#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 5.31 0.21 5.09 1.01 -1.26 -5.05 120.40 125.70 1wdd s VAL 3 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1wdd s VAL 3 Cb 0.00 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 1wdd s VAL 3 CO 0.00 0.34 1.43 0.86 0.00 0.00 0.00 175.10 177.74 1wdd s TRP 4 N 0.87 3.10 0.56 5.22 -0.11 -1.26 -4.93 118.94 122.39 1wdd s TRP 4 Ca 0.13 0.98 -0.21 0.00 1.22 0.00 0.00 56.10 58.23 1wdd s TRP 4 Cb -0.13 -3.78 -0.05 0.00 -1.50 0.00 0.00 33.47 28.01 1wdd s TRP 4 CO 0.04 -2.63 1.23 -2.30 -4.62 0.00 0.00 176.95 168.67 1wdd n PRO 5 N 2.87 1.39 0.00 5.86 -0.02 -1.26 -4.93 135.00 138.91 1wdd n PRO 5 Ca 0.08 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 1wdd n PRO 5 Cb 0.41 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.29 0.00 -3.93 4.25 -5.35 -1.26 -4.94 119.36 106.83 1wdd n ILE 6 Ca 0.12 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.27 1wdd n ILE 6 Cb 0.45 1.11 -0.08 0.00 -1.74 0.00 0.00 39.64 39.38 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 -2.17 0.75 0.00 6.28 2.02 -1.26 -4.90 118.70 119.42 1wdd s GLU 7 Ca 0.10 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1wdd s GLU 7 Cb 0.13 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1wdd s GLU 7 CO 0.51 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.99 1wdd n GLY 8 N 0.05 1.42 2.50 -1.39 0.00 -1.26 -4.86 105.19 101.65 1wdd n GLY 8 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1wdd n GLY 8 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wdd n ILE 9 N -2.00 1.86 -1.18 -0.61 -5.35 -1.26 -5.07 119.36 105.75 1wdd n ILE 9 Ca 0.00 -4.06 -0.33 0.00 -0.27 0.00 0.00 62.75 58.09 1wdd n ILE 9 Cb 0.00 -0.40 0.12 0.00 -1.74 0.00 0.00 39.64 37.61 1wdd n ILE 9 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1wdd s LYS 10 N -3.45 1.80 0.36 6.28 1.02 -1.26 -5.00 119.74 119.50 1wdd s LYS 10 Ca 0.40 1.63 0.09 0.00 0.02 0.00 0.00 55.97 58.11 1wdd s LYS 10 Cb 0.41 -1.81 -0.06 0.00 -0.52 0.00 0.00 37.83 35.85 1wdd s LYS 10 CO -0.07 -2.07 -0.00 0.15 -0.92 0.00 0.00 175.35 172.44 1wdd s LYS 11 N -4.25 1.99 -0.28 1.68 -0.14 -1.26 -5.07 119.74 112.42 1wdd s LYS 11 Ca 0.71 -1.90 0.19 0.00 -1.36 0.00 0.00 55.97 53.60 1wdd s LYS 11 Cb -0.26 -1.80 0.49 0.00 -1.68 0.00 0.00 37.83 34.58 1wdd s LYS 11 CO 0.50 0.07 1.12 1.19 -0.76 0.00 0.00 175.35 177.47 1wdd n PHE 12 N -0.94 1.63 -4.88 3.18 3.72 -1.26 -5.01 117.46 113.90 1wdd n PHE 12 Ca -0.04 -2.23 0.00 0.00 -0.05 0.00 0.00 57.45 55.13 1wdd n PHE 12 Cb 0.64 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.58 0.00 -1.67 -1.08 -0.58 -1.26 -4.50 120.64 110.97 1wdd n GLU 13 Ca 0.16 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.44 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 0.07 -0.12 2.62 -1.04 -1.26 -1.67 114.28 112.88 1wdd n THR 14 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1wdd n THR 14 Cb 0.00 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 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 3.33 0.00 0.00 -4.42 4.77 -1.26 -4.54 117.00 114.87 1wdd n LEU 15 Ca 0.16 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1wdd n LEU 15 Cb 0.29 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.89 1wdd n LEU 15 CO 0.63 0.00 0.77 -1.54 -1.33 0.00 0.00 177.39 175.92 1wdd n SER 16 N 0.00 0.00 -0.88 -1.43 3.41 -0.67 -1.51 113.62 112.54 1wdd n SER 16 Ca 0.00 -0.28 0.12 0.00 -0.26 0.00 0.00 58.87 58.45 1wdd n SER 16 Cb 0.00 -0.14 0.18 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.14 0.03 -2.67 7.33 4.02 -1.26 -4.82 117.16 118.64 1wdd n TYR 17 Ca 0.11 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.90 57.75 1wdd n TYR 17 Cb 0.11 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.97 3.41 0.93 7.72 1.43 -0.57 -5.05 118.68 124.57 1wdd s LEU 18 Ca 0.30 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.75 1wdd s LEU 18 Cb 0.20 -3.30 0.15 0.00 0.03 0.00 0.00 46.19 43.28 1wdd s LEU 18 CO 0.31 -0.93 1.11 -2.84 0.23 0.00 0.00 176.35 174.23 1wdd s PRO 19 N -4.79 0.95 0.23 1.29 0.02 -1.26 -4.84 135.00 126.60 1wdd s PRO 19 Ca 0.52 1.28 -0.30 0.00 0.02 0.00 0.00 61.00 62.52 1wdd s PRO 19 Cb -0.10 -1.74 -0.15 0.00 0.02 0.00 0.00 34.50 32.53 1wdd s PRO 19 CO 0.41 -2.59 1.03 -2.30 -0.33 0.00 0.00 177.00 173.22 1wdd n PRO 20 N -4.18 1.17 -2.68 5.54 -0.02 -1.26 -4.88 135.00 128.68 1wdd n PRO 20 Ca 0.09 0.41 -0.40 0.00 -2.02 0.00 0.00 63.50 61.58 1wdd n PRO 20 Cb 0.53 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 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 0.74 4.59 0.65 2.45 1.43 -1.26 -5.05 118.68 122.24 1wdd s LEU 21 Ca 0.65 1.98 -0.03 0.00 -1.03 0.00 0.00 54.13 55.71 1wdd s LEU 21 Cb -0.78 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 41.90 1wdd s LEU 21 CO 0.56 0.03 0.92 0.42 0.23 0.00 0.00 176.35 178.52 1wdd s THR 22 N -0.86 2.40 0.29 5.49 -4.23 -1.26 -4.86 115.64 112.61 1wdd s THR 22 Ca 0.43 -0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 60.46 1wdd s THR 22 Cb -0.27 -2.92 0.28 0.00 1.34 0.00 0.00 72.50 70.93 1wdd s THR 22 CO 0.33 0.00 1.91 0.58 -0.54 0.00 0.00 174.62 176.90 1wdd h VAL 23 N -0.35 1.10 -0.31 2.29 2.07 -1.99 0.55 116.25 119.61 1wdd h VAL 23 Ca -0.42 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1wdd h VAL 23 Cb 1.30 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1wdd h VAL 23 CO 0.53 0.20 0.20 -0.08 0.02 0.00 0.00 177.57 178.44 1wdd h GLU 24 N 1.10 0.42 -0.45 1.57 4.81 -1.99 0.16 114.58 120.20 1wdd h GLU 24 Ca 0.39 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1wdd h GLU 24 Cb 0.14 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1wdd h GLU 24 CO -0.14 0.29 0.27 -0.44 -0.73 0.00 0.00 179.01 178.26 1wdd h ASP 25 N 0.42 0.54 -0.42 1.04 3.45 -1.63 -0.70 116.42 119.13 1wdd h ASP 25 Ca 0.11 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.50 1wdd h ASP 25 Cb -0.03 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 1wdd h ASP 25 CO -0.02 0.44 0.20 -0.07 -1.57 0.00 0.00 179.24 178.22 1wdd h LEU 26 N 0.60 0.55 -0.97 1.55 3.38 -0.70 -1.93 115.31 117.79 1wdd h LEU 26 Ca 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1wdd h LEU 26 Cb -0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1wdd h LEU 26 CO -0.03 0.52 0.41 -0.07 0.09 0.00 0.00 178.44 179.36 1wdd h LEU 27 N 0.53 1.03 -0.83 1.67 3.38 -0.58 -1.25 115.31 119.26 1wdd h LEU 27 Ca 0.14 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1wdd h LEU 27 Cb 0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1wdd h LEU 27 CO -0.02 0.85 -0.04 0.11 0.09 0.00 0.00 178.44 179.44 1wdd h LYS 28 N 1.14 0.84 -0.53 1.13 1.57 -0.90 0.11 116.57 119.93 1wdd h LYS 28 Ca 0.28 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1wdd h LYS 28 Cb 0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1wdd h LYS 28 CO -0.04 0.86 -0.05 1.96 -0.57 0.00 0.00 179.45 181.62 1wdd h GLN 29 N 0.77 0.94 -0.59 3.15 1.08 -0.70 -1.70 115.11 118.07 1wdd h GLN 29 Ca 0.14 -0.30 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 1wdd h GLN 29 Cb 0.52 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1wdd h GLN 29 CO 0.03 0.96 -0.01 0.82 -0.95 0.00 0.00 178.83 179.68 1wdd h ILE 30 N 0.86 1.27 -0.69 2.54 2.04 -0.90 -1.33 117.51 121.29 1wdd h ILE 30 Ca 0.15 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.83 1wdd h ILE 30 Cb 0.57 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1wdd h ILE 30 CO 0.03 0.42 0.34 -0.33 0.00 0.00 0.00 178.15 178.61 1wdd h GLU 31 N 0.94 0.98 -0.41 2.37 5.08 -0.62 0.46 114.58 123.38 1wdd h GLU 31 Ca 0.17 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1wdd h GLU 31 Cb 0.56 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1wdd h GLU 31 CO 0.03 0.75 0.10 -0.92 -1.00 0.00 0.00 179.01 177.97 1wdd h TYR 32 N 0.98 0.68 -0.15 4.33 3.20 -0.97 