#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 0.53 -0.02 0.23 0.00 -1.84 -3.29 103.07 98.68 1okd h GLY 3 Ca 0.00 -1.25 0.25 0.00 0.00 0.00 0.00 47.33 46.33 1okd h GLY 3 CO 0.00 1.10 0.66 1.41 0.00 0.00 0.00 176.54 179.71 1okd h LEU 4 N 0.16 0.41 -0.59 3.11 -0.00 -1.87 -0.14 115.31 116.39 1okd h LEU 4 Ca -0.19 0.07 0.11 0.00 -0.00 0.00 0.00 57.88 57.87 1okd h LEU 4 Cb 2.01 -0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 42.58 1okd h LEU 4 CO 0.24 0.11 0.11 -0.78 -0.00 0.00 0.00 178.44 178.11 1okd h ASP 5 N 0.38 -0.03 0.59 -0.43 1.82 -1.86 0.51 116.42 117.40 1okd h ASP 5 Ca 0.56 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 1okd h ASP 5 Cb 1.45 0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.62 1okd h ASP 5 CO -0.25 -0.01 0.00 2.29 -1.61 0.00 0.00 179.24 179.67 1okd n LYS 6 N -5.15 0.30 -0.08 0.28 2.85 -0.09 -3.61 118.16 112.66 1okd n LYS 6 Ca 0.09 0.04 -0.11 0.00 -1.05 0.00 0.00 58.31 57.27 1okd n LYS 6 Cb 0.32 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.15 1okd n LYS 6 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1okd n TYR 7 N -1.33 0.96 0.01 5.58 4.02 0.15 -5.04 117.16 121.50 1okd n TYR 7 Ca 0.11 0.41 0.00 0.00 -0.01 0.00 0.00 57.90 58.42 1okd n TYR 7 Cb 0.23 -0.89 0.00 0.00 -0.02 0.00 0.00 39.34 38.66 1okd n TYR 7 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1okd n LEU 8 N -4.55 -0.14 -0.09 7.72 7.94 0.22 -4.69 117.00 123.42 1okd n LEU 8 Ca -0.16 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 1okd n LEU 8 Cb 0.41 0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.66 1okd n LEU 8 CO 0.13 -0.12 0.00 -2.65 -1.11 0.00 0.00 177.39 173.64 1okd n PRO 9 N -2.25 0.00 -1.65 1.96 -0.02 -1.19 -2.53 135.00 129.32 1okd n PRO 9 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 1okd n PRO 9 Cb 0.00 -1.00 0.07 0.00 -0.02 0.00 0.00 33.50 32.55 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 -0.31 6.06 3.53 -1.23 0.00 -1.24 -4.76 105.19 107.24 1okd n GLY 10 Ca 0.00 -2.33 -0.24 0.00 0.00 0.00 0.00 46.02 43.46 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 -4.33 2.80 0.00 -0.61 1.01 -1.05 -4.92 121.20 114.11 1okd s ILE 11 Ca 0.50 -2.23 0.00 0.00 0.00 0.00 0.00 60.65 58.92 1okd s ILE 11 Cb 0.42 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 40.39 1okd s ILE 11 CO 0.02 -0.38 0.00 -0.62 0.00 0.00 0.00 174.94 173.95 1okd n GLU 12 N -0.72 0.00 -3.86 2.79 4.71 -1.26 -4.68 120.64 117.62 1okd n GLU 12 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.00 1okd n GLU 12 Cb 0.60 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.98 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1okd s LYS 13 N -0.17 1.38 0.34 3.49 1.02 -1.26 -4.47 119.74 120.08 1okd s LYS 13 Ca 0.00 -1.04 0.07 0.00 0.02 0.00 0.00 55.97 55.03 1okd s LYS 13 Cb 0.00 0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 37.76 1okd s LYS 13 CO 0.00 -0.57 0.30 -0.51 -0.92 0.00 0.00 175.35 173.65 1okd s LEU 14 N -2.93 3.56 -0.55 3.17 1.43 -1.24 -4.55 118.68 117.56 1okd s LEU 14 Ca 0.14 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 1okd s LEU 14 Cb -0.00 -2.18 0.13 0.00 0.03 0.00 0.00 46.19 44.17 1okd s LEU 14 CO 0.01 -0.38 0.54 -0.13 0.23 0.00 0.00 176.35 176.62 1okd s ARG 15 N -4.00 3.01 0.87 1.70 1.81 0.31 -3.32 118.95 119.32 1okd s ARG 15 Ca 0.42 -1.66 -0.10 0.00 -1.72 0.00 0.00 55.73 52.67 1okd s ARG 15 Cb -0.05 -4.30 0.17 0.00 -0.45 0.00 0.00 34.95 30.32 1okd s ARG 15 CO 0.27 -1.37 1.20 0.50 -0.68 0.00 0.00 175.30 175.21 1okd s ARG 16 N 1.76 1.07 0.00 3.54 3.52 0.19 0.70 118.95 129.73 1okd s ARG 16 Ca 0.05 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 1okd s ARG 16 Cb -0.29 -2.03 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 1okd s ARG 16 CO 0.03 -2.03 0.09 0.41 -0.81 0.00 0.00 175.30 172.99 1okd n GLY 17 N -3.40 -1.71 0.25 8.12 0.00 -0.72 -3.49 105.19 104.24 1okd n GLY 17 Ca 0.15 0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.57 0.00 1.61 2.03 -1.93 -3.47 116.42 114.09 1okd h ASP 18 Ca 0.00 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1okd h ASP 18 Cb 0.00 0.40 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1okd h ASP 18 CO 0.00 -0.21 0.00 0.61 -1.03 0.00 0.00 179.24 178.61 1okd n GLY 19 N -1.44 3.25 3.94 7.15 0.00 -1.23 -5.17 105.19 111.69 1okd n GLY 19 Ca 0.09 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1okd n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1okd s GLU 20 N 3.24 3.49 0.12 1.61 -1.05 -1.26 0.53 118.70 125.37 1okd s GLU 20 Ca 0.00 -0.47 -0.06 0.00 -0.15 0.00 0.00 54.97 54.29 1okd s GLU 20 Cb 0.00 -2.82 -0.02 0.00 -0.44 0.00 0.00 34.13 30.86 1okd s GLU 20 CO 0.00 0.36 0.18 0.14 0.95 0.00 0.00 175.26 176.88 1okd s VAL 21 N -2.00 0.11 0.33 1.83 -7.23 -1.21 -4.86 120.40 107.37 1okd s VAL 21 Ca 0.37 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 1okd s VAL 21 Cb -0.10 -1.69 -0.11 0.00 0.56 0.00 0.00 36.38 35.04 1okd s VAL 21 CO 0.31 -0.52 1.47 -1.83 -0.31 0.00 0.00 175.10 174.22 1okd s GLU 22 N -3.95 4.19 0.53 4.82 -1.05 -1.26 -3.72 118.70 118.26 1okd s GLU 22 Ca 0.14 2.46 0.22 0.00 -0.15 0.00 0.00 54.97 57.63 1okd s GLU 22 Cb 0.05 -3.02 1.42 0.00 -0.44 0.00 0.00 34.13 32.14 1okd s GLU 22 CO -0.04 -0.47 2.14 0.28 0.95 0.00 0.00 175.26 178.13 1okd h VAL 23 N 3.17 0.82 -0.61 1.83 2.07 -1.89 -2.12 116.25 119.52 1okd h VAL 23 Ca -0.49 -0.20 0.18 0.00 0.82 0.00 0.00 66.70 67.01 1okd h VAL 23 Cb 1.23 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1okd h VAL 23 CO 0.70 0.05 0.56 0.11 0.02 0.00 0.00 177.57 179.01 1okd h LYS 24 N 0.00 0.00 0.00 1.57 6.56 -1.95 0.22 116.57 122.98 1okd h LYS 24 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1okd h LYS 24 Cb 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1okd h LYS 24 CO 0.01 0.00 0.00 1.03 -2.06 0.00 0.00 179.45 178.43 1okd h SER 25 N 0.00 0.00 -1.57 0.86 0.87 -1.76 -2.14 113.55 109.81 1okd h SER 25 Ca 0.29 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 60.18 1okd h SER 25 Cb 1.40 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 63.02 1okd h SER 25 CO -0.00 0.00 0.17 0.18 -0.53 0.00 0.00 176.83 176.65 1okd n LEU 26 N -2.37 6.22 -4.14 2.23 4.77 0.79 -4.91 117.00 119.59 1okd n LEU 26 Ca -0.02 -4.91 -0.38 0.00 -0.03 0.00 0.00 56.01 50.67 1okd n LEU 26 Cb 0.05 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 40.30 1okd n LEU 26 CO 0.11 1.94 0.08 0.00 -1.33 0.00 0.00 177.39 178.20 1okd s ALA 27 N -3.80 3.62 0.00 -1.18 0.00 -0.81 -4.59 121.76 115.01 1okd s ALA 27 Ca 0.52 -3.18 0.00 0.00 0.00 0.00 0.00 51.96 49.30 1okd s ALA 27 Cb 0.43 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1okd s ALA 27 CO -0.24 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 173.84 1okd n GLY 28 N 3.73 0.69 3.43 0.00 0.00 -1.26 -4.98 105.19 106.79 1okd n GLY 28 Ca 0.07 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.72 0.88 -0.48 1.61 -2.85 -1.26 -4.91 119.74 112.01 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 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 1okd s LYS 29 CO 0.00 -0.24 1.97 -1.17 0.10 0.00 0.00 175.35 176.00 1okd s LEU 30 N -0.99 3.39 -0.44 2.77 2.96 -1.26 -3.51 118.68 121.60 1okd s LEU 30 Ca -0.10 0.86 -0.21 0.00 -0.22 0.00 0.00 54.13 54.47 1okd s LEU 30 Cb -0.02 -2.88 0.02 0.00 0.50 0.00 0.00 46.19 43.81 1okd s LEU 30 CO 0.07 -2.25 0.63 -0.69 -1.32 0.00 0.00 176.35 172.79 1okd s VAL 31 N 8.97 4.84 0.55 1.68 1.01 0.07 -3.05 120.40 134.47 1okd s VAL 31 Ca 0.79 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.80 1okd s VAL 31 Cb -0.18 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1okd s VAL 31 CO 0.26 -0.59 0.87 -0.36 0.00 0.00 0.00 175.10 175.29 1okd s PHE 32 N 2.78 3.42 -0.22 5.22 0.08 -0.81 -1.61 117.98 126.85 1okd s PHE 32 Ca 0.22 0.79 -0.04 0.00 0.12 0.00 0.00 56.93 58.01 1okd s PHE 32 Cb -0.14 -2.56 0.08 0.00 -0.57 0.00 0.00 43.02 39.83 1okd s PHE 32 CO 0.19 -0.58 0.12 -0.06 -0.10 0.00 0.00 175.22 174.78 1okd s PHE 33 N -2.91 0.17 -0.45 0.36 0.08 2.51 -0.72 117.98 117.03 1okd s PHE 33 Ca 0.51 -0.45 -0.19 0.00 0.12 0.00 0.00 56.93 56.92 1okd s PHE 33 Cb -0.10 -0.73 0.03 0.00 -0.57 0.00 0.00 43.02 41.65 1okd s PHE 33 CO 0.46 -0.64 0.57 -0.47 -0.10 0.00 0.00 175.22 175.04 1okd s TYR 34 N 2.15 3.10 -0.13 0.36 6.14 1.34 -2.50 117.35 127.81 1okd s TYR 34 Ca 0.05 -0.27 -0.21 0.00 0.64 0.00 0.00 57.07 57.28 1okd s TYR 34 Cb -0.16 -3.23 -0.03 0.00 0.42 0.00 0.00 41.96 38.95 1okd s TYR 34 CO -0.19 -0.85 0.63 -0.06 0.64 0.00 0.00 175.55 175.72 1okd s PHE 35 N 2.55 3.49 0.03 4.97 0.40 -1.03 0.11 117.98 128.50 1okd s PHE 35 Ca 0.17 1.07 -0.27 0.00 -0.60 0.00 0.00 56.93 57.30 1okd s PHE 35 Cb -0.16 -2.76 0.09 0.00 0.51 0.00 0.00 43.02 40.70 1okd s PHE 35 CO 0.16 0.00 1.23 -1.12 0.70 0.00 0.00 175.22 176.19 1okd s SER 36 N 0.91 0.00 0.09 1.36 0.01 -0.12 -3.42 113.70 112.53 1okd s SER 36 Ca 0.32 -0.31 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 1okd s SER 36 Cb -0.16 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 1okd s SER 36 CO 0.14 -0.46 -0.02 0.00 0.41 0.00 0.00 173.24 173.31 1okd s ALA 37 N -2.06 0.78 -2.00 1.44 0.00 -1.26 0.11 121.76 118.76 1okd s ALA 37 Ca 0.27 -1.33 0.29 0.00 0.00 0.00 0.00 51.96 51.19 1okd s ALA 37 Cb -0.01 0.39 1.24 0.00 0.00 0.00 0.00 23.12 24.75 1okd s ALA 37 CO 0.01 -0.36 1.86 0.43 0.00 0.00 0.00 175.76 177.70 1okd n SER 38 N -0.00 0.78 0.00 0.00 7.64 -1.26 -3.94 113.62 116.83 1okd n SER 38 Ca -0.11 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1okd n SER 38 Cb 0.62 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1okd n SER 38 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1okd n TRP 39 N -0.56 0.00 -0.73 1.43 4.27 -1.26 -5.02 117.44 115.56 1okd n TRP 39 Ca 0.17 