#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 1.84 5.00 0.00 -1.06 0.29 103.07 109.15 1okd h GLY 3 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1okd h GLY 3 CO 0.00 0.00 -1.10 1.41 0.00 0.00 0.00 176.54 176.85 1okd h LEU 4 N 0.00 0.13 0.00 3.11 -0.00 -1.85 -3.29 115.31 113.41 1okd h LEU 4 Ca 0.02 -0.14 -0.08 0.00 -0.00 0.00 0.00 57.88 57.68 1okd h LEU 4 Cb 0.14 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1okd h LEU 4 CO -0.00 1.11 -0.75 0.44 -0.00 0.00 0.00 178.44 179.24 1okd h ASP 5 N 0.02 0.00 -0.59 -0.43 5.19 -1.57 -3.32 116.42 115.73 1okd h ASP 5 Ca -0.06 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.52 1okd h ASP 5 Cb 1.84 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.33 1okd h ASP 5 CO 0.15 0.33 0.43 0.07 -3.12 0.00 0.00 179.24 177.10 1okd h LYS 6 N 0.00 0.00 0.00 3.56 5.09 -1.07 -3.04 116.57 121.11 1okd h LYS 6 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 1okd h LYS 6 Cb 1.29 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.62 1okd h LYS 6 CO 0.04 0.00 0.00 0.98 -2.09 0.00 0.00 179.45 178.38 1okd n TYR 7 N -4.34 0.00 -3.29 0.07 9.36 -1.25 -4.79 117.16 112.92 1okd n TYR 7 Ca 0.11 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.26 1okd n TYR 7 Cb 0.67 -0.16 -0.06 0.00 -0.63 0.00 0.00 39.34 39.16 1okd n TYR 7 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1okd s LEU 8 N -2.26 -0.85 -0.11 2.98 0.20 -1.15 -5.13 118.68 112.36 1okd s LEU 8 Ca 0.00 -0.21 -0.38 0.00 0.69 0.00 0.00 54.13 54.22 1okd s LEU 8 Cb 0.00 1.22 -0.16 0.00 -0.43 0.00 0.00 46.19 46.82 1okd s LEU 8 CO 0.00 -0.34 1.58 -2.65 -0.29 0.00 0.00 176.35 174.65 1okd n PRO 9 N 5.36 1.21 0.00 0.98 -0.02 -1.21 -4.16 135.00 137.16 1okd n PRO 9 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1okd n PRO 9 Cb 0.50 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 3.50 0.34 0.38 -1.23 0.00 -1.26 -5.00 105.19 101.92 1okd n GLY 10 Ca 0.23 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.39 1okd n GLY 10 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1okd h ILE 11 N 0.00 0.74 0.00 -0.61 1.08 -1.95 -3.45 117.51 113.32 1okd h ILE 11 Ca 0.00 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1okd h ILE 11 Cb 0.00 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.80 1okd h ILE 11 CO 0.00 0.12 0.00 -0.62 -0.69 0.00 0.00 178.15 176.96 1okd n GLU 12 N -4.61 0.00 -4.33 2.37 1.02 -1.26 -4.63 120.64 109.20 1okd n GLU 12 Ca 0.20 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.17 1okd n GLU 12 Cb 0.58 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.90 1okd n GLU 12 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1okd s LYS 13 N 0.00 1.35 0.34 3.49 1.02 -1.26 -4.04 119.74 120.63 1okd s LYS 13 Ca 0.00 -1.69 0.07 0.00 0.02 0.00 0.00 55.97 54.37 1okd s LYS 13 Cb 0.00 -0.54 -0.01 0.00 -0.52 0.00 0.00 37.83 36.76 1okd s LYS 13 CO 0.00 -0.14 0.46 -0.51 -0.92 0.00 0.00 175.35 174.24 1okd s LEU 14 N -3.31 3.91 -0.53 3.17 1.43 -1.15 -4.63 118.68 117.57 1okd s LEU 14 Ca 0.30 -0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 52.99 1okd s LEU 14 Cb 0.06 -2.69 0.10 0.00 0.03 0.00 0.00 46.19 43.70 1okd s LEU 14 CO 0.09 -0.45 0.51 -0.13 0.23 0.00 0.00 176.35 176.61 1okd s ARG 15 N -4.17 3.01 0.48 1.70 0.52 0.39 -3.70 118.95 117.19 1okd s ARG 15 Ca 0.45 -1.47 -0.02 0.00 -0.52 0.00 0.00 55.73 54.18 1okd s ARG 15 Cb -0.09 -4.23 0.10 0.00 0.52 0.00 0.00 34.95 31.25 1okd s ARG 15 CO 0.31 -1.27 0.66 0.54 0.02 0.00 0.00 175.30 175.56 1okd n ARG 16 N 5.50 -0.02 0.00 3.54 5.12 -0.56 -2.66 116.66 127.58 1okd n ARG 16 Ca -0.12 -1.61 0.00 0.00 -1.93 0.00 0.00 57.85 54.19 1okd n ARG 16 Cb 0.42 -0.50 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 1okd n ARG 16 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1okd n GLY 17 N 0.11 0.70 0.41 -0.13 0.00 -1.26 -4.29 105.19 100.73 1okd n GLY 17 Ca 0.10 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.36 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 0.45 0.00 1.61 3.04 -1.99 -3.45 116.42 116.08 1okd h ASP 18 Ca 0.00 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1okd h ASP 18 Cb 0.00 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1okd h ASP 18 CO 0.00 0.05 0.00 0.61 -2.04 0.00 0.00 179.24 177.86 1okd n GLY 19 N -1.46 3.16 3.08 7.15 0.00 -1.26 -5.18 105.19 110.68 1okd n GLY 19 Ca 0.27 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 3.95 0.59 -0.00 1.61 8.01 -1.26 -1.49 118.70 130.10 1okd s GLU 20 Ca 0.00 -0.90 0.05 0.00 0.01 0.00 0.00 54.97 54.13 1okd s GLU 20 Cb 0.00 -0.24 -0.01 0.00 -4.31 0.00 0.00 34.13 29.56 1okd s GLU 20 CO 0.00 0.03 -0.17 0.14 0.01 0.00 0.00 175.26 175.27 1okd s VAL 21 N -1.98 1.35 0.72 2.63 -7.23 -1.24 -4.91 120.40 109.74 1okd s VAL 21 Ca -0.05 -0.78 -0.16 0.00 -1.81 0.00 0.00 61.98 59.18 