0.38 116.97 125.41 1wdd h TYR 32 Ca 0.24 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1wdd h TYR 32 Cb 0.08 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 1wdd h TYR 32 CO 0.01 0.65 -0.03 1.25 -1.64 0.00 0.00 178.16 178.40 1wdd h LEU 33 N 0.52 -0.12 -0.49 2.82 6.46 -0.62 -1.70 115.31 122.17 1wdd h LEU 33 Ca 0.13 0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.79 1wdd h LEU 33 Cb 0.31 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1wdd h LEU 33 CO 0.00 -0.04 -0.26 -0.07 -0.62 0.00 0.00 178.44 177.45 1wdd h LEU 34 N 0.01 0.99 -1.56 2.25 3.38 -0.69 -2.12 115.31 117.57 1wdd h LEU 34 Ca 0.07 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1wdd h LEU 34 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1wdd h LEU 34 CO -0.15 1.19 -0.21 0.03 0.09 0.00 0.00 178.44 179.39 1wdd h ARG 35 N 0.81 0.02 0.00 1.13 3.08 -0.82 -0.87 114.38 117.73 1wdd h ARG 35 Ca 0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1wdd h ARG 35 Cb 0.84 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1wdd h ARG 35 CO 0.07 0.22 0.00 0.43 -1.07 0.00 0.00 179.97 179.63 1wdd n SER 36 N -4.29 0.00 -1.34 7.04 7.64 -0.65 -4.90 113.62 117.12 1wdd n SER 36 Ca -0.02 -0.36 -0.11 0.00 1.01 0.00 0.00 58.87 59.38 1wdd n SER 36 Cb 0.27 -0.19 -0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.19 -1.13 -3.31 1.43 4.76 -0.33 -5.03 118.16 113.35 1wdd n LYS 37 Ca 0.16 0.53 -0.23 0.00 -2.87 0.00 0.00 58.31 55.90 1wdd n LYS 37 Cb 0.18 -4.64 -0.01 0.00 -1.84 0.00 0.00 35.03 28.73 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 -2.60 3.42 -0.22 2.13 0.51 -0.82 -4.94 118.94 116.43 1wdd s TRP 38 Ca 0.02 0.29 -0.13 0.00 -2.12 0.00 0.00 56.10 54.17 1wdd s TRP 38 Cb -0.01 -1.98 -0.05 0.00 -0.81 0.00 0.00 33.47 30.62 1wdd s TRP 38 CO 0.03 0.02 0.25 0.08 -0.51 0.00 0.00 176.95 176.82 1wdd s VAL 39 N -2.36 5.30 0.40 4.03 1.01 -0.41 -4.53 120.40 123.85 1wdd s VAL 39 Ca 0.42 0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1wdd s VAL 39 Cb -0.10 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 1wdd s VAL 39 CO 0.36 0.32 0.87 -2.16 0.00 0.00 0.00 175.10 174.49 1wdd s PRO 40 N 1.07 4.08 -0.08 2.72 0.04 -1.26 -1.53 135.00 140.04 1wdd s PRO 40 Ca 0.12 0.89 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 1wdd s PRO 40 Cb -0.14 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1wdd s PRO 40 CO 0.05 -0.00 0.37 0.00 0.04 0.00 0.00 177.00 177.46 1wdd s LEU 42 N -0.60 3.78 0.03 0.00 1.02 -1.26 -0.52 118.68 121.12 1wdd s LEU 42 Ca -0.07 -0.02 -0.00 0.00 0.02 0.00 0.00 54.13 54.06 1wdd s LEU 42 Cb -0.04 -2.46 -0.03 0.00 0.02 0.00 0.00 46.19 43.68 1wdd s LEU 42 CO 0.03 0.17 -0.03 -1.61 0.02 0.00 0.00 176.35 174.93 1wdd s GLU 43 N -2.38 0.42 0.06 1.70 2.02 -0.61 -0.73 118.70 119.18 1wdd s GLU 43 Ca 0.29 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.39 1wdd s GLU 43 Cb -0.12 0.12 -0.00 0.00 0.10 0.00 0.00 34.13 34.23 1wdd s GLU 43 CO 0.22 -0.06 0.17 -0.59 0.02 0.00 0.00 175.26 175.01 1wdd s PHE 44 N -2.24 0.14 -0.18 1.61 -0.71 0.44 -0.57 117.98 116.47 1wdd s PHE 44 Ca -0.08 -0.47 -0.28 0.00 -1.04 0.00 0.00 56.93 55.05 1wdd s PHE 44 Cb -0.04 -0.07 0.08 0.00 -1.21 0.00 0.00 43.02 41.78 1wdd s PHE 44 CO -0.04 -0.47 0.78 0.45 -1.34 0.00 0.00 175.22 174.61 1wdd s SER 45 N -2.46 -0.63 0.00 1.98 0.15 -0.41 -1.09 113.70 111.24 1wdd s SER 45 Ca -0.00 0.97 0.27 0.00 0.70 0.00 0.00 55.95 57.89 1wdd s SER 45 Cb 0.02 0.90 0.97 0.00 -1.71 0.00 0.00 66.02 66.19 1wdd s SER 45 CO -0.07 -0.38 1.71 0.29 1.20 0.00 0.00 173.24 175.98 1wdd n LYS 46 N 1.72 0.47 -4.16 5.44 5.02 -1.26 -0.18 118.16 125.22 1wdd n LYS 46 Ca -0.15 -0.20 -0.34 0.00 -2.02 0.00 0.00 58.31 55.59 1wdd n LYS 46 Cb 0.56 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.94 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 -2.67 3.53 -0.95 -0.18 1.01 -1.26 -4.88 120.40 115.00 1wdd s VAL 47 Ca 0.22 -0.46 0.24 0.00 0.00 0.00 0.00 61.98 61.98 1wdd s VAL 47 Cb 0.19 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1wdd s VAL 47 CO 0.54 0.45 1.30 0.61 0.00 0.00 0.00 175.10 178.00 1wdd n GLY 48 N 4.29 -1.21 3.33 4.51 0.00 -1.26 -4.97 105.19 109.87 1wdd n GLY 48 Ca -0.18 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.02 1.58 0.70 1.61 0.08 -1.26 -5.03 117.98 112.64 1wdd s PHE 49 Ca 0.10 -1.01 -0.11 0.00 0.12 0.00 0.00 56.93 56.03 1wdd s PHE 49 Cb 0.17 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 1wdd s PHE 49 CO 0.74 -0.14 1.06 0.54 -0.10 0.00 0.00 175.22 177.32 1wdd s VAL 50 N -3.52 3.97 0.37 -0.44 0.11 -1.26 -4.72 120.40 114.90 1wdd s VAL 50 Ca 0.32 0.64 -0.11 0.00 -2.93 0.00 0.00 61.98 59.90 1wdd s VAL 50 Cb 0.07 -3.36 0.04 0.00 -1.53 0.00 0.00 36.38 31.59 1wdd s VAL 50 CO 0.11 -0.84 0.68 -0.72 -3.33 0.00 0.00 175.10 171.00 1wdd s TYR 51 N -3.04 0.47 -0.38 1.54 1.13 -0.55 -4.98 117.35 111.55 1wdd s TYR 51 Ca 0.58 -0.99 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 1wdd s TYR 51 Cb -0.14 0.50 0.15 0.00 -1.10 0.00 0.00 41.96 41.37 1wdd s TYR 51 CO 0.55 -1.42 0.26 1.03 -2.51 0.00 0.00 175.55 173.47 1wdd s ARG 52 N -2.56 0.73 -0.23 -3.49 0.52 -1.26 -0.31 118.95 112.35 1wdd s ARG 52 Ca 0.21 -1.68 -0.04 0.00 -0.52 0.00 0.00 55.73 53.71 1wdd s ARG 52 Cb -0.03 -1.41 -0.18 0.00 0.52 0.00 0.00 34.95 33.85 1wdd s ARG 52 CO 0.15 -1.28 -0.11 -1.91 0.02 0.00 0.00 175.30 172.18 1wdd n GLU 53 N 3.54 0.66 0.09 3.54 2.13 -1.26 -4.63 120.64 124.71 1wdd n GLU 53 Ca 0.19 0.21 0.11 0.00 0.66 0.00 0.00 57.16 58.34 1wdd n GLU 53 Cb 0.41 -1.57 0.01 0.00 0.27 0.00 0.00 31.44 30.56 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 -3.52 0.77 -3.51 4.31 4.13 -1.26 -4.98 115.26 111.20 1wdd n ASN 54 Ca -0.44 0.25 -0.10 0.00 1.68 0.00 0.00 54.58 55.96 1wdd n ASN 54 Cb 0.97 0.53 -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 -0.41 -0.08 3.10 2.46 -1.26 -5.05 115.29 110.72 1wdd s HIS 55 Ca 0.00 0.41 0.12 0.00 0.47 0.00 0.00 55.06 56.06 1wdd s HIS 55 Cb 0.11 0.51 0.22 0.00 -0.13 0.00 0.00 32.58 33.28 1wdd s HIS 55 CO 0.79 -0.55 1.11 0.54 -2.47 0.00 0.00 174.74 174.16 1wdd n ARG 56 N 0.07 0.68 -1.63 2.88 1.74 -1.26 -4.80 116.66 114.34 1wdd n ARG 56 Ca -0.11 -2.01 -0.31 0.00 -0.77 0.00 0.00 57.85 54.64 1wdd n ARG 56 Cb 0.61 -0.95 0.04 0.00 -1.02 0.00 0.00 32.46 31.14 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 -2.12 5.55 0.12 0.55 1.04 -1.26 -4.93 113.70 112.65 1wdd s SER 57 Ca 0.21 1.58 -0.35 0.00 0.48 0.00 0.00 55.95 57.87 1wdd s SER 57 Cb 0.20 -2.49 -0.15 0.00 0.10 0.00 0.00 66.02 63.68 1wdd s SER 57 CO -0.02 -1.33 1.48 -2.65 0.98 0.00 0.00 173.24 171.70 1wdd n PRO 58 N -3.05 1.68 -0.99 4.02 -0.02 -1.26 -1.52 135.00 133.86 1wdd n PRO 58 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1wdd n PRO 58 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.04 0.88 3.64 -1.23 0.00 -1.26 -5.01 105.19 105.24 1wdd n GLY 59 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.54 3.29 0.02 1.61 6.14 -0.58 -5.07 117.35 119.22 1wdd s TYR 60 Ca 0.00 0.20 -0.00 0.00 0.64 0.00 0.00 57.07 57.91 1wdd s TYR 60 Cb 0.00 -2.31 -0.02 0.00 0.42 0.00 0.00 41.96 40.04 1wdd s TYR 60 CO 0.00 -0.01 -0.02 0.71 0.64 0.00 0.00 175.55 176.86 1wdd s TYR 61 N 1.30 0.29 0.38 4.97 2.02 -1.26 -4.67 117.35 120.37 1wdd s TYR 61 Ca 0.08 -0.59 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 1wdd s TYR 61 Cb -0.14 -0.21 -0.01 0.00 -0.40 0.00 0.00 41.96 41.19 1wdd s TYR 61 CO 0.07 -0.22 0.57 -0.51 -1.57 0.00 0.00 175.55 173.89 1wdd s ASP 62 N -1.65 6.02 0.00 2.29 1.01 0.58 -4.52 116.67 120.40 1wdd s ASP 62 Ca -0.13 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.33 1wdd s ASP 62 Cb -0.08 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.24 1wdd s ASP 62 CO -0.02 -0.48 0.00 0.61 0.21 0.00 0.00 175.17 175.48 1wdd n GLY 63 N -1.85 0.74 0.14 0.21 0.00 -1.26 -1.48 105.19 101.69 1wdd n GLY 63 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 2.41 0.48 -6.64 1.61 3.08 -1.89 -3.39 114.38 110.05 1wdd h ARG 64 Ca 0.00 -0.78 -0.51 0.00 0.07 0.00 0.00 59.98 58.76 1wdd h ARG 64 Cb 0.00 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1wdd h ARG 64 CO 0.00 1.37 0.40 0.71 -1.07 0.00 0.00 179.97 181.38 1wdd s TYR 65 N -2.70 3.76 0.56 3.04 2.02 -1.26 -5.05 117.35 117.71 1wdd s TYR 65 Ca -0.08 1.75 0.05 0.00 -0.37 0.00 0.00 57.07 58.42 1wdd s TYR 65 Cb 0.05 -3.13 0.04 0.00 -0.40 0.00 0.00 41.96 38.53 1wdd s TYR 65 CO 0.93 -0.06 0.37 -1.58 -1.57 0.00 0.00 175.55 173.64 1wdd s TRP 66 N -0.31 1.51 0.01 2.71 0.52 -1.26 -5.08 118.94 117.04 1wdd s TRP 66 Ca 0.47 -0.90 -0.18 0.00 0.02 0.00 0.00 56.10 55.51 1wdd s TRP 66 Cb -0.26 -1.86 -0.06 0.00 -1.15 0.00 0.00 33.47 30.15 1wdd s TRP 66 CO 0.32 -0.46 0.52 0.99 0.02 0.00 0.00 176.95 178.34 1wdd s THR 67 N -2.82 4.91 0.12 2.01 2.01 -0.25 -4.83 115.64 116.79 1wdd s THR 67 Ca 0.29 1.08 -0.30 0.00 0.31 0.00 0.00 61.69 63.06 1wdd s THR 67 Cb -0.02 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 68.58 1wdd s THR 67 CO 0.18 0.51 1.21 -0.32 -0.69 0.00 0.00 174.62 175.51 1wdd s MET 68 N -0.70 4.45 -0.35 4.92 1.75 -1.26 -0.42 119.30 127.68 1wdd s MET 68 Ca 0.27 1.83 -0.22 0.00 -1.25 0.00 0.00 55.69 56.33 1wdd s MET 68 Cb -0.18 -3.30 0.00 0.00 2.84 0.00 0.00 34.83 34.20 1wdd s MET 68 CO 0.16 -0.20 0.70 -0.46 -0.65 0.00 0.00 175.02 174.57 1wdd s TRP 69 N 0.60 3.14 0.00 4.11 -0.11 0.09 -4.89 118.94 121.89 1wdd s TRP 69 Ca 0.57 0.46 0.00 0.00 1.22 0.00 0.00 56.10 58.35 1wdd s TRP 69 Cb -0.31 -3.23 0.00 0.00 -1.50 0.00 0.00 33.47 28.43 1wdd s TRP 69 CO 0.32 -0.65 0.00 1.63 -4.62 0.00 0.00 176.95 173.63 1wdd n LYS 70 N 6.17 0.00 -4.36 5.86 5.02 -1.26 -4.48 118.16 125.12 1wdd n LYS 70 Ca 0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 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 2.21 0.71 -0.35 1.43 -1.26 -5.08 118.68 116.33 1wdd s LEU 71 Ca 0.00 -1.24 -0.16 0.00 -1.03 0.00 0.00 54.13 51.70 1wdd s LEU 71 Cb 0.00 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.92 1wdd s LEU 71 CO 0.00 -0.51 1.22 -2.65 0.23 0.00 0.00 176.35 174.64 1wdd n PRO 72 N -0.48 0.72 -2.08 1.29 -0.02 -1.26 -4.81 135.00 128.36 1wdd n PRO 72 Ca -0.05 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 1wdd n PRO 72 Cb 0.64 -2.46 -0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1wdd n PRO 72 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1wdd n MET 73 N -2.35 4.04 -1.70 -0.52 2.81 0.51 -4.98 117.12 114.93 1wdd n MET 73 Ca 0.15 -3.37 -0.44 0.00 -1.81 0.00 0.00 57.70 52.23 1wdd n MET 73 Cb 0.49 -2.80 -0.02 0.00 -0.71 0.00 0.00 33.22 30.18 1wdd n MET 73 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1wdd n PHE 74 N 2.96 2.44 -0.95 2.03 3.72 -1.26 -1.96 117.46 124.45 1wdd n PHE 74 Ca 0.53 0.34 0.00 0.00 -0.05 0.00 0.00 57.45 58.27 1wdd n PHE 74 Cb 0.30 -2.53 0.00 0.00 -0.94 0.00 0.00 39.48 36.32 1wdd n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wdd n GLY 75 N 2.35 0.82 3.74 1.37 0.00 -1.26 -5.00 105.19 107.20 1wdd n GLY 75 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 2.80 0.23 -4.02 0.00 -2.24 -1.26 -5.01 114.28 104.78 1wdd n THR 77 Ca 0.10 -0.39 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 1wdd n THR 77 Cb 0.39 1.15 -0.16 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.23 3.44 0.51 3.42 2.15 -1.26 -5.00 116.67 119.70 1wdd s ASP 78 Ca 0.00 -0.89 0.15 0.00 0.43 0.00 0.00 52.55 52.24 1wdd s ASP 78 Cb 0.00 -1.29 1.24 0.00 -0.30 0.00 0.00 42.92 42.57 1wdd s ASP 78 CO 0.00 -0.13 2.14 0.00 -0.17 0.00 0.00 175.17 177.01 1wdd h ALA 79 N 7.95 1.98 0.00 3.66 0.00 -1.95 -1.46 119.26 129.45 1wdd h ALA 79 Ca -0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1wdd h ALA 79 Cb 1.