#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1okd h GLY 3 N 0.00 0.60 0.40 0.23 0.00 -1.82 -2.83 103.07 99.65 1okd h GLY 3 Ca 0.00 -0.57 0.17 0.00 0.00 0.00 0.00 47.33 46.93 1okd h GLY 3 CO 0.00 0.52 0.63 1.41 0.00 0.00 0.00 176.54 179.10 1okd h LEU 4 N 0.46 0.00 -1.93 3.11 3.38 -1.83 0.46 115.31 118.96 1okd h LEU 4 Ca 0.05 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1okd h LEU 4 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1okd h LEU 4 CO 0.07 0.00 0.28 0.44 0.09 0.00 0.00 178.44 179.32 1okd h ASP 5 N 0.00 0.07 -0.36 -0.43 5.19 -1.88 -0.00 116.42 119.00 1okd h ASP 5 Ca 0.28 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.80 1okd h ASP 5 Cb 1.55 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 41.03 1okd h ASP 5 CO -0.00 0.04 0.42 0.07 -3.12 0.00 0.00 179.24 176.65 1okd h LYS 6 N 0.08 0.00 0.03 3.56 5.09 -0.28 -2.75 116.57 122.30 1okd h LYS 6 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.93 1okd h LYS 6 Cb 0.65 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.97 1okd h LYS 6 CO -0.02 0.00 -0.06 -0.92 -2.09 0.00 0.00 179.45 176.37 1okd h TYR 7 N 0.00 -0.16 -0.37 0.07 3.20 -1.17 -3.45 116.97 115.08 1okd h TYR 7 Ca 0.17 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.17 1okd h TYR 7 Cb 1.02 0.07 -0.18 0.00 1.54 0.00 0.00 36.73 39.17 1okd h TYR 7 CO 0.00 -0.07 -0.14 -1.17 -1.64 0.00 0.00 178.16 175.14 1okd s LEU 8 N -5.33 -0.58 -0.24 2.82 2.96 -1.04 -4.67 118.68 112.60 1okd s LEU 8 Ca -0.02 -0.17 -0.31 0.00 -0.22 0.00 0.00 54.13 53.41 1okd s LEU 8 Cb 0.01 0.95 -0.08 0.00 0.50 0.00 0.00 46.19 47.57 1okd s LEU 8 CO 0.07 -0.08 2.17 -2.65 -1.32 0.00 0.00 176.35 174.54 1okd n PRO 9 N 4.28 1.74 0.00 0.98 -0.02 -1.23 -2.94 135.00 137.81 1okd n PRO 9 Ca 0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1okd n PRO 9 Cb 0.60 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1okd n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1okd n GLY 10 N 5.85 2.56 3.57 -1.23 0.00 -1.26 -5.06 105.19 109.62 1okd n GLY 10 Ca 0.32 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1okd n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1okd s ILE 11 N 0.00 3.40 -0.43 -0.61 1.01 -1.15 -4.69 121.20 118.74 1okd s ILE 11 Ca 0.00 -0.53 0.23 0.00 0.00 0.00 0.00 60.65 60.35 1okd s ILE 11 Cb 0.00 -4.15 0.20 0.00 0.01 0.00 0.00 42.46 38.53 1okd s ILE 11 CO 0.00 -0.77 1.42 -0.33 0.00 0.00 0.00 174.94 175.26 1okd h GLU 12 N 10.81 0.00 -5.21 2.79 5.08 -1.97 -3.47 114.58 122.60 1okd h GLU 12 Ca 0.13 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.09 1okd h GLU 12 Cb 0.98 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.08 1okd h GLU 12 CO 1.17 0.00 -0.68 0.15 -1.00 0.00 0.00 179.01 178.65 1okd s LYS 13 N -3.24 1.31 0.35 2.33 1.02 -1.26 -1.25 119.74 119.00 1okd s LYS 13 Ca 0.05 -1.63 0.09 0.00 0.02 0.00 0.00 55.97 54.49 1okd s LYS 13 Cb 0.08 -0.78 -0.06 0.00 -0.52 0.00 0.00 37.83 36.56 1okd s LYS 13 CO 0.70 -0.00 0.01 -0.51 -0.92 0.00 0.00 175.35 174.63 1okd s LEU 14 N -3.30 2.95 0.00 3.17 1.43 -0.81 -4.89 118.68 117.24 1okd s LEU 14 Ca 0.25 -1.04 0.19 0.00 -1.03 0.00 0.00 54.13 52.50 1okd s LEU 14 Cb 0.04 -1.29 0.90 0.00 0.03 0.00 0.00 46.19 45.87 1okd s LEU 14 CO 0.07 -0.26 1.61 -1.14 0.23 0.00 0.00 176.35 176.86 1okd n ARG 15 N -0.95 0.14 -2.63 1.70 0.63 0.30 -3.64 116.66 112.21 1okd n ARG 15 Ca -0.04 0.14 -0.07 0.00 -0.92 0.00 0.00 57.85 56.96 1okd n ARG 15 Cb 0.63 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 32.02 1okd n ARG 15 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1okd n ARG 16 N -1.39 -0.98 0.00 -0.14 0.00 -1.17 -4.30 116.66 108.69 1okd n ARG 16 Ca 0.07 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1okd n ARG 16 Cb 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 32.46 31.89 1okd n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1okd n GLY 17 N -1.11 2.42 0.44 5.14 0.00 -1.25 -1.76 105.19 109.08 1okd n GLY 17 Ca -0.04 0.38 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 1okd n GLY 17 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1okd h ASP 18 N 0.00 -1.44 -0.24 1.61 2.03 -1.80 -3.45 116.42 113.13 1okd h ASP 18 Ca 0.00 0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1okd h ASP 18 Cb 0.00 0.55 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 1okd h ASP 18 CO 0.00 -0.51 0.00 0.61 -1.03 0.00 0.00 179.24 178.31 1okd n GLY 19 N -1.47 3.12 3.05 7.15 0.00 -0.72 -5.16 105.19 111.17 1okd n GLY 19 Ca -0.07 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 1okd n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1okd s GLU 20 N 3.17 0.43 0.11 1.61 8.01 -1.26 -3.03 118.70 127.74 1okd s GLU 20 Ca 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 54.97 54.33 1okd s GLU 20 Cb 0.00 0.16 -0.03 0.00 -4.31 0.00 0.00 34.13 29.96 1okd s GLU 20 CO 0.00 -0.09 0.10 0.14 0.01 0.00 0.00 175.26 175.42 1okd s VAL 21 N -1.80 0.13 0.61 2.63 -7.23 -1.24 -4.93 120.40 108.57 1okd s VAL 21 Ca -0.12 -1.67 