#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 0.00 0.39 0.46 0.00 -1.85 -3.24 103.07 98.84 1okd h GLY 3 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.53 1okd h GLY 3 CO 0.00 0.00 0.61 1.41 0.00 0.00 0.00 176.54 178.56 1okd h LEU 4 N 0.00 0.00 -0.49 3.11 3.38 -1.89 -0.68 115.31 118.75 1okd h LEU 4 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1okd h LEU 4 Cb 0.73 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1okd h LEU 4 CO 0.00 0.00 0.04 -2.24 0.09 0.00 0.00 178.44 176.33 1okd h ASP 5 N 0.00 -0.12 -0.63 -0.43 3.04 -1.93 -0.30 116.42 116.04 1okd h ASP 5 Ca 0.33 0.10 0.18 0.00 -3.24 0.00 0.00 57.03 54.41 1okd h ASP 5 Cb 1.54 0.17 -0.03 0.00 -1.04 0.00 0.00 39.33 39.98 1okd h ASP 5 CO -0.00 -0.03 0.56 0.07 -2.04 0.00 0.00 179.24 177.80 1okd h LYS 6 N 0.16 0.00 0.01 4.15 2.10 -1.39 -2.66 116.57 118.94 1okd h LYS 6 Ca 0.24 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1okd h LYS 6 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 1okd h LYS 6 CO -0.37 0.00 -0.00 -0.92 -2.00 0.00 0.00 179.45 176.15 1okd h TYR 7 N 0.00 -0.01 -0.32 0.07 3.20 -1.18 -3.47 116.97 115.26 1okd h TYR 7 Ca 0.30 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.39 1okd h TYR 7 Cb 1.42 0.00 -0.20 0.00 1.54 0.00 0.00 36.73 39.50 1okd h TYR 7 CO 0.00 -0.01 0.06 -1.17 -1.64 0.00 0.00 178.16 175.40 1okd s LEU 8 N -4.06 -0.47 0.00 2.82 2.96 -1.00 -4.85 118.68 114.08 1okd s LEU 8 Ca -0.00 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 1okd s LEU 8 Cb 0.00 1.35 0.30 0.00 0.50 0.00 0.00 46.19 48.35 1okd s LEU 8 CO 0.01 -0.09 0.92 -2.65 -1.32 0.00 0.00 176.35 173.22 1okd n PRO 9 N 5.32 0.69 -0.02 0.98 -0.02 -1.24 -3.13 135.00 137.57 1okd n PRO 9 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.31 1okd n PRO 9 Cb 0.55 -1.12 -0.14 0.00 -0.02 0.00 0.00 33.50 32.78 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 0.23 -0.66 3.57 -1.23 0.00 -1.26 -4.82 105.19 101.02 1okd n GLY 10 Ca 0.04 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.56 3.20 -0.15 -0.61 1.01 -1.19 -4.76 121.20 116.14 1okd s ILE 11 Ca -0.19 0.15 0.16 0.00 0.00 0.00 0.00 60.65 60.78 1okd s ILE 11 Cb 0.07 -3.40 -0.23 0.00 0.01 0.00 0.00 42.46 38.91 1okd s ILE 11 CO 0.77 -0.34 0.12 -1.84 0.00 0.00 0.00 174.94 173.65 1okd n GLU 12 N 8.91 1.00 -4.19 2.79 0.28 -1.26 -4.86 120.64 123.30 1okd n GLU 12 Ca 0.28 -0.04 -0.17 0.00 -0.16 0.00 0.00 57.16 57.08 1okd n GLU 12 Cb 0.51 -1.46 -0.12 0.00 1.43 0.00 0.00 31.44 31.80 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1okd s LYS 13 N -2.58 0.72 0.34 3.44 1.02 -1.26 0.97 119.74 122.38 1okd s LYS 13 Ca -0.09 -0.74 0.07 0.00 0.02 0.00 0.00 55.97 55.24 1okd s LYS 13 Cb 0.06 -0.64 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 1okd s LYS 13 CO 0.74 0.15 0.28 -0.51 -0.92 0.00 0.00 175.35 175.10 1okd s LEU 14 N -1.31 3.58 0.00 3.17 2.01 0.11 -4.65 118.68 121.59 1okd s LEU 14 Ca -0.03 -0.51 0.30 0.00 0.01 0.00 0.00 54.13 53.90 1okd s LEU 14 Cb -0.08 -2.18 1.79 0.00 0.01 0.00 0.00 46.19 45.73 1okd s LEU 14 CO 0.01 -0.35 2.13 0.54 1.01 0.00 0.00 176.35 179.69 1okd n ARG 15 N -1.36 0.93 0.00 1.70 1.74 0.09 -1.73 116.66 118.03 1okd n ARG 15 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1okd n ARG 15 Cb 0.60 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1okd n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1okd n ARG 16 N -1.01 0.00 0.00 5.56 3.00 -1.25 -4.35 116.66 118.61 1okd n ARG 16 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 1okd n ARG 16 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.57 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 0.00 0.57 0.51 5.14 0.00 -1.25 -4.01 105.19 106.14 1okd n GLY 17 Ca 0.00 0.25 0.33 0.00 0.00 0.00 0.00 46.02 46.59 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 0.04 0.00 1.61 3.04 -1.92 -3.43 116.42 115.76 1okd h ASP 18 Ca 0.00 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 1okd h ASP 18 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1okd h ASP 18 CO 0.00 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 1okd n GLY 19 N -1.73 3.91 3.15 7.15 0.00 -1.26 -5.19 105.19 111.22 1okd n GLY 19 Ca 0.24 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 3.55 0.69 0.11 1.61 2.02 -1.26 -3.81 118.70 121.61 1okd s GLU 20 Ca 0.00 -0.94 -0.03 0.00 0.02 0.00 0.00 54.97 54.01 1okd s GLU 20 Cb 0.00 0.27 -0.03 0.00 0.10 0.00 0.00 34.13 34.47 1okd s GLU 20 CO 0.00 -0.18 0.08 0.14 0.02 0.00 0.00 175.26 175.32 1okd s VAL 21 N -3.41 0.14 0.54 2.63 -7.23 -0.70 -4.92 120.40 107.43 1okd s VAL 21 Ca 0.02 -1.72 -0.17 0.00 -1.81 0.00 0.00 61.98 58.30 1okd s VAL 21 Cb 0.03 -1.78 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 1okd s VAL 21 CO -0.08 -0.62 1.03 -1.61 -0.31 0.00 0.00 175.10 173.51 1okd s GLU 22 N -3.98 3.66 0.48 4.82 0.41 -1.26 0.09 118.70 122.93 1okd s GLU 