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1wdd h ALA 79 CO 0.49 0.02 -0.21 1.79 0.00 0.00 0.00 179.25 181.34 1wdd h THR 80 N 0.03 0.63 -0.60 0.00 1.35 -1.96 -2.11 112.91 110.25 1wdd h THR 80 Ca 0.01 -0.94 -0.09 0.00 -0.55 0.00 0.00 66.41 64.83 1wdd h THR 80 Cb -0.00 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 1wdd h THR 80 CO -0.00 0.21 0.01 -0.61 -0.25 0.00 0.00 175.52 174.87 1wdd h GLN 81 N 0.00 1.05 -0.52 4.72 4.15 -1.69 0.82 115.11 123.64 1wdd h GLN 81 Ca -0.00 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.05 1wdd h GLN 81 Cb 0.60 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1wdd h GLN 81 CO 0.03 1.03 0.18 0.28 -1.93 0.00 0.00 178.83 178.42 1wdd h VAL 82 N 0.95 1.23 -0.73 2.39 2.07 -1.41 -2.02 116.25 118.72 1wdd h VAL 82 Ca 0.17 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1wdd h VAL 82 Cb 0.55 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1wdd h VAL 82 CO 0.03 0.27 0.42 -0.07 0.02 0.00 0.00 177.57 178.24 1wdd h LEU 83 N 0.71 0.89 -0.77 2.57 3.38 -1.03 -1.18 115.31 119.88 1wdd h LEU 83 Ca 0.17 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wdd h LEU 83 Cb 0.24 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1wdd h LEU 83 CO -0.01 0.70 0.47 0.50 0.09 0.00 0.00 178.44 180.19 1wdd h LYS 84 N 1.01 1.04 -0.52 1.13 1.63 -0.30 -0.85 116.57 119.70 1wdd h LYS 84 Ca 0.26 -0.09 -0.07 0.00 -0.85 0.00 0.00 60.65 59.89 1wdd h LYS 84 Cb -0.00 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.39 1wdd h LYS 84 CO -0.05 0.73 0.03 0.93 -3.45 0.00 0.00 179.45 177.65 1wdd h GLU 85 N 1.05 0.86 -0.90 1.90 4.39 -0.86 -0.65 114.58 120.38 1wdd h GLU 85 Ca 0.28 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1wdd h GLU 85 Cb -0.04 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 1wdd h GLU 85 CO -0.05 0.84 0.48 1.25 -1.16 0.00 0.00 179.01 180.38 1wdd h LEU 86 N 0.80 1.12 -0.66 1.33 5.85 -0.81 0.02 115.31 122.97 1wdd h LEU 86 Ca 0.16 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1wdd h LEU 86 Cb 0.45 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1wdd h LEU 86 CO 0.02 0.91 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.67 1wdd h GLU 87 N 1.26 1.02 -0.75 1.25 4.39 -0.34 -1.46 114.58 119.94 1wdd h GLU 87 Ca 0.31 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1wdd h GLU 87 Cb 0.04 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1wdd h GLU 87 CO -0.05 1.01 0.40 0.93 -1.16 0.00 0.00 179.01 180.14 1wdd h GLU 88 N 0.93 1.06 -0.51 2.33 4.39 -0.73 -2.00 114.58 120.05 1wdd h GLU 88 Ca 0.16 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1wdd h GLU 88 Cb 0.57 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1wdd h GLU 88 CO 0.03 0.80 0.18 0.00 -1.16 0.00 0.00 179.01 178.86 1wdd h ALA 89 N 1.20 0.67 -0.68 3.43 0.00 -0.69 -1.01 119.26 122.18 1wdd h ALA 89 Ca 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1wdd h ALA 89 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1wdd h ALA 89 CO -0.04 0.30 0.30 0.87 0.00 0.00 0.00 179.25 180.68 1wdd h LYS 90 N 0.69 0.98 -0.51 0.00 1.57 -1.17 0.16 116.57 118.29 1wdd h LYS 90 Ca 0.17 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1wdd h LYS 90 Cb 0.24 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1wdd h LYS 90 CO -0.01 0.78 -0.01 0.87 -0.57 0.00 0.00 179.45 180.50 1wdd h LYS 91 N 0.97 0.91 -0.13 3.15 6.56 -1.08 -0.63 116.57 126.32 1wdd h LYS 91 Ca 0.23 -0.30 -0.20 0.00 -1.06 0.00 0.00 60.65 59.32 1wdd h LYS 91 Cb 0.14 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.72 1wdd h LYS 91 CO -0.03 0.94 -0.73 0.00 -2.06 0.00 0.00 179.45 177.57 1wdd h ALA 92 N 0.94 0.46 -2.07 3.86 0.00 -0.81 -3.38 119.26 118.25 1wdd h ALA 92 Ca 0.14 -0.59 -0.57 0.00 0.00 0.00 0.00 54.91 53.89 1wdd h ALA 92 Cb 0.54 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.89 1wdd h ALA 92 CO 0.03 0.72 -0.94 0.66 0.00 0.00 0.00 179.25 179.72 1wdd n TYR 93 N -3.90 1.11 0.27 0.00 4.01 0.52 -4.93 117.16 114.24 1wdd