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 1okd s VAL 21 Cb -0.07 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 1okd s VAL 21 CO -0.01 -0.60 1.11 -1.83 -0.31 0.00 0.00 175.10 173.46 1okd s GLU 22 N -3.97 3.06 0.32 4.82 1.03 -1.26 -1.92 118.70 120.78 1okd s GLU 22 Ca 0.15 1.47 0.15 0.00 0.03 0.00 0.00 54.97 56.77 1okd s GLU 22 Cb 0.06 -1.98 0.47 0.00 -0.80 0.00 0.00 34.13 31.89 1okd s GLU 22 CO -0.04 -1.06 1.64 0.28 -1.33 0.00 0.00 175.26 174.76 1okd h VAL 23 N 0.52 1.09 -0.64 1.83 2.07 -1.52 -3.12 116.25 116.49 1okd h VAL 23 Ca -0.48 -1.88 0.19 0.00 0.82 0.00 0.00 66.70 65.35 1okd h VAL 23 Cb 1.25 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1okd h VAL 23 CO 0.55 0.48 0.59 0.50 0.02 0.00 0.00 177.57 179.72 1okd h LYS 24 N 0.00 0.00 0.00 1.57 3.64 -1.93 0.44 116.57 120.30 1okd h LYS 24 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1okd h LYS 24 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1okd h LYS 24 CO 0.06 0.00 0.00 1.03 -2.27 0.00 0.00 179.45 178.27 1okd h SER 25 N 0.00 0.00 -1.68 4.20 0.87 -1.94 -1.98 113.55 113.01 1okd h SER 25 Ca 0.30 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 60.23 1okd h SER 25 Cb 1.48 0.00 -0.38 0.00 -0.44 0.00 0.00 62.40 63.06 1okd h SER 25 CO -0.00 0.00 -0.25 0.18 -0.53 0.00 0.00 176.83 176.23 1okd n LEU 26 N -2.65 5.45 -4.23 2.23 4.77 0.16 -4.94 117.00 117.79 1okd n LEU 26 Ca -0.02 -5.15 -0.43 0.00 -0.03 0.00 0.00 56.01 50.39 1okd n LEU 26 Cb 0.06 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.47 1okd n LEU 26 CO 0.15 2.12 0.27 0.00 -1.33 0.00 0.00 177.39 178.60 1okd s ALA 27 N -3.69 3.89 0.00 -1.18 0.00 -0.75 -4.48 121.76 115.56 1okd s ALA 27 Ca 0.49 -3.32 0.00 0.00 0.00 0.00 0.00 51.96 49.13 1okd s ALA 27 Cb 0.40 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1okd s ALA 27 CO -0.24 -2.21 0.00 0.41 0.00 0.00 0.00 175.76 173.71 1okd n GLY 28 N 3.74 0.58 3.18 0.00 0.00 -1.26 -4.96 105.19 106.46 1okd n GLY 28 Ca 0.12 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1okd n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1okd s LYS 29 N -0.06 0.81 -0.90 1.61 -2.85 -1.26 -4.86 119.74 112.22 1okd s LYS 29 Ca 0.00 -1.10 -0.25 0.00 -1.00 0.00 0.00 55.97 53.63 1okd s LYS 29 Cb 0.00 0.30 0.03 0.00 -2.06 0.00 0.00 37.83 36.09 1okd s LYS 29 CO 0.00 -0.23 1.49 -1.17 0.10 0.00 0.00 175.35 175.53 1okd s LEU 30 N -2.90 3.35 -0.26 2.77 2.96 -1.26 -2.21 118.68 121.13 1okd s LEU 30 Ca 0.08 -0.96 -0.20 0.00 -0.22 0.00 0.00 54.13 52.83 1okd s LEU 30 Cb 0.06 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 1okd s LEU 30 CO -0.09 -1.80 0.60 -0.69 -1.32 0.00 0.00 176.35 173.05 1okd s VAL 31 N 6.06 5.01 0.28 1.68 1.01 0.67 -3.55 120.40 131.54 1okd s VAL 31 Ca 0.47 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1okd s VAL 31 Cb -0.04 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1okd s VAL 31 CO 0.00 0.04 0.44 -0.36 0.00 0.00 0.00 175.10 175.23 1okd s PHE 32 N 2.44 3.48 -0.25 5.22 0.40 -1.05 -1.43 117.98 126.79 1okd s PHE 32 Ca 0.25 0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.75 1okd s PHE 32 Cb -0.16 -1.75 0.12 0.00 0.51 0.00 0.00 43.02 41.75 1okd s PHE 32 CO 0.09 0.30 0.32 -0.06 0.70 0.00 0.00 175.22 176.56 1okd s PHE 33 N -2.10 -0.60 -0.14 0.36 0.40 1.15 -0.66 117.98 116.40 1okd s PHE 33 Ca 0.37 0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 56.95 1okd s PHE 33 Cb -0.10 -0.22 -0.05 0.00 0.51 0.00 0.00 43.02 43.17 1okd s PHE 33 CO 0.32 -0.75 0.27 1.52 0.70 0.00 0.00 175.22 177.27 1okd s TYR 34 N 2.44 3.51 -0.18 0.36 -0.85 0.34 -2.10 117.35 120.86 1okd s TYR 34 Ca 0.10 0.60 -0.08 0.00 -0.52 0.00 0.00 57.07 57.17 1okd s TYR 34 Cb -0.15 -2.26 -0.04 0.00 0.38 0.00 0.00 41.96 39.89 1okd s TYR 34 CO -0.20 0.36 0.08 -0.06 -1.52 0.00 0.00 175.55 174.21 1okd s PHE 35 N 0.07 3.32 0.03 -3.49 0.08 0.09 -2.45 117.98 115.63 1okd s PHE 35 Ca 0.16 0.18 -0.27 0.00 0.12 0.00 0.00 56.93 57.12 1okd s PHE 35 Cb -0.13 -2.08 0.09 0.00 -0.57 0.00 0.00 43.02 40.33 1okd s PHE 35 CO 0.04 0.25 1.23 -1.54 -0.10 0.00 0.00 175.22 175.09 1okd s SER 36 N 0.22 -0.00 -0.00 1.36 1.04 -1.09 -0.94 113.70 114.29 1okd s SER 36 Ca 0.06 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 1okd s SER 36 Cb -0.12 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.23 1okd s SER 36 CO -0.00 -0.46 0.06 0.00 0.98 0.00 0.00 173.24 173.82 1okd s ALA 37 N -2.09 -0.12 0.62 5.32 0.00 -1.26 0.10 121.76 124.34 1okd s ALA 37 Ca 0.26 -0.15 0.27 0.00 0.00 0.00 0.00 51.96 52.34 1okd s ALA 37 Cb -0.01 0.03 1.39 0.00 0.00 0.00 0.00 23.12 24.54 1okd s ALA 37 CO 0.00 -0.12 1.80 0.66 0.00 0.00 0.00 175.76 178.10 1okd h SER 38 N 5.10 0.00 0.44 0.00 4.64 -1.92 0.69 113.55 122.51 1okd h SER 38 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1okd h SER 38 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1okd h SER 38 CO 0.43 0.00 -0.16 0.79 -0.87 0.00 0.00 176.83 177.02 1okd n TRP 39 N -3.28 0.00 -1.73 4.77 7.02 -1.26 -4.89 