22 Ca 0.16 1.17 0.21 0.00 -0.41 0.00 0.00 54.97 56.11 1okd s GLU 22 Cb 0.07 -2.08 1.21 0.00 -1.78 0.00 0.00 34.13 31.55 1okd s GLU 22 CO -0.03 -0.52 2.01 0.28 -0.49 0.00 0.00 175.26 176.51 1okd h VAL 23 N 0.94 0.83 -0.65 2.63 2.07 0.27 -2.76 116.25 119.58 1okd h VAL 23 Ca -0.48 -0.66 0.19 0.00 0.82 0.00 0.00 66.70 66.58 1okd h VAL 23 Cb 1.21 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1okd h VAL 23 CO 0.59 0.17 0.60 0.11 0.02 0.00 0.00 177.57 179.06 1okd h LYS 24 N 0.00 0.00 0.00 1.57 1.79 -1.93 0.28 116.57 118.29 1okd h LYS 24 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1okd h LYS 24 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1okd h LYS 24 CO 0.02 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.82 1okd n SER 25 N -3.86 0.57 -2.64 0.86 7.64 -1.04 -1.99 113.62 113.15 1okd n SER 25 Ca 0.13 0.76 -0.32 0.00 1.01 0.00 0.00 58.87 60.45 1okd n SER 25 Cb 0.84 -0.83 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1okd n SER 25 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1okd n LEU 26 N -2.26 5.87 -4.24 -3.43 4.77 0.99 -4.92 117.00 113.78 1okd n LEU 26 Ca -0.01 -5.05 -0.43 0.00 -0.03 0.00 0.00 56.01 50.49 1okd n LEU 26 Cb 0.04 -0.70 -0.05 0.00 -2.33 0.00 0.00 43.42 40.38 1okd n LEU 26 CO 0.10 2.04 0.27 0.00 -1.33 0.00 0.00 177.39 178.47 1okd s ALA 27 N -3.76 3.87 0.00 -1.18 0.00 -0.84 -4.49 121.76 115.36 1okd s ALA 27 Ca 0.50 -3.26 0.00 0.00 0.00 0.00 0.00 51.96 49.20 1okd s ALA 27 Cb 0.42 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1okd s ALA 27 CO -0.27 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 173.70 1okd n GLY 28 N 3.86 0.74 3.51 0.00 0.00 -1.26 -5.00 105.19 107.05 1okd n GLY 28 Ca 0.10 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.02 1.07 -0.65 1.61 -2.85 -1.26 -4.94 119.74 111.69 1okd s LYS 29 Ca 0.00 0.21 -0.27 0.00 -1.00 0.00 0.00 55.97 54.91 1okd s LYS 29 Cb 0.00 0.50 -0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1okd s LYS 29 CO 0.00 -0.34 1.63 -1.17 0.10 0.00 0.00 175.35 175.57 1okd s LEU 30 N -1.30 3.25 -0.39 2.77 2.96 -1.26 -3.22 118.68 121.49 1okd s LEU 30 Ca -0.10 0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.62 1okd s LEU 30 Cb -0.00 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 44.13 1okd s LEU 30 CO 0.08 -2.15 0.86 -0.69 -1.32 0.00 0.00 176.35 173.13 1okd s VAL 31 N 7.72 4.63 0.44 1.68 1.01 0.34 -2.66 120.40 133.56 1okd s VAL 31 Ca 0.55 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 63.39 1okd s VAL 31 Cb -0.11 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1okd s VAL 31 CO 0.19 -0.56 0.76 -0.36 0.00 0.00 0.00 175.10 175.13 1okd s PHE 32 N 3.35 3.53 -0.22 5.22 0.08 0.23 -1.16 117.98 129.02 1okd s PHE 32 Ca 0.34 0.86 -0.04 0.00 0.12 0.00 0.00 56.93 58.22 1okd s PHE 32 Cb -0.12 -2.32 0.09 0.00 -0.57 0.00 0.00 43.02 40.09 1okd s PHE 32 CO 0.20 -0.18 0.16 -0.06 -0.10 0.00 0.00 175.22 175.23 1okd s PHE 33 N -2.57 0.02 -0.24 0.36 0.40 13.95 -0.04 117.98 129.86 1okd s PHE 33 Ca 0.48 -0.26 -0.17 0.00 -0.60 0.00 0.00 56.93 56.38 1okd s PHE 33 Cb -0.10 -0.62 -0.03 0.00 0.51 0.00 0.00 43.02 42.78 1okd s PHE 33 CO 0.39 -0.64 0.47 -0.47 0.70 0.00 0.00 175.22 175.67 1okd s TYR 34 N 2.21 3.31 -0.26 0.36 6.14 1.54 -2.41 117.35 128.23 1okd s TYR 34 Ca 0.06 0.63 -0.12 0.00 0.64 0.00 0.00 57.07 58.28 1okd s TYR 34 Cb -0.16 -2.65 -0.05 0.00 0.42 0.00 0.00 41.96 39.52 1okd s TYR 34 CO -0.18 -0.18 0.21 -0.06 0.64 0.00 0.00 175.55 175.98 1okd s PHE 35 N 1.93 3.27 -0.04 4.97 0.40 -0.84 0.10 117.98 127.77 1okd s PHE 35 Ca 0.21 0.22 -0.31 0.00 -0.60 0.00 0.00 56.93 56.45 1okd s PHE 35 Cb -0.15 -2.37 0.12 0.00 0.51 0.00 0.00 43.02 41.13 1okd s PHE 35 CO 0.09 -0.07 1.23 0.45 0.70 0.00 0.00 175.22 177.62 1okd s SER 36 N 1.42 -0.09 0.16 1.36 0.15 -0.06 -2.13 113.70 114.51 1okd s SER 36 Ca 0.09 -0.12 0.11 0.00 0.70 0.00 0.00 55.95 56.73 1okd s SER 36 Cb -0.15 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1okd s SER 36 CO 0.08 -0.34 -0.26 0.00 1.20 0.00 0.00 173.24 173.92 1okd s ALA 37 N -2.51 2.45 0.33 5.45 0.00 -1.26 0.11 121.76 126.33 1okd s ALA 37 Ca 0.13 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.57 1okd s ALA 37 Cb 0.03 -0.36 0.58 0.00 0.00 0.00 0.00 23.12 23.37 1okd s ALA 37 CO -0.04 0.49 1.86 0.66 0.00 0.00 0.00 175.76 178.73 1okd h SER 38 N 3.56 0.51 -0.54 0.00 4.64 -1.89 -2.39 113.55 117.44 1okd h SER 38 Ca -0.49 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 1okd h SER 38 Cb 1.19 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1okd h SER 38 CO 0.43 0.59 0.00 -2.67 -0.87 0.00 0.00 176.83 174.31 1okd n TRP 39 N -4.27 1.45 -1.33 4.77 4.27 -1.26 -4.97 117.44 116.10 1okd n TRP 39 Ca 0.01 -0.55 -0.30 0.00 -3.89 0.00 0.00 57.50 52.77 1okd n TRP 39 Cb 0.25 -0.30 0.10 0.00 -1.36 0.00 0.00 31.31 30.01 1okd n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1okd