1okd s VAL 21 Cb -0.06 -1.13 0.03 0.00 0.56 0.00 0.00 36.38 35.78 1okd s VAL 21 CO -0.01 0.34 1.24 -1.61 -0.31 0.00 0.00 175.10 174.75 1okd s GLU 22 N -0.51 2.15 0.56 4.82 2.02 -1.26 -2.93 118.70 123.54 1okd s GLU 22 Ca 0.06 1.88 0.26 0.00 0.02 0.00 0.00 54.97 57.20 1okd s GLU 22 Cb -0.07 -1.82 1.52 0.00 0.10 0.00 0.00 34.13 33.86 1okd s GLU 22 CO -0.00 -1.86 2.05 0.28 0.02 0.00 0.00 175.26 175.75 1okd h VAL 23 N -0.14 0.59 -0.64 2.63 2.07 -1.95 -1.23 116.25 117.59 1okd h VAL 23 Ca -0.49 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.22 1okd h VAL 23 Cb 1.31 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1okd h VAL 23 CO 0.50 0.00 0.57 0.11 0.02 0.00 0.00 177.57 178.77 1okd h LYS 24 N 0.00 0.00 0.00 1.57 1.79 -1.92 0.42 116.57 118.42 1okd h LYS 24 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1okd h LYS 24 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1okd h LYS 24 CO -0.00 0.00 0.00 0.77 -1.08 0.00 0.00 179.45 179.14 1okd h SER 25 N 0.00 0.00 -1.72 0.86 0.02 -1.57 -2.21 113.55 108.94 1okd h SER 25 Ca 0.30 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.64 1okd h SER 25 Cb 1.45 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.59 1okd h SER 25 CO -0.00 0.00 -0.52 0.18 -1.14 0.00 0.00 176.83 175.35 1okd n LEU 26 N -2.67 4.98 -4.21 5.07 4.77 0.15 -4.95 117.00 120.13 1okd n LEU 26 Ca -0.02 -5.28 -0.41 0.00 -0.03 0.00 0.00 56.01 50.27 1okd n LEU 26 Cb 0.07 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 1okd n LEU 26 CO 0.15 2.22 0.24 0.00 -1.33 0.00 0.00 177.39 178.67 1okd s ALA 27 N -3.59 3.85 0.00 -1.18 0.00 -0.83 -4.53 121.76 115.47 1okd s ALA 27 Ca 0.48 -3.32 0.00 0.00 0.00 0.00 0.00 51.96 49.12 1okd s ALA 27 Cb 0.38 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1okd s ALA 27 CO -0.20 -2.20 0.00 0.41 0.00 0.00 0.00 175.76 173.78 1okd n GLY 28 N 3.66 0.68 3.33 0.00 0.00 -1.26 -4.99 105.19 106.61 1okd n GLY 28 Ca 0.11 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.65 1.09 -0.84 1.61 -2.85 -1.26 -4.92 119.74 111.91 1okd s LYS 29 Ca 0.00 -0.82 -0.25 0.00 -1.00 0.00 0.00 55.97 53.90 1okd s LYS 29 Cb 0.00 0.45 0.05 0.00 -2.06 0.00 0.00 37.83 36.26 1okd s LYS 29 CO 0.00 -0.42 1.31 -1.17 0.10 0.00 0.00 175.35 175.17 1okd s LEU 30 N -2.84 3.49 0.23 2.77 2.96 -1.26 -3.09 118.68 120.94 1okd s LEU 30 Ca 0.06 -0.95 -0.19 0.00 -0.22 0.00 0.00 54.13 52.83 1okd s LEU 30 Cb 0.02 -2.54 -0.08 0.00 0.50 0.00 0.00 46.19 44.08 1okd s LEU 30 CO -0.09 -1.64 0.73 -0.69 -1.32 0.00 0.00 176.35 173.33 1okd s VAL 31 N 5.15 4.57 0.29 1.68 1.01 -0.20 -3.25 120.40 129.65 1okd s VAL 31 Ca 0.38 1.26 0.10 0.00 0.00 0.00 0.00 61.98 63.72 1okd s VAL 31 Cb -0.06 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1okd s VAL 31 CO 0.04 0.18 -0.07 -0.36 0.00 0.00 0.00 175.10 174.89 1okd s PHE 32 N -1.56 2.52 -0.25 5.22 0.08 -0.37 0.74 117.98 124.36 1okd s PHE 32 Ca 0.44 -0.31 -0.02 0.00 0.12 0.00 0.00 56.93 57.16 1okd s PHE 32 Cb -0.16 -1.19 0.08 0.00 -0.57 0.00 0.00 43.02 41.18 1okd s PHE 32 CO 0.21 0.63 0.07 -0.06 -0.10 0.00 0.00 175.22 175.96 1okd s PHE 33 N -2.43 1.26 -0.44 0.36 0.40 1.27 -0.42 117.98 117.97 1okd s PHE 33 Ca 0.32 -1.23 -0.18 0.00 -0.60 0.00 0.00 56.93 55.24 1okd s PHE 33 Cb -0.04 -1.30 0.03 0.00 0.51 0.00 0.00 43.02 42.22 1okd s PHE 33 CO 0.18 -0.74 0.49 -0.47 0.70 0.00 0.00 175.22 175.38 1okd s TYR 34 N 1.77 3.14 -0.21 0.36 5.04 4.70 -0.64 117.35 131.53 1okd s TYR 34 Ca 0.04 -0.40 -0.15 0.00 -2.44 0.00 0.00 57.07 54.12 1okd s TYR 34 Cb -0.17 -3.07 -0.04 0.00 0.35 0.00 0.00 41.96 39.02 1okd s TYR 34 CO -0.18 -0.78 0.36 -0.06 -1.34 0.00 0.00 175.55 173.56 1okd s PHE 35 N 2.27 3.36 0.02 4.97 0.40 -1.01 0.15 117.98 128.13 1okd s PHE 35 Ca 0.13 0.56 -0.29 0.00 -0.60 0.00 0.00 56.93 56.73 1okd s PHE 35 Cb -0.17 -2.49 0.11 0.00 0.51 0.00 0.00 43.02 40.97 1okd s PHE 35 CO 0.14 0.00 1.24 -1.54 0.70 0.00 0.00 175.22 175.75 1okd s SER 36 N 1.05 -0.06 -0.08 1.36 1.04 -0.88 -1.16 113.70 114.97 1okd s SER 36 Ca 0.17 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.31 1okd s SER 36 Cb -0.15 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1okd s SER 36 CO 0.07 -0.41 0.23 0.00 0.98 0.00 0.00 173.24 174.12 1okd s ALA 37 N -2.44 -0.58 0.60 5.32 0.00 -1.26 0.11 121.76 123.50 1okd s ALA 37 Ca 0.17 0.64 0.40 0.00 0.00 0.00 0.00 51.96 53.17 1okd s ALA 37 Cb 0.03 -0.37 2.20 0.00 0.00 0.00 0.00 23.12 24.99 1okd s ALA 37 CO -0.02 -0.12 2.24 0.66 0.00 0.00 0.00 175.76 178.52 1okd h SER 38 N 5.71 0.00 -0.58 0.00 4.64 -1.90 0.93 113.55 122.35 1okd h SER 38 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1okd h SER 38 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1okd h SER 38 CO 0.36 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.65 1okd n TRP 39 N -2.97 1.22 -1.49 4.77 4.27 -1.26 -4.97 117.44 117.01 1okd n TRP 39 Ca -0.03 -0.50 -0.32 0.00 -3.89 0.00 0.00 57.50 52.77 1okd n TRP 39 Cb 0.12 -0.18 0.07 0.00 -1.36 0.00 0.00 31.31 29.96 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 -0.66 -0.70 0.00 0.00 0.11 -1.93 -3.39 132.00 125.45 1okd h PRO 41 Ca -0.45 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1okd h PRO 41 Cb 1.23 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1okd h PRO 41 CO 0.53 -0.39 0.00 -2.30 -0.21 0.00 0.00 178.00 175.63 1okd n PRO 42 N -5.32 0.00 -2.56 1.05 -0.02 -1.26 -4.93 135.00 121.97 1okd n PRO 42 Ca -0.11 0.21 -0.23 0.00 -2.02 0.00 0.00 63.50 61.35 1okd n PRO 42 Cb 0.33 -1.05 0.02 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.25 0.00 0.00 0.00 0.63 -1.26 -5.07 116.66 110.71 1okd n ARG 44 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1okd n ARG 44 Cb 0.41 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.32 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 0.00 -1.79 0.00 5.14 0.00 -1.26 -5.04 105.19 102.24 1okd n GLY 45 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1okd n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1okd n PHE 46 N 0.00 0.00 0.08 1.61 7.35 -1.26 -4.99 117.46 120.26 1okd n PHE 46 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1okd n PHE 46 Cb 0.00 0.00 0.31 0.00 0.35 0.00 0.00 39.48 40.14 1okd n PHE 46 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1okd h THR 47 N 0.00 1.22 -0.01 -2.13 1.03 -2.00 -2.69 112.91 108.34 1okd h THR 47 Ca 0.00 -1.03 0.00 0.00 -0.01 0.00 0.00 66.41 65.37 1okd h THR 47 Cb 0.00 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 1okd h THR 47 CO 0.00 0.32 -0.11 -0.81 -0.01 0.00 0.00 175.52 174.92 1okd n PRO 48 N -4.19 0.88 0.09 0.00 -0.04 -1.26 -3.74 135.00 126.74 1okd n PRO 48 Ca -0.01 -0.36 -0.15 0.00 -0.04 0.00 0.00 63.50 62.94 1okd n PRO 48 Cb 0.34 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.87 0.38 -0.04 0.54 1.08 -1.87 -2.88 115.11 113.20 1okd h GLN 49 Ca 0.00 -0.50 -0.01 0.00 -1.45 0.00 0.00 58.65 56.69 1okd h GLN 49 Cb 0.37 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1okd h GLN 49 CO 0.00 1.18 -0.01 1.25 -0.95 0.00 0.00 178.83 180.30 1okd h LEU 50 N 0.18 0.07 -0.51 1.46 7.12 -1.66 -0.19 115.31 121.78 1okd h LEU 50 Ca -0.11 -0.35 0.03 0.00 0.13 0.00 0.00 57.88 57.58 1okd h LEU 50 Cb 1.76 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 41.84 1okd h LEU 50 CO 0.19 0.40 0.30 0.40 -0.13 0.00 0.00 178.44 179.60 1okd h ILE 51 N -0.26 1.04 0.07 4.05 2.04 -1.71 0.81 117.51 123.55 1okd h ILE 51 Ca 0.01 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1okd h ILE 51 Cb 0.37 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1okd h ILE 51 CO 0.00 0.11 -0.03 -0.08 0.00 0.00 0.00 178.15 178.15 1okd h GLU 52 N 0.59 -0.09 -0.23 2.37 4.81 -1.51 0.93 114.58 121.47 1okd h GLU 52 Ca 0.21 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1okd h GLU 52 Cb 0.04 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1okd h GLU 52 CO -0.10 0.28 -0.01 0.35 -0.73 0.00 0.00 179.01 178.81 1okd h PHE 53 N -0.47 0.34 0.00 0.92 3.57 -0.87 -1.27 116.94 119.16 1okd h PHE 53 Ca -0.01 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1okd h PHE 53 Cb 0.41 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1okd h PHE 53 CO 0.05 0.36 -0.07 -0.92 -2.23 0.00 0.00 178.31 175.49 1okd h TYR 54 N 0.33 0.00 -0.27 0.41 5.03 0.76 -3.18 116.97 120.04 1okd h TYR 54 Ca 0.08 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.46 1okd h TYR 54 Cb 0.23 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1okd h TYR 54 CO 0.01 0.12 0.28 0.22 -1.32 0.00 0.00 178.16 177.47 1okd h ASP 55 N -1.00 0.00 0.95 -2.11 1.82 0.88 2.18 116.42 119.13 1okd h ASP 55 Ca -0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.42 1okd h ASP 55 Cb 0.17 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 1okd h ASP 55 CO -0.00 0.00 -1.09 0.11 -1.61 0.00 0.00 179.24 176.65 1okd h LYS 56 N 0.00 0.00 0.00 0.28 1.57 -1.36 -3.40 116.57 113.66 1okd h LYS 56 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1okd h LYS 56 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1okd h LYS 56 CO -0.00 0.88 0.00 1.19 -0.57 0.00 0.00 179.45 180.95 1okd n PHE 57 N -3.29 0.00 -0.19 -1.35 3.01 -0.67 -4.82 117.46 110.15 1okd n PHE 57 Ca -0.03 -0.03 0.21 0.00 1.01 0.00 0.00 57.45 58.61 1okd n PHE 57 Cb 0.94 -0.00 0.57 0.00 -0.01 0.00 0.00 39.48 40.98 1okd n PHE 57 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 1okd h HIS 58 N 0.00 0.37 0.00 1.38 2.07 0.34 0.28 115.15 119.59 1okd h HIS 58 Ca 0.00 0.01 -0.20 0.00 -2.85 0.00 0.00 60.37 57.33 1okd h HIS 58 Cb 0.50 -0.11 -0.03 0.00 2.57 0.00 0.00 27.41 30.33 1okd h HIS 58 CO 0.00 0.10 -0.98 0.93 -3.07 0.00 0.00 177.93 174.92 1okd h GLU 59 N 0.28 0.00 