117.44 118.07 1okd n TRP 39 Ca 0.05 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.11 1okd n TRP 39 Cb 0.64 -0.22 -0.03 0.00 -2.42 0.00 0.00 31.31 29.28 1okd n TRP 39 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1okd h PRO 41 N 7.05 0.42 -0.12 0.00 0.11 -1.90 -2.04 132.00 135.52 1okd h PRO 41 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1okd h PRO 41 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1okd h PRO 41 CO 0.96 0.28 0.00 -0.35 -0.21 0.00 0.00 178.00 178.67 1okd n PRO 42 N -4.93 0.94 0.24 1.05 -0.04 -1.26 -4.01 135.00 126.99 1okd n PRO 42 Ca 0.04 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.68 1okd n PRO 42 Cb 0.16 -1.06 0.87 0.00 -0.04 0.00 0.00 33.50 33.43 1okd n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1okd h ARG 44 N 0.00 0.00 -0.67 0.00 2.47 -1.83 -3.20 114.38 111.16 1okd h ARG 44 Ca 0.07 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.61 1okd h ARG 44 Cb 0.54 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.75 1okd h ARG 44 CO -0.00 0.58 0.21 0.41 0.56 0.00 0.00 179.97 181.73 1okd n GLY 45 N 0.92 3.72 3.15 0.04 0.00 0.97 -4.79 105.19 109.20 1okd n GLY 45 Ca 0.01 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.06 1okd n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1okd s PHE 46 N -2.98 -1.34 0.11 1.61 2.19 -1.09 -5.03 117.98 111.45 1okd s PHE 46 Ca 0.54 0.89 0.00 0.00 0.33 0.00 0.00 56.93 58.68 1okd s PHE 46 Cb 0.43 0.27 0.00 0.00 -1.31 0.00 0.00 43.02 42.41 1okd s PHE 46 CO 0.13 -0.78 0.00 0.25 1.83 0.00 0.00 175.22 176.65 1okd n THR 47 N 5.33 0.00 1.92 0.12 -2.24 -1.26 -4.73 114.28 113.42 1okd n THR 47 Ca 0.05 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.87 1okd n THR 47 Cb 0.55 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.99 1okd n THR 47 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1okd n PRO 48 N -3.10 1.07 0.08 -0.78 -0.04 -1.26 -3.61 135.00 127.36 1okd n PRO 48 Ca 0.00 -0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.22 1okd n PRO 48 Cb 0.00 -1.13 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 1okd n PRO 48 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1okd h GLN 49 N 0.18 0.35 -0.02 0.54 1.08 -1.96 -3.20 115.11 112.08 1okd h GLN 49 Ca 0.00 -0.44 -0.01 0.00 -1.45 0.00 0.00 58.65 56.75 1okd h GLN 49 Cb 0.04 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1okd h GLN 49 CO 0.00 1.13 -0.04 1.25 -0.95 0.00 0.00 178.83 180.22 1okd h LEU 50 N 0.17 0.07 -0.55 1.46 7.12 -1.92 -2.65 115.31 119.01 1okd h LEU 50 Ca -0.10 -0.56 0.11 0.00 0.13 0.00 0.00 57.88 57.46 1okd h LEU 50 Cb 1.70 -0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 41.72 1okd h LEU 50 CO 0.18 0.62 0.05 0.40 -0.13 0.00 0.00 178.44 179.55 1okd h ILE 51 N -0.47 0.61 0.07 4.05 5.03 -1.75 0.71 117.51 125.77 1okd h ILE 51 Ca 0.00 -0.06 -0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1okd h ILE 51 Cb 0.60 0.42 0.00 0.00 -3.03 0.00 0.00 36.82 34.82 1okd h ILE 51 CO 0.01 0.03 -0.03 1.05 -0.68 0.00 0.00 178.15 178.53 1okd h GLU 52 N 0.17 -0.09 -0.00 2.37 4.11 -1.63 0.78 114.58 120.29 1okd h GLU 52 Ca 0.28 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1okd h GLU 52 Cb 0.43 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1okd h GLU 52 CO -0.42 0.24 0.00 0.35 0.07 0.00 0.00 179.01 179.25 1okd h PHE 53 N -0.43 0.00 0.00 2.06 3.57 -1.07 0.66 116.94 121.73 1okd h PHE 53 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1okd h PHE 53 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1okd h PHE 53 CO 0.04 0.00 -0.28 -0.92 -2.23 0.00 0.00 178.31 174.92 1okd h TYR 54 N 0.00 0.00 -0.25 0.41 5.03 0.62 -2.90 116.97 119.88 1okd h TYR 54 Ca 0.00 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.39 1okd h TYR 54 Cb 0.01 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1okd h TYR 54 CO 0.00 0.00 0.26 0.22 -1.32 0.00 0.00 178.16 177.32 1okd h ASP 55 N -0.89 0.00 0.55 -2.11 3.58 0.58 1.91 116.42 120.05 1okd h ASP 55 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1okd h ASP 55 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1okd h ASP 55 CO 0.00 0.00 -1.36 0.29 -2.88 0.00 0.00 179.24 175.29 1okd n LYS 56 N -3.88 0.58 0.00 0.28 4.76 0.22 -4.60 118.16 115.52 1okd n LYS 56 Ca 0.03 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1okd n LYS 56 Cb 0.40 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 1okd n LYS 56 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1okd n PHE 57 N -2.42 0.00 -0.23 2.13 3.72 -0.66 -4.79 117.46 115.20 1okd n PHE 57 Ca -0.01 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1okd n PHE 57 Cb 0.54 -0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.20 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 1okd h HIS 58 N 0.00 0.63 0.01 1.38 2.07 0.28 -1.77 115.15 117.75 1okd h HIS 58 Ca 0.00 0.03 -0.22 0.00 -2.85 0.00 0.00 60.37 57.33 1okd h HIS 58 Cb 0.63 -0.18 -0.03 0.00 2.57 0.00 0.00 27.41 30.41 1okd h HIS 58 CO 0.00 0.25 -1.02 0.93 -3.07 0.00 0.00 177.93 175.02 1okd h GLU 59 N 0.61 0.03 0.00 5.12 5.08 -1.88 -1.56 114.58 121.98 1okd h GLU 59 Ca 0.33 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1okd h GLU 59 Cb 0.