h PRO 41 N -1.21 -0.66 0.00 0.00 0.11 -1.93 -3.40 132.00 124.91 1okd h PRO 41 Ca -0.46 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1okd h PRO 41 Cb 1.25 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1okd h PRO 41 CO 0.54 -0.37 0.00 -2.30 -0.21 0.00 0.00 178.00 175.66 1okd n PRO 42 N -5.25 0.00 -0.49 1.05 -0.02 -1.26 -4.80 135.00 124.22 1okd n PRO 42 Ca -0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1okd n PRO 42 Cb 0.31 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 1okd n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1okd n ARG 44 N -0.08 0.00 -0.10 0.00 0.63 -1.26 -5.00 116.66 110.85 1okd n ARG 44 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 1okd n ARG 44 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 1okd n ARG 44 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1okd n GLY 45 N -1.16 -0.84 3.38 5.14 0.00 -1.26 -4.78 105.19 105.66 1okd n GLY 45 Ca 0.00 0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.35 3.20 0.02 1.61 5.36 -1.26 -4.57 117.98 119.99 1okd s PHE 46 Ca -0.27 -0.94 0.00 0.00 -0.96 0.00 0.00 56.93 54.76 1okd s PHE 46 Cb 0.06 -3.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1okd s PHE 46 CO 0.54 -0.90 0.00 0.25 -1.46 0.00 0.00 175.22 173.65 1okd n THR 47 N 5.29 0.00 1.82 0.12 -2.24 -1.26 -4.78 114.28 113.22 1okd n THR 47 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1okd n THR 47 Cb 0.43 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.85 0.91 0.08 -0.78 -0.04 -1.26 -3.47 135.00 127.58 1okd n PRO 48 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1okd n PRO 48 Cb 0.00 -1.01 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 1okd n PRO 48 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1okd h GLN 49 N 0.00 0.41 -0.46 0.54 5.75 -1.93 -3.26 115.11 116.17 1okd h GLN 49 Ca 0.00 -0.50 0.08 0.00 -0.15 0.00 0.00 58.65 58.08 1okd h GLN 49 Cb 0.00 0.16 -0.07 0.00 1.07 0.00 0.00 27.48 28.64 1okd h GLN 49 CO 0.00 1.17 0.06 1.25 -2.65 0.00 0.00 178.83 178.66 1okd h LEU 50 N 0.20 -0.07 -0.66 -2.39 7.12 -1.95 -0.82 115.31 116.75 1okd h LEU 50 Ca -0.11 0.09 0.08 0.00 0.13 0.00 0.00 57.88 58.07 1okd h LEU 50 Cb 1.71 0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 41.91 1okd h LEU 50 CO 0.18 -0.00 0.32 0.40 -0.13 0.00 0.00 178.44 179.21 1okd h ILE 51 N 0.18 0.87 0.07 4.05 1.08 -1.80 1.07 117.51 123.04 1okd h ILE 51 Ca 0.23 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1okd h ILE 51 Cb 0.31 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1okd h ILE 51 CO -0.33 0.10 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.12 1okd h GLU 52 N 0.56 -0.10 0.00 2.37 4.81 -1.38 0.95 114.58 121.80 1okd h GLU 52 Ca 0.32 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 1okd h GLU 52 Cb 0.31 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1okd h GLU 52 CO -0.25 0.18 -0.34 0.35 -0.73 0.00 0.00 179.01 178.23 1okd h PHE 53 N -0.37 0.00 0.00 0.92 3.57 -0.89 -2.75 116.94 117.42 1okd h PHE 53 Ca -0.01 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1okd h PHE 53 Cb 0.32 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1okd h PHE 53 CO 0.02 0.34 -0.29 -0.92 -2.23 0.00 0.00 178.31 175.22 1okd h TYR 54 N 0.00 0.00 -0.28 0.41 3.20 0.14 -3.00 116.97 117.43 1okd h TYR 54 Ca -0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1okd h TYR 54 Cb 0.69 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1okd h TYR 54 CO 0.00 0.75 0.28 0.22 -1.64 0.00 0.00 178.16 177.77 1okd h ASP 55 N -1.00 0.00 0.48 -2.11 3.58 0.90 2.14 116.42 120.41 1okd h ASP 55 Ca -0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1okd h ASP 55 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1okd h ASP 55 CO -0.04 0.00 -1.18 0.29 -2.88 0.00 0.00 179.24 175.43 1okd n LYS 56 N -3.89 0.42 0.00 0.28 5.02 -1.04 -4.55 118.16 114.41 1okd n LYS 56 Ca 0.04 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1okd n LYS 56 Cb 0.43 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1okd n LYS 56 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1okd n PHE 57 N -2.16 0.00 -0.07 2.13 7.35 -0.51 -4.84 117.46 119.35 1okd n PHE 57 Ca 0.01 -0.01 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 1okd n PHE 57 Cb 0.48 -0.00 0.55 0.00 0.35 0.00 0.00 39.48 40.86 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 1okd h HIS 58 N 0.00 0.34 0.00 -5.13 2.07 0.33 0.74 115.15 113.49 1okd h HIS 58 Ca 0.00 0.01 -0.12 0.00 -2.85 0.00 0.00 60.37 57.41 1okd h HIS 58 Cb 0.60 -0.11 -0.02 0.00 2.57 0.00 0.00 27.41 30.45 1okd h HIS 58 CO 0.00 0.15 -0.57 0.93 -3.07 0.00 0.00 177.93 175.37 1okd h GLU 59 N 0.31 0.00 0.09 5.12 5.08 -1.89 0.87 114.58 124.16 1okd h GLU 59 Ca 0.29 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.30 1okd h GLU 59 Cb 0.