0.00 5.12 5.08 -1.87 -1.83 114.58 121.36 1okd h GLU 59 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1okd h GLU 59 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1okd h GLU 59 CO -0.12 0.97 -0.01 0.66 -1.00 0.00 0.00 179.01 179.51 1okd h SER 60 N 0.00 0.00 0.59 1.42 4.64 -0.98 -3.35 113.55 115.87 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 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1okd h SER 60 CO 0.13 0.37 0.00 2.29 -0.87 0.00 0.00 176.83 178.75 1okd n LYS 61 N -4.04 0.27 -3.57 4.77 2.85 0.68 -4.96 118.16 114.17 1okd n LYS 61 Ca -0.00 0.05 -0.29 0.00 -1.05 0.00 0.00 58.31 57.01 1okd n LYS 61 Cb 0.00 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 32.90 1okd n LYS 61 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1okd n ASN 62 N -1.34 -5.49 -4.33 -5.58 6.94 -0.69 -4.89 115.26 99.88 1okd n ASN 62 Ca 0.11 -0.45 -0.18 0.00 -0.02 0.00 0.00 54.58 54.03 1okd n ASN 62 Cb 0.23 -2.07 -0.10 0.00 -2.36 0.00 0.00 39.78 35.48 1okd n ASN 62 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1okd s PHE 63 N -2.25 1.68 -0.01 -2.53 -0.71 -1.22 -4.47 117.98 108.46 1okd s PHE 63 Ca 0.20 -1.13 0.01 0.00 -1.04 0.00 0.00 56.93 54.96 1okd s PHE 63 Cb -0.02 -1.02 0.01 0.00 -1.21 0.00 0.00 43.02 40.78 1okd s PHE 63 CO 0.87 -0.24 -0.01 -2.00 -1.34 0.00 0.00 175.22 172.50 1okd s GLU 64 N -3.97 0.22 -0.17 1.99 2.56 -1.20 -4.92 118.70 113.20 1okd s GLU 64 Ca 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 54.97 55.29 1okd s GLU 64 Cb 0.08 -0.29 -0.01 0.00 2.00 0.00 0.00 34.13 35.91 1okd s GLU 64 CO 0.14 -0.02 -0.07 0.08 -0.56 0.00 0.00 175.26 174.83 1okd s VAL 65 N 0.35 3.38 -0.06 3.70 1.01 -1.26 -1.23 120.40 126.28 1okd s VAL 65 Ca -0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1okd s VAL 65 Cb -0.06 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1okd s VAL 65 CO -0.01 0.47 0.07 -0.69 0.00 0.00 0.00 175.10 174.95 1okd s VAL 66 N 0.84 4.83 -0.30 2.92 1.01 0.44 -1.66 120.40 128.48 1okd s VAL 66 Ca -0.02 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 1okd s VAL 66 Cb -0.15 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1okd s VAL 66 CO 0.01 0.51 0.13 0.12 0.00 0.00 0.00 175.10 175.88 1okd s PHE 67 N -1.05 3.16 -0.56 5.22 5.36 0.29 0.11 117.98 130.52 1okd s PHE 67 Ca 0.18 -0.55 -0.18 0.00 -0.96 0.00 0.00 56.93 55.41 1okd s PHE 67 Cb -0.12 -2.33 0.10 0.00 -0.34 0.00 0.00 43.02 40.33 1okd s PHE 67 CO 0.07 -0.44 0.63 0.00 -1.46 0.00 0.00 175.22 174.03 1okd s THR 69 N 2.39 2.02 -0.16 0.00 -1.32 -1.26 -2.07 115.64 115.25 1okd s THR 69 Ca 0.10 0.01 0.23 0.00 -1.21 0.00 0.00 61.69 60.82 1okd s THR 69 Cb -0.24 -2.57 0.46 0.00 -1.51 0.00 0.00 72.50 68.63 1okd s THR 69 CO 0.07 -0.01 1.15 0.79 -2.21 0.00 0.00 174.62 174.41 1okd n TRP 70 N -2.94 0.59 -2.90 9.09 7.02 0.31 -4.69 117.44 123.91 1okd n TRP 70 Ca 0.14 -1.48 -0.20 0.00 -1.02 0.00 0.00 57.50 54.95 1okd n TRP 70 Cb 0.50 -0.08 0.05 0.00 -2.42 0.00 0.00 31.31 29.36 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 -2.93 5.14 -0.15 -0.99 1.11 -1.26 -4.46 116.67 113.12 1okd s ASP 71 Ca 0.28 -0.55 0.12 0.00 0.18 0.00 0.00 52.55 52.58 1okd s ASP 71 Cb 0.34 -0.16 -0.18 0.00 1.07 0.00 0.00 42.92 44.00 1okd s ASP 71 CO -0.09 -1.25 0.02 1.21 1.18 0.00 0.00 175.17 176.24 1okd n GLU 72 N -2.25 1.43 -4.23 8.23 0.00 -1.26 -5.02 120.64 117.54 1okd n GLU 72 Ca 0.13 0.01 -0.24 0.00 0.00 0.00 0.00 57.16 57.06 1okd n GLU 72 Cb 0.60 -1.38 -0.07 0.00 0.00 0.00 0.00 31.44 30.59 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 -2.36 2.22 0.22 5.31 2.56 -1.26 -5.04 118.70 120.35 1okd s GLU 73 Ca -0.10 -1.63 0.04 0.00 0.00 0.00 0.00 54.97 53.28 1okd s GLU 73 Cb 0.05 -2.05 0.18 0.00 2.00 0.00 0.00 34.13 34.30 1okd s GLU 73 CO 0.59 0.15 1.51 0.93 -0.56 0.00 0.00 175.26 177.88 1okd h GLU 74 N 1.71 0.22 -0.73 4.30 5.08 -1.99 -3.19 114.58 119.98 1okd h GLU 74 Ca -0.43 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 57.79 1okd h GLU 74 Cb 1.25 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1okd h GLU 74 CO 0.65 0.82 0.45 0.22 -1.00 0.00 0.00 179.01 180.14 1okd h ASP 75 N 0.15 0.72 0.17 1.42 3.58 -1.97 0.75 116.42 121.24 1okd h ASP 75 Ca -0.02 0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1okd h ASP 75 Cb 1.22 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 1okd h ASP 75 CO 0.10 0.49 -0.39 1.23 -2.88 0.00 0.00 179.24 177.79 1okd h GLY 76 N 0.86 0.33 1.19 -0.78 0.00 -1.97 0.64 103.07 103.34 1okd h GLY 76 Ca 0.30 -0.31 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1okd h GLY 76 CO -0.13 0.28 -1.56 -2.75 0.00 0.00 0.00 176.54 172.38 1okd h PHE 77 N 0.25 0.59 0.07 5.60 3.57 -1.40 -3.20 116.94 122.42 1okd h PHE 77 Ca 0.03 -0.43 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 1okd h PHE 77 Cb 0.81 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1okd h PHE 77 CO 0.02 1.47 -0.03 0.00 -2.23 0.00 0.00 178.31 177.54 1okd h ALA 78 N 0.36 -0.09 0.00 2.41 0.00 0.51 0.26 119.26 122.71 1okd h ALA 78 Ca -0.26 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1okd h ALA 78 Cb 2.