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1okd h GLU 59 CO -0.24 1.02 0.00 0.45 -1.00 0.00 0.00 179.01 179.24 1okd n SER 60 N -3.37 0.00 -0.23 1.42 2.88 -0.74 -3.38 113.62 110.20 1okd n SER 60 Ca -0.01 0.76 0.09 0.00 -1.33 0.00 0.00 58.87 58.39 1okd n SER 60 Cb 0.95 -0.26 0.46 0.00 -0.75 0.00 0.00 64.21 64.61 1okd n SER 60 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1okd n LYS 61 N -1.32 1.31 -3.22 -1.46 2.85 -0.78 -4.96 118.16 110.57 1okd n LYS 61 Ca 0.00 -0.46 -0.24 0.00 -1.05 0.00 0.00 58.31 56.56 1okd n LYS 61 Cb 0.00 -1.32 0.02 0.00 -0.65 0.00 0.00 35.03 33.08 1okd n LYS 61 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1okd n ASN 62 N -0.31 -6.61 -4.18 -5.58 5.15 -0.66 -4.93 115.26 98.13 1okd n ASN 62 Ca 0.14 0.11 -0.13 0.00 -0.60 0.00 0.00 54.58 54.11 1okd n ASN 62 Cb 0.17 -3.39 -0.10 0.00 -0.53 0.00 0.00 39.78 35.93 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1okd s PHE 63 N -2.07 1.21 -0.09 1.20 -0.71 -0.78 -4.46 117.98 112.28 1okd s PHE 63 Ca 0.30 -1.38 -0.11 0.00 -1.04 0.00 0.00 56.93 54.71 1okd s PHE 63 Cb -0.05 -0.59 0.03 0.00 -1.21 0.00 0.00 43.02 41.20 1okd s PHE 63 CO 0.83 -0.63 0.29 -2.00 -1.34 0.00 0.00 175.22 172.38 1okd s GLU 64 N -4.13 0.40 -0.08 1.99 2.56 -1.23 -4.78 118.70 113.43 1okd s GLU 64 Ca 0.39 0.28 0.01 0.00 0.00 0.00 0.00 54.97 55.66 1okd s GLU 64 Cb 0.07 0.19 -0.02 0.00 2.00 0.00 0.00 34.13 36.36 1okd s GLU 64 CO 0.13 -0.07 -0.11 0.08 -0.56 0.00 0.00 175.26 174.73 1okd s VAL 65 N -0.14 3.32 0.05 3.70 1.01 -1.26 -2.53 120.40 124.55 1okd s VAL 65 Ca -0.03 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1okd s VAL 65 Cb -0.03 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1okd s VAL 65 CO 0.01 0.57 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 1okd s VAL 66 N -0.42 2.95 -0.12 2.92 1.01 0.17 -2.49 120.40 124.41 1okd s VAL 66 Ca 0.05 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 1okd s VAL 66 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1okd s VAL 66 CO 0.02 0.31 0.11 0.12 0.00 0.00 0.00 175.10 175.66 1okd s PHE 67 N -0.97 3.51 -0.27 5.22 2.19 0.18 -3.49 117.98 124.34 1okd s PHE 67 Ca 0.16 0.45 0.00 0.00 0.33 0.00 0.00 56.93 57.87 1okd s PHE 67 Cb -0.11 -1.93 0.08 0.00 -1.31 0.00 0.00 43.02 39.75 1okd s PHE 67 CO 0.07 0.65 0.02 0.00 1.83 0.00 0.00 175.22 177.78 1okd s THR 69 N 1.42 3.02 -0.13 0.00 -1.32 -1.26 -2.66 115.64 114.70 1okd s THR 69 Ca 0.02 0.33 0.23 0.00 -1.21 0.00 0.00 61.69 61.07 1okd s THR 69 Cb -0.18 -3.00 0.45 0.00 -1.51 0.00 0.00 72.50 68.26 1okd s THR 69 CO -0.12 -0.43 1.15 0.79 -2.21 0.00 0.00 174.62 173.79 1okd n TRP 70 N -3.54 0.52 -4.00 9.09 7.02 0.29 -4.67 117.44 122.16 1okd n TRP 70 Ca 0.07 -1.31 -0.23 0.00 -1.02 0.00 0.00 57.50 55.01 1okd n TRP 70 Cb 0.56 -0.11 -0.03 0.00 -2.42 0.00 0.00 31.31 29.30 1okd n TRP 70 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1okd s ASP 71 N -2.79 6.09 -0.13 -0.99 1.11 -1.26 -4.61 116.67 114.09 1okd s ASP 71 Ca 0.29 0.02 0.10 0.00 0.18 0.00 0.00 52.55 53.14 1okd s ASP 71 Cb 0.35 -1.75 -0.23 0.00 1.07 0.00 0.00 42.92 42.36 1okd s ASP 71 CO -0.10 -0.01 0.34 1.21 1.18 0.00 0.00 175.17 177.79 1okd n GLU 72 N -0.99 0.67 -4.00 8.23 4.07 -1.26 -4.91 120.64 122.45 1okd n GLU 72 Ca -0.08 0.19 -0.36 0.00 -0.06 0.00 0.00 57.16 56.84 1okd n GLU 72 Cb 0.56 -1.67 -0.07 0.00 -0.06 0.00 0.00 31.44 30.20 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1okd s GLU 73 N -2.55 3.33 0.14 5.31 2.56 -1.26 -5.01 118.70 121.22 1okd s GLU 73 Ca -0.12 -0.20 -0.07 0.00 0.00 0.00 0.00 54.97 54.58 1okd s GLU 73 Cb 0.07 -3.09 -0.03 0.00 2.00 0.00 0.00 34.13 33.08 1okd s GLU 73 CO 0.79 0.76 1.39 0.93 -0.56 0.00 0.00 175.26 178.57 1okd h GLU 74 N 5.03 0.62 -0.24 4.30 5.08 -2.01 -3.08 114.58 124.27 1okd h GLU 74 Ca -0.54 -0.48 0.07 0.00 -1.00 0.00 0.00 59.36 57.41 1okd h GLU 74 Cb 1.22 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1okd h GLU 74 CO 0.57 1.10 0.25 -0.44 -1.00 0.00 0.00 179.01 179.50 1okd h ASP 75 N 0.43 0.00 0.12 1.42 3.32 -1.99 -0.11 116.42 119.62 1okd h ASP 75 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1okd h ASP 75 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1okd h ASP 75 CO 0.14 0.00 -0.06 1.23 -1.72 0.00 0.00 179.24 178.83 1okd h GLY 76 N 0.00 -0.17 1.01 2.75 0.00 -1.97 -3.18 103.07 101.51 1okd h GLY 76 Ca 0.11 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 1okd h GLY 76 CO -0.00 -0.06 0.25 0.27 0.00 0.00 0.00 176.54 176.99 1okd h PHE 77 N -0.97 0.97 -0.12 5.60 -5.15 -1.54 -3.03 116.94 112.70 1okd h PHE 77 Ca -0.02 -0.08 0.05 0.00 -0.20 0.00 0.00 57.97 57.72 1okd h PHE 77 Cb 0.43 -0.29 -0.06 0.00 0.22 0.00 0.00 35.95 36.26 1okd h PHE 77 CO 0.08 0.77 -0.26 0.00 -2.00 0.00 0.00 178.31 176.90 1okd h ALA 78 N 1.10 -0.26 