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1okd h GLU 59 CO -0.07 0.57 -1.94 0.45 -1.00 0.00 0.00 179.01 177.02 1okd n SER 60 N -3.84 2.06 0.04 1.42 2.88 -0.02 -4.39 113.62 111.77 1okd n SER 60 Ca -0.01 0.21 -0.11 0.00 -1.33 0.00 0.00 58.87 57.63 1okd n SER 60 Cb 0.58 -0.84 -0.13 0.00 -0.75 0.00 0.00 64.21 63.07 1okd n SER 60 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1okd h LYS 61 N -0.15 0.09 -6.25 -1.46 1.57 0.31 -3.49 116.57 107.18 1okd h LYS 61 Ca -0.44 -0.15 -0.31 0.00 -1.87 0.00 0.00 60.65 57.88 1okd h LYS 61 Cb 1.88 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1okd h LYS 61 CO 0.00 0.91 -0.77 -1.71 -0.57 0.00 0.00 179.45 177.31 1okd n ASN 62 N -3.31 -5.95 -4.38 0.86 5.15 0.30 -4.90 115.26 103.04 1okd n ASN 62 Ca -0.10 -0.52 -0.21 0.00 -0.60 0.00 0.00 54.58 53.16 1okd n ASN 62 Cb 1.00 -2.92 -0.10 0.00 -0.53 0.00 0.00 39.78 37.23 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 -2.78 1.83 -0.02 1.20 -0.71 -1.26 -4.47 117.98 111.78 1okd s PHE 63 Ca 0.06 -1.05 0.03 0.00 -1.04 0.00 0.00 56.93 54.93 1okd s PHE 63 Cb -0.01 -1.17 -0.00 0.00 -1.21 0.00 0.00 43.02 40.63 1okd s PHE 63 CO 0.85 -0.12 -0.09 -2.00 -1.34 0.00 0.00 175.22 172.52 1okd s GLU 64 N -3.91 0.84 -0.06 1.99 -6.30 -1.09 -4.99 118.70 105.18 1okd s GLU 64 Ca 0.36 -0.31 0.02 0.00 -2.50 0.00 0.00 54.97 52.54 1okd s GLU 64 Cb 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 34.13 33.38 1okd s GLU 64 CO 0.15 0.16 -0.11 0.08 0.02 0.00 0.00 175.26 175.56 1okd s VAL 65 N -0.02 3.38 0.01 3.70 1.01 -1.26 0.76 120.40 127.99 1okd s VAL 65 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1okd s VAL 65 Cb -0.06 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1okd s VAL 65 CO -0.00 0.59 -0.24 -0.69 0.00 0.00 0.00 175.10 174.76 1okd s VAL 66 N -0.78 2.26 -0.65 2.92 1.01 0.94 -2.31 120.40 123.80 1okd s VAL 66 Ca 0.12 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1okd s VAL 66 Cb -0.11 -1.85 0.11 0.00 0.00 0.00 0.00 36.38 34.53 1okd s VAL 66 CO 0.01 0.46 0.79 0.12 0.00 0.00 0.00 175.10 176.47 1okd s PHE 67 N -0.74 3.01 -0.48 5.22 5.36 -0.93 -1.12 117.98 128.28 1okd s PHE 67 Ca 0.11 -1.01 -0.25 0.00 -0.96 0.00 0.00 56.93 54.83 1okd s PHE 67 Cb -0.10 -4.07 0.03 0.00 -0.34 0.00 0.00 43.02 38.54 1okd s PHE 67 CO 0.01 -1.35 0.91 0.00 -1.46 0.00 0.00 175.22 173.33 1okd s THR 69 N 3.75 3.32 -0.37 0.00 -1.32 -1.25 -0.88 115.64 118.88 1okd s THR 69 Ca 0.34 0.49 0.13 0.00 -1.21 0.00 0.00 61.69 61.44 1okd s THR 69 Cb -0.11 -3.00 0.41 0.00 -1.51 0.00 0.00 72.50 68.30 1okd s THR 69 CO 0.24 -0.50 1.13 0.79 -2.21 0.00 0.00 174.62 174.07 1okd n TRP 70 N -3.12 -0.80 0.00 9.09 7.02 0.31 -4.52 117.44 125.41 1okd n TRP 70 Ca 0.09 -2.43 0.00 0.00 -1.02 0.00 0.00 57.50 54.15 1okd n TRP 70 Cb 0.53 0.64 0.00 0.00 -2.42 0.00 0.00 31.31 30.06 1okd n TRP 70 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1okd n ASP 71 N -0.25 0.00 0.00 -0.99 2.03 -1.26 -4.04 116.55 112.04 1okd n ASP 71 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1okd n ASP 71 Cb 0.81 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1okd n ASP 71 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1okd n GLU 72 N 0.00 0.00 -5.10 -0.67 1.02 -1.26 -5.08 120.64 109.55 1okd n GLU 72 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1okd n GLU 72 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.26 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1okd s GLU 73 N 0.00 2.05 0.59 3.49 2.12 -1.26 -5.01 118.70 120.68 1okd s GLU 73 Ca 0.00 -0.79 0.29 0.00 0.36 0.00 0.00 54.97 54.83 1okd s GLU 73 Cb 0.00 -1.84 1.50 0.00 0.26 0.00 0.00 34.13 34.05 1okd s GLU 73 CO 0.00 0.39 1.92 0.93 -0.54 0.00 0.00 175.26 177.97 1okd h GLU 74 N 5.90 0.00 -0.94 4.30 5.08 -2.00 -0.86 114.58 126.05 1okd h GLU 74 Ca -0.36 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1okd h GLU 74 Cb 1.16 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 1okd h GLU 74 CO 0.47 0.00 0.60 0.22 -1.00 0.00 0.00 179.01 179.31 1okd h ASP 75 N 0.00 0.87 0.14 1.42 3.58 -1.98 0.43 116.42 120.88 1okd h ASP 75 Ca 0.20 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1okd h ASP 75 Cb 1.09 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1okd h ASP 75 CO -0.00 0.51 -0.07 1.23 -2.88 0.00 0.00 179.24 178.03 1okd h GLY 76 N 0.96 -0.19 1.81 -0.78 0.00 -1.58 -3.11 103.07 100.18 1okd h GLY 76 Ca 0.44 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1okd h GLY 76 CO -0.20 -0.07 0.03 0.27 0.00 0.00 0.00 176.54 176.57 1okd h PHE 77 N -0.99 0.24 0.37 5.60 -0.00 -1.58 -2.91 116.94 117.67 1okd h PHE 77 Ca -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 57.93 1okd h PHE 77 Cb 0.40 -0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.27 1okd h PHE 77 CO 0.07 0.23 -0.18 0.00 -0.00 0.00 0.00 178.31 178.43 1okd h ALA 78 N 1.79 -0.49 0.00 12.09 0.00 -0.23 -0.00 119.26 132.42 1okd h ALA 78 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1okd