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1okd h ALA 78 CO 0.18 -0.14 0.06 0.41 0.00 0.00 0.00 179.25 179.76 1okd n GLY 79 N 1.13 -0.77 0.12 0.00 0.00 0.21 0.67 105.19 106.55 1okd n GLY 79 Ca -0.07 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.13 0.39 0.76 1.61 4.19 -1.18 -4.44 117.16 116.37 1okd n TYR 80 Ca -0.01 0.17 0.13 0.00 3.31 0.00 0.00 57.90 61.50 1okd n TYR 80 Cb 0.09 -0.99 0.49 0.00 0.49 0.00 0.00 39.34 39.42 1okd n TYR 80 CO 0.00 0.00 0.00 1.97 0.91 0.00 0.00 176.86 179.74 1okd n PHE 81 N -4.34 0.51 0.64 2.98 1.16 0.91 -3.34 117.46 115.97 1okd n PHE 81 Ca -0.43 0.15 0.09 0.00 -1.87 0.00 0.00 57.45 55.39 1okd n PHE 81 Cb 0.77 -0.75 0.40 0.00 -1.61 0.00 0.00 39.48 38.29 1okd n PHE 81 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1okd n ALA 82 N -1.66 1.85 -0.01 1.98 0.00 0.21 -2.85 120.51 120.04 1okd n ALA 82 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1okd n ALA 82 Cb 0.37 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.50 2.31 -4.52 0.00 5.02 -1.21 -5.02 118.16 113.24 1okd n LYS 83 Ca 0.05 -1.45 -0.32 0.00 -2.02 0.00 0.00 58.31 54.57 1okd n LYS 83 Cb 0.21 -1.06 -0.11 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.86 2.39 -0.10 1.97 0.23 -1.13 -5.05 119.30 116.75 1okd s MET 84 Ca 0.05 -0.81 -0.19 0.00 -1.03 0.00 0.00 55.69 53.71 1okd s MET 84 Cb 0.03 -2.39 -0.27 0.00 -1.53 0.00 0.00 34.83 30.66 1okd s MET 84 CO 0.04 0.58 0.62 -1.00 -2.03 0.00 0.00 175.02 173.22 1okd h PRO 85 N 4.50 0.21 -6.25 3.16 0.13 -1.96 -3.46 132.00 128.34 1okd h PRO 85 Ca -0.48 -0.36 -0.53 0.00 -0.87 0.00 0.00 66.00 63.77 1okd h PRO 85 Cb 1.16 0.13 0.24 0.00 0.13 0.00 0.00 31.00 32.66 1okd h PRO 85 CO 0.52 1.17 -1.63 -2.67 -0.23 0.00 0.00 178.00 175.16 1okd n TRP 86 N -4.08 -3.40 -2.66 1.56 2.14 -1.26 -4.63 117.44 105.10 1okd n TRP 86 Ca -0.22 0.15 -0.31 0.00 2.07 0.00 0.00 57.50 59.19 1okd n TRP 86 Cb 0.82 -1.52 -0.03 0.00 -0.81 0.00 0.00 31.31 29.77 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 5.04 3.75 0.05 5.67 1.43 -0.66 -4.87 118.68 129.09 1okd s LEU 87 Ca 0.45 1.32 -0.04 0.00 -1.03 0.00 0.00 54.13 54.83 1okd s LEU 87 Cb -0.14 -4.23 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 1okd s LEU 87 CO 0.75 -0.48 0.06 0.00 0.23 0.00 0.00 176.35 176.92 1okd s ALA 88 N -2.47 0.13 0.01 4.21 0.00 -1.09 0.11 121.76 122.66 1okd s ALA 88 Ca 0.55 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 51.44 1okd s ALA 88 Cb -0.10 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 1okd s ALA 88 CO 0.31 -0.37 0.73 0.08 0.00 0.00 0.00 175.76 176.51 1okd s VAL 89 N -3.34 4.83 0.51 0.00 1.01 -1.18 0.15 120.40 122.38 1okd s VAL 89 Ca 0.01 1.55 -0.23 0.00 0.00 0.00 0.00 61.98 63.31 1okd s VAL 89 Cb 0.03 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1okd s VAL 89 CO -0.08 0.34 1.35 -2.16 0.00 0.00 0.00 175.10 174.55 1okd s PRO 90 N 0.13 3.38 0.55 2.72 0.04 -1.26 -4.82 135.00 135.73 1okd s PRO 90 Ca 0.38 2.21 0.37 0.00 0.04 0.00 0.00 61.00 64.00 1okd s PRO 90 Cb -0.20 -2.39 1.55 0.00 0.04 0.00 0.00 34.50 33.51 1okd s PRO 90 CO 0.21 -1.00 1.79 0.35 0.04 0.00 0.00 177.00 178.40 1okd h PHE 91 N 1.78 0.00 -0.91 0.56 3.57 -2.00 0.18 116.94 120.12 1okd h PHE 91 Ca -0.51 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.16 1okd h PHE 91 Cb 1.28 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.95 1okd h PHE 91 CO 0.48 0.00 0.59 0.00 -2.23 0.00 0.00 178.31 177.15 1okd h ALA 92 N 1.38 1.90 -0.52 2.41 0.00 -2.02 -0.71 119.26 121.70 1okd h ALA 92 Ca 0.57 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 55.27 1okd h ALA 92 Cb 2.30 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 19.85 1okd h ALA 92 CO -0.01 -0.17 0.13 1.04 0.00 0.00 0.00 179.25 180.24 1okd n GLN 93 N -4.58 2.26 0.24 0.00 1.13 0.63 -4.59 117.38 112.48 1okd n GLN 93 Ca 0.19 -3.09 0.09 0.00 -1.94 0.00 0.00 57.00 52.24 1okd n GLN 93 Cb 0.54 -1.94 0.62 0.00 0.11 0.00 0.00 30.24 29.57 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 1.27 0.00 -0.62 1.08 4.64 -1.09 -1.99 113.55 116.84 1okd h SER 94 Ca 0.29 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.78 1okd h SER 94 Cb 1.97 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.03 1okd h SER 94 CO 0.56 0.15 0.44 -0.08 -0.87 0.00 0.00 176.83 177.03 1okd h GLU 95 N 0.00 0.08 -0.22 4.77 4.57 -1.81 0.48 114.58 122.44 1okd h GLU 95 Ca -0.00 -0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.97 1okd h GLU 95 Cb 0.30 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1okd h GLU 95 CO 0.02 0.05 -0.65 0.00 -1.18 0.00 0.00 179.01 177.25 1okd h ALA 96 N 1.70 0.43 -0.61 2.92 0.00 -1.73 -3.14 119.26 118.82 1okd h ALA 96 Ca 0.30 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1okd h ALA 96 Cb 1.07 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1okd h ALA 96 CO -0.03 0.69 0.40 0.28 0.00 0.00 0.00 179.25 180.59 1okd h VAL 97 N 0.59 1.02 -0.17 0.00 2.07 -0.99 1.53 116.25 120.31 1okd h VAL 97 Ca -0.01 -0.21 -0.19 0.00 0.82 0.00 0.00 66.70 67.10 1okd h VAL 97 Cb 1.26 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1okd h VAL 97 CO 0.14 0.11 -0.66 0.06 0.02 0.00 0.00 177.57 177.24 1okd h GLN 98 N 0.62 0.74 0.14 1.57 3.07 -1.51 -3.20 115.11 116.55 1okd h GLN 98 Ca 0.26 -0.57 -0.30 0.00 0.09 0.00 0.00 58.65 58.13 1okd h GLN 98 Cb 0.23 0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1okd h GLN 98 CO -0.08 1.19 -1.42 0.87 0.09 0.00 0.00 178.83 179.49 1okd h LYS 99 N 0.46 0.30 -0.99 0.06 1.79 -1.37 -3.32 116.57 113.49 1okd h LYS 99 Ca -0.03 -0.51 0.19 0.00 -2.18 0.00 0.00 60.65 58.11 1okd h LYS 99 Cb 1.28 0.19 -0.10 0.00 -1.58 0.00 0.00 32.23 32.03 1okd h LYS 99 CO 0.14 1.21 0.61 1.25 -1.08 0.00 0.00 179.45 181.58 1okd h LEU 100 N 0.08 0.73 -0.17 2.94 5.85 0.21 -1.17 115.31 123.78 1okd h LEU 100 Ca -0.20 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1okd h LEU 100 Cb 2.02 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.97 1okd h LEU 100 CO 0.19 0.27 -0.01 0.77 -0.34 0.00 0.00 178.44 179.32 1okd h SER 101 N 0.72 -0.10 -0.17 1.25 4.64 -1.65 -0.50 113.55 117.73 1okd h SER 101 Ca 0.56 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.97 1okd h SER 101 Cb 0.93 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1okd h SER 101 CO -0.34 -0.03 0.13 0.50 -0.87 0.00 0.00 176.83 176.23 1okd h LYS 102 N 0.04 0.00 0.00 4.77 3.11 -1.38 0.17 116.57 123.28 1okd h LYS 102 Ca 0.08 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.75 1okd h LYS 102 Cb 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 1okd h LYS 102 CO -0.15 0.00 -0.80 0.45 -2.81 0.00 0.00 179.45 176.14 1okd h HIS 103 N 0.00 0.00 -0.71 1.91 3.86 -0.92 -3.21 115.15 116.09 1okd h HIS 103 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1okd h HIS 103 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1okd h HIS 103 CO 0.00 0.80 0.00 1.19 0.86 0.00 0.00 177.93 180.78 1okd n PHE 104 N -3.35 0.99 -3.24 2.45 3.72 -0.07 -5.00 117.46 112.96 1okd n PHE 104 Ca 0.00 -0.51 -0.13 0.00 -0.05 0.00 0.00 57.45 56.77 1okd n PHE 104 Cb 0.84 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 39.37 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 1.55 -6.87 -4.29 4.37 5.15 0.40 -4.96 115.26 110.61 1okd n ASN 105 Ca 0.24 -0.14 -0.41 0.00 -0.60 0.00 0.00 54.58 53.67 1okd n ASN 105 Cb 0.63 -4.02 -0.10 0.00 -0.53 0.00 0.00 39.78 35.76 1okd n ASN 105 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1okd s VAL 106 N -2.70 4.34 0.18 3.44 1.01 -0.92 -4.96 120.40 120.79 1okd s VAL 106 Ca 0.11 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 1okd s VAL 106 Cb -0.02 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.82 1okd s VAL 106 CO 0.81 -0.48 1.80 -0.08 0.00 0.00 0.00 175.10 177.14 1okd h GLU 107 N 8.44 0.55 -1.17 2.72 4.22 -1.92 -3.47 114.58 123.95 1okd h GLU 107 Ca -0.24 -0.03 0.21 0.00 0.08 0.00 0.00 59.36 59.38 1okd h GLU 107 Cb 1.09 -0.12 -0.26 0.00 0.50 0.00 0.00 28.75 29.95 1okd h GLU 107 CO 0.76 0.37 0.87 -1.54 -2.18 0.00 0.00 179.01 177.28 1okd s SER 108 N -5.55 -0.11 0.53 1.04 1.04 -1.26 -5.17 113.70 104.22 1okd s SER 108 Ca -0.13 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.28 1okd s SER 108 Cb 0.14 0.09 -0.06 0.00 0.10 0.00 0.00 66.02 66.28 1okd s SER 108 CO 0.74 -0.10 0.95 0.27 0.98 0.00 0.00 173.24 176.08 1okd s ILE 109 N -1.11 4.66 0.73 -1.02 -5.25 -1.26 -4.43 121.20 113.52 1okd s ILE 109 Ca 0.07 0.94 -0.11 0.00 -0.99 0.00 0.00 60.65 60.56 1okd s ILE 109 Cb -0.01 -3.78 0.03 0.00 2.95 0.00 0.00 42.46 41.65 1okd s ILE 109 CO -0.06 -0.82 1.08 -2.84 -1.79 0.00 0.00 174.94 170.52 1okd s PRO 110 N -4.44 2.63 0.34 0.37 0.02 -1.26 -4.96 135.00 127.71 1okd s PRO 110 Ca 0.56 0.64 -0.12 0.00 0.02 0.00 0.00 61.00 62.10 1okd s PRO 110 Cb -0.10 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.46 1okd s PRO 110 CO 0.39 -1.23 0.65 -0.08 -0.33 0.00 0.00 177.00 176.40 1okd s THR 111 N -3.21 0.00 -0.13 0.99 -1.32 -0.31 -4.99 115.64 106.67 1okd s THR 111 Ca 0.59 -1.23 -0.05 0.00 -1.21 0.00 0.00 61.69 59.79 1okd s THR 111 Cb -0.13 -2.60 0.06 0.00 -1.51 0.00 0.00 72.50 68.33 1okd s THR 111 CO 0.53 0.00 0.26 -0.22 -2.21 0.00 0.00 174.62 172.99 1okd s LEU 112 N -3.09 -0.26 -0.17 9.08 1.98 -1.26 -2.42 118.68 122.55 1okd s LEU 112 Ca 0.20 0.60 0.01 0.00 -2.89 0.00 0.00 54.13 52.04 1okd s LEU 112 Cb -0.03 0.71 0.02 0.00 0.66 0.00 