0.00 12.09 0.00 -1.17 1.49 119.26 132.51 1okd h ALA 78 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1okd h ALA 78 Cb 0.22 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1okd h ALA 78 CO -0.02 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 178.92 1okd n GLY 79 N -1.38 -0.90 0.12 0.00 0.00 -1.20 -1.60 105.19 100.24 1okd n GLY 79 Ca -0.03 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1okd n GLY 79 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1okd n TYR 80 N -2.14 0.29 0.76 1.61 9.36 0.12 -4.36 117.16 122.80 1okd n TYR 80 Ca -0.01 0.07 0.13 0.00 3.32 0.00 0.00 57.90 61.42 1okd n TYR 80 Cb 0.07 -1.04 0.49 0.00 -0.63 0.00 0.00 39.34 38.23 1okd n TYR 80 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1okd n PHE 81 N -3.20 0.53 -0.35 2.98 3.01 0.47 -3.84 117.46 117.07 1okd n PHE 81 Ca -0.39 0.16 0.08 0.00 1.01 0.00 0.00 57.45 58.30 1okd n PHE 81 Cb 1.03 -0.76 0.25 0.00 -0.01 0.00 0.00 39.48 39.99 1okd n PHE 81 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1okd h ALA 82 N 2.70 1.50 -2.03 4.37 0.00 -1.50 -3.15 119.26 121.16 1okd h ALA 82 Ca 0.00 0.04 -0.75 0.00 0.00 0.00 0.00 54.91 54.20 1okd h ALA 82 Cb 0.61 -0.16 -0.32 0.00 0.00 0.00 0.00 17.79 17.92 1okd h ALA 82 CO 0.00 0.14 0.36 0.36 0.00 0.00 0.00 179.25 180.11 1okd n LYS 83 N -4.68 3.87 -3.69 0.00 -0.00 -1.25 -4.77 118.16 107.64 1okd n LYS 83 Ca 0.19 -4.59 -0.14 0.00 -0.00 0.00 0.00 58.31 53.77 1okd n LYS 83 Cb 0.40 -2.44 -0.14 0.00 -0.00 0.00 0.00 35.03 32.85 1okd n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1okd s MET 84 N -2.66 0.11 0.23 -1.58 0.23 -1.19 -5.03 119.30 109.41 1okd s MET 84 Ca 0.34 0.59 0.17 0.00 -1.03 0.00 0.00 55.69 55.75 1okd s MET 84 Cb 0.07 -0.15 0.03 0.00 -1.53 0.00 0.00 34.83 33.26 1okd s MET 84 CO 0.07 -0.25 1.27 -1.00 -2.03 0.00 0.00 175.02 173.08 1okd h PRO 85 N 7.92 0.00 -7.35 3.16 0.13 -1.93 -3.38 132.00 130.55 1okd h PRO 85 Ca -0.24 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.39 1okd h PRO 85 Cb 1.13 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.37 1okd h PRO 85 CO 0.23 0.37 0.33 1.67 -0.23 0.00 0.00 178.00 180.37 1okd s TRP 86 N -3.00 2.79 0.23 1.56 -2.14 -1.26 -4.75 118.94 112.36 1okd s TRP 86 Ca 0.02 1.35 -0.23 0.00 2.66 0.00 0.00 56.10 59.90 1okd s TRP 86 Cb 0.08 -3.03 -0.09 0.00 -3.10 0.00 0.00 33.47 27.33 1okd s TRP 86 CO 0.76 -1.69 0.79 -0.51 -2.66 0.00 0.00 176.95 173.64 1okd s LEU 87 N -5.80 4.43 0.06 -4.66 1.43 -1.04 -3.95 118.68 109.15 1okd s LEU 87 Ca 0.60 1.59 0.02 0.00 -1.03 0.00 0.00 54.13 55.32 1okd s LEU 87 Cb -0.15 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1okd s LEU 87 CO 0.55 0.07 -0.08 0.00 0.23 0.00 0.00 176.35 177.12 1okd s ALA 88 N -1.42 0.77 -0.17 4.21 0.00 -1.26 -0.65 121.76 123.24 1okd s ALA 88 Ca 0.42 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1okd s ALA 88 Cb -0.19 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1okd s ALA 88 CO 0.23 -0.07 1.01 0.08 0.00 0.00 0.00 175.76 177.01 1okd s VAL 89 N -2.10 4.74 0.69 0.00 1.01 -1.21 0.11 120.40 123.64 1okd s VAL 89 Ca -0.02 2.00 -0.16 0.00 0.00 0.00 0.00 61.98 63.80 1okd s VAL 89 Cb -0.05 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.05 1okd s VAL 89 CO -0.01 -0.08 1.23 -2.16 0.00 0.00 0.00 175.10 174.08 1okd s PRO 90 N 2.59 2.38 0.55 2.72 0.04 -1.26 -4.80 135.00 137.23 1okd s PRO 90 Ca 0.45 1.84 0.35 0.00 0.04 0.00 0.00 61.00 63.69 1okd s PRO 90 Cb -0.17 -1.85 1.51 0.00 0.04 0.00 0.00 34.50 34.03 1okd s PRO 90 CO 0.12 -1.67 1.78 0.35 0.04 0.00 0.00 177.00 177.62 1okd h PHE 91 N 0.11 0.00 -0.95 0.56 3.57 -1.99 0.13 116.94 118.37 1okd h PHE 91 Ca -0.49 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.20 1okd h PHE 91 Cb 1.31 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.96 1okd h PHE 91 CO 0.46 0.00 0.61 0.00 -2.23 0.00 0.00 178.31 177.14 1okd h ALA 92 N 1.35 1.97 -0.26 2.41 0.00 -2.03 -0.82 119.26 121.87 1okd h ALA 92 Ca 0.52 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.34 1okd h ALA 92 Cb 2.20 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.85 1okd h ALA 92 CO -0.01 -0.28 -0.17 1.04 0.00 0.00 0.00 179.25 179.83 1okd n GLN 93 N -4.61 1.81 0.26 0.00 1.13 0.43 -4.68 117.38 111.72 1okd n GLN 93 Ca 0.21 -3.19 0.09 0.00 -1.94 0.00 0.00 57.00 52.17 1okd n GLN 93 Cb 0.63 -1.77 0.68 0.00 0.11 0.00 0.00 30.24 29.89 1okd n GLN 93 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1okd h SER 94 N 1.01 0.00 -0.58 1.08 4.64 -1.05 -1.53 113.55 117.11 1okd h SER 94 Ca 0.16 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.65 1okd h SER 94 Cb 1.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.55 1okd h SER 94 CO 0.29 0.07 0.43 -0.08 -0.87 0.00 0.00 176.83 176.67 1okd h GLU 95 N 0.00 0.00 -0.15 4.77 4.81 -1.83 0.20 114.58 122.38 1okd h GLU 95 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1okd h GLU 95 Cb 0.