h ALA 78 Cb 0.12 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1okd h ALA 78 CO -0.00 -0.75 0.04 0.41 0.00 0.00 0.00 179.25 178.94 1okd n GLY 79 N -1.18 -0.83 0.12 0.00 0.00 -1.12 0.76 105.19 102.94 1okd n GLY 79 Ca -0.11 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1okd n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1okd n TYR 80 N -2.23 0.00 -0.02 1.61 4.02 -0.14 -4.21 117.16 116.19 1okd n TYR 80 Ca -0.01 0.00 0.23 0.00 -0.01 0.00 0.00 57.90 58.10 1okd n TYR 80 Cb 0.07 -0.13 0.72 0.00 -0.02 0.00 0.00 39.34 39.98 1okd n TYR 80 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 1okd h PHE 81 N 0.60 0.00 0.00 -0.72 3.57 0.16 0.49 116.94 121.04 1okd h PHE 81 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1okd h PHE 81 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1okd h PHE 81 CO 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 1okd n ALA 82 N -2.57 1.70 -0.61 2.41 0.00 -1.26 -4.82 120.51 115.36 1okd n ALA 82 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1okd n ALA 82 Cb 0.72 -1.24 0.13 0.00 0.00 0.00 0.00 19.45 19.05 1okd n ALA 82 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1okd n LYS 83 N -1.49 -1.73 -1.01 0.00 4.76 0.17 -4.86 118.16 114.00 1okd n LYS 83 Ca 0.04 -0.62 -0.35 0.00 -2.87 0.00 0.00 58.31 54.52 1okd n LYS 83 Cb 0.17 -1.06 0.03 0.00 -1.84 0.00 0.00 35.03 32.33 1okd n LYS 83 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1okd n MET 84 N -2.11 0.00 0.12 1.97 2.81 -1.26 -4.82 117.12 113.83 1okd n MET 84 Ca 0.06 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.07 1okd n MET 84 Cb 0.25 -0.94 0.48 0.00 -0.71 0.00 0.00 33.22 32.31 1okd n MET 84 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1okd n PRO 85 N 2.04 0.19 -0.94 0.03 -0.04 -1.26 -4.88 135.00 130.14 1okd n PRO 85 Ca 0.01 0.40 -0.35 0.00 -0.04 0.00 0.00 63.50 63.51 1okd n PRO 85 Cb 0.50 -1.85 0.06 0.00 -0.04 0.00 0.00 33.50 32.17 1okd n PRO 85 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1okd n TRP 86 N -2.21 -3.94 -2.89 0.54 2.14 -1.26 -3.89 117.44 105.93 1okd n TRP 86 Ca 0.02 0.08 -0.41 0.00 2.07 0.00 0.00 57.50 59.27 1okd n TRP 86 Cb 0.24 -1.51 -0.04 0.00 -0.81 0.00 0.00 31.31 29.19 1okd n TRP 86 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1okd s LEU 87 N 5.56 4.24 -0.07 5.67 1.43 -0.98 -4.43 118.68 130.10 1okd s LEU 87 Ca 0.44 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1okd s LEU 87 Cb -0.16 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 1okd s LEU 87 CO 0.78 -0.32 -0.16 0.00 0.23 0.00 0.00 176.35 176.88 1okd s ALA 88 N 1.68 2.56 0.07 4.21 0.00 -1.26 -2.19 121.76 126.83 1okd s ALA 88 Ca 0.41 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 1okd s ALA 88 Cb -0.18 -0.97 -0.09 0.00 0.00 0.00 0.00 23.12 21.88 1okd s ALA 88 CO 0.16 0.45 1.80 0.08 0.00 0.00 0.00 175.76 178.25 1okd s VAL 89 N -0.35 2.91 0.77 0.00 1.01 -1.26 -0.73 120.40 122.76 1okd s VAL 89 Ca 0.03 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 1okd s VAL 89 Cb -0.12 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.17 1okd s VAL 89 CO 0.02 -0.01 1.20 -0.81 0.00 0.00 0.00 175.10 175.50 1okd n PRO 90 N 6.32 0.38 -0.00 2.72 -0.04 -1.26 -4.84 135.00 138.27 1okd n PRO 90 Ca 0.18 0.20 0.23 0.00 -0.04 0.00 0.00 63.50 64.07 1okd n PRO 90 Cb 0.40 -2.44 0.71 0.00 -0.04 0.00 0.00 33.50 32.13 1okd n PRO 90 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1okd h PHE 91 N -0.59 0.00 -0.94 0.54 3.57 -2.01 -0.47 116.94 117.03 1okd h PHE 91 Ca -0.47 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.22 1okd h PHE 91 Cb 1.31 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.97 1okd h PHE 91 CO 0.45 0.00 0.61 0.00 -2.23 0.00 0.00 178.31 177.13 1okd h ALA 92 N 1.39 1.97 -1.11 2.41 0.00 -2.01 -2.49 119.26 119.43 1okd h ALA 92 Ca 0.28 0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.68 1okd h ALA 92 Cb 1.44 -0.06 -0.42 0.00 0.00 0.00 0.00 17.79 18.74 1okd h ALA 92 CO -0.00 -0.29 -0.81 1.04 0.00 0.00 0.00 179.25 179.20 1okd n GLN 93 N -4.60 3.36 0.14 0.00 1.13 -0.19 -4.76 117.38 112.46 1okd n GLN 93 Ca 0.21 -4.27 0.00 0.00 -1.94 0.00 0.00 57.00 51.00 1okd n GLN 93 Cb 0.63 -2.20 0.19 0.00 0.11 0.00 0.00 30.24 28.97 1okd n GLN 93 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1okd h SER 94 N 2.42 0.00 -0.88 1.08 0.02 -1.49 -3.05 113.55 111.64 1okd h SER 94 Ca 0.30 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.40 1okd h SER 94 Cb 1.22 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.69 1okd h SER 94 CO 0.77 0.58 0.57 -0.08 -1.14 0.00 0.00 176.83 177.53 1okd h GLU 95 N 0.00 0.64 -0.84 3.45 4.81 -1.86 0.12 114.58 120.90 1okd h GLU 95 Ca -0.01 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1okd h GLU 95 Cb 1.10 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1okd h GLU 95 CO 0.08 0.43 0.55 