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.46 1okd n TRP 39 Cb 0.28 0.00 0.15 0.00 -1.36 0.00 0.00 31.31 30.38 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 -1.84 0.35 0.00 0.00 0.11 -1.98 -3.40 132.00 125.24 1okd h PRO 41 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1okd h PRO 41 Cb 1.34 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1okd h PRO 41 CO 0.36 0.23 0.00 -0.35 -0.21 0.00 0.00 178.00 178.03 1okd n PRO 42 N -4.94 0.00 -1.53 1.05 -0.04 -1.26 -4.98 135.00 123.29 1okd n PRO 42 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1okd n PRO 42 Cb 0.09 -0.20 0.01 0.00 -0.04 0.00 0.00 33.50 33.36 1okd n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1okd n ARG 44 N 0.16 0.00 -3.60 0.00 3.00 -1.26 -4.99 116.66 109.96 1okd n ARG 44 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.61 1okd n ARG 44 Cb 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 32.46 32.58 1okd n ARG 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1okd s GLY 45 N -1.88 2.16 -1.33 5.14 0.00 -1.26 -4.53 107.32 105.62 1okd s GLY 45 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.95 1okd s GLY 45 CO 0.00 -1.76 0.00 0.33 0.00 0.00 0.00 173.10 171.67 1okd n PHE 46 N -1.65 0.00 -0.04 1.90 7.35 -1.26 -4.86 117.46 118.89 1okd n PHE 46 Ca 0.03 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.51 1okd n PHE 46 Cb 0.62 -2.62 -0.13 0.00 0.35 0.00 0.00 39.48 37.70 1okd n PHE 46 CO 0.00 0.00 0.00 -2.37 -0.76 0.00 0.00 176.76 173.63 1okd n THR 47 N -2.40 1.68 1.51 -2.13 5.66 -1.26 -4.20 114.28 113.14 1okd n THR 47 Ca -0.13 -0.42 0.07 0.00 -3.05 0.00 0.00 64.05 60.53 1okd n THR 47 Cb 0.53 -1.84 0.29 0.00 -1.55 0.00 0.00 70.33 67.76 1okd n THR 47 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1okd n PRO 48 N -3.85 1.40 0.09 1.09 -0.04 -1.26 -3.71 135.00 128.72 1okd n PRO 48 Ca -0.33 -0.61 -0.13 0.00 -0.04 0.00 0.00 63.50 62.39 1okd n PRO 48 Cb 0.91 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 33.04 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 1.12 0.28 -0.04 0.54 1.08 -1.97 -2.54 115.11 113.58 1okd h GLN 49 Ca 0.00 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 56.83 1okd h GLN 49 Cb 0.25 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1okd h GLN 49 CO 0.00 1.10 -0.01 1.25 -0.95 0.00 0.00 178.83 180.22 1okd h LEU 50 N 0.13 0.07 -0.19 1.46 7.12 -1.80 -0.99 115.31 121.11 1okd h LEU 50 Ca -0.09 -0.37 -0.02 0.00 0.13 0.00 0.00 57.88 57.53 1okd h LEU 50 Cb 1.72 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.82 1okd h LEU 50 CO 0.17 0.43 0.06 0.40 -0.13 0.00 0.00 178.44 179.36 1okd h ILE 51 N -0.28 1.19 0.08 4.05 2.04 -1.76 0.71 117.51 123.54 1okd h ILE 51 Ca 0.01 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1okd h ILE 51 Cb 0.40 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1okd h ILE 51 CO 0.00 0.19 -0.05 -0.33 0.00 0.00 0.00 178.15 177.97 1okd h GLU 52 N 0.13 -0.12 0.61 2.37 5.08 -1.50 0.55 114.58 121.71 1okd h GLU 52 Ca 0.06 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1okd h GLU 52 Cb 0.25 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1okd h GLU 52 CO -0.00 -0.08 -0.29 0.35 -1.00 0.00 0.00 179.01 177.99 1okd h PHE 53 N -0.12 -0.76 -0.35 4.33 3.57 -1.12 -2.66 116.94 119.82 1okd h PHE 53 Ca -0.01 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.55 1okd h PHE 53 Cb 0.10 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 1okd h PHE 53 CO -0.08 -0.43 -0.26 -0.92 -2.23 0.00 0.00 178.31 174.38 1okd h TYR 54 N -0.95 -0.70 -0.29 0.41 3.20 0.54 0.13 116.97 119.30 1okd h TYR 54 Ca -0.08 0.05 0.09 0.00 3.14 0.00 0.00 58.73 61.92 1okd h TYR 54 Cb 0.67 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1okd h TYR 54 CO -0.01 -0.34 0.28 -0.44 -1.64 0.00 0.00 178.16 176.01 1okd h ASP 55 N -0.22 0.00 0.33 -2.11 5.19 0.12 1.23 116.42 120.97 1okd h ASP 55 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1okd h ASP 55 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1okd h ASP 55 CO -0.48 0.00 -0.97 0.29 -3.12 0.00 0.00 179.24 174.96 1okd n LYS 56 N -3.95 0.19 0.00 3.56 5.02 0.28 -4.46 118.16 118.80 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 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1okd n LYS 56 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1okd n PHE 57 N -1.80 0.00 0.18 2.13 1.16 -0.13 -4.79 117.46 114.20 1okd n PHE 57 Ca 0.03 -0.04 0.04 0.00 -1.87 0.00 0.00 57.45 55.61 1okd n PHE 57 Cb 0.40 -0.00 0.28 0.00 -1.61 0.00 0.00 39.48 38.55 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 -1.87 0.00 0.00 176.76 176.01 1okd h HIS 58 N 0.00 0.00 0.00 2.97 2.07 0.13 -2.49 115.15 117.83 1okd h HIS 58 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1okd h HIS 58 Cb 0.43 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.41 1okd h HIS 58 CO 0.00 0.43 -0.03 1.05 -3.07 0.00 0.00 177.93 176.31 