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1okd h GLU 95 CO 0.01 0.00 -0.51 0.00 -0.73 0.00 0.00 179.01 177.78 1okd h ALA 96 N 1.68 0.86 -0.38 2.92 0.00 -1.62 -3.11 119.26 119.61 1okd h ALA 96 Ca 0.28 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1okd h ALA 96 Cb 1.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1okd h ALA 96 CO -0.00 0.67 0.14 0.28 0.00 0.00 0.00 179.25 180.34 1okd h VAL 97 N 0.32 1.16 -0.11 0.00 2.07 -0.70 1.25 116.25 120.23 1okd h VAL 97 Ca 0.01 -0.50 -0.24 0.00 0.82 0.00 0.00 66.70 66.80 1okd h VAL 97 Cb 1.00 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1okd h VAL 97 CO 0.09 0.19 -0.86 0.06 0.02 0.00 0.00 177.57 177.06 1okd h GLN 98 N 0.54 0.77 0.15 1.57 3.07 -1.49 -3.14 115.11 116.60 1okd h GLN 98 Ca 0.13 -0.69 -0.30 0.00 0.09 0.00 0.00 58.65 57.88 1okd h GLN 98 Cb 0.13 0.16 0.01 0.00 0.08 0.00 0.00 27.48 27.86 1okd h GLN 98 CO -0.01 1.28 -1.43 0.87 0.09 0.00 0.00 178.83 179.63 1okd h LYS 99 N 0.50 0.33 -0.53 0.06 1.79 -1.42 -3.30 116.57 114.00 1okd h LYS 99 Ca -0.08 -0.56 0.09 0.00 -2.18 0.00 0.00 60.65 57.93 1okd h LYS 99 Cb 1.50 0.21 -0.07 0.00 -1.58 0.00 0.00 32.23 32.28 1okd h LYS 99 CO 0.18 1.23 0.11 1.25 -1.08 0.00 0.00 179.45 181.14 1okd h LEU 100 N 0.09 0.01 -0.79 2.94 5.85 0.15 -1.41 115.31 122.15 1okd h LEU 100 Ca -0.21 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1okd h LEU 100 Cb 2.04 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 43.16 1okd h LEU 100 CO 0.20 0.03 0.51 0.77 -0.34 0.00 0.00 178.44 179.61 1okd h SER 101 N 0.25 0.92 -0.57 1.25 4.64 -1.66 -1.73 113.55 116.65 1okd h SER 101 Ca 0.27 -0.04 0.16 0.00 -0.47 0.00 0.00 61.79 61.72 1okd h SER 101 Cb 0.37 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1okd h SER 101 CO -0.35 0.68 0.48 0.50 -0.87 0.00 0.00 176.83 177.28 1okd h LYS 102 N 1.07 0.00 0.00 4.77 3.64 -1.33 0.39 116.57 125.11 1okd h LYS 102 Ca 0.29 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.53 1okd h LYS 102 Cb -0.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1okd h LYS 102 CO -0.06 0.00 -0.64 0.45 -2.27 0.00 0.00 179.45 176.93 1okd h HIS 103 N 0.00 0.00 -0.50 1.91 3.86 -1.14 -3.03 115.15 116.25 1okd h HIS 103 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1okd h HIS 103 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1okd h HIS 103 CO 0.00 0.64 0.00 1.19 0.86 0.00 0.00 177.93 180.62 1okd n PHE 104 N -3.62 0.66 -3.70 2.45 3.72 0.13 -4.94 117.46 112.15 1okd n PHE 104 Ca -0.01 -0.33 -0.28 0.00 -0.05 0.00 0.00 57.45 56.78 1okd n PHE 104 Cb 0.67 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.22 1okd n PHE 104 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1okd n ASN 105 N 1.31 -4.27 -4.52 4.37 4.05 -0.68 -4.79 115.26 110.72 1okd n ASN 105 Ca 0.20 -0.64 -0.44 0.00 0.45 0.00 0.00 54.58 54.15 1okd n ASN 105 Cb 0.54 -3.46 -0.05 0.00 1.23 0.00 0.00 39.78 38.03 1okd n ASN 105 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1okd n VAL 106 N -4.35 0.16 0.22 3.44 0.31 -1.15 -4.84 118.33 112.11 1okd n VAL 106 Ca 0.02 -0.44 -0.15 0.00 -0.01 0.00 0.00 64.34 63.76 1okd n VAL 106 Cb 0.53 -2.14 -0.08 0.00 -0.91 0.00 0.00 33.84 31.25 1okd n VAL 106 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1okd h GLU 107 N 14.95 -0.55 -1.70 5.55 4.81 -1.94 -3.47 114.58 132.23 1okd h GLU 107 Ca -0.29 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1okd h GLU 107 Cb 1.28 0.13 -0.22 0.00 0.63 0.00 0.00 28.75 30.57 1okd h GLU 107 CO 1.06 -0.37 0.43 -1.12 -0.73 0.00 0.00 179.01 178.28 1okd s SER 108 N -4.70 -0.46 0.56 1.04 0.01 -1.26 -5.17 113.70 103.71 1okd s SER 108 Ca -0.16 0.50 -0.10 0.00 1.31 0.00 0.00 55.95 57.50 1okd s SER 108 Cb 0.05 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 1okd s SER 108 CO 0.64 -0.43 0.94 0.27 0.41 0.00 0.00 173.24 175.08 1okd s ILE 109 N -1.15 4.75 0.52 1.44 -5.25 -1.26 -4.52 121.20 115.72 1okd s ILE 109 Ca -0.05 0.72 -0.06 0.00 -0.99 0.00 0.00 60.65 60.28 1okd s ILE 109 Cb -0.00 -3.84 -0.03 0.00 2.95 0.00 0.00 42.46 41.53 1okd s ILE 109 CO 0.04 -0.98 0.83 -2.16 -1.79 0.00 0.00 174.94 170.88 1okd s PRO 110 N -4.86 3.44 0.22 0.37 0.04 -1.26 -5.05 135.00 127.91 1okd s PRO 110 Ca 0.53 0.23 -0.13 0.00 0.04 0.00 0.00 61.00 61.67 1okd s PRO 110 Cb -0.11 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1okd s PRO 110 CO 0.48 -0.33 0.46 -0.08 0.04 0.00 0.00 177.00 177.57 1okd s THR 111 N -2.84 0.02 -0.13 1.26 -1.32 -0.12 -4.96 115.64 107.55 1okd s THR 111 Ca 0.49 -1.27 -0.05 0.00 -1.21 0.00 0.00 61.69 59.66 1okd s THR 111 Cb -0.10 -2.01 0.06 0.00 -1.51 0.00 0.00 72.50 68.94 1okd s THR 111 CO 0.46 -0.08 0.27 -0.22 -2.21 0.00 0.00 174.62 172.84 1okd s LEU 112 N -2.98 -0.26 0.20 9.08 2.96 -1.26 -0.73 118.68 125.69 1okd s LEU 112 Ca 0.19 0.61 0.11 0.00 -0.22 0.00 0.00 54.13 54.82 1okd s LEU 112 Cb -0.00 0.74 -0.04 0.00 0.50 0.00 0.00 46.19 47.38 1okd s LEU 112 CO 0.05 -0.23 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.98 1okd s ILE 113 N 2.32 2.38 -0.09 6.68 1.01 -0.89 0.37 121.20 132.97 1okd s ILE 113 Ca 0.00 -2.04 0.01 0.00 