n TYR 93 Ca -0.06 -3.79 0.16 0.00 -0.16 0.00 0.00 57.90 54.05 1wdd n TYR 93 Cb 0.72 -0.43 0.77 0.00 -0.31 0.00 0.00 39.34 40.09 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 3.91 0.00 -0.64 -0.72 0.13 -1.30 -1.63 132.00 131.75 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 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1wdd h PRO 94 CO 0.60 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.97 1wdd n ASP 95 N -2.61 4.67 -4.54 1.44 5.75 -1.26 -4.43 116.55 115.57 1wdd n ASP 95 Ca -0.01 -2.52 -0.27 0.00 -0.01 0.00 0.00 54.79 51.98 1wdd n ASP 95 Cb 0.11 -0.59 -0.10 0.00 -1.03 0.00 0.00 41.12 39.52 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 -2.01 2.87 0.36 2.12 0.00 -0.61 -4.73 121.76 119.75 1wdd s ALA 96 Ca 0.48 -1.47 -0.24 0.00 0.00 0.00 0.00 51.96 50.73 1wdd s ALA 96 Cb 0.32 -0.69 -0.10 0.00 0.00 0.00 0.00 23.12 22.65 1wdd s ALA 96 CO 0.21 0.49 0.94 -0.06 0.00 0.00 0.00 175.76 177.34 1wdd s PHE 97 N -1.61 3.56 -0.06 0.00 0.40 0.75 -4.07 117.98 116.95 1wdd s PHE 97 Ca 0.23 1.72 0.02 0.00 -0.60 0.00 0.00 56.93 58.30 1wdd s PHE 97 Cb -0.09 -2.89 0.02 0.00 0.51 0.00 0.00 43.02 40.56 1wdd s PHE 97 CO 0.14 0.10 -0.10 0.08 0.70 0.00 0.00 175.22 176.14 1wdd s VAL 98 N -1.82 0.95 0.19 -0.44 1.01 -0.45 -1.28 120.40 118.56 1wdd s VAL 98 Ca 0.54 -0.36 0.11 0.00 0.00 0.00 0.00 61.98 62.27 1wdd s VAL 98 Cb -0.15 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1wdd s VAL 98 CO 0.20 0.32 -0.23 0.00 0.00 0.00 0.00 175.10 175.39 1wdd s ARG 99 N 0.80 1.47 -0.12 2.72 1.70 0.26 0.22 118.95 126.01 1wdd s ARG 99 Ca -0.12 -1.51 -0.01 0.00 -0.47 0.00 0.00 55.73 53.62 1wdd s ARG 99 Cb -0.15 -1.74 -0.02 0.00 -0.57 0.00 0.00 34.95 32.47 1wdd s ARG 99 CO 0.02 0.37 -0.08 0.42 -1.08 0.00 0.00 175.30 174.95 1wdd s ILE 100 N -1.77 3.54 0.30 4.99 1.01 -0.26 -1.57 121.20 127.44 1wdd s ILE 100 Ca 0.20 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.42 1wdd s ILE 100 Cb -0.07 -2.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.84 1wdd s ILE 100 CO 0.09 0.54 -0.07 0.27 0.00 0.00 0.00 174.94 175.77 1wdd s ILE 101 N -0.01 1.82 -0.05 2.92 -5.25 0.32 -1.54 121.20 119.41 1wdd s ILE 101 Ca -0.01 -2.15 -0.02 0.00 -0.99 0.00 0.00 60.65 57.48 1wdd s ILE 101 Cb -0.14 -2.50 0.04 0.00 2.95 0.00 0.00 42.46 42.80 1wdd s ILE 101 CO 0.03 -0.27 0.11 -0.83 -1.79 0.00 0.00 174.94 172.19 1wdd s GLY 102 N -3.49 0.02 0.14 6.27 0.00 -0.65 -0.92 107.32 108.68 1wdd s GLY 102 Ca 0.30 0.55 0.06 0.00 0.00 0.00 0.00 44.72 45.63 1wdd s GLY 102 CO 0.13 0.91 -0.13 -0.11 0.00 0.00 0.00 173.10 173.90 1wdd s PHE 103 N 1.17 1.39 -0.28 1.90 -0.12 -0.58 -0.13 117.98 121.33 1wdd s PHE 103 Ca -0.09 -0.61 -0.06 0.00 -0.05 0.00 0.00 56.93 56.12 1wdd s PHE 103 Cb -0.12 -0.71 0.00 0.00 -0.63 0.00 0.00 43.02 41.56 1wdd s PHE 103 CO -0.05 0.15 0.05 0.34 -0.05 0.00 0.00 175.22 175.66 1wdd s ASP 104 N -2.74 4.95 0.14 1.98 2.15 -0.90 -1.29 116.67 120.97 1wdd s ASP 104 Ca 0.12 -0.64 0.24 0.00 0.43 0.00 0.00 52.55 52.71 1wdd s ASP 104 Cb -0.02 -1.85 0.91 0.00 -0.30 0.00 0.00 42.92 41.66 1wdd s ASP 104 CO 0.03 -0.15 1.73 -0.46 -0.17 0.00 0.00 175.17 176.15 1wdd n ASN 105 N 4.84 0.46 -0.02 -0.34 6.94 -1.26 -0.47 115.26 125.41 1wdd n ASN 105 Ca -0.15 0.57 -0.17 0.00 -0.02 0.00 0.00 54.58 54.81 1wdd n ASN 105 Cb 0.49 -0.69 -0.14 0.00 -2.36 0.00 0.00 39.78 37.08 1wdd n ASN 105 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 1wdd h VAL 106 N 0.00 1.56 0.00 3.53 -1.51 -1.96 -3.26 116.25 114.61 1wdd h VAL 106 Ca 0.00 -2.41 0.00 0.00 -1.23 0.00 0.00 66.70 63.06 1wdd h VAL 106 Cb 0.49 3.18 0.00 0.00 -2.13 0.00 0.00 31.29 32.83 1wdd h VAL 106 CO 0.00 0.63 -0.10 0.03 -1.23 0.00 0.00 177.57 176.90 1wdd h ARG 107 N -0.71 0.00 -6.01 5.19 3.08 -2.01 -3.48 114.38 110.44 1wdd h ARG 107 Ca -0.11 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.66 1wdd h ARG 107 Cb 1.33 