1okd h GLU 59 N 0.00 0.00 0.04 5.12 4.11 -1.85 -2.78 114.58 119.22 1okd h GLU 59 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1okd h GLU 59 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1okd h GLU 59 CO 0.06 0.87 -0.02 0.66 0.07 0.00 0.00 179.01 180.64 1okd h SER 60 N -1.00 -0.05 0.34 3.06 4.64 -1.88 -3.27 113.55 115.39 1okd h SER 60 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1okd h SER 60 Cb 0.88 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1okd h SER 60 CO -0.00 -0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.23 1okd n LYS 61 N -2.26 0.15 -3.65 4.77 5.02 -0.94 -4.91 118.16 116.33 1okd n LYS 61 Ca -0.01 0.52 -0.26 0.00 -2.02 0.00 0.00 58.31 56.55 1okd n LYS 61 Cb 0.02 -1.88 0.01 0.00 -0.02 0.00 0.00 35.03 33.16 1okd n LYS 61 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1okd n ASN 62 N -2.18 -5.30 -4.35 4.39 6.94 -1.05 -4.92 115.26 108.78 1okd n ASN 62 Ca 0.00 -0.68 -0.20 0.00 -0.02 0.00 0.00 54.58 53.69 1okd n ASN 62 Cb 0.12 -2.05 -0.10 0.00 -2.36 0.00 0.00 39.78 35.40 1okd n ASN 62 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1okd s PHE 63 N -2.64 1.75 -0.01 -2.53 0.08 -1.25 -4.66 117.98 108.73 1okd s PHE 63 Ca 0.09 -1.09 0.03 0.00 0.12 0.00 0.00 56.93 56.08 1okd s PHE 63 Cb -0.01 -1.09 -0.01 0.00 -0.57 0.00 0.00 43.02 41.34 1okd s PHE 63 CO 0.88 -0.18 -0.09 -2.00 -0.10 0.00 0.00 175.22 173.73 1okd s GLU 64 N -3.94 0.75 -0.16 0.44 2.56 -1.17 -4.83 118.70 112.35 1okd s GLU 64 Ca 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 54.97 54.99 1okd s GLU 64 Cb 0.08 -0.72 -0.02 0.00 2.00 0.00 0.00 34.13 35.47 1okd s GLU 64 CO 0.15 0.18 -0.07 0.08 -0.56 0.00 0.00 175.26 175.04 1okd s VAL 65 N -0.15 3.46 -0.03 3.70 1.01 -1.26 -1.92 120.40 125.20 1okd s VAL 65 Ca 0.03 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1okd s VAL 65 Cb -0.04 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1okd s VAL 65 CO -0.00 0.49 -0.05 -0.69 0.00 0.00 0.00 175.10 174.84 1okd s VAL 66 N 0.62 3.80 -0.40 2.92 1.01 0.10 -2.45 120.40 126.00 1okd s VAL 66 Ca -0.04 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1okd s VAL 66 Cb -0.15 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.64 1okd s VAL 66 CO 0.03 0.49 0.28 0.12 0.00 0.00 0.00 175.10 176.02 1okd s PHE 67 N -0.93 3.24 -0.34 5.22 5.36 -0.47 -0.38 117.98 129.69 1okd s PHE 67 Ca 0.15 -0.67 -0.25 0.00 -0.96 0.00 0.00 56.93 55.20 1okd s PHE 67 Cb -0.11 -2.56 0.01 0.00 -0.34 0.00 0.00 43.02 40.02 1okd s PHE 67 CO 0.05 -0.60 0.88 0.00 -1.46 0.00 0.00 175.22 174.09 1okd s THR 69 N 3.27 4.26 -0.10 0.00 -1.32 -1.26 -0.94 115.64 119.55 1okd s THR 69 Ca 0.36 0.94 0.24 0.00 -1.21 0.00 0.00 61.69 62.02 1okd s THR 69 Cb -0.13 -3.59 0.46 0.00 -1.51 0.00 0.00 72.50 67.73 1okd s THR 69 CO 0.16 -0.76 1.15 0.79 -2.21 0.00 0.00 174.62 173.75 1okd n TRP 70 N -2.24 0.50 -3.03 9.09 7.02 0.29 -4.70 117.44 124.37 1okd n TRP 70 Ca 0.07 -1.14 -0.18 0.00 -1.02 0.00 0.00 57.50 55.23 1okd n TRP 70 Cb 0.54 -0.19 0.03 0.00 -2.42 0.00 0.00 31.31 29.27 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 -2.71 5.42 -0.08 -0.99 1.11 -1.26 -4.71 116.67 113.45 1okd s ASP 71 Ca 0.32 -0.60 0.10 0.00 0.18 0.00 0.00 52.55 52.55 1okd s ASP 71 Cb 0.37 -0.26 -0.14 0.00 1.07 0.00 0.00 42.92 43.96 1okd s ASP 71 CO -0.12 -1.00 0.08 1.21 1.18 0.00 0.00 175.17 176.52 1okd n GLU 72 N -2.01 1.86 -4.04 8.23 0.00 -1.26 -4.97 120.64 118.45 1okd n GLU 72 Ca 0.11 -0.03 -0.35 0.00 0.00 0.00 0.00 57.16 56.90 1okd n GLU 72 Cb 0.60 -1.26 -0.10 0.00 0.00 0.00 0.00 31.44 30.68 1okd n GLU 72 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1okd s GLU 73 N -2.37 3.87 0.19 5.31 2.12 -1.26 -5.00 118.70 121.56 1okd s GLU 73 Ca -0.05 -0.34 -0.12 0.00 0.36 0.00 0.00 54.97 54.82 1okd s GLU 73 Cb 0.04 -3.17 0.14 0.00 0.26 0.00 0.00 34.13 31.40 1okd s GLU 73 CO 0.43 0.33 1.84 1.05 -0.54 0.00 0.00 175.26 178.37 1okd h GLU 74 N 6.50 0.75 -0.77 4.30 9.09 -2.00 -2.64 114.58 129.82 1okd h GLU 74 Ca -0.38 -0.05 0.09 0.00 0.05 0.00 0.00 59.36 59.07 1okd h GLU 74 Cb 1.17 -0.17 -0.07 0.00 -1.65 0.00 0.00 28.75 28.03 1okd h GLU 74 CO 0.69 0.50 0.43 -0.44 0.05 0.00 0.00 179.01 180.23 1okd h ASP 75 N 0.78 0.61 0.54 3.06 5.19 -1.98 -0.03 116.42 124.58 1okd h ASP 75 Ca 0.24 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.68 1okd h ASP 75 Cb -0.01 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 1okd h ASP 75 CO -0.09 0.36 -0.30 1.23 -3.12 0.00 0.00 179.24 177.32 1okd h GLY 76 N 0.74 -0.83 2.00 2.75 0.00 -1.90 -1.38 103.07 104.44 1okd h GLY 76 Ca 0.37 0.33 -0.02 0.00 0.00 0.00 0.00 47.33 48.00 1okd h GLY 76 CO -0.24 -0.30 -0.12 -2.75 0.00 0.00 0.00 176.54 173.13 1okd h PHE 77 N -0.79 0.00 0.18 5.60 3.57 -1.39 -3.03 116.94 121.09 1okd h PHE 77 Ca -0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1okd h PHE 77 Cb 0.