0.00 -0.73 0.00 0.00 179.01 179.33 1okd h ALA 96 N 1.60 1.69 -0.27 2.92 0.00 -1.88 -0.42 119.26 122.90 1okd h ALA 96 Ca 0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 1okd h ALA 96 Cb 0.75 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1okd h ALA 96 CO -0.20 0.14 0.01 0.28 0.00 0.00 0.00 179.25 179.47 1okd h VAL 97 N 0.82 1.16 -0.11 0.00 2.07 -0.92 1.70 116.25 120.97 1okd h VAL 97 Ca 0.39 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 1okd h VAL 97 Cb 0.42 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1okd h VAL 97 CO -0.16 0.22 -0.44 1.56 0.02 0.00 0.00 177.57 178.77 1okd h GLN 98 N 0.40 0.49 0.21 1.57 4.20 -1.03 -2.24 115.11 118.70 1okd h GLN 98 Ca 0.09 -0.38 -0.33 0.00 0.06 0.00 0.00 58.65 58.09 1okd h GLN 98 Cb 0.26 0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.13 1okd h GLN 98 CO 0.01 1.01 -1.51 0.87 -0.67 0.00 0.00 178.83 178.54 1okd h LYS 99 N 0.07 0.45 0.00 1.46 6.56 -1.14 -3.30 116.57 120.68 1okd h LYS 99 Ca -0.02 -0.77 -0.05 0.00 -1.06 0.00 0.00 60.65 58.75 1okd h LYS 99 Cb 1.08 0.29 -0.01 0.00 -0.57 0.00 0.00 32.23 33.02 1okd h LYS 99 CO 0.09 1.36 -0.22 1.25 -2.06 0.00 0.00 179.45 179.88 1okd h LEU 100 N 0.12 0.00 -0.25 2.94 5.85 0.24 -2.81 115.31 121.40 1okd h LEU 100 Ca -0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1okd h LEU 100 Cb 2.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.14 1okd h LEU 100 CO 0.24 0.22 0.17 0.77 -0.34 0.00 0.00 178.44 179.49 1okd h SER 101 N 0.00 0.29 -0.15 1.25 4.64 -1.47 0.13 113.55 118.24 1okd h SER 101 Ca -0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1okd h SER 101 Cb 0.44 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1okd h SER 101 CO 0.03 0.22 0.05 0.50 -0.87 0.00 0.00 176.83 176.76 1okd h LYS 102 N 0.34 0.24 0.00 4.77 3.64 -1.62 0.74 116.57 124.67 1okd h LYS 102 Ca 0.09 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1okd h LYS 102 Cb -0.03 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1okd h LYS 102 CO -0.02 0.35 -0.08 0.45 -2.27 0.00 0.00 179.45 177.89 1okd h HIS 103 N 0.07 0.00 -0.36 1.91 3.86 -1.34 -0.72 115.15 118.57 1okd h HIS 103 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1okd h HIS 103 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1okd h HIS 103 CO -0.00 0.08 0.00 1.19 0.86 0.00 0.00 177.93 180.05 1okd n PHE 104 N -4.03 1.18 -2.36 2.45 3.01 0.44 -4.88 117.46 113.27 1okd n PHE 104 Ca -0.03 -0.42 -0.18 0.00 1.01 0.00 0.00 57.45 57.83 1okd n PHE 104 Cb 0.16 -0.31 -0.01 0.00 -0.01 0.00 0.00 39.48 39.31 1okd n PHE 104 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1okd n ASN 105 N 0.43 -5.23 -4.43 4.37 4.05 -0.28 -4.91 115.26 109.26 1okd n ASN 105 Ca 0.17 0.08 -0.44 0.00 0.45 0.00 0.00 54.58 54.84 1okd n ASN 105 Cb 0.77 -4.39 -0.04 0.00 1.23 0.00 0.00 39.78 37.34 1okd n ASN 105 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1okd s VAL 106 N -2.88 4.48 -0.02 3.44 1.01 0.25 -4.84 120.40 121.84 1okd s VAL 106 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.47 1okd s VAL 106 Cb 0.00 -4.64 -0.23 0.00 0.00 0.00 0.00 36.38 31.51 1okd s VAL 106 CO 0.00 -1.37 0.73 -0.08 0.00 0.00 0.00 175.10 174.38 1okd h GLU 107 N 9.42 0.02 -2.19 2.72 4.57 -1.91 -3.38 114.58 123.83 1okd h GLU 107 Ca -0.26 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 57.82 1okd h GLU 107 Cb 1.07 0.01 -0.19 0.00 -0.16 0.00 0.00 28.75 29.49 1okd h GLU 107 CO 1.16 0.61 0.14 -1.12 -1.18 0.00 0.00 179.01 178.61 1okd s SER 108 N -6.24 -0.60 0.28 1.04 0.01 -1.26 -5.14 113.70 101.79 1okd s SER 108 Ca -0.05 0.60 0.05 0.00 1.31 0.00 0.00 55.95 57.85 1okd s SER 108 Cb 0.08 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.80 1okd s SER 108 CO 0.82 -0.62 0.41 0.27 0.41 0.00 0.00 173.24 174.54 1okd s ILE 109 N -1.38 4.96 0.32 1.44 -0.00 -1.26 -4.41 121.20 120.86 1okd s ILE 109 Ca -0.10 -0.93 -0.15 0.00 -0.00 0.00 0.00 60.65 59.47 1okd s ILE 109 Cb -0.01 -3.75 -0.09 0.00 -0.00 0.00 0.00 42.46 38.61 1okd s ILE 109 CO 0.08 -0.32 0.73 -2.16 -0.00 0.00 0.00 174.94 173.28 1okd s PRO 110 N -4.07 4.01 0.24 0.37 0.05 -1.26 -5.04 135.00 129.30 1okd s PRO 110 Ca 0.37 0.67 -0.02 0.00 0.05 0.00 0.00 61.00 62.08 1okd s PRO 110 Cb -0.09 -2.44 -0.03 0.00 0.05 0.00 0.00 34.50 31.99 1okd s PRO 110 CO 0.30 0.16 0.24 -0.08 0.05 0.00 0.00 177.00 177.68 1okd s THR 111 N -1.97 0.00 -0.12 1.26 -1.32 -0.91 -5.00 115.64 107.58 1okd s THR 111 Ca 0.54 -1.87 -0.05 0.00 -1.21 0.00 0.00 61.69 59.09 1okd s THR 111 Cb -0.10 -2.47 0.06 0.00 -1.51 0.00 0.00 72.50 68.48 1okd s THR 111 CO 0.17 0.00 0.27 -0.22 -2.21 0.00 0.00 174.62 172.64 1okd s LEU 112 N -3.18 0.06 0.01 9.08 2.96 -1.26 -1.99 118.68 124.37 1okd s LEU 112 Ca 0.36 0.60 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1okd s LEU 112 Cb 0.04 0.79 -0.01 0.00 0.50 0.00 0.00 46.19 47.51 1okd s LEU 112 CO 0.15 -0.20 