0.00 0.00 0.00 60.65 58.62 1okd s ILE 113 Cb -0.12 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.22 1okd s ILE 113 CO -0.09 -0.13 -0.10 -0.83 0.00 0.00 0.00 174.94 173.79 1okd s GLY 114 N -2.71 0.83 0.17 6.18 0.00 -0.98 0.59 107.32 111.40 1okd s GLY 114 Ca 0.21 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.45 1okd s GLY 114 CO 0.10 0.47 -0.03 -1.34 0.00 0.00 0.00 173.10 172.30 1okd s VAL 115 N 1.21 0.90 -0.27 1.40 -7.23 -0.52 -1.63 120.40 114.27 1okd s VAL 115 Ca -0.04 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.02 1okd s VAL 115 Cb -0.14 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1okd s VAL 115 CO -0.03 -0.54 0.17 -1.81 -0.31 0.00 0.00 175.10 172.57 1okd s ASP 116 N -3.19 5.90 0.23 4.85 1.11 -1.25 -0.24 116.67 124.08 1okd s ASP 116 Ca 0.22 -0.02 -0.06 0.00 0.18 0.00 0.00 52.55 52.87 1okd s ASP 116 Cb 0.05 -2.09 0.22 0.00 1.07 0.00 0.00 42.92 42.17 1okd s ASP 116 CO 0.03 -0.03 1.82 0.00 1.18 0.00 0.00 175.17 178.17 1okd h ALA 117 N 8.22 1.12 0.36 5.23 0.00 -1.78 1.04 119.26 133.46 1okd h ALA 117 Ca -0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1okd h ALA 117 Cb 1.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1okd h ALA 117 CO 0.57 0.65 -0.36 0.22 0.00 0.00 0.00 179.25 180.32 1okd h ASP 118 N 1.14 -1.00 0.01 0.00 1.82 -1.89 -2.79 116.42 113.71 1okd h ASP 118 Ca 0.27 0.08 -0.16 0.00 -0.39 0.00 0.00 57.03 56.83 1okd h ASP 118 Cb 0.16 0.33 0.01 0.00 0.68 0.00 0.00 39.33 40.51 1okd h ASP 118 CO -0.03 -0.48 -0.64 -1.28 -1.61 0.00 0.00 179.24 175.21 1okd h SER 119 N -0.72 0.55 0.00 2.28 0.87 -1.96 -3.29 113.55 111.27 1okd h SER 119 Ca -0.04 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 1okd h SER 119 Cb 0.63 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1okd h SER 119 CO -0.05 1.25 0.00 0.61 -0.53 0.00 0.00 176.83 178.11 1okd n GLY 120 N 1.11 3.04 3.74 5.77 0.00 0.36 -3.48 105.19 115.74 1okd n GLY 120 Ca -0.11 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1okd n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1okd n ASP 121 N 1.34 3.14 -4.75 1.61 9.92 -1.26 -4.24 116.55 122.31 1okd n ASP 121 Ca 0.00 1.13 -0.42 0.00 -0.53 0.00 0.00 54.79 54.97 1okd n ASP 121 Cb 0.00 -1.57 -0.01 0.00 -0.64 0.00 0.00 41.12 38.90 1okd n ASP 121 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1okd n VAL 122 N -0.12 1.23 -0.09 2.53 0.31 -1.26 -3.90 118.33 117.04 1okd n VAL 122 Ca 0.05 -0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 63.97 1okd n VAL 122 Cb 0.40 -1.93 -0.12 0.00 -0.91 0.00 0.00 33.84 31.28 1okd n VAL 122 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1okd n VAL 123 N 1.75 1.17 -3.68 2.52 0.31 -1.13 -4.96 118.33 114.30 1okd n VAL 123 Ca 0.07 -0.65 -0.14 0.00 -0.01 0.00 0.00 64.34 63.61 1okd n VAL 123 Cb 0.37 -0.73 -0.08 0.00 -0.91 0.00 0.00 33.84 32.49 1okd n VAL 123 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1okd s THR 124 N -2.41 0.02 -0.37 2.52 -1.32 -0.64 -4.24 115.64 109.20 1okd s THR 124 Ca -0.13 -0.20 0.12 0.00 -1.21 0.00 0.00 61.69 60.27 1okd s THR 124 Cb 0.06 -0.73 0.44 0.00 -1.51 0.00 0.00 72.50 70.76 1okd s THR 124 CO 0.64 -0.11 1.03 0.35 -2.21 0.00 0.00 174.62 174.33 1okd n THR 125 N 1.70 1.67 -2.69 5.08 -2.24 -1.26 -2.31 114.28 114.22 1okd n THR 125 Ca -0.18 -3.94 -0.06 0.00 -2.27 0.00 0.00 64.05 57.60 1okd n THR 125 Cb 0.56 -0.24 0.09 0.00 -2.10 0.00 0.00 70.33 68.64 1okd n THR 125 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1okd n ARG 126 N -0.29 0.93 -0.13 -0.78 -4.01 -1.25 -4.97 116.66 106.16 1okd n ARG 126 Ca 0.24 -1.55 0.05 0.00 -1.04 0.00 0.00 57.85 55.55 1okd n ARG 126 Cb 0.75 -0.11 0.17 0.00 -3.04 0.00 0.00 32.46 30.23 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1okd n ALA 127 N -0.48 2.47 0.03 2.89 0.00 0.16 -3.57 120.51 122.01 1okd n ALA 127 Ca -0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 1okd n ALA 127 Cb 0.79 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 1okd n ALA 127 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1okd h ARG 128 N 1.66 -0.18 0.13 0.00 1.12 -1.91 -3.00 114.38 112.20 1okd h ARG 128 Ca 0.00 0.01 -0.32 0.00 -1.11 0.00 0.00 59.98 58.56 1okd h ARG 128 Cb 0.38 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.37 1okd h ARG 128 CO 0.00 0.25 -1.60 0.00 -3.11 0.00 0.00 179.97 175.51 1okd h ALA 129 N -0.41 0.26 -0.12 2.80 0.00 -1.93 -3.37 119.26 116.49 1okd h ALA 129 Ca -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 54.91 53.72 1okd h ALA 129 Cb 0.51 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1okd h ALA 129 CO 0.03 1.13 -0.07 1.79 0.00 0.00 0.00 179.25 182.13 1okd h THR 130 N 0.08 1.33 -0.88 0.00 1.35 -1.74 0.70 112.91 113.75 1okd h THR 130 Ca -0.27 -1.12 0.19 0.00 -0.55 0.00 0.00 66.41 64.66 1okd h THR 130 Cb 2.04 1.82 -0.06 0.00 -1.73 0.00 0.00 68.15 70.21 1okd h THR 130 CO 0.16 0.32 0.58 0.25 -0.25 0.00 0.00 175.52 176.59 1okd h LEU 131 N -0.11 0.40 0.00 3.87 5.85 -1.71 0.53 115.31 124.14 1okd h LEU 131 Ca 0.03 0.04 -0.21 0.00 0.84 0.00 0.00 57.88 58.57 1okd h LEU 131 Cb 0.54 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1okd h LEU 131 CO 0.02 0.17 -1.14 1.62 -0.34 0.00 0.00 178.44 178.77 1okd h VAL 132 N 0.41 1.00 -0.07 1.05 3.04 -1.68 -3.37 116.25 116.62 1okd h VAL 132 Ca 0.45 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 63.95 1okd h VAL 132 Cb 1.12 2.