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1okd h PHE 77 CO -0.07 0.12 -0.09 0.00 -2.23 0.00 0.00 178.31 176.03 1okd h ALA 78 N 1.88 -0.25 0.00 2.41 0.00 -0.60 -2.62 119.26 120.09 1okd h ALA 78 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1okd h ALA 78 Cb 0.26 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1okd h ALA 78 CO 0.02 -0.41 0.12 0.41 0.00 0.00 0.00 179.25 179.39 1okd n GLY 79 N 0.08 -0.74 0.12 0.00 0.00 -0.56 0.63 105.19 104.73 1okd n GLY 79 Ca -0.09 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.20 1okd n GLY 79 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1okd h TYR 80 N 0.00 0.00 0.00 1.61 3.20 -1.38 -3.33 116.97 117.08 1okd h TYR 80 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1okd h TYR 80 Cb 0.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1okd h TYR 80 CO 0.00 0.05 0.00 0.34 -1.64 0.00 0.00 178.16 176.91 1okd n PHE 81 N -2.72 0.56 0.94 -3.82 -0.00 0.21 -3.33 117.46 109.30 1okd n PHE 81 Ca -0.01 0.17 0.13 0.00 -0.00 0.00 0.00 57.45 57.74 1okd n PHE 81 Cb 0.57 -0.77 0.58 0.00 -0.00 0.00 0.00 39.48 39.86 1okd n PHE 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1okd n ALA 82 N -1.67 2.24 -0.00 3.13 0.00 -1.21 -3.66 120.51 119.34 1okd n ALA 82 Ca 0.06 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1okd n ALA 82 Cb 0.38 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 0.29 -3.40 0.00 5.02 -1.21 -4.99 118.16 112.37 1okd n LYS 83 Ca 0.07 -0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.92 1okd n LYS 83 Cb 0.31 -1.14 -0.08 0.00 -0.02 0.00 0.00 35.03 34.10 1okd n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1okd s MET 84 N -2.41 4.10 0.04 1.97 0.23 -1.23 -4.97 119.30 117.03 1okd s MET 84 Ca -0.02 0.11 -0.10 0.00 -1.03 0.00 0.00 55.69 54.65 1okd s MET 84 Cb 0.04 -3.59 -0.32 0.00 -1.53 0.00 0.00 34.83 29.43 1okd s MET 84 CO 0.25 -0.13 1.01 -1.00 -2.03 0.00 0.00 175.02 173.11 1okd h PRO 85 N 7.71 0.40 -6.65 3.16 0.13 -1.94 -3.41 132.00 131.40 1okd h PRO 85 Ca -0.34 -0.68 -0.52 0.00 -0.87 0.00 0.00 66.00 63.59 1okd h PRO 85 Cb 1.16 0.25 0.22 0.00 0.13 0.00 0.00 31.00 32.77 1okd h PRO 85 CO 0.68 1.31 -0.91 -2.67 -0.23 0.00 0.00 178.00 176.19 1okd n TRP 86 N -3.61 -1.88 -2.86 1.56 2.14 -1.26 -1.75 117.44 109.78 1okd n TRP 86 Ca -0.14 0.20 -0.41 0.00 2.07 0.00 0.00 57.50 59.21 1okd n TRP 86 Cb 1.07 -1.68 -0.04 0.00 -0.81 0.00 0.00 31.31 29.85 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 0.21 4.31 -0.03 5.67 1.43 -1.03 -4.29 118.68 124.96 1okd s LEU 87 Ca 0.54 1.40 0.07 0.00 -1.03 0.00 0.00 54.13 55.11 1okd s LEU 87 Cb -0.18 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 1okd s LEU 87 CO 0.69 -0.23 -0.24 0.00 0.23 0.00 0.00 176.35 176.80 1okd s ALA 88 N 1.15 2.00 0.21 4.21 0.00 0.22 -1.37 121.76 128.18 1okd s ALA 88 Ca 0.44 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 1okd s ALA 88 Cb -0.19 -0.55 -0.09 0.00 0.00 0.00 0.00 23.12 22.28 1okd s ALA 88 CO 0.21 0.45 1.40 0.08 0.00 0.00 0.00 175.76 177.90 1okd s VAL 89 N -0.39 2.90 0.51 0.00 1.01 -1.24 0.11 120.40 123.31 1okd s VAL 89 Ca 0.04 0.73 -0.22 0.00 0.00 0.00 0.00 61.98 62.53 1okd s VAL 89 Cb -0.11 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 1okd s VAL 89 CO 0.01 0.10 1.25 -2.16 0.00 0.00 0.00 175.10 174.30 1okd s PRO 90 N -0.01 3.40 0.56 2.72 0.04 -1.26 -4.77 135.00 135.68 1okd s PRO 90 Ca 0.60 1.96 0.34 0.00 0.04 0.00 0.00 61.00 63.94 1okd s PRO 90 Cb -0.40 -2.28 1.47 0.00 0.04 0.00 0.00 34.50 33.34 1okd s PRO 90 CO 0.39 -0.90 1.77 0.27 0.04 0.00 0.00 177.00 178.57 1okd h PHE 91 N 1.65 0.00 -0.93 0.56 -5.15 -1.96 0.19 116.94 111.29 1okd h PHE 91 Ca -0.50 0.00 0.18 0.00 -0.20 0.00 0.00 57.97 57.45 1okd h PHE 91 Cb 1.28 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 37.37 1okd h PHE 91 CO 0.49 0.00 0.60 0.00 -2.00 0.00 0.00 178.31 177.40 1okd h ALA 92 N 1.31 1.94 -0.53 12.09 0.00 -2.01 0.54 119.26 132.61 1okd h ALA 92 Ca 0.49 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.29 1okd h ALA 92 Cb 2.13 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.76 1okd h ALA 92 CO -0.01 -0.24 0.13 1.04 0.00 0.00 0.00 179.25 180.17 1okd n GLN 93 N -4.59 3.21 0.23 0.00 6.02 0.65 -4.57 117.38 118.32 1okd n GLN 93 Ca 0.20 -3.04 0.17 0.00 -0.01 0.00 0.00 57.00 54.31 1okd n GLN 93 Cb 0.59 -2.04 0.85 0.00 1.02 0.00 0.00 30.24 30.66 1okd n GLN 93 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1okd h SER 94 N 2.17 0.00 -0.71 1.08 4.64 -0.87 -0.24 113.55 119.61 1okd h SER 94 Ca 0.17 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.62 1okd h SER 94 Cb 1.96 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.00 1okd h SER 94 CO 0.52 0.00 0.48 -0.08 -0.87 0.00 0.00 176.83 176.88 1okd h GLU 95 N 0.00 0.42 -0.58 4.77 4.81 -1.80 0.50 114.58 122.70 1okd h GLU 95 Ca 0.07 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1okd h GLU 95 Cb 0.38 