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.24 1okd s ILE 113 N 1.76 0.90 -0.08 6.68 1.01 -1.01 -1.07 121.20 129.38 1okd s ILE 113 Ca -0.05 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1okd s ILE 113 Cb -0.11 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1okd s ILE 113 CO -0.09 0.10 -0.11 -0.83 0.00 0.00 0.00 174.94 174.01 1okd s GLY 114 N -0.67 1.60 0.03 6.18 0.00 -0.96 0.08 107.32 113.59 1okd s GLY 114 Ca 0.02 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1okd s GLY 114 CO 0.00 -0.55 -0.10 -1.34 0.00 0.00 0.00 173.10 171.11 1okd s VAL 115 N -0.44 0.80 -0.34 1.40 -7.23 -0.31 -2.19 120.40 112.09 1okd s VAL 115 Ca 0.06 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.23 1okd s VAL 115 Cb -0.12 -0.76 0.02 0.00 0.56 0.00 0.00 36.38 36.07 1okd s VAL 115 CO 0.02 -0.12 0.16 -1.81 -0.31 0.00 0.00 175.10 173.05 1okd s ASP 116 N -1.14 5.55 0.11 4.85 1.01 -1.22 0.13 116.67 125.96 1okd s ASP 116 Ca -0.02 -0.83 -0.24 0.00 0.71 0.00 0.00 52.55 52.17 1okd s ASP 116 Cb -0.08 -1.98 -0.10 0.00 1.01 0.00 0.00 42.92 41.78 1okd s ASP 116 CO 0.01 -0.29 1.69 0.00 0.21 0.00 0.00 175.17 176.78 1okd h ALA 117 N 8.36 -0.19 0.59 5.23 0.00 -1.69 0.44 119.26 132.00 1okd h ALA 117 Ca -0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1okd h ALA 117 Cb 1.12 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1okd h ALA 117 CO 0.64 -0.64 -0.36 0.38 0.00 0.00 0.00 179.25 179.27 1okd h ASP 118 N -0.24 -0.91 -0.62 0.00 2.03 -1.89 -3.04 116.42 111.75 1okd h ASP 118 Ca 0.03 0.05 0.03 0.00 -0.73 0.00 0.00 57.03 56.41 1okd h ASP 118 Cb 0.27 0.27 -0.04 0.00 -0.83 0.00 0.00 39.33 39.00 1okd h ASP 118 CO -0.09 -0.57 0.37 -1.28 -1.03 0.00 0.00 179.24 176.65 1okd h SER 119 N -0.90 0.61 0.00 4.15 0.87 -1.94 -3.45 113.55 112.88 1okd h SER 119 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1okd h SER 119 Cb 0.73 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1okd h SER 119 CO 0.07 0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.41 1okd n GLY 120 N -1.27 0.15 0.00 5.77 0.00 0.15 -4.82 105.19 105.18 1okd n GLY 120 Ca 0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1okd n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1okd n ASP 121 N 0.00 0.00 -4.68 1.61 5.75 -1.26 -3.67 116.55 114.31 1okd n ASP 121 Ca 0.00 -0.67 -0.44 0.00 -0.01 0.00 0.00 54.79 53.67 1okd n ASP 121 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 1okd n ASP 121 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1okd n VAL 122 N -1.26 1.29 -0.03 2.12 0.31 -1.26 -3.40 118.33 116.10 1okd n VAL 122 Ca 0.00 -0.32 0.04 0.00 -0.01 0.00 0.00 64.34 64.04 1okd n VAL 122 Cb 0.00 -1.50 -0.13 0.00 -0.91 0.00 0.00 33.84 31.30 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 1.40 0.33 -3.75 2.52 0.31 -0.93 -4.91 118.33 113.31 1okd n VAL 123 Ca 0.09 -0.47 -0.13 0.00 -0.01 0.00 0.00 64.34 63.82 1okd n VAL 123 Cb 0.33 -0.10 -0.10 0.00 -0.91 0.00 0.00 33.84 33.06 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 -2.93 0.02 -0.15 2.52 -1.32 -1.09 -3.73 115.64 108.96 1okd s THR 124 Ca -0.07 -0.17 0.14 0.00 -1.21 0.00 0.00 61.69 60.38 1okd s THR 124 Cb 0.09 -0.56 0.36 0.00 -1.51 0.00 0.00 72.50 70.89 1okd s THR 124 CO 0.69 -0.10 1.18 0.35 -2.21 0.00 0.00 174.62 174.54 1okd n THR 125 N 2.26 1.77 -2.59 5.08 -2.24 -1.26 -2.27 114.28 115.03 1okd n THR 125 Ca -0.16 -2.57 -0.12 0.00 -2.27 0.00 0.00 64.05 58.92 1okd n THR 125 Cb 0.57 -0.07 0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1okd n THR 125 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1okd n ARG 126 N -0.98 2.07 0.01 -0.78 3.00 -1.26 -4.84 116.66 113.89 1okd n ARG 126 Ca 0.16 -3.69 0.14 0.00 -0.01 0.00 0.00 57.85 54.45 1okd n ARG 126 Cb 0.73 -1.67 0.57 0.00 0.00 0.00 0.00 32.46 32.09 1okd n ARG 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1okd n ALA 127 N -0.37 2.38 0.03 7.54 0.00 -0.23 -2.62 120.51 127.23 1okd n ALA 127 Ca 0.19 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 1okd n ALA 127 Cb 0.80 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 1okd n ALA 127 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1okd h ARG 128 N 0.00 0.53 0.01 0.00 -0.00 -1.86 -2.62 114.38 110.44 1okd h ARG 128 Ca 0.00 -0.44 -0.12 0.00 -0.00 0.00 0.00 59.98 59.41 1okd h ARG 128 Cb 0.53 0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 30.58 1okd h ARG 128 CO 0.00 1.07 -0.66 0.00 -0.00 0.00 0.00 179.97 180.38 1okd h ALA 129 N 0.80 0.13 -0.24 0.08 0.00 -1.90 -3.37 119.26 114.76 1okd h ALA 129 Ca -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 54.91 54.03 1okd h ALA 129 Cb 1.36 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1okd h ALA 129 CO 0.14 0.37 0.06 1.79 0.00 0.00 0.00 179.25 181.61 1okd h THR 130 N -0.96 0.91 -0.87 0.00 1.35 -1.63 0.97 112.91 112.68 1okd h THR 130 Ca -0.18 -0.06 0.19 0.00 -0.55 0.00 0.00 66.41 65.82 