0.00 46.19 47.56 1okd s LEU 112 CO 0.13 -0.23 -0.16 -0.63 -1.89 0.00 0.00 176.35 173.56 1okd s ILE 113 N 2.34 1.79 -0.09 6.68 -1.09 0.19 -1.54 121.20 129.47 1okd s ILE 113 Ca 0.00 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.50 1okd s ILE 113 Cb -0.12 -1.67 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 1okd s ILE 113 CO -0.09 0.46 0.27 -0.83 -1.23 0.00 0.00 174.94 173.53 1okd s GLY 114 N 1.39 2.28 0.09 6.18 0.00 -1.16 0.12 107.32 116.22 1okd s GLY 114 Ca 0.04 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.35 1okd s GLY 114 CO -0.11 0.05 -0.10 -1.34 0.00 0.00 0.00 173.10 171.60 1okd s VAL 115 N -0.57 0.91 -0.37 1.40 -7.23 0.23 -1.81 120.40 112.96 1okd s VAL 115 Ca 0.18 -1.63 -0.10 0.00 -1.81 0.00 0.00 61.98 58.62 1okd s VAL 115 Cb -0.14 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.49 1okd s VAL 115 CO 0.07 -0.57 0.19 1.51 -0.31 0.00 0.00 175.10 176.00 1okd s ASP 116 N -2.43 5.68 0.10 4.85 1.47 -1.13 -1.04 116.67 124.17 1okd s ASP 116 Ca 0.05 -1.00 -0.25 0.00 1.18 0.00 0.00 52.55 52.53 1okd s ASP 116 Cb -0.03 -2.00 -0.13 0.00 -0.34 0.00 0.00 42.92 40.42 1okd s ASP 116 CO -0.00 -0.37 1.70 0.00 0.68 0.00 0.00 175.17 177.17 1okd h ALA 117 N 8.41 -0.22 0.61 2.11 0.00 -1.85 0.91 119.26 129.22 1okd h ALA 117 Ca -0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1okd h ALA 117 Cb 1.10 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1okd h ALA 117 CO 0.66 -0.64 -0.35 -0.44 0.00 0.00 0.00 179.25 178.48 1okd h ASP 118 N -0.25 -0.86 -0.62 0.00 3.32 -1.90 0.67 116.42 116.77 1okd h ASP 118 Ca 0.00 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1okd h ASP 118 Cb 0.24 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1okd h ASP 118 CO -0.03 -0.55 0.39 0.28 -1.72 0.00 0.00 179.24 177.62 1okd h SER 119 N -0.88 0.65 0.00 6.45 0.02 -1.96 -3.45 113.55 114.38 1okd h SER 119 Ca -0.08 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1okd h SER 119 Cb 0.70 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1okd h SER 119 CO 0.10 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 1okd n GLY 120 N -1.27 2.81 3.22 -3.77 0.00 0.32 -4.94 105.19 101.55 1okd n GLY 120 Ca 0.06 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 2.13 -4.03 -4.84 1.61 9.92 -1.26 -4.53 116.55 115.55 1okd n ASP 121 Ca 0.00 -0.82 -0.32 0.00 -0.53 0.00 0.00 54.79 53.12 1okd n ASP 121 Cb 0.00 -1.01 -0.04 0.00 -0.64 0.00 0.00 41.12 39.44 1okd n ASP 121 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1okd s VAL 122 N -2.12 4.51 -0.14 2.53 1.01 -1.26 -2.84 120.40 122.08 1okd s VAL 122 Ca 0.66 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1okd s VAL 122 Cb -0.12 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 1okd s VAL 122 CO 0.56 -0.64 -0.09 0.52 0.00 0.00 0.00 175.10 175.44 1okd n VAL 123 N -1.48 0.86 -3.64 2.92 0.31 -0.75 -4.78 118.33 111.77 1okd n VAL 123 Ca 0.07 -0.38 -0.14 0.00 -0.01 0.00 0.00 64.34 63.87 1okd n VAL 123 Cb 0.54 -0.94 -0.07 0.00 -0.91 0.00 0.00 33.84 32.46 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 -2.30 0.04 -0.33 2.52 -1.32 -0.92 -4.03 115.64 109.30 1okd s THR 124 Ca -0.17 -0.31 0.13 0.00 -1.21 0.00 0.00 61.69 60.14 1okd s THR 124 Cb 0.05 -0.88 0.46 0.00 -1.51 0.00 0.00 72.50 70.62 1okd s THR 124 CO 0.39 -0.17 1.09 0.35 -2.21 0.00 0.00 174.62 174.06 1okd n THR 125 N 0.77 1.76 0.00 5.08 -2.24 -1.26 -2.98 114.28 115.41 1okd n THR 125 Ca -0.19 -3.76 0.00 0.00 -2.27 0.00 0.00 64.05 57.83 1okd n THR 125 Cb 0.58 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 -0.45 0.00 -0.82 -0.78 -4.01 -1.25 -5.02 116.66 104.32 1okd n ARG 126 Ca 0.24 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 57.03 1okd n ARG 126 Cb 0.81 0.00 0.28 0.00 -3.04 0.00 0.00 32.46 30.50 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 0.00 4.09 -0.02 2.89 0.00 -0.59 -4.22 120.51 122.66 1okd n ALA 127 Ca 0.00 -1.82 -0.19 0.00 0.00 0.00 0.00 53.44 51.43 1okd n ALA 127 Cb 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 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 2.51 0.16 0.14 0.00 -0.00 -1.91 -2.99 114.38 112.29 1okd h ARG 128 Ca 0.16 -0.27 -0.29 0.00 -0.00 0.00 0.00 59.98 59.59 1okd h ARG 128 Cb 1.98 0.10 0.01 0.00 -0.00 0.00 0.00 29.97 32.06 1okd h ARG 128 CO 0.56 1.13 -1.41 0.00 -0.00 0.00 0.00 179.97 180.25 1okd h ALA 129 N -0.04 0.11 -0.39 0.08 0.00 -1.97 -3.36 119.26 113.69 1okd h ALA 129 Ca -0.16 -1.03 -0.08 0.00 0.00 0.00 0.00 54.91 53.63 1okd h ALA 129 Cb 1.43 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1okd h ALA 129 CO 0.04 0.80 -0.08 1.79 0.00 0.00 0.00 179.25 181.80 1okd h THR 130 N -0.20 1.27 -0.93 0.00 1.35 -1.76 0.49 112.91 113.14 1okd h THR 130 Ca -0.29 -1.16 0.19 0.00 -0.55 0.00 0.00 66.41 64.61 1okd h THR 130 Cb 1.84 1.22 -0.08 0.00 -1.73 0.00 