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.42 1wdd h ARG 107 CO 0.04 0.00 -0.66 0.94 -1.07 0.00 0.00 179.97 179.23 1wdd n GLN 108 N -2.38 -1.40 -3.61 0.04 7.27 0.38 -5.04 117.38 112.64 1wdd n GLN 108 Ca 0.05 0.91 -0.16 0.00 0.07 0.00 0.00 57.00 57.87 1wdd n GLN 108 Cb 0.45 -4.33 -0.07 0.00 2.41 0.00 0.00 30.24 28.70 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 -3.18 0.02 0.06 1.69 0.11 -1.01 -5.02 120.40 113.07 1wdd s VAL 109 Ca 0.20 -0.19 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 1wdd s VAL 109 Cb -0.06 -0.86 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 1wdd s VAL 109 CO 0.82 -0.11 1.21 -1.10 -3.33 0.00 0.00 175.10 172.59 1wdd s GLN 110 N -1.37 4.42 0.00 1.54 -0.21 -1.26 -2.13 119.66 120.66 1wdd s GLN 110 Ca -0.11 1.77 0.19 0.00 0.02 0.00 0.00 55.36 57.23 1wdd s GLN 110 Cb -0.02 -3.36 -0.01 0.00 1.00 0.00 0.00 33.01 30.63 1wdd s GLN 110 CO 0.07 -0.27 0.96 1.28 -2.12 0.00 0.00 175.29 175.21 1wdd n LEU 111 N 4.00 1.82 -3.56 2.90 4.77 0.81 -4.96 117.00 122.78 1wdd n LEU 111 Ca 0.09 -0.77 -0.16 0.00 -0.03 0.00 0.00 56.01 55.15 1wdd n LEU 111 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1wdd n LEU 111 CO 0.56 0.34 0.50 -0.51 -1.33 0.00 0.00 177.39 176.95 1wdd s ILE 112 N -2.15 0.00 -0.30 -0.08 2.07 -1.19 -4.99 121.20 114.56 1wdd s ILE 112 Ca 0.16 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.28 1wdd s ILE 112 Cb 0.15 -1.00 0.15 0.00 0.13 0.00 0.00 42.46 41.89 1wdd s ILE 112 CO 0.48 0.00 0.82 -0.55 -1.91 0.00 0.00 174.94 173.78 1wdd s SER 113 N -0.77 -0.87 0.01 4.50 0.15 -1.26 -1.64 113.70 113.83 1wdd s SER 113 Ca -0.07 1.15 -0.10 0.00 0.70 0.00 0.00 55.95 57.63 1wdd s SER 113 Cb -0.01 1.97 0.01 0.00 -1.71 0.00 0.00 66.02 66.27 1wdd s SER 113 CO 0.06 -0.17 0.20 0.72 1.20 0.00 0.00 173.24 175.26 1wdd s PHE 114 N 2.68 -0.01 0.12 3.44 -0.71 -0.59 -4.21 117.98 118.71 1wdd s PHE 114 Ca -0.03 -0.09 -0.31 0.00 -1.04 0.00 0.00 56.93 55.47 1wdd s PHE 114 Cb -0.09 -0.00 -0.07 0.00 -1.21 0.00 0.00 43.02 41.64 1wdd s PHE 114 CO -0.18 -0.37 1.28 -1.50 -1.34 0.00 0.00 175.22 173.11 1wdd s ILE 115 N -1.82 3.58 -0.19 -4.49 1.10 -1.26 -1.10 121.20 117.03 1wdd s ILE 115 Ca -0.11 1.19 0.09 0.00 -0.51 0.00 0.00 60.65 61.31 1wdd s ILE 115 Cb -0.05 -3.76 -0.12 0.00 0.15 0.00 0.00 42.46 38.68 1wdd s ILE 115 CO 0.00 0.12 0.28 0.00 -2.11 0.00 0.00 174.94 173.23 1wdd n ALA 116 N 3.49 2.70 -3.60 1.50 0.00 0.13 -4.88 120.51 119.84 1wdd n ALA 116 Ca 0.09 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1wdd n ALA 116 Cb 0.44 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.29 -0.81 -0.05 0.00 5.04 -0.88 -4.98 117.35 113.39 1wdd s TYR 117 Ca -0.00 1.75 0.07 0.00 -2.44 0.00 0.00 57.07 56.45 1wdd s TYR 117 Cb 0.06 0.39 -0.01 0.00 0.35 0.00 0.00 41.96 42.75 1wdd s TYR 117 CO 0.37 -0.41 -0.25 0.15 -1.34 0.00 0.00 175.55 174.08 1wdd s LYS 118 N 1.05 2.44 0.66 4.97 1.02 -1.26 -1.34 119.74 127.27 1wdd s LYS 118 Ca -0.06 -0.91 -0.15 0.00 0.02 0.00 0.00 55.97 54.87 1wdd s LYS 118 Cb -0.05 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1wdd s LYS 118 CO -0.10 0.43 1.11 -1.25 -0.92 0.00 0.00 175.35 174.62 1wdd s PRO 119 N -0.28 2.79 0.28 -1.68 0.04 -1.26 -4.92 135.00 129.98 1wdd s PRO 119 Ca -0.00 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 1wdd s PRO 119 Cb -0.13 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 1wdd s PRO 119 CO 0.03 -1.26 1.18 -2.14 0.04 0.00 0.00 177.00 174.85 1wdd s PRO 120 N -4.12 4.53 0.00 0.56 0.01 -1.26 -1.89 135.00 132.83 1wdd s PRO 120 Ca 0.67 1.95 0.00 0.00 0.01 0.00 0.00 61.00 63.63 1wdd s PRO 120 Cb -0.20 -3.16 0.00 0.00 0.01 0.00 0.00 34.50 31.15 1wdd s PRO 120 CO 0.42 0.04 0.00 0.41 0.01 0.00 0.00 177.00 177.87 1wdd n GLY 121 N 1.22 1.08 0.00 0.52 0.00 -1.26 -5.09 105.19 101.66 1wdd n GLY 121 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1wdd n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32