CO 0.00 -1.40 1.81 -0.35 0.04 0.00 0.00 177.00 177.09 1wdd n PRO 120 N -2.50 1.76 -0.27 0.56 -0.04 -1.26 -1.63 135.00 131.62 1wdd n PRO 120 Ca 0.11 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1wdd n PRO 120 Cb 0.52 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1wdd n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wdd n GLY 121 N 4.24 0.84 0.00 0.55 0.00 -1.26 -5.13 105.19 104.43 1wdd n GLY 121 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wdd n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32