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1okd h GLU 95 CO -0.00 0.28 0.04 0.00 -0.73 0.00 0.00 179.01 178.60 1okd h ALA 96 N 1.66 0.77 -0.35 2.92 0.00 -1.37 -2.49 119.26 120.40 1okd h ALA 96 Ca 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1okd h ALA 96 Cb 0.73 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1okd h ALA 96 CO -0.11 0.56 0.21 0.28 0.00 0.00 0.00 179.25 180.19 1okd h VAL 97 N 0.88 1.10 -0.15 0.00 2.07 -1.00 1.86 116.25 121.02 1okd h VAL 97 Ca 0.17 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 1okd h VAL 97 Cb 0.49 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1okd h VAL 97 CO 0.02 0.11 -0.37 1.56 0.02 0.00 0.00 177.57 178.91 1okd h GLN 98 N 0.48 0.51 0.23 1.57 4.20 -1.15 -0.63 115.11 120.32 1okd h GLN 98 Ca 0.13 -0.35 -0.34 0.00 0.06 0.00 0.00 58.65 58.15 1okd h GLN 98 Cb -0.02 0.05 0.03 0.00 0.30 0.00 0.00 27.48 27.85 1okd h GLN 98 CO -0.02 0.97 -1.52 0.87 -0.67 0.00 0.00 178.83 178.45 1okd h LYS 99 N 0.13 0.50 0.00 1.46 1.79 -1.01 -3.23 116.57 116.21 1okd h LYS 99 Ca -0.00 -0.85 -0.08 0.00 -2.18 0.00 0.00 60.65 57.54 1okd h LYS 99 Cb 0.98 0.32 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1okd h LYS 99 CO 0.08 1.40 -0.37 1.25 -1.08 0.00 0.00 179.45 180.73 1okd h LEU 100 N 0.14 0.00 0.01 2.94 5.85 0.28 -2.86 115.31 121.66 1okd h LEU 100 Ca -0.26 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1okd h LEU 100 Cb 2.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.18 1okd h LEU 100 CO 0.25 0.37 -0.00 0.77 -0.34 0.00 0.00 178.44 179.49 1okd h SER 101 N 0.00 -0.01 -0.28 1.25 4.64 -1.18 -2.30 113.55 115.68 1okd h SER 101 Ca -0.00 -0.35 0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1okd h SER 101 Cb 0.75 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 1okd h SER 101 CO 0.05 0.35 0.11 0.50 -0.87 0.00 0.00 176.83 176.97 1okd h LYS 102 N -0.36 0.24 0.00 4.77 1.63 -1.56 -0.79 116.57 120.49 1okd h LYS 102 Ca -0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1okd h LYS 102 Cb 0.36 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1okd h LYS 102 CO 0.00 0.16 -0.01 1.25 -3.45 0.00 0.00 179.45 177.40 1okd h HIS 103 N 0.25 0.00 -0.27 1.91 2.76 -1.51 -0.07 115.15 118.21 1okd h HIS 103 Ca 0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1okd h HIS 103 Cb 0.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1okd h HIS 103 CO -0.12 0.01 0.00 1.19 -1.30 0.00 0.00 177.93 177.71 1okd n PHE 104 N -3.52 0.64 -4.26 5.26 3.72 -0.31 -4.90 117.46 114.09 1okd n PHE 104 Ca -0.03 -0.25 -0.34 0.00 -0.05 0.00 0.00 57.45 56.78 1okd n PHE 104 Cb 0.09 -0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 1okd n PHE 104 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1okd n ASN 105 N 0.33 -1.40 -4.48 4.37 0.23 -0.04 -4.85 115.26 109.41 1okd n ASN 105 Ca 0.11 -1.12 -0.43 0.00 -0.53 0.00 0.00 54.58 52.61 1okd n ASN 105 Cb 0.46 -2.30 -0.03 0.00 -2.08 0.00 0.00 39.78 35.82 1okd n ASN 105 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1okd s VAL 106 N -3.66 4.27 0.27 3.53 1.01 -1.18 -4.88 120.40 119.77 1okd s VAL 106 Ca 0.44 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1okd s VAL 106 Cb -0.25 -4.78 0.27 0.00 0.00 0.00 0.00 36.38 31.63 1okd s VAL 106 CO 0.96 -1.58 1.86 -0.08 0.00 0.00 0.00 175.10 176.26 1okd h GLU 107 N 9.51 1.05 0.00 2.72 4.81 -1.92 -3.46 114.58 127.29 1okd h GLU 107 Ca -0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1okd h GLU 107 Cb 1.05 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1okd h GLU 107 CO 1.21 0.69 0.00 -1.13 -0.73 0.00 0.00 179.01 179.05 1okd n SER 108 N -4.57 0.00 -4.85 1.04 3.41 -1.26 -5.17 113.62 102.22 1okd n SER 108 Ca 0.17 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.46 1okd n SER 108 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1okd n SER 108 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1okd s ILE 109 N -2.00 4.50 0.61 -1.33 -5.25 -1.26 -4.43 121.20 112.04 1okd s ILE 109 Ca 0.00 0.95 -0.14 0.00 -0.99 0.00 0.00 60.65 60.47 1okd s ILE 109 Cb 0.00 -3.73 -0.03 0.00 2.95 0.00 0.00 42.46 41.66 1okd s ILE 109 CO 0.00 -0.93 1.05 -2.16 -1.79 0.00 0.00 174.94 171.12 1okd s PRO 110 N -4.75 3.27 0.13 0.37 0.04 -1.26 -4.98 135.00 127.82 1okd s PRO 110 Ca 0.57 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1okd s PRO 110 Cb -0.11 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.44 1okd s PRO 110 CO 0.46 -0.84 0.47 0.99 0.04 0.00 0.00 177.00 178.12 1okd s THR 111 N -2.63 0.04 -0.11 1.26 2.01 -1.22 -5.05 115.64 109.94 1okd s THR 111 Ca 0.62 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 1okd s THR 111 Cb -0.15 -1.09 0.05 0.00 0.01 0.00 0.00 72.50 71.31 1okd s THR 111 CO 0.41 -0.20 0.27 -0.22 -0.69 0.00 0.00 174.62 174.19 1okd s LEU 112 N -2.71 0.40 0.07 4.42 2.96 -1.26 -2.45 118.68 120.11 1okd s LEU 112 Ca 0.02 