0.00 68.15 69.41 1okd h THR 130 CO 0.11 0.39 0.60 0.25 -0.25 0.00 0.00 175.52 176.62 1okd h LEU 131 N 0.56 0.54 0.00 3.87 6.46 -1.70 0.56 115.31 125.60 1okd h LEU 131 Ca 0.10 0.06 -0.22 0.00 -0.12 0.00 0.00 57.88 57.69 1okd h LEU 131 Cb 0.59 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1okd h LEU 131 CO 0.04 0.22 -1.22 1.62 -0.62 0.00 0.00 178.44 178.47 1okd h VAL 132 N 0.54 0.95 -0.11 1.05 3.04 -1.66 -3.38 116.25 116.68 1okd h VAL 132 Ca 0.50 -2.19 0.00 0.00 -1.01 0.00 0.00 66.70 63.99 1okd h VAL 132 Cb 1.04 2.29 0.00 0.00 -2.01 0.00 0.00 31.29 32.61 1okd h VAL 132 CO -0.23 0.34 0.00 0.29 -1.01 0.00 0.00 177.57 176.96 1okd n LYS 133 N -4.41 1.74 -3.43 4.17 4.76 0.17 -4.39 118.16 116.77 1okd n LYS 133 Ca -0.31 -0.61 -0.27 0.00 -2.87 0.00 0.00 58.31 54.25 1okd n LYS 133 Cb 0.68 -1.62 -0.08 0.00 -1.84 0.00 0.00 35.03 32.17 1okd n LYS 133 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1okd n ASP 134 N 0.11 3.06 -0.52 4.39 -0.08 0.19 -4.89 116.55 118.82 1okd n ASP 134 Ca 0.05 -3.29 0.03 0.00 -1.51 0.00 0.00 54.79 50.08 1okd n ASP 134 Cb 0.42 -0.67 0.10 0.00 2.34 0.00 0.00 41.12 43.30 1okd n ASP 134 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1okd n PRO 135 N 1.08 1.65 -0.05 -0.67 -0.04 -1.26 -3.50 135.00 132.21 1okd n PRO 135 Ca 0.28 -0.77 0.01 0.00 -0.04 0.00 0.00 63.50 62.98 1okd n PRO 135 Cb 0.42 -1.32 -0.17 0.00 -0.04 0.00 0.00 33.50 32.40 1okd n PRO 135 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1okd n GLU 136 N 0.12 0.67 -1.95 0.54 0.28 -1.26 -4.97 120.64 114.08 1okd n GLU 136 Ca 0.07 -0.11 -0.15 0.00 -0.16 0.00 0.00 57.16 56.81 1okd n GLU 136 Cb 0.27 -1.52 -0.03 0.00 1.43 0.00 0.00 31.44 31.59 1okd n GLU 136 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1okd n GLY 137 N 1.48 0.40 0.08 -1.84 0.00 -1.23 -4.81 105.19 99.28 1okd n GLY 137 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1okd n GLY 137 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1okd h GLU 138 N 0.00 0.00 -0.08 1.61 5.08 -1.93 -3.36 114.58 115.90 1okd h GLU 138 Ca -0.32 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.92 1okd h GLU 138 Cb 1.11 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.17 1okd h GLU 138 CO 0.42 0.70 -0.75 1.04 -1.00 0.00 0.00 179.01 179.43 1okd n GLN 139 N -3.19 1.19 -0.22 2.33 6.02 -1.26 -4.93 117.38 117.32 1okd n GLN 139 Ca -0.06 -2.92 0.10 0.00 -0.01 0.00 0.00 57.00 54.10 1okd n GLN 139 Cb 0.94 -1.10 0.19 0.00 1.02 0.00 0.00 30.24 31.30 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 -0.49 0.41 0.10 1.08 -1.74 -1.26 0.35 117.46 115.91 1okd n PHE 140 Ca 0.16 0.75 0.01 0.00 -0.56 0.00 0.00 57.45 57.80 1okd n PHE 140 Cb 0.88 -0.98 0.03 0.00 1.52 0.00 0.00 39.48 40.94 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 -4.79 0.05 -0.75 3.97 -0.04 -1.26 -4.79 135.00 127.39 1okd n PRO 141 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1okd n PRO 141 Cb 0.49 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.85 0.00 -2.37 0.54 8.01 1.09 -4.18 117.44 119.68 1okd n TRP 142 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 1okd n TRP 142 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 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 -0.17 1.07 0.00 -0.99 2.85 -1.26 -4.52 118.16 115.14 1okd n LYS 143 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1okd n LYS 143 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1okd n LYS 143 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1okd n ASP 144 N -2.49 -1.55 -2.82 -5.58 9.92 -1.26 -4.95 116.55 107.82 1okd n ASP 144 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 1okd n ASP 144 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1okd n ASP 144 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1okd n ALA 145 N -2.54 4.96 -1.77 2.24 0.00 -1.26 -4.99 120.51 117.15 1okd n ALA 145 Ca 0.00 -4.56 -0.35 0.00 0.00 0.00 0.00 53.44 48.54 1okd n ALA 145 Cb 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.33 1.70 0.00 0.00 -0.04 -1.26 -4.84 135.00 130.23 1okd n PRO 146 Ca 0.35 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1okd n PRO 146 Cb 0.47 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 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 11.36 0.00 -2.71 1.53 -0.00 -1.26 -4.83 117.00 121.10 1okd n LEU 147 Ca 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.47 1okd n LEU 147 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.85 1okd n LEU 147 CO 0.82 0.00 -0.54 1.21 -0.00 0.00 0.00 177.39 178.88 1okd n GLU 148 N 0.00 -3.72 0.00 1.47 4.07 -1.26 -5.25 120.64 115.95 1okd n GLU 148 Ca 0.00 2.93 0.00 0.00 -0.06 0.00 0.00 57.16 60.03 1okd n GLU 148 Cb 0.00 -5.22 0.00 0.00 -0.06 0.00 0.00 31.44 26.16 1okd n GLU 148 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79