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.73 1okd h VAL 132 CO -0.17 0.34 0.00 0.29 -1.01 0.00 0.00 177.57 177.03 1okd n LYS 133 N -4.45 1.36 -3.18 4.17 5.02 0.24 -4.07 118.16 117.27 1okd n LYS 133 Ca -0.30 -0.34 -0.20 0.00 -2.02 0.00 0.00 58.31 55.45 1okd n LYS 133 Cb 0.66 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 1okd n LYS 133 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1okd n ASP 134 N -0.04 1.06 -0.94 4.39 2.03 0.18 -4.91 116.55 118.31 1okd n ASP 134 Ca 0.03 -3.01 0.02 0.00 0.52 0.00 0.00 54.79 52.35 1okd n ASP 134 Cb 0.26 -0.62 0.13 0.00 -0.72 0.00 0.00 41.12 40.17 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1okd n PRO 135 N 0.46 2.21 -0.06 -0.67 -0.04 -1.26 -3.61 135.00 132.03 1okd n PRO 135 Ca 0.25 -0.98 -0.05 0.00 -0.04 0.00 0.00 63.50 62.68 1okd n PRO 135 Cb 0.61 -1.74 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 1okd n PRO 135 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1okd n GLU 136 N 0.19 1.42 -2.42 0.54 1.02 -1.26 -5.01 120.64 115.12 1okd n GLU 136 Ca 0.09 -0.03 -0.07 0.00 -0.02 0.00 0.00 57.16 57.13 1okd n GLU 136 Cb 0.55 -1.38 0.01 0.00 -0.02 0.00 0.00 31.44 30.60 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1okd n GLY 137 N 2.01 0.26 0.07 0.62 0.00 -1.24 -4.95 105.19 101.97 1okd n GLY 137 Ca -0.21 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 1okd n GLY 137 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1okd h GLU 138 N -0.35 0.00 -0.20 1.61 -0.00 -1.95 -3.39 114.58 110.31 1okd h GLU 138 Ca -0.16 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 58.99 1okd h GLU 138 Cb 1.12 0.00 -0.39 0.00 -0.00 0.00 0.00 28.75 29.47 1okd h GLU 138 CO 0.18 0.74 -1.08 1.04 -0.00 0.00 0.00 179.01 179.89 1okd n GLN 139 N -3.20 0.80 -0.23 1.06 1.13 -1.26 -4.97 117.38 110.70 1okd n GLN 139 Ca -0.07 -2.70 0.14 0.00 -1.94 0.00 0.00 57.00 52.44 1okd n GLN 139 Cb 0.97 -0.74 0.27 0.00 0.11 0.00 0.00 30.24 30.84 1okd n GLN 139 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1okd n PHE 140 N -0.01 0.56 0.65 1.08 -1.74 -1.26 0.39 117.46 117.14 1okd n PHE 140 Ca 0.06 0.83 0.02 0.00 -0.56 0.00 0.00 57.45 57.80 1okd n PHE 140 Cb 0.99 -1.09 0.10 0.00 1.52 0.00 0.00 39.48 41.00 1okd n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1okd n PRO 141 N -4.82 0.33 -0.69 3.97 -0.04 -1.26 -4.81 135.00 127.68 1okd n PRO 141 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1okd n PRO 141 Cb 0.65 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1okd n PRO 141 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1okd n TRP 142 N -0.66 0.00 -4.03 0.54 8.01 1.27 -4.30 117.44 118.27 1okd n TRP 142 Ca 0.03 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.98 1okd n TRP 142 Cb 0.01 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.25 1okd n TRP 142 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1okd s LYS 143 N -0.79 2.35 0.05 -0.99 -2.85 -1.26 -4.62 119.74 111.63 1okd s LYS 143 Ca 0.00 -1.64 -0.21 0.00 -1.00 0.00 0.00 55.97 53.13 1okd s LYS 143 Cb 0.00 -2.15 -0.13 0.00 -2.06 0.00 0.00 37.83 33.50 1okd s LYS 143 CO 0.00 -0.00 1.45 0.38 0.10 0.00 0.00 175.35 177.28 1okd h ASP 144 N 1.44 0.28 -3.24 0.03 2.03 -1.87 -3.41 116.42 111.68 1okd h ASP 144 Ca -0.43 -0.36 -0.58 0.00 -0.73 0.00 0.00 57.03 54.93 1okd h ASP 144 Cb 1.25 -0.08 -0.40 0.00 -0.83 0.00 0.00 39.33 39.28 1okd h ASP 144 CO 0.64 0.57 -0.76 0.00 -1.03 0.00 0.00 179.24 178.67 1okd s ALA 145 N -4.79 1.58 1.00 4.15 0.00 -1.26 -5.14 121.76 117.31 1okd s ALA 145 Ca -0.14 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.13 1okd s ALA 145 Cb 0.06 -1.57 0.19 0.00 0.00 0.00 0.00 23.12 21.80 1okd s ALA 145 CO 0.72 -1.56 1.09 -1.25 0.00 0.00 0.00 175.76 174.76 1okd s PRO 146 N 1.59 0.39 0.00 0.00 0.04 -1.26 -5.01 135.00 130.75 1okd s PRO 146 Ca 0.07 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1okd s PRO 146 Cb -0.17 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1okd s PRO 146 CO -0.20 -2.77 0.65 1.47 0.04 0.00 0.00 177.00 176.19 1okd n LEU 147 N -4.21 0.00 -2.56 -3.56 -0.00 -1.26 -5.09 117.00 100.31 1okd n LEU 147 Ca 0.05 -0.76 -0.05 0.00 -0.00 0.00 0.00 56.01 55.25 1okd n LEU 147 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 1okd n LEU 147 CO 0.57 0.45 -0.64 1.21 -0.00 0.00 0.00 177.39 178.98 1okd n GLU 148 N 0.00 -4.37 0.00 1.47 4.07 -1.26 -5.32 120.64 115.23 1okd n GLU 148 Ca 0.00 3.32 0.00 0.00 -0.06 0.00 0.00 57.16 60.42 1okd n GLU 148 Cb 0.58 -4.97 0.00 0.00 -0.06 0.00 0.00 31.44 26.99 1okd n GLU 148 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68