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 1okd s LEU 112 Cb 0.01 0.81 -0.03 0.00 0.50 0.00 0.00 46.19 47.48 1okd s LEU 112 CO -0.11 -0.16 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.05 1okd s ILE 113 N 1.19 0.60 -0.01 6.68 1.01 -1.04 0.15 121.20 129.77 1okd s ILE 113 Ca -0.09 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.08 1okd s ILE 113 Cb -0.10 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1okd s ILE 113 CO -0.08 -0.65 -0.18 -0.83 0.00 0.00 0.00 174.94 173.20 1okd s GLY 114 N -2.36 0.86 0.11 6.18 0.00 -1.26 0.50 107.32 111.35 1okd s GLY 114 Ca 0.02 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.01 1okd s GLY 114 CO -0.03 -0.63 -0.09 -1.34 0.00 0.00 0.00 173.10 171.01 1okd s VAL 115 N -0.42 0.94 -0.30 1.40 -7.23 -0.64 -1.98 120.40 112.18 1okd s VAL 115 Ca 0.07 -1.83 -0.10 0.00 -1.81 0.00 0.00 61.98 58.31 1okd s VAL 115 Cb -0.07 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 1okd s VAL 115 CO -0.01 -0.69 0.15 -1.81 -0.31 0.00 0.00 175.10 172.43 1okd s ASP 116 N -2.80 5.59 0.01 4.85 1.11 -1.12 -0.75 116.67 123.57 1okd s ASP 116 Ca 0.10 -0.38 -0.25 0.00 0.18 0.00 0.00 52.55 52.20 1okd s ASP 116 Cb 0.01 -2.02 -0.18 0.00 1.07 0.00 0.00 42.92 41.80 1okd s ASP 116 CO -0.01 -0.15 1.35 0.00 1.18 0.00 0.00 175.17 177.54 1okd h ALA 117 N 8.35 -0.20 0.00 5.23 0.00 -1.87 -0.34 119.26 130.42 1okd h ALA 117 Ca -0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1okd h ALA 117 Cb 1.16 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1okd h ALA 117 CO 0.60 -0.45 -0.10 0.22 0.00 0.00 0.00 179.25 179.51 1okd h ASP 118 N -0.52 0.00 0.04 0.00 1.82 -1.91 -2.67 116.42 113.18 1okd h ASP 118 Ca -0.02 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.45 1okd h ASP 118 Cb 0.41 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.43 1okd h ASP 118 CO 0.03 0.10 -0.68 -1.28 -1.61 0.00 0.00 179.24 175.81 1okd h SER 119 N 0.00 0.54 -0.77 2.28 0.87 -1.94 -3.44 113.55 111.08 1okd h SER 119 Ca -0.00 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 1okd h SER 119 Cb 0.22 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1okd h SER 119 CO 0.01 1.28 0.00 0.61 -0.53 0.00 0.00 176.83 178.20 1okd n GLY 120 N 1.21 0.96 3.61 5.77 0.00 -0.15 -4.85 105.19 111.73 1okd n GLY 120 Ca -0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 46.02 45.40 1okd n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1okd s ASP 121 N -2.75 -0.07 0.16 1.61 2.15 -1.22 -4.25 116.67 112.31 1okd s ASP 121 Ca 0.00 -0.07 -0.30 0.00 0.43 0.00 0.00 52.55 52.61 1okd s ASP 121 Cb 0.00 0.12 -0.08 0.00 -0.30 0.00 0.00 42.92 42.67 1okd s ASP 121 CO 0.00 -0.22 1.20 -0.69 -0.17 0.00 0.00 175.17 175.29 1okd s VAL 122 N -2.34 3.64 -0.12 1.11 1.01 -1.26 -2.79 120.40 119.65 1okd s VAL 122 Ca 0.13 1.33 0.12 0.00 0.00 0.00 0.00 61.98 63.56 1okd s VAL 122 Cb 0.03 -3.85 -0.17 0.00 0.00 0.00 0.00 36.38 32.39 1okd s VAL 122 CO -0.04 0.19 0.08 0.52 0.00 0.00 0.00 175.10 175.85 1okd n VAL 123 N 2.80 0.79 -4.17 2.92 0.31 -1.17 -4.92 118.33 114.88 1okd n VAL 123 Ca 0.05 -0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 63.73 1okd n VAL 123 Cb 0.45 -0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.00 -0.36 2.52 -1.32 -0.84 -4.23 115.64 109.01 1okd s THR 124 Ca -0.06 -1.90 0.13 0.00 -1.21 0.00 0.00 61.69 58.64 1okd s THR 124 Cb 0.05 -2.46 0.41 0.00 -1.51 0.00 0.00 72.50 68.99 1okd s THR 124 CO 0.55 0.00 1.40 0.35 -2.21 0.00 0.00 174.62 174.70 1okd n THR 125 N -0.32 0.17 -2.66 5.08 -2.24 -1.26 -4.10 114.28 108.94 1okd n THR 125 Ca 0.02 -1.49 -0.03 0.00 -2.27 0.00 0.00 64.05 60.27 1okd n THR 125 Cb 0.65 1.00 0.05 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.99 0.19 -0.11 -0.78 -4.01 -1.23 -4.99 116.66 104.74 1okd n ARG 126 Ca -0.08 -0.73 0.06 0.00 -1.04 0.00 0.00 57.85 56.06 1okd n ARG 126 Cb 0.86 -0.08 0.22 0.00 -3.04 0.00 0.00 32.46 30.42 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 -0.06 2.49 0.12 2.89 0.00 0.38 -4.08 120.51 122.26 1okd n ALA 127 Ca -0.17 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1okd n ALA 127 Cb 0.70 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 1.58 -0.31 0.18 0.00 0.11 -1.89 -2.53 114.38 111.51 1okd h ARG 128 Ca 0.00 0.02 -0.34 0.00 0.10 0.00 0.00 59.98 59.76 1okd h ARG 128 Cb 0.36 0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.51 1okd h ARG 128 CO 0.00 0.00 -1.67 0.00 0.10 0.00 0.00 179.97 178.40 1okd h ALA 129 N 0.02 0.16 -0.12 0.08 0.00 -1.93 -3.37 119.26 114.09 1okd h ALA 129 Ca -0.03 -1.11 -0.02 0.00 0.00 0.00 0.00 54.91 53.74 1okd h ALA 129 Cb 0.45 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1okd h ALA 129 CO 0.05 1.02 -0.01 1.79 0.00 0.00 0.00 179.25 182.10 1okd h THR 130 N 0.10 1.27 -0.89 0.00 1.35 -1.71 0.71 112.91 113.75 1okd h THR 130 Ca -0.31 -0.90 0.20 0.00 -0.55 0.00 0.00 66.41 64.85 1okd h THR 130 Cb 2.09 1.63 -0.07 0.00 -1.73 0.00 0.00 68.15 70.07 1okd h THR 130 CO 0.18 0.26 0.59 0.25 -0.25 0.00 0.00 175.52 176.55 1okd h LEU 131 N -0.07 0.41 0.00 3.87 5.85 -1.64 0.41 115.31 124.14 1okd h LEU 131 Ca 0.03 0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.58 1okd h LEU 131 Cb 0.41 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1okd h LEU 131 CO 0.01 0.17 -1.17 1.62 -0.34 0.00 0.00 178.44 178.73 1okd h VAL 132 N 0.41 0.98 -0.05 1.05 3.04 -1.68 -3.37 116.25 116.63 1okd h VAL 132 Ca 0.46 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 63.95 1okd h VAL 132 Cb 1.14 2.