1okd h THR 130 Cb 1.18 0.73 -0.06 0.00 -1.73 0.00 0.00 68.15 68.28 1okd h THR 130 CO -0.10 0.03 0.58 0.25 -0.25 0.00 0.00 175.52 176.03 1okd h LEU 131 N 0.16 0.38 0.11 3.87 6.46 -1.66 1.46 115.31 126.09 1okd h LEU 131 Ca 0.11 0.04 -0.35 0.00 -0.12 0.00 0.00 57.88 57.55 1okd h LEU 131 Cb 0.09 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1okd h LEU 131 CO -0.13 0.16 -1.94 0.58 -0.62 0.00 0.00 178.44 176.49 1okd h VAL 132 N 0.38 0.68 -0.60 1.05 2.07 -1.53 -3.38 116.25 114.92 1okd h VAL 132 Ca 0.44 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1okd h VAL 132 Cb 1.13 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1okd h VAL 132 CO -0.15 0.85 0.00 0.29 0.02 0.00 0.00 177.57 178.57 1okd n LYS 133 N -3.43 4.70 -3.05 1.57 4.76 0.33 -4.53 118.16 118.51 1okd n LYS 133 Ca -0.29 -3.12 -0.17 0.00 -2.87 0.00 0.00 58.31 51.86 1okd n LYS 133 Cb 1.05 -2.20 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1okd n LYS 133 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1okd n ASP 134 N 0.74 -0.58 -0.92 4.39 8.00 0.49 -4.87 116.55 123.80 1okd n ASP 134 Ca 0.28 -3.03 0.01 0.00 0.71 0.00 0.00 54.79 52.76 1okd n ASP 134 Cb 1.14 0.18 0.11 0.00 -0.02 0.00 0.00 41.12 42.53 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1okd n PRO 135 N 1.02 2.05 -0.06 -0.24 -0.04 -1.26 -3.58 135.00 132.89 1okd n PRO 135 Ca 0.18 -0.88 -0.06 0.00 -0.04 0.00 0.00 63.50 62.70 1okd n PRO 135 Cb 0.61 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.17 1.95 -2.53 0.54 1.02 -1.26 -5.02 120.64 115.52 1okd n GLU 136 Ca 0.08 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 1okd n GLU 136 Cb 0.54 -1.31 0.01 0.00 -0.02 0.00 0.00 31.44 30.65 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 2.23 0.15 0.10 0.62 0.00 -1.24 -4.94 105.19 102.11 1okd n GLY 137 Ca -0.19 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.52 0.00 -0.29 1.61 -0.00 -1.95 -3.38 114.58 110.05 1okd h GLU 138 Ca -0.22 0.00 -0.22 0.00 -0.00 0.00 0.00 59.36 58.92 1okd h GLU 138 Cb 1.16 0.00 -0.37 0.00 -0.00 0.00 0.00 28.75 29.53 1okd h GLU 138 CO 0.24 0.63 -1.02 1.04 -0.00 0.00 0.00 179.01 179.89 1okd n GLN 139 N -3.18 1.24 -0.31 1.06 1.13 -1.26 -4.97 117.38 111.09 1okd n GLN 139 Ca -0.04 -2.93 0.28 0.00 -1.94 0.00 0.00 57.00 52.38 1okd n GLN 139 Cb 0.87 -1.03 0.52 0.00 0.11 0.00 0.00 30.24 30.71 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 -0.38 1.04 1.11 1.08 -1.74 -1.26 0.35 117.46 117.66 1okd n PHE 140 Ca 0.04 1.14 0.02 0.00 -0.56 0.00 0.00 57.45 58.09 1okd n PHE 140 Cb 0.89 -1.49 0.12 0.00 1.52 0.00 0.00 39.48 40.52 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 -5.22 0.55 -0.55 3.97 -0.04 -1.26 -4.83 135.00 127.63 1okd n PRO 141 Ca 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1okd n PRO 141 Cb 1.16 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 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 -0.61 0.00 -1.42 0.54 8.01 1.09 -4.49 117.44 120.54 1okd n TRP 142 Ca 0.03 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.84 1okd n TRP 142 Cb 0.01 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.35 1okd n TRP 142 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1okd n LYS 143 N -0.12 0.45 0.00 -0.99 4.76 -1.26 -4.60 118.16 116.40 1okd n LYS 143 Ca 0.00 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1okd n LYS 143 Cb 0.00 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 1okd n LYS 143 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1okd n ASP 144 N 0.49 0.35 -3.89 4.39 2.03 -1.24 -5.03 116.55 113.65 1okd n ASP 144 Ca 0.11 -0.30 -0.34 0.00 0.52 0.00 0.00 54.79 54.77 1okd n ASP 144 Cb 0.48 0.67 0.01 0.00 -0.72 0.00 0.00 41.12 41.57 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1okd n ALA 145 N -0.71 -2.69 -1.27 -1.67 0.00 -1.26 -4.95 120.51 107.95 1okd n ALA 145 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 1okd n ALA 145 Cb 0.00 -1.88 0.22 0.00 0.00 0.00 0.00 19.45 17.79 1okd n ALA 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1okd n PRO 146 N -3.82 -2.46 -0.57 0.00 -0.04 -1.26 -4.66 135.00 122.18 1okd n PRO 146 Ca -0.20 -1.67 0.08 0.00 -0.04 0.00 0.00 63.50 61.67 1okd n PRO 146 Cb 0.62 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.64 1okd n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1okd n LEU 147 N 0.00 0.00 -4.56 1.53 4.77 -1.26 -4.14 117.00 113.34 1okd n LEU 147 Ca 0.14 0.61 -0.22 0.00 -0.03 0.00 0.00 56.01 56.52 1okd n LEU 147 Cb 0.53 -1.76 -0.06 0.00 -2.33 0.00 0.00 43.42 39.80 1okd n LEU 147 CO 0.37 -1.77 1.30 -1.61 -1.33 0.00 0.00 177.39 174.36 1okd s GLU 148 N -0.96 2.19 0.00 3.23 2.02 -1.26 -5.25 118.70 118.67 1okd s GLU 148 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1okd s GLU 148 Cb 0.00 -4.97 0.00 0.00 0.10 0.00 0.00 34.13 29.26 1okd s GLU 148 CO 0.00 -3.83 0.00 1.58 0.02 0.00 0.00 175.26 173.03