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.75 1okd h VAL 132 CO -0.17 0.35 0.00 0.29 -1.01 0.00 0.00 177.57 177.03 1okd n LYS 133 N -4.42 1.26 -3.72 4.17 5.02 0.25 -4.40 118.16 116.31 1okd n LYS 133 Ca -0.30 -0.25 -0.28 0.00 -2.02 0.00 0.00 58.31 55.45 1okd n LYS 133 Cb 0.68 -1.36 -0.10 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 -0.09 3.38 -0.24 4.39 2.03 0.14 -4.90 116.55 121.25 1okd n ASP 134 Ca 0.02 -3.29 0.02 0.00 0.52 0.00 0.00 54.79 52.06 1okd n ASP 134 Cb 0.22 -0.75 0.05 0.00 -0.72 0.00 0.00 41.12 39.93 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 1.59 1.30 -0.02 -0.67 -0.04 -1.26 -3.52 135.00 132.38 1okd n PRO 135 Ca 0.23 -0.45 -0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1okd n PRO 135 Cb 0.37 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.13 1.84 -1.79 0.54 -0.58 -1.26 -4.99 120.64 114.26 1okd n GLU 136 Ca 0.04 -0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.59 1okd n GLU 136 Cb 0.11 -1.13 -0.05 0.00 -0.57 0.00 0.00 31.44 29.80 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1okd n GLY 137 N 2.46 0.92 0.11 0.62 0.00 -1.23 -4.81 105.19 103.27 1okd n GLY 137 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1okd n GLY 137 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1okd n GLU 138 N -2.37 0.22 -1.11 1.61 0.28 -1.26 -3.33 120.64 114.69 1okd n GLU 138 Ca -0.18 0.32 0.04 0.00 -0.16 0.00 0.00 57.16 57.18 1okd n GLU 138 Cb 0.58 -1.83 0.04 0.00 1.43 0.00 0.00 31.44 31.67 1okd n GLU 138 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1okd n GLN 139 N -2.22 0.24 -0.17 3.44 6.02 -1.26 -4.96 117.38 118.47 1okd n GLN 139 Ca 0.04 -1.95 0.07 0.00 -0.01 0.00 0.00 57.00 55.15 1okd n GLN 139 Cb 0.32 -0.37 0.14 0.00 1.02 0.00 0.00 30.24 31.35 1okd n GLN 139 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1okd n PHE 140 N 0.12 0.30 0.21 1.08 -1.74 -1.21 0.35 117.46 116.58 1okd n PHE 140 Ca 0.07 0.57 0.01 0.00 -0.56 0.00 0.00 57.45 57.54 1okd n PHE 140 Cb 0.97 -0.86 0.06 0.00 1.52 0.00 0.00 39.48 41.18 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 -4.54 0.11 -0.86 3.97 -0.04 -1.26 -4.79 135.00 127.59 1okd n PRO 141 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1okd n PRO 141 Cb 0.37 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.80 0.00 -2.38 0.54 8.01 1.10 -4.34 117.44 119.57 1okd n TRP 142 Ca 0.02 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.02 1okd n TRP 142 Cb 0.01 0.00 0.10 0.00 -2.01 0.00 0.00 31.31 29.41 1okd n TRP 142 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04 1okd n LYS 143 N -0.20 -0.14 -0.11 -0.99 2.85 -1.26 -4.60 118.16 113.71 1okd n LYS 143 Ca 0.00 -2.02 -0.10 0.00 -1.05 0.00 0.00 58.31 55.13 1okd n LYS 143 Cb 0.00 -0.62 0.10 0.00 -0.65 0.00 0.00 35.03 33.86 1okd n LYS 143 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1okd n ASP 144 N -3.06 -2.60 -4.47 -5.58 5.75 -1.26 -4.70 116.55 100.62 1okd n ASP 144 Ca 0.13 -0.30 -0.47 0.00 -0.01 0.00 0.00 54.79 54.14 1okd n ASP 144 Cb 0.46 -0.36 -0.07 0.00 -1.03 0.00 0.00 41.12 40.11 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1okd n ALA 145 N -3.75 0.95 -1.18 2.12 0.00 -1.26 -4.93 120.51 112.46 1okd n ALA 145 Ca -0.07 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 1okd n ALA 145 Cb 0.20 -2.63 0.11 0.00 0.00 0.00 0.00 19.45 17.13 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 8.38 -1.44 0.00 0.00 -0.04 -1.26 -5.05 135.00 135.59 1okd n PRO 146 Ca 0.44 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 1okd n PRO 146 Cb 0.26 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 1okd n PRO 146 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1okd n LEU 147 N 0.00 0.00 -4.45 1.53 -0.00 -1.26 -5.04 117.00 107.78 1okd n LEU 147 Ca 0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.82 1okd n LEU 147 Cb 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.57 1okd n LEU 147 CO 0.19 -1.39 -0.51 -1.83 -0.00 0.00 0.00 177.39 173.85 1okd s GLU 148 N -2.45 1.61 0.00 1.47 4.04 -1.26 -5.27 118.70 116.84 1okd s GLU 148 Ca 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 54.97 53.45 1okd s GLU 148 Cb 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 34.13 32.29 1okd s GLU 148 CO 0.00 0.39